smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCNc2nc(N3CCc4cc(OC)c(OC)cc4C3)c3cc(N(C)C)ccc3[nH+]2)cc1OC ZINC000001485404 561675985 /nfs/dbraw/zinc/67/59/85/561675985.db2.gz SORIMYYQBCNPPI-UHFFFAOYSA-N 1 1 543.668 4.948 1 0 KJAFMO C[N@H+]1CC[C@H](Oc2ccc(CN3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000001494176 561676527 /nfs/dbraw/zinc/67/65/27/561676527.db2.gz XESAEBNNDALGPZ-MSOLQXFVSA-N 1 1 527.290 4.843 1 0 KJAFMO C[N@@H+]1CC[C@H](Oc2ccc(CN3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000001494176 561676525 /nfs/dbraw/zinc/67/65/25/561676525.db2.gz XESAEBNNDALGPZ-MSOLQXFVSA-N 1 1 527.290 4.843 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000001494287 561676480 /nfs/dbraw/zinc/67/64/80/561676480.db2.gz SGHBDLOMRUXKQF-IZZNHLLZSA-N 1 1 516.638 4.667 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000001494287 561676478 /nfs/dbraw/zinc/67/64/78/561676478.db2.gz SGHBDLOMRUXKQF-IZZNHLLZSA-N 1 1 516.638 4.667 1 0 KJAFMO C[NH+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001537623 561676935 /nfs/dbraw/zinc/67/69/35/561676935.db2.gz RLEVBHOVASXXPT-NRFANRHFSA-N 1 1 513.482 4.996 1 0 KJAFMO CCOC(=O)c1c(Cn2cc[nH+]c2CC)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000001539485 561677029 /nfs/dbraw/zinc/67/70/29/561677029.db2.gz KDWSMGQGSSAICO-UHFFFAOYSA-N 1 1 505.571 4.920 1 0 KJAFMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C[N@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001540656 561676995 /nfs/dbraw/zinc/67/69/95/561676995.db2.gz KYKGECIXEATTSM-MHZLTWQESA-N 1 1 509.672 4.829 1 0 KJAFMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000001540657 561677035 /nfs/dbraw/zinc/67/70/35/561677035.db2.gz KYKGECIXEATTSM-HHHXNRCGSA-N 1 1 509.672 4.829 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)cc1OC ZINC000001543304 561677184 /nfs/dbraw/zinc/67/71/84/561677184.db2.gz DNJKQYXTRBILHI-JOCHJYFZSA-N 1 1 546.624 4.610 1 0 KJAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2cc3c(cn2)ncnc3Nc2ccc(OCc3ccccc3)cc2)o1 ZINC000001902515 561680085 /nfs/dbraw/zinc/68/00/85/561680085.db2.gz LOOADDNERSICKU-UHFFFAOYSA-N 1 1 529.622 4.742 1 0 KJAFMO CN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000003932841 561687929 /nfs/dbraw/zinc/68/79/29/561687929.db2.gz UXLAXLSTSAUHPI-DHGWECEMSA-N 1 1 554.609 4.516 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1 ZINC000003938825 561689007 /nfs/dbraw/zinc/68/90/07/561689007.db2.gz SJSSSYBVJSMWNW-UOJUTNHLSA-N 1 1 571.809 4.545 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)cc1OC ZINC000003939114 561688986 /nfs/dbraw/zinc/68/89/86/561688986.db2.gz DNJKQYXTRBILHI-QFIPXVFZSA-N 1 1 546.624 4.610 1 0 KJAFMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([nH]c6ccccc6c5=O)[C@@H]4c4ccc5c(c4)OCO5)o3)cc2)CC1 ZINC000003948273 561690095 /nfs/dbraw/zinc/69/00/95/561690095.db2.gz AJYIVTCFWPXQER-YTTGMZPUSA-N 1 1 602.647 4.650 1 0 KJAFMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([nH]c6ccccc6c5=O)[C@H]4c4ccc5c(c4)OCO5)o3)cc2)CC1 ZINC000003948276 561690131 /nfs/dbraw/zinc/69/01/31/561690131.db2.gz AJYIVTCFWPXQER-JGCGQSQUSA-N 1 1 602.647 4.650 1 0 KJAFMO O=C1c2cccc3c4occc4cc(c32)C(=O)N1CCNCCC[NH2+]CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O ZINC000003948704 561690102 /nfs/dbraw/zinc/69/01/02/561690102.db2.gz ICOQVXDCQYIEGP-UHFFFAOYSA-N 1 1 600.631 4.947 1 0 KJAFMO CCC[N@H+]1CC[C@H](c2n[nH]c(=S)[nH]2)[C@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1 ZINC000003948921 561690286 /nfs/dbraw/zinc/69/02/86/561690286.db2.gz HUKXOIMLTBNTPV-UKILVPOCSA-N 1 1 516.671 4.901 1 0 KJAFMO COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 ZINC000003955065 561690773 /nfs/dbraw/zinc/69/07/73/561690773.db2.gz RDSAUPRYZCQORM-BJTUFNSYSA-N 1 1 526.672 4.634 1 0 in-vitro KJAFMO C[N@H+]1CC[C@@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000003964102 561691269 /nfs/dbraw/zinc/69/12/69/561691269.db2.gz XESAEBNNDALGPZ-ZWKOTPCHSA-N 1 1 527.290 4.843 1 0 KJAFMO C[N@@H+]1CC[C@@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000003964102 561691268 /nfs/dbraw/zinc/69/12/68/561691268.db2.gz XESAEBNNDALGPZ-ZWKOTPCHSA-N 1 1 527.290 4.843 1 0 KJAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000003964107 561691251 /nfs/dbraw/zinc/69/12/51/561691251.db2.gz HLMWNBIZKQIDFC-BDYUSTAISA-N 1 1 550.769 4.767 1 0 in-vivo KJAFMO COc1ccc2c(c1)C[C@H](C[NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000003966195 561691728 /nfs/dbraw/zinc/69/17/28/561691728.db2.gz ITJLZSOZZWEOJL-RUZDIDTESA-N 1 1 535.754 4.624 1 0 in-vivo KJAFMO CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@H+]2CCCO)cc(C(C)=O)c1 ZINC000003976519 561691963 /nfs/dbraw/zinc/69/19/63/561691963.db2.gz ZSHFBVRJUAGORQ-FIPFOOKPSA-N 1 1 511.638 4.838 1 0 KJAFMO O=C(Oc1ccccc1)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000003985865 561692778 /nfs/dbraw/zinc/69/27/78/561692778.db2.gz IYCNMHGBFABRBR-UHFFFAOYSA-N 1 1 564.660 4.755 1 0 KJAFMO Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000003986204 561692902 /nfs/dbraw/zinc/69/29/02/561692902.db2.gz KPYWDUUGBKKBQA-JIWYJQEDSA-N 1 1 593.712 4.696 1 0 KJAFMO O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000004394091 561694855 /nfs/dbraw/zinc/69/48/55/561694855.db2.gz YGBQCFLXRKHUQM-RSEQLOHWSA-N 1 1 518.585 4.960 1 0 KJAFMO O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000004394093 561694921 /nfs/dbraw/zinc/69/49/21/561694921.db2.gz YGBQCFLXRKHUQM-PWWKTKHKSA-N 1 1 518.585 4.960 1 0 KJAFMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[N@H+]3CCc4ccccc4C3)cnn2-c2ccc(F)cc2)CC1 ZINC000008597274 561706170 /nfs/dbraw/zinc/70/61/70/561706170.db2.gz CUHVPOBEYLJGHJ-UHFFFAOYSA-N 1 1 547.675 4.914 1 0 KJAFMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cnn2-c2ccc(F)cc2)CC1 ZINC000008597274 561706168 /nfs/dbraw/zinc/70/61/68/561706168.db2.gz CUHVPOBEYLJGHJ-UHFFFAOYSA-N 1 1 547.675 4.914 1 0 KJAFMO CCN(CC)c1ccc(-c2nc3ccccc3c(=O)n2CC[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000013438279 561712110 /nfs/dbraw/zinc/71/21/10/561712110.db2.gz UEKORVCUZHVIDZ-UHFFFAOYSA-N 1 1 512.654 4.985 1 0 KJAFMO CCN(CC)c1ccc(-c2nc3ccccc3c(=O)n2CC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000013438279 561712108 /nfs/dbraw/zinc/71/21/08/561712108.db2.gz UEKORVCUZHVIDZ-UHFFFAOYSA-N 1 1 512.654 4.985 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1c(=O)c3c(Cl)cccc3nc1-c1ccc(N(C)C)cc1)CC2 ZINC000013438299 561712043 /nfs/dbraw/zinc/71/20/43/561712043.db2.gz KEJYYPIWXMGUOU-UHFFFAOYSA-N 1 1 519.045 4.858 1 0 KJAFMO COc1cc2c(cc1OC)C[N@H+](CCn1c(=O)c3c(Cl)cccc3nc1-c1ccc(N(C)C)cc1)CC2 ZINC000013438299 561712041 /nfs/dbraw/zinc/71/20/41/561712041.db2.gz KEJYYPIWXMGUOU-UHFFFAOYSA-N 1 1 519.045 4.858 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1c(=O)c3cc(Cl)ccc3nc1-c1ccc(N(C)C)cc1)CC2 ZINC000013438302 561712049 /nfs/dbraw/zinc/71/20/49/561712049.db2.gz RHHCJOJPWGOQQN-UHFFFAOYSA-N 1 1 519.045 4.858 1 0 KJAFMO COc1cc2c(cc1OC)C[N@H+](CCn1c(=O)c3cc(Cl)ccc3nc1-c1ccc(N(C)C)cc1)CC2 ZINC000013438302 561712048 /nfs/dbraw/zinc/71/20/48/561712048.db2.gz RHHCJOJPWGOQQN-UHFFFAOYSA-N 1 1 519.045 4.858 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1c(=O)c3ccc(Cl)cc3nc1-c1ccc(N(C)C)cc1)CC2 ZINC000013438307 561712121 /nfs/dbraw/zinc/71/21/21/561712121.db2.gz DBFQXNNNIXMVKG-UHFFFAOYSA-N 1 1 519.045 4.858 1 0 KJAFMO COc1cc2c(cc1OC)C[N@H+](CCn1c(=O)c3ccc(Cl)cc3nc1-c1ccc(N(C)C)cc1)CC2 ZINC000013438307 561712119 /nfs/dbraw/zinc/71/21/19/561712119.db2.gz DBFQXNNNIXMVKG-UHFFFAOYSA-N 1 1 519.045 4.858 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1c(=O)c3cccc(Cl)c3nc1-c1ccc(N(C)C)cc1)CC2 ZINC000013438310 561712031 /nfs/dbraw/zinc/71/20/31/561712031.db2.gz WZJWHWWXGMIEGQ-UHFFFAOYSA-N 1 1 519.045 4.858 1 0 KJAFMO COc1cc2c(cc1OC)C[N@H+](CCn1c(=O)c3cccc(Cl)c3nc1-c1ccc(N(C)C)cc1)CC2 ZINC000013438310 561712030 /nfs/dbraw/zinc/71/20/30/561712030.db2.gz WZJWHWWXGMIEGQ-UHFFFAOYSA-N 1 1 519.045 4.858 1 0 KJAFMO O=C(NCCCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438594 561712267 /nfs/dbraw/zinc/71/22/67/561712267.db2.gz HYAIONDADCANQM-JGCGQSQUSA-N 1 1 540.752 4.974 1 0 KJAFMO O=C(NCCCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438599 561712247 /nfs/dbraw/zinc/71/22/47/561712247.db2.gz HYAIONDADCANQM-YTTGMZPUSA-N 1 1 540.752 4.974 1 0 KJAFMO Cc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439467 561712326 /nfs/dbraw/zinc/71/23/26/561712326.db2.gz FYSXLFCIJKLFFD-MUUNZHRXSA-N 1 1 505.728 4.676 1 0 KJAFMO Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439470 561712383 /nfs/dbraw/zinc/71/23/83/561712383.db2.gz FYSXLFCIJKLFFD-NDEPHWFRSA-N 1 1 505.728 4.676 1 0 KJAFMO COc1ccc2c(c1)C[C@@H](C[NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439499 561712372 /nfs/dbraw/zinc/71/23/72/561712372.db2.gz ITJLZSOZZWEOJL-VWLOTQADSA-N 1 1 535.754 4.624 1 0 in-vivo KJAFMO O=C1CN2CCc3c[nH+]cn3Cc3ccc(Br)c(c3)Oc3ccc4cccc(c4c3)N1CC2 ZINC000013440909 561712635 /nfs/dbraw/zinc/71/26/35/561712635.db2.gz HCTZGNQLYBGGPK-UHFFFAOYSA-N 1 1 503.400 4.844 1 0 KJAFMO O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000013489675 561715885 /nfs/dbraw/zinc/71/58/85/561715885.db2.gz WAGLEYZONOCKDK-IZLXSDGUSA-N 1 1 513.711 4.774 1 0 KJAFMO O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCC[N@H+]1Cc1ccsc1)Nc1ccccc1 ZINC000013489683 561715988 /nfs/dbraw/zinc/71/59/88/561715988.db2.gz RDWLSMJKDZGGQQ-FTJBHMTQSA-N 1 1 519.740 4.836 1 0 KJAFMO CC(c1ccc(S(=O)(=O)C(C)C)cc1)=C1CC[NH+](C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1 ZINC000013492458 561716248 /nfs/dbraw/zinc/71/62/48/561716248.db2.gz NCPWGVWKXROIEG-UHFFFAOYSA-N 1 1 509.716 4.933 1 0 KJAFMO Cc1[nH]c(=O)c2c3c(ccc2c1CC(=O)N1CC[NH+](C)CC1)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494046 561716745 /nfs/dbraw/zinc/71/67/45/561716745.db2.gz SWMSQLFGVFMRIQ-UHFFFAOYSA-N 1 1 513.429 4.502 1 0 KJAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(NC(=O)CCc1ccccc1)Cc1c2ccccc2[nH]c1[C@@H]3O5 ZINC000013517836 561716803 /nfs/dbraw/zinc/71/68/03/561716803.db2.gz ZKVYRXMIRABJJO-DZVDWBIPSA-N 1 1 505.618 4.549 1 0 KJAFMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000013518648 561716953 /nfs/dbraw/zinc/71/69/53/561716953.db2.gz WHXXGGSFZXTUQR-WJOKGBTCSA-N 1 1 522.693 4.509 1 0 KJAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[N@@H+](C)Cc3ccccc3)c2=O)c1 ZINC000013553284 561718264 /nfs/dbraw/zinc/71/82/64/561718264.db2.gz IPCZJLSGFREFJV-HXUWFJFHSA-N 1 1 519.592 4.841 1 0 KJAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[N@@H+](C)Cc3ccccc3)c2=O)c1 ZINC000013553285 561718283 /nfs/dbraw/zinc/71/82/83/561718283.db2.gz IPCZJLSGFREFJV-FQEVSTJZSA-N 1 1 519.592 4.841 1 0 KJAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2=O)c1 ZINC000013553308 561718462 /nfs/dbraw/zinc/71/84/62/561718462.db2.gz HXIPSJVVGOYXPH-HSZRJFAPSA-N 1 1 517.576 4.768 1 0 KJAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H]3CC[N@@H+](Cc4ccccc4)C3)c2=O)c1 ZINC000013553309 561718440 /nfs/dbraw/zinc/71/84/40/561718440.db2.gz HXIPSJVVGOYXPH-QHCPKHFHSA-N 1 1 517.576 4.768 1 0 KJAFMO Cc1c(-c2cccc(Cl)c2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559585 561719479 /nfs/dbraw/zinc/71/94/79/561719479.db2.gz YGUJDFKDMMOLLH-UHFFFAOYSA-N 1 1 524.999 4.535 1 0 KJAFMO C=Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000013559588 561719505 /nfs/dbraw/zinc/71/95/05/561719505.db2.gz UGLFKYQXIPZTIE-UHFFFAOYSA-N 1 1 516.592 4.524 1 0 KJAFMO Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)CCCC5)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013586584 561720518 /nfs/dbraw/zinc/72/05/18/561720518.db2.gz ZCJXLAJPRZNEBL-OUDZLNJNSA-N 1 1 508.662 4.820 1 0 KJAFMO COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CC[NH+](Cc2cncn2Cc2ccc(C)cc2)CC1 ZINC000013586736 561720542 /nfs/dbraw/zinc/72/05/42/561720542.db2.gz TZAQVDLADJZKRJ-NDEPHWFRSA-N 1 1 534.726 4.641 1 0 KJAFMO Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000013613361 561722079 /nfs/dbraw/zinc/72/20/79/561722079.db2.gz QLTHBTHVYYXPHB-VMODYCNZSA-N 1 1 505.642 4.745 1 0 KJAFMO Cn1nnnc1-c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613365 561722190 /nfs/dbraw/zinc/72/21/90/561722190.db2.gz UNTXMOHFIXMRMR-WRALFONMSA-N 1 1 505.642 4.651 1 0 KJAFMO Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000013613369 561722117 /nfs/dbraw/zinc/72/21/17/561722117.db2.gz HEXTXRMVMKIBQR-RZPFDVGOSA-N 1 1 505.642 4.651 1 0 KJAFMO Cn1nnnc1-c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000013613372 561722134 /nfs/dbraw/zinc/72/21/34/561722134.db2.gz LWUHFNIVZIRWQA-RZPFDVGOSA-N 1 1 505.642 4.651 1 0 KJAFMO COc1ccc(C(=O)NCC2CCN(C3CC[NH2+]CC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643465 561722404 /nfs/dbraw/zinc/72/24/04/561722404.db2.gz WVPKJUIQXLMIID-UHFFFAOYSA-N 1 1 520.501 4.817 1 0 KJAFMO CCc1cc(Nc2cc(=O)n(CCCCC[N@H+]3CCc4c5cc(OC)ccc5[nH]c4C3)c(=O)[nH]2)ccc1C ZINC000013674986 561724064 /nfs/dbraw/zinc/72/40/64/561724064.db2.gz GCDXLKPFAHFJDE-UHFFFAOYSA-N 1 1 515.658 4.870 1 0 KJAFMO CCc1cc(Nc2cc(=O)n(CCCCC[N@@H+]3CCc4c5cc(OC)ccc5[nH]c4C3)c(=O)[nH]2)ccc1C ZINC000013674986 561724063 /nfs/dbraw/zinc/72/40/63/561724063.db2.gz GCDXLKPFAHFJDE-UHFFFAOYSA-N 1 1 515.658 4.870 1 0 KJAFMO COc1cc(/C=C/C(=O)OCC[N@@H+](C)CCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000013676194 561724088 /nfs/dbraw/zinc/72/40/88/561724088.db2.gz AXBIXFGNNOXFDZ-BUHFOSPRSA-N 1 1 531.605 4.556 1 0 KJAFMO CC[N@H+](Cc1ccccc1OC)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000013746518 561726756 /nfs/dbraw/zinc/72/67/56/561726756.db2.gz YSNJFMSCCAMDGK-MUUNZHRXSA-N 1 1 539.724 4.548 1 0 KJAFMO CC[N@H+](Cc1ccccc1OC)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000013746521 561726722 /nfs/dbraw/zinc/72/67/22/561726722.db2.gz YSNJFMSCCAMDGK-NDEPHWFRSA-N 1 1 539.724 4.548 1 0 KJAFMO CCc1cc(Cl)c(O)c(C(=O)NCCCC[NH+]2CCN(c3nsc4ccccc43)CC2)c1OC ZINC000013747199 561727045 /nfs/dbraw/zinc/72/70/45/561727045.db2.gz VYPOWWQQBJXOGV-UHFFFAOYSA-N 1 1 503.068 4.559 1 0 KJAFMO c1cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)nc3n2c1 ZINC000013762462 561728158 /nfs/dbraw/zinc/72/81/58/561728158.db2.gz DEMZYMHKNNMIGU-UHFFFAOYSA-N 1 1 517.681 4.527 1 0 KJAFMO c1cc2c(N3CC[NH+](Cc4ccccc4)CC3)nc3ccc(N4CCN(Cc5ccccc5)CC4)nc3n2c1 ZINC000013762462 561728156 /nfs/dbraw/zinc/72/81/56/561728156.db2.gz DEMZYMHKNNMIGU-UHFFFAOYSA-N 1 1 517.681 4.527 1 0 KJAFMO C[N@H+]1CCC[C@@H](CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000013778970 561728737 /nfs/dbraw/zinc/72/87/37/561728737.db2.gz PUHMESLJVPPQNX-HFJWLAOPSA-N 1 1 531.926 4.562 1 0 KJAFMO C[N@H+]1CCC[C@H](CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000013778971 561728801 /nfs/dbraw/zinc/72/88/01/561728801.db2.gz PUHMESLJVPPQNX-WXTAPIANSA-N 1 1 531.926 4.562 1 0 KJAFMO COc1ccc(CC[N@@H+](CCC[C@@H]2Oc3cc4c(cc3NC2=O)OCCO4)Cc2ccccc2)cc1OC ZINC000013780774 561729160 /nfs/dbraw/zinc/72/91/60/561729160.db2.gz HYRZNRFNXDTQQT-VWLOTQADSA-N 1 1 518.610 4.700 1 0 KJAFMO COc1ccc(CC[N@@H+](CCC[C@H]2Oc3cc4c(cc3NC2=O)OCCO4)Cc2ccccc2)cc1OC ZINC000013780775 561729184 /nfs/dbraw/zinc/72/91/84/561729184.db2.gz HYRZNRFNXDTQQT-RUZDIDTESA-N 1 1 518.610 4.700 1 0 KJAFMO COc1ccccc1N1CC[NH+](C/C=C\CN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000013782639 561729898 /nfs/dbraw/zinc/72/98/98/561729898.db2.gz UTKABUUGVVEZMS-KHPPLWFESA-N 1 1 507.634 4.634 1 0 KJAFMO COc1ccccc1N1CC[NH+](C/C=C/CN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000013782640 561729853 /nfs/dbraw/zinc/72/98/53/561729853.db2.gz UTKABUUGVVEZMS-ZHACJKMWSA-N 1 1 507.634 4.634 1 0 KJAFMO Cc1cc([C@H]2SCC(=O)N2CCC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000013799721 561730435 /nfs/dbraw/zinc/73/04/35/561730435.db2.gz QBWGTTJGMDRQGX-AREMUKBSSA-N 1 1 500.661 4.702 1 0 KJAFMO Cc1cc([C@@H]2SCC(=O)N2CCC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000013799725 561730423 /nfs/dbraw/zinc/73/04/23/561730423.db2.gz QBWGTTJGMDRQGX-SANMLTNESA-N 1 1 500.661 4.702 1 0 KJAFMO COc1cc(I)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1OC ZINC000013862888 561734846 /nfs/dbraw/zinc/73/48/46/561734846.db2.gz RLMCMXONOFRGMR-IHWFROFDSA-N 1 1 520.411 4.624 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000013919058 561735750 /nfs/dbraw/zinc/73/57/50/561735750.db2.gz SGHBDLOMRUXKQF-CLJLJLNGSA-N 1 1 516.638 4.667 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000013919058 561735748 /nfs/dbraw/zinc/73/57/48/561735748.db2.gz SGHBDLOMRUXKQF-CLJLJLNGSA-N 1 1 516.638 4.667 1 0 KJAFMO COc1ccc([C@@H]2Sc3ccccc3N(CC[N@@H+](C)CCc3ccc(OC)c(OC)c3)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000014087481 561736196 /nfs/dbraw/zinc/73/61/96/561736196.db2.gz BTSZXDXHHITHKY-IHLOFXLRSA-N 1 1 564.704 4.999 1 0 KJAFMO C[N@H+]1CC[C@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000014140581 561737120 /nfs/dbraw/zinc/73/71/20/561737120.db2.gz XESAEBNNDALGPZ-ROUUACIJSA-N 1 1 527.290 4.843 1 0 KJAFMO C[N@@H+]1CC[C@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000014140581 561737119 /nfs/dbraw/zinc/73/71/19/561737119.db2.gz XESAEBNNDALGPZ-ROUUACIJSA-N 1 1 527.290 4.843 1 0 KJAFMO Nc1[nH+]ccc2ccc(OC[C@@H](Cc3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc21 ZINC000014166324 561737166 /nfs/dbraw/zinc/73/71/66/561737166.db2.gz GTWGEIYIYPPASC-RUZDIDTESA-N 1 1 564.667 4.778 1 0 KJAFMO Nc1[nH+]ccc2ccc(OC[C@@H](c3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc21 ZINC000014166328 561737215 /nfs/dbraw/zinc/73/72/15/561737215.db2.gz RIDYAKQYDYAPSO-NDEPHWFRSA-N 1 1 550.640 4.908 1 0 KJAFMO CC(C)N(C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O ZINC000014191826 561737530 /nfs/dbraw/zinc/73/75/30/561737530.db2.gz VJHTXZAEBALHDW-GKRYNVPLSA-N 1 1 596.829 4.542 1 0 KJAFMO C[N@H+]1C[C@H]2CC[C@@H]1[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 ZINC000014209775 561737779 /nfs/dbraw/zinc/73/77/79/561737779.db2.gz ARFBDECCXOFCBN-HOLBEBDISA-N 1 1 582.805 4.687 1 0 in-vitro KJAFMO Cc1ccccc1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943141 561740914 /nfs/dbraw/zinc/74/09/14/561740914.db2.gz CFKNTKGMEUMOTC-OKDNLZPVSA-N 1 1 602.776 4.553 1 0 KJAFMO Cc1cccc(C)c1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943144 561740924 /nfs/dbraw/zinc/74/09/24/561740924.db2.gz PCEGWKGFACRWOO-NWAHQLIBSA-N 1 1 616.803 4.861 1 0 KJAFMO Cc1cccc(C)c1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943145 561741015 /nfs/dbraw/zinc/74/10/15/561741015.db2.gz SNOCIZXDQHKVNO-SBLQOOQRSA-N 1 1 614.831 4.684 1 0 KJAFMO Cc1cccc(C)c1O[C@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943147 561741021 /nfs/dbraw/zinc/74/10/21/561741021.db2.gz CMBBYMMNBCVVGO-OSLHAYNWSA-N 1 1 630.830 4.519 1 0 KJAFMO Cc1cccc(C)c1O[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943148 561741069 /nfs/dbraw/zinc/74/10/69/561741069.db2.gz CMBBYMMNBCVVGO-BOYVGMIQSA-N 1 1 630.830 4.519 1 0 KJAFMO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](SCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943151 561741060 /nfs/dbraw/zinc/74/10/60/561741060.db2.gz FIWNNAIJMGZTNA-OKDNLZPVSA-N 1 1 632.871 4.847 1 0 KJAFMO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](SCc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943152 561741066 /nfs/dbraw/zinc/74/10/66/561741066.db2.gz HQARCNFWJWVJSV-OKDNLZPVSA-N 1 1 632.871 4.847 1 0 KJAFMO CCN(c1ncccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000014943755 561741994 /nfs/dbraw/zinc/74/19/94/561741994.db2.gz RYVGFQYOLRHQKG-UHFFFAOYSA-N 1 1 560.747 4.684 1 0 KJAFMO CCCN(c1ncccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000014943760 561742004 /nfs/dbraw/zinc/74/20/04/561742004.db2.gz LUFPANDAJTYMAK-UHFFFAOYSA-N 1 1 560.747 4.684 1 0 KJAFMO CCN(c1nc(F)ccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000014943764 561741984 /nfs/dbraw/zinc/74/19/84/561741984.db2.gz ICKUJJYNBDMZDM-UHFFFAOYSA-N 1 1 578.737 4.823 1 0 KJAFMO CN(c1ccc(NC(=[NH2+])Nc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1 ZINC000014945129 561742802 /nfs/dbraw/zinc/74/28/02/561742802.db2.gz WTTQMMJLQSHYGL-UHFFFAOYSA-N 1 1 501.616 4.991 1 0 KJAFMO CN(c1ccc(NC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000014945171 561742818 /nfs/dbraw/zinc/74/28/18/561742818.db2.gz AHDFVTJYNGXCEO-UHFFFAOYSA-N 1 1 628.759 4.564 1 0 KJAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1cnc(NC(=O)c2ccc(C)c(Br)c2)nc1 ZINC000014949906 561745339 /nfs/dbraw/zinc/74/53/39/561745339.db2.gz QMPOGHCAFNBWOI-UHFFFAOYSA-N 1 1 608.497 4.596 1 0 KJAFMO Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(-n2cc[nH+]c2C)c1 ZINC000014950383 561745490 /nfs/dbraw/zinc/74/54/90/561745490.db2.gz GIZJTKMNZOZPFC-UHFFFAOYSA-N 1 1 547.501 4.855 1 0 KJAFMO Cc1nccn1-c1cc(-n2cc[nH+]c2C)ccc1NC(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1 ZINC000014950383 561745488 /nfs/dbraw/zinc/74/54/88/561745488.db2.gz GIZJTKMNZOZPFC-UHFFFAOYSA-N 1 1 547.501 4.855 1 0 KJAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4C[NH+]4CCCC4)cc3F)cc12 ZINC000014950386 561745517 /nfs/dbraw/zinc/74/55/17/561745517.db2.gz GONSXYIFCYXXJP-UHFFFAOYSA-N 1 1 554.508 4.787 1 0 KJAFMO Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000014951281 561746005 /nfs/dbraw/zinc/74/60/05/561746005.db2.gz XDCVKLLWXSIRHC-JOCHJYFZSA-N 1 1 601.589 4.856 1 0 KJAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[N@H+]5CC[C@@H](O)C5)cc3)CN4)cc12 ZINC000014951288 561745981 /nfs/dbraw/zinc/74/59/81/561745981.db2.gz KWXHTGARBNTADQ-OAQYLSRUSA-N 1 1 589.578 4.878 1 0 KJAFMO CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)c(OCC[NH+](C)C)c4)nc3c2)ccn1 ZINC000014965242 561749429 /nfs/dbraw/zinc/74/94/29/561749429.db2.gz ZKSUUBLMUIKQJD-UHFFFAOYSA-N 1 1 514.508 4.813 1 0 KJAFMO COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CC[NH+]2CCOCC2)CN2CCc3cc(F)ccc32)c1 ZINC000014971543 561751192 /nfs/dbraw/zinc/75/11/92/561751192.db2.gz BFHDYXSSAAUGPU-SMCANUKXSA-N 1 1 594.772 4.563 1 0 KJAFMO CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(O)cc2O)c1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000014974889 561752118 /nfs/dbraw/zinc/75/21/18/561752118.db2.gz NBORIEUQDSFVFQ-UHFFFAOYSA-N 1 1 527.621 4.787 1 0 KJAFMO CCNC(=O)c1noc(-c2cc(CCc3ccc(F)cc3)c(O)cc2O)c1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000014974898 561752099 /nfs/dbraw/zinc/75/20/99/561752099.db2.gz KJSBEFKXARDWBJ-UHFFFAOYSA-N 1 1 545.611 4.926 1 0 KJAFMO CCNC(=O)c1noc(-c2cc(CCc3cccc(F)c3)c(O)cc2O)c1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000014974904 561752080 /nfs/dbraw/zinc/75/20/80/561752080.db2.gz ZEVCEUSBFMYXLZ-UHFFFAOYSA-N 1 1 545.611 4.926 1 0 KJAFMO CCNC(=O)c1noc(-c2cc(-c3ccccc3F)c(O)cc2O)c1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000014974913 561752125 /nfs/dbraw/zinc/75/21/25/561752125.db2.gz AXYVGIWCXQOTTL-UHFFFAOYSA-N 1 1 517.557 4.808 1 0 KJAFMO CCCN(C1CC[NH+](Cc2c(OC)cccc2OC)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000016080025 561753988 /nfs/dbraw/zinc/75/39/88/561753988.db2.gz MIIPDAAENRAYGU-UHFFFAOYSA-N 1 1 500.583 4.788 1 0 KJAFMO CC(C)(C)NC(=O)[C@H](c1cccs1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000019825821 561758503 /nfs/dbraw/zinc/75/85/03/561758503.db2.gz JATAADIPJGKMSK-VWLOTQADSA-N 1 1 508.688 4.564 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H](c1cccs1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000019825824 561758551 /nfs/dbraw/zinc/75/85/51/561758551.db2.gz JATAADIPJGKMSK-RUZDIDTESA-N 1 1 508.688 4.564 1 0 KJAFMO Cc1cccc(C[NH+]2CCC(CNC(=S)Nc3ccc4nc(N5CCN(C)CC5)cc(C)c4c3)CC2)c1 ZINC000020153850 561758510 /nfs/dbraw/zinc/75/85/10/561758510.db2.gz YLHANRBXSJDDKY-UHFFFAOYSA-N 1 1 516.759 4.802 1 0 KJAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)CC1 ZINC000021289377 561758853 /nfs/dbraw/zinc/75/88/53/561758853.db2.gz PAZDFSJAERQBCY-UHFFFAOYSA-N 1 1 545.519 4.968 1 0 KJAFMO CN1CC[NH+](Cc2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1 ZINC000021289470 561758912 /nfs/dbraw/zinc/75/89/12/561758912.db2.gz AJNZDFUREDKURT-UHFFFAOYSA-N 1 1 509.441 4.793 1 0 KJAFMO Cc1cccc(N)c1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022451122 561759244 /nfs/dbraw/zinc/75/92/44/561759244.db2.gz RAKTXXNBDRXTAX-ZEQRLZLVSA-N 1 1 604.773 4.511 1 0 KJAFMO Cc1cccc(N)c1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022451122 561759243 /nfs/dbraw/zinc/75/92/43/561759243.db2.gz RAKTXXNBDRXTAX-ZEQRLZLVSA-N 1 1 604.773 4.511 1 0 KJAFMO Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022451716 561759409 /nfs/dbraw/zinc/75/94/09/561759409.db2.gz RQDGBNLSKUOAJD-SFTDATJTSA-N 1 1 518.624 4.718 1 0 KJAFMO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCN(C)CC4)cc(OC4CCOCC4)c32)c1 ZINC000022451814 561759368 /nfs/dbraw/zinc/75/93/68/561759368.db2.gz KSOSADFISSODEE-UHFFFAOYSA-N 1 1 542.080 4.610 1 0 KJAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022453986 561759451 /nfs/dbraw/zinc/75/94/51/561759451.db2.gz HMBFXHIQISYDKM-RXVVDRJESA-N 1 1 503.613 4.874 1 0 KJAFMO COC(=O)CN1CC[NH+]([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926959 561759768 /nfs/dbraw/zinc/75/97/68/561759768.db2.gz KYBTWYULZRXBGL-NRFANRHFSA-N 1 1 504.471 4.773 1 0 KJAFMO COC(=O)CN1CC[NH+]([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926963 561759698 /nfs/dbraw/zinc/75/96/98/561759698.db2.gz KYBTWYULZRXBGL-OAQYLSRUSA-N 1 1 504.471 4.773 1 0 KJAFMO Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927060 561759852 /nfs/dbraw/zinc/75/98/52/561759852.db2.gz QVDCSAIULQECDK-VXKWHMMOSA-N 1 1 518.624 4.718 1 0 KJAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927069 561759960 /nfs/dbraw/zinc/75/99/60/561759960.db2.gz QWZMAQRSGSBPHQ-RXVVDRJESA-N 1 1 519.612 4.754 1 0 KJAFMO COc1nc(C)c(C(=O)N2CCC(C)([N@H+]3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 ZINC000022927076 561759917 /nfs/dbraw/zinc/75/99/17/561759917.db2.gz BUZVRSCZMYHLGQ-RXVVDRJESA-N 1 1 533.639 4.883 1 0 KJAFMO O=C1CC[C@](CCN2CC([N@H+]3CCCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927731 561759952 /nfs/dbraw/zinc/75/99/52/561759952.db2.gz OJBWZYNMKJKQQS-MUUNZHRXSA-N 1 1 516.513 4.850 1 0 KJAFMO O=C1CC[C@](CCN2CC([N@@H+]3CCCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927731 561759950 /nfs/dbraw/zinc/75/99/50/561759950.db2.gz OJBWZYNMKJKQQS-MUUNZHRXSA-N 1 1 516.513 4.850 1 0 KJAFMO O=C1CC[C@@](CCN2CC([N@H+]3CCCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927736 561759909 /nfs/dbraw/zinc/75/99/09/561759909.db2.gz OJBWZYNMKJKQQS-NDEPHWFRSA-N 1 1 516.513 4.850 1 0 KJAFMO O=C1CC[C@@](CCN2CC([N@@H+]3CCCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927736 561759908 /nfs/dbraw/zinc/75/99/08/561759908.db2.gz OJBWZYNMKJKQQS-NDEPHWFRSA-N 1 1 516.513 4.850 1 0 KJAFMO O=C1CC[C@@](CCN2CC([NH+]3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927764 561759866 /nfs/dbraw/zinc/75/98/66/561759866.db2.gz DESOAOJLQXTFGI-NDEPHWFRSA-N 1 1 516.513 4.585 1 0 KJAFMO O=C1CC[C@](CCN2CC([NH+]3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927768 561759912 /nfs/dbraw/zinc/75/99/12/561759912.db2.gz DESOAOJLQXTFGI-MUUNZHRXSA-N 1 1 516.513 4.585 1 0 KJAFMO O=C1CC[C@@](CC[NH+]2CC(N3CCC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927780 561759860 /nfs/dbraw/zinc/75/98/60/561759860.db2.gz NEPOEDGBXWMAGJ-YWEHKCAJSA-N 1 1 516.513 4.585 1 0 KJAFMO O=C1CC[C@@](CCN2CC([N@H+]3CCC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927780 561759859 /nfs/dbraw/zinc/75/98/59/561759859.db2.gz NEPOEDGBXWMAGJ-YWEHKCAJSA-N 1 1 516.513 4.585 1 0 KJAFMO O=C1CC[C@@](CC[NH+]2CC(N3CCC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927783 561759900 /nfs/dbraw/zinc/75/99/00/561759900.db2.gz NEPOEDGBXWMAGJ-CUBQBAPOSA-N 1 1 516.513 4.585 1 0 KJAFMO O=C1CC[C@@](CCN2CC([N@H+]3CCC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927783 561759899 /nfs/dbraw/zinc/75/98/99/561759899.db2.gz NEPOEDGBXWMAGJ-CUBQBAPOSA-N 1 1 516.513 4.585 1 0 KJAFMO CCOC1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927878 561760135 /nfs/dbraw/zinc/76/01/35/561760135.db2.gz LDXKTSXBTWBIRA-HHHXNRCGSA-N 1 1 508.534 4.839 1 0 KJAFMO C[C@@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927977 561760138 /nfs/dbraw/zinc/76/01/38/561760138.db2.gz BBLLVWVCYKBQBL-SUYBVONHSA-N 1 1 514.689 4.826 1 0 KJAFMO C[C@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927980 561760071 /nfs/dbraw/zinc/76/00/71/561760071.db2.gz BBLLVWVCYKBQBL-MXBOTTGLSA-N 1 1 514.689 4.826 1 0 KJAFMO C[C@@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927984 561760127 /nfs/dbraw/zinc/76/01/27/561760127.db2.gz BBLLVWVCYKBQBL-HVNZXBJASA-N 1 1 514.689 4.826 1 0 KJAFMO C[C@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927989 561760091 /nfs/dbraw/zinc/76/00/91/561760091.db2.gz BBLLVWVCYKBQBL-NEEKEDPPSA-N 1 1 514.689 4.826 1 0 KJAFMO CCNC(=O)Nc1nc2cc(NCCC[NH+]3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022933824 561760536 /nfs/dbraw/zinc/76/05/36/561760536.db2.gz WQZLHIFJXAIOQL-UHFFFAOYSA-N 1 1 516.477 4.794 1 0 KJAFMO CCOC(=N)c1cc2c(cccc2OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000022934137 561760454 /nfs/dbraw/zinc/76/04/54/561760454.db2.gz JAZXKCYAHPDUFT-VWLOTQADSA-N 1 1 513.638 4.942 1 0 KJAFMO CCOC(=N)c1cc2c(cccc2OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000022934141 561760438 /nfs/dbraw/zinc/76/04/38/561760438.db2.gz JAZXKCYAHPDUFT-RUZDIDTESA-N 1 1 513.638 4.942 1 0 KJAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N)c4)C[C@H]23)CC1 ZINC000022935407 561760602 /nfs/dbraw/zinc/76/06/02/561760602.db2.gz XNXZHSREQUABAF-AVPJRLCVSA-N 1 1 500.062 4.653 1 0 KJAFMO Cc1cc(C)c(C)c(-c2cc3cnc(NCCC[NH+]4CCN(C)CC4)nc3nc2NC(=O)NC(C)(C)C)c1C ZINC000022938697 561760918 /nfs/dbraw/zinc/76/09/18/561760918.db2.gz XTUXOBJKZJZVKD-UHFFFAOYSA-N 1 1 532.737 4.895 1 0 KJAFMO CC(C)N1CCN(CC[NH+]2CCN([C@@H]3C[C@@H](c4ccc(F)cc4)c4cc(Br)ccc43)CC2)C1=O ZINC000022940795 561761051 /nfs/dbraw/zinc/76/10/51/561761051.db2.gz JOAAFQMXBGOANP-AZGAKELHSA-N 1 1 529.498 4.929 1 0 KJAFMO CC(C)NC(=O)Nc1nc2nc(NCCC[NH+]3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022941837 561761277 /nfs/dbraw/zinc/76/12/77/561761277.db2.gz MEGWJRRCEUYDCB-UHFFFAOYSA-N 1 1 531.492 4.578 1 0 KJAFMO CCCC(=O)Nc1nc2nc(NCCC[NH+]3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022941841 561761190 /nfs/dbraw/zinc/76/11/90/561761190.db2.gz WBDKIGZDBBNHLW-UHFFFAOYSA-N 1 1 516.477 4.787 1 0 KJAFMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000022941887 561761240 /nfs/dbraw/zinc/76/12/40/561761240.db2.gz SXKBUSBIAWXPCP-NRFANRHFSA-N 1 1 531.482 4.719 1 0 KJAFMO CN(c1ccc(NC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000023254586 561761467 /nfs/dbraw/zinc/76/14/67/561761467.db2.gz WUUXQSKAAWHECK-UHFFFAOYSA-N 1 1 614.776 4.924 1 0 KJAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NCCNC(=O)OC(C)(C)C)nc3n2)CC1 ZINC000023357757 561761655 /nfs/dbraw/zinc/76/16/55/561761655.db2.gz MVTPOBLUFCMSQU-UHFFFAOYSA-N 1 1 632.597 4.694 1 0 KJAFMO CCN(CC)C(=O)Nc1nc2nc(NCCC[NH+]3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000023357763 561761594 /nfs/dbraw/zinc/76/15/94/561761594.db2.gz SFCDDCGMFLBTSE-UHFFFAOYSA-N 1 1 545.519 4.922 1 0 KJAFMO COc1ccc(Cl)c(Nc2ncnc3ccc(OCCC[NH+]4CCN(C)CC4)c(OC4CCOCC4)c32)c1 ZINC000023358074 561761956 /nfs/dbraw/zinc/76/19/56/561761956.db2.gz KBCWPJVPGXBFTB-UHFFFAOYSA-N 1 1 542.080 4.610 1 0 KJAFMO O=c1[nH]c2c(s1)c(CC[NH2+]CCSCCCOCCc1ccc(NS(=O)(=O)c3ccccc3)cc1)ccc2O ZINC000025422014 561762694 /nfs/dbraw/zinc/76/26/94/561762694.db2.gz JPSDRNMLHOMLSM-UHFFFAOYSA-N 1 1 587.789 4.611 1 0 KJAFMO O=C(Nc1cccc2c3c([nH]c21)[C@@H]1Oc2c4c(ccc2O)C[C@H]2[N@H+](CC5CC5)CC[C@]41[C@@]2(O)C3)c1ccccc1 ZINC000025979806 561763796 /nfs/dbraw/zinc/76/37/96/561763796.db2.gz LNXAIUOZIUCGBQ-VWKWMHJASA-N 1 1 533.628 4.825 1 0 KJAFMO O=C(NCCCC[N@H+](CCCCNC(=O)[C@H]1CSC(c2ccccc2O)=N1)Cc1ccccc1)[C@@H]1CSC(c2ccccc2O)=N1 ZINC000025986877 561764259 /nfs/dbraw/zinc/76/42/59/561764259.db2.gz XBGWJBIFAWXHPH-ISILISOKSA-N 1 1 659.878 4.817 1 0 KJAFMO COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1[nH+]c2c(cc1-c1ccccc1)CCCN2 ZINC000026002006 561765417 /nfs/dbraw/zinc/76/54/17/561765417.db2.gz XCTHUNKHDUMJGV-SANMLTNESA-N 1 1 516.642 4.986 1 0 KJAFMO O=C1c2cccc3c4ccoc4cc(c32)C(=O)N1CCNCCC[NH2+]CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O ZINC000026014337 561766158 /nfs/dbraw/zinc/76/61/58/561766158.db2.gz VPVSIEXBSKBNBQ-UHFFFAOYSA-N 1 1 600.631 4.947 1 0 KJAFMO CC(C)NC(=O)N(CCN1CCOCC1)CC[N@@H+](C)CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000026019201 561766640 /nfs/dbraw/zinc/76/66/40/561766640.db2.gz OZXSADUUGFAWPU-UHFFFAOYSA-N 1 1 550.773 4.520 1 0 KJAFMO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026161424 561768720 /nfs/dbraw/zinc/76/87/20/561768720.db2.gz VFYCGVBGJYLYRZ-WUFINQPMSA-N 1 1 555.641 4.737 1 0 KJAFMO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026161432 561768694 /nfs/dbraw/zinc/76/86/94/561768694.db2.gz VFYCGVBGJYLYRZ-VSGBNLITSA-N 1 1 555.641 4.737 1 0 KJAFMO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026161439 561768674 /nfs/dbraw/zinc/76/86/74/561768674.db2.gz VFYCGVBGJYLYRZ-NSOVKSMOSA-N 1 1 555.641 4.737 1 0 KJAFMO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026161447 561768659 /nfs/dbraw/zinc/76/86/59/561768659.db2.gz VFYCGVBGJYLYRZ-IZLXSDGUSA-N 1 1 555.641 4.737 1 0 KJAFMO COc1ccc(CNC(=O)[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026163445 561768846 /nfs/dbraw/zinc/76/88/46/561768846.db2.gz KZUBHQMYQWICFW-PXJZQJOASA-N 1 1 585.667 4.746 1 0 KJAFMO COc1ccc(CNC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026163453 561768807 /nfs/dbraw/zinc/76/88/07/561768807.db2.gz KZUBHQMYQWICFW-XRKRLSELSA-N 1 1 585.667 4.746 1 0 KJAFMO COc1ccc(CNC(=O)[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026163459 561768829 /nfs/dbraw/zinc/76/88/29/561768829.db2.gz KZUBHQMYQWICFW-YTMVLYRLSA-N 1 1 585.667 4.746 1 0 KJAFMO COc1ccc(CNC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026163467 561768816 /nfs/dbraw/zinc/76/88/16/561768816.db2.gz KZUBHQMYQWICFW-LMSSTIIKSA-N 1 1 585.667 4.746 1 0 KJAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+]3CCC[C@@H]3c3ccccn3)c2=O)c1 ZINC000026165027 561768970 /nfs/dbraw/zinc/76/89/70/561768970.db2.gz NGJKXQHQBCAGBD-HHHXNRCGSA-N 1 1 532.591 4.553 1 0 KJAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+]3CCC[C@H]3c3ccccn3)c2=O)c1 ZINC000026165032 561768959 /nfs/dbraw/zinc/76/89/59/561768959.db2.gz NGJKXQHQBCAGBD-MHZLTWQESA-N 1 1 532.591 4.553 1 0 KJAFMO O=S(=O)(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000026165359 561769091 /nfs/dbraw/zinc/76/90/91/561769091.db2.gz DFSRXCJDESMUAU-BVAGGSTKSA-N 1 1 616.077 4.575 1 0 KJAFMO O=S(=O)(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000026165364 561769035 /nfs/dbraw/zinc/76/90/35/561769035.db2.gz DFSRXCJDESMUAU-OZXSUGGESA-N 1 1 616.077 4.575 1 0 KJAFMO O=S(=O)(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000026165370 561769105 /nfs/dbraw/zinc/76/91/05/561769105.db2.gz DFSRXCJDESMUAU-ZEQKJWHPSA-N 1 1 616.077 4.575 1 0 KJAFMO O=S(=O)(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000026165375 561769071 /nfs/dbraw/zinc/76/90/71/561769071.db2.gz DFSRXCJDESMUAU-JYFHCDHNSA-N 1 1 616.077 4.575 1 0 KJAFMO Cc1c(-c2cccc(OC(F)(F)F)c2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000026166498 561769287 /nfs/dbraw/zinc/76/92/87/561769287.db2.gz KVDOLFFHTRDYLM-UHFFFAOYSA-N 1 1 574.550 4.780 1 0 KJAFMO Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026167312 561769292 /nfs/dbraw/zinc/76/92/92/561769292.db2.gz CGHOWGJLDMCVSF-LEAFIULHSA-N 1 1 656.565 4.853 1 0 KJAFMO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026167318 561769331 /nfs/dbraw/zinc/76/93/31/561769331.db2.gz CGHOWGJLDMCVSF-NAKRPHOHSA-N 1 1 656.565 4.853 1 0 KJAFMO Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026167324 561769317 /nfs/dbraw/zinc/76/93/17/561769317.db2.gz CGHOWGJLDMCVSF-LBNVMWSVSA-N 1 1 656.565 4.853 1 0 KJAFMO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026167329 561769322 /nfs/dbraw/zinc/76/93/22/561769322.db2.gz CGHOWGJLDMCVSF-LSYYVWMOSA-N 1 1 656.565 4.853 1 0 KJAFMO O=C(NC[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000026173453 561770541 /nfs/dbraw/zinc/77/05/41/561770541.db2.gz LZRJWFJEAUSNDC-VPUSJEBWSA-N 1 1 562.032 4.887 1 0 KJAFMO O=C(NC[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000026173458 561770545 /nfs/dbraw/zinc/77/05/45/561770545.db2.gz LZRJWFJEAUSNDC-BDYUSTAISA-N 1 1 562.032 4.887 1 0 KJAFMO O=C(NC[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000026173463 561770519 /nfs/dbraw/zinc/77/05/19/561770519.db2.gz LZRJWFJEAUSNDC-XNMGPUDCSA-N 1 1 562.032 4.887 1 0 KJAFMO O=C(NC[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000026173467 561770500 /nfs/dbraw/zinc/77/05/00/561770500.db2.gz LZRJWFJEAUSNDC-AHKZPQOWSA-N 1 1 562.032 4.887 1 0 KJAFMO CCOc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000026179126 561771307 /nfs/dbraw/zinc/77/13/07/561771307.db2.gz MMLXJDVPKNROEJ-XMBNWINWSA-N 1 1 736.910 4.748 1 0 KJAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H](C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026181234 561771705 /nfs/dbraw/zinc/77/17/05/561771705.db2.gz LLVJVNVNDLXYES-SJSGBSKDSA-N 1 1 706.844 4.701 1 0 KJAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026181239 561771745 /nfs/dbraw/zinc/77/17/45/561771745.db2.gz LLVJVNVNDLXYES-HRVOSISDSA-N 1 1 706.844 4.701 1 0 KJAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccnc1 ZINC000026250564 561774129 /nfs/dbraw/zinc/77/41/29/561774129.db2.gz ZDRYUNURXIELMP-VMPREFPWSA-N 1 1 558.723 4.790 1 0 KJAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1cccnc1 ZINC000026250564 561774128 /nfs/dbraw/zinc/77/41/28/561774128.db2.gz ZDRYUNURXIELMP-VMPREFPWSA-N 1 1 558.723 4.790 1 0 KJAFMO F[C@@H]1CN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000026250884 561774052 /nfs/dbraw/zinc/77/40/52/561774052.db2.gz XMNHYMRSXOCEGF-NOZRDPDXSA-N 1 1 500.544 4.902 1 0 KJAFMO F[C@@H]1C[N@@H+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000026250884 561774049 /nfs/dbraw/zinc/77/40/49/561774049.db2.gz XMNHYMRSXOCEGF-NOZRDPDXSA-N 1 1 500.544 4.902 1 0 KJAFMO F[C@H]1CN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000026250893 561774115 /nfs/dbraw/zinc/77/41/15/561774115.db2.gz XMNHYMRSXOCEGF-ZCYQVOJMSA-N 1 1 500.544 4.902 1 0 KJAFMO F[C@H]1C[N@@H+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000026250893 561774114 /nfs/dbraw/zinc/77/41/14/561774114.db2.gz XMNHYMRSXOCEGF-ZCYQVOJMSA-N 1 1 500.544 4.902 1 0 KJAFMO CCc1c(C[NH+]2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] ZINC000026264790 561776095 /nfs/dbraw/zinc/77/60/95/561776095.db2.gz LVQUZJFEXPYANX-UHFFFAOYSA-N 1 1 600.716 4.696 1 0 KJAFMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN(Cc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026264949 561776224 /nfs/dbraw/zinc/77/62/24/561776224.db2.gz CWYQMJKOOOYTLH-VWLOTQADSA-N 1 1 589.758 4.676 1 0 KJAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN(Cc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026264949 561776222 /nfs/dbraw/zinc/77/62/22/561776222.db2.gz CWYQMJKOOOYTLH-VWLOTQADSA-N 1 1 589.758 4.676 1 0 KJAFMO COc1cc(OC2CC[NH+](Cc3ccc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026266682 561776351 /nfs/dbraw/zinc/77/63/51/561776351.db2.gz XPBLYKQSZGYHMD-UHFFFAOYSA-N 1 1 600.716 4.750 1 0 KJAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000026271107 561777308 /nfs/dbraw/zinc/77/73/08/561777308.db2.gz SWXHHKZYRFCOPH-VXKWHMMOSA-N 1 1 625.191 4.856 1 0 KJAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000026271107 561777306 /nfs/dbraw/zinc/77/73/06/561777306.db2.gz SWXHHKZYRFCOPH-VXKWHMMOSA-N 1 1 625.191 4.856 1 0 KJAFMO COc1cc(OC2CC[NH+](Cc3c[n+]([O-])c(C)cc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026273191 561777580 /nfs/dbraw/zinc/77/75/80/561777580.db2.gz VEFMZOCSBCFHBJ-UHFFFAOYSA-N 1 1 600.716 4.750 1 0 KJAFMO COc1cc(OC2CC[NH+]([C@@H]3CCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026274786 561778108 /nfs/dbraw/zinc/77/81/08/561778108.db2.gz BPKAODVGZHYQQN-GDLZYMKVSA-N 1 1 616.690 4.760 1 0 KJAFMO COc1cc(OC2CC[NH+]([C@H]3CCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026274793 561778093 /nfs/dbraw/zinc/77/80/93/561778093.db2.gz BPKAODVGZHYQQN-LJAQVGFWSA-N 1 1 616.690 4.760 1 0 KJAFMO CC(C)[C@@H]1NC(=O)/C=C\CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276788 561778504 /nfs/dbraw/zinc/77/85/04/561778504.db2.gz VANGMTGZZOAFPM-GIRZVQCASA-N 1 1 638.894 4.520 1 0 KJAFMO CC(C)[C@@H]1NC(=O)/C=C\CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276793 561778527 /nfs/dbraw/zinc/77/85/27/561778527.db2.gz VANGMTGZZOAFPM-DWOYICJSSA-N 1 1 638.894 4.520 1 0 KJAFMO COc1cc(OC2CC[NH+](Cc3ccc[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026281644 561779179 /nfs/dbraw/zinc/77/91/79/561779179.db2.gz WGXJHFJKJUSPCF-UHFFFAOYSA-N 1 1 604.679 4.581 1 0 KJAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1 ZINC000026288566 561780228 /nfs/dbraw/zinc/78/02/28/561780228.db2.gz UKOYDIULRIOVQF-UHFFFAOYSA-N 1 1 532.253 4.930 1 0 KJAFMO CC(C)(C)NC(=O)[C@H](CC1CCCCC1)[N@H+]1CC[C@@](O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000026290382 561780535 /nfs/dbraw/zinc/78/05/35/561780535.db2.gz ZYITZRKIODUJNW-QRQMUESOSA-N 1 1 515.739 4.813 1 0 KJAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000026291365 561780591 /nfs/dbraw/zinc/78/05/91/561780591.db2.gz YJZYPOYHHWWHAC-UHFFFAOYSA-N 1 1 569.637 4.605 1 0 KJAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000026291365 561780589 /nfs/dbraw/zinc/78/05/89/561780589.db2.gz YJZYPOYHHWWHAC-UHFFFAOYSA-N 1 1 569.637 4.605 1 0 KJAFMO CCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000026293819 561781010 /nfs/dbraw/zinc/78/10/10/561781010.db2.gz DUTCXSHILPDZPT-ZVKCSQHFSA-N 1 1 612.900 4.981 1 0 KJAFMO CCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000026293824 561781030 /nfs/dbraw/zinc/78/10/30/561781030.db2.gz DUTCXSHILPDZPT-YGNWIIGRSA-N 1 1 612.900 4.981 1 0 KJAFMO CC(C)[C@@H]1NC(=O)CCCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026296691 561781615 /nfs/dbraw/zinc/78/16/15/561781615.db2.gz WEDYIPBWZKOBFA-PLABGEDTSA-N 1 1 640.910 4.744 1 0 KJAFMO CC(C)[C@@H]1NC(=O)CCCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026296696 561781565 /nfs/dbraw/zinc/78/15/65/561781565.db2.gz WEDYIPBWZKOBFA-XWEINSKWSA-N 1 1 640.910 4.744 1 0 KJAFMO C[C@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026382532 561783617 /nfs/dbraw/zinc/78/36/17/561783617.db2.gz JXRMINGXQAAJHB-IQGXZWDMSA-N 1 1 716.776 4.997 1 0 KJAFMO C[C@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026382536 561783615 /nfs/dbraw/zinc/78/36/15/561783615.db2.gz JXRMINGXQAAJHB-SVAJZEFYSA-N 1 1 716.776 4.997 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCSC1 ZINC000026387365 561784834 /nfs/dbraw/zinc/78/48/34/561784834.db2.gz ZOMNPGWFMCUJBM-DRNYJLRZSA-N 1 1 699.962 4.970 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCSC1 ZINC000026387791 561784869 /nfs/dbraw/zinc/78/48/69/561784869.db2.gz ZOMNPGWFMCUJBM-UEMRSFKDSA-N 1 1 699.962 4.970 1 0 KJAFMO 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CC(C)(c1cc2cnccc2o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCc2ccccc2)C1 ZINC000026495301 561794200 /nfs/dbraw/zinc/79/42/00/561794200.db2.gz NVJUERDAHJXCBV-ZIGGZKNYSA-N 1 1 731.894 4.586 1 0 KJAFMO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026498528 561794787 /nfs/dbraw/zinc/79/47/87/561794787.db2.gz NTXTWVRSZIGFAM-XMMPIXPASA-N 1 1 573.180 4.956 1 0 KJAFMO Cn1cc(Cc2cn(CC(=O)N(CC[NH+](CCO)CCO)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026576688 561800508 /nfs/dbraw/zinc/80/05/08/561800508.db2.gz RAGXHIOOJLIKBZ-UHFFFAOYSA-N 1 1 719.283 4.635 1 0 KJAFMO Cc1cc2c(n1-c1ncnc3c1ncn3C[C@@H](O)CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000026577056 561800986 /nfs/dbraw/zinc/80/09/86/561800986.db2.gz ALGYDKKJOXKBLM-LJAQVGFWSA-N 1 1 561.734 4.572 1 0 KJAFMO Cc1cc2c(n1-c1ncnc3c1ncn3C[C@H](O)CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000026577057 561800970 /nfs/dbraw/zinc/80/09/70/561800970.db2.gz ALGYDKKJOXKBLM-GDLZYMKVSA-N 1 1 561.734 4.572 1 0 KJAFMO c1ccn(-c2ncnc3c2ncn3CCC[NH+]2CCN(C3c4ccccc4CCc4ccccc43)CC2)c1 ZINC000026577679 561802232 /nfs/dbraw/zinc/80/22/32/561802232.db2.gz GAQRRFSNWBERMJ-UHFFFAOYSA-N 1 1 503.654 4.513 1 0 KJAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCOCC5)cc(C)[nH+]c34)c2Cl)cn1 ZINC000026637803 561806041 /nfs/dbraw/zinc/80/60/41/561806041.db2.gz NKJKSLWLMUIYQT-XYOKQWHBSA-N 1 1 677.589 4.813 1 0 KJAFMO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000026646996 561807658 /nfs/dbraw/zinc/80/76/58/561807658.db2.gz QBSQVEJPDGVATG-RUZDIDTESA-N 1 1 544.783 4.715 1 0 KJAFMO CN(C[C@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000026647001 561807691 /nfs/dbraw/zinc/80/76/91/561807691.db2.gz QBSQVEJPDGVATG-VWLOTQADSA-N 1 1 544.783 4.715 1 0 KJAFMO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 ZINC000026649295 561808032 /nfs/dbraw/zinc/80/80/32/561808032.db2.gz BGTJAYVNDHWUPE-UHFFFAOYSA-N 1 1 638.899 4.797 1 0 KJAFMO COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c[nH]cn1)[C@@H]2c1ccccc1 ZINC000026654978 561809193 /nfs/dbraw/zinc/80/91/93/561809193.db2.gz MPAHEXNEQNYRLC-OXTYCOSGSA-N 1 1 539.562 4.693 1 0 KJAFMO COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c[nH]cn1)[C@@H]2c1ccccc1 ZINC000026654978 561809192 /nfs/dbraw/zinc/80/91/92/561809192.db2.gz MPAHEXNEQNYRLC-OXTYCOSGSA-N 1 1 539.562 4.693 1 0 KJAFMO COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]cn1)[C@@H]2c1ccccc1 ZINC000026654983 561809200 /nfs/dbraw/zinc/80/92/00/561809200.db2.gz MPAHEXNEQNYRLC-GJQIQAERSA-N 1 1 539.562 4.693 1 0 KJAFMO COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]cn1)[C@@H]2c1ccccc1 ZINC000026654983 561809199 /nfs/dbraw/zinc/80/91/99/561809199.db2.gz MPAHEXNEQNYRLC-GJQIQAERSA-N 1 1 539.562 4.693 1 0 KJAFMO CC(C)N1CCN(CC[NH+]2CCN([C@H]3C[C@@H](c4ccc(F)cc4)c4cc(Br)ccc43)CC2)C1=O ZINC000026660397 561810188 /nfs/dbraw/zinc/81/01/88/561810188.db2.gz JOAAFQMXBGOANP-AHWVRZQESA-N 1 1 529.498 4.929 1 0 KJAFMO CC(C)N1CCN(CC[NH+]2CCN([C@@H]3C[C@H](c4ccc(F)cc4)c4cc(Br)ccc43)CC2)C1=O ZINC000026660403 561810181 /nfs/dbraw/zinc/81/01/81/561810181.db2.gz JOAAFQMXBGOANP-AOYPEHQESA-N 1 1 529.498 4.929 1 0 KJAFMO CC(C)N1CCN(CC[NH+]2CCN([C@H]3C[C@H](c4ccc(F)cc4)c4cc(Br)ccc43)CC2)C1=O ZINC000026660409 561810383 /nfs/dbraw/zinc/81/03/83/561810383.db2.gz JOAAFQMXBGOANP-RSXGOPAZSA-N 1 1 529.498 4.929 1 0 KJAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)CCc3ccccc3)cc2)C1 ZINC000026661905 561810421 /nfs/dbraw/zinc/81/04/21/561810421.db2.gz OBERAOAVWYIUPL-WUFINQPMSA-N 1 1 504.074 4.941 1 0 KJAFMO COc1ccc(C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CC[C@H]3c3ccc(Cl)cc3)cc2)cc1 ZINC000026663773 561810697 /nfs/dbraw/zinc/81/06/97/561810697.db2.gz RMGNNXHPIYUFGG-RRPNLBNLSA-N 1 1 506.046 4.630 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc2ccccc2c1)NS(C)(=O)=O ZINC000026735100 561817274 /nfs/dbraw/zinc/81/72/74/561817274.db2.gz NNBAMFOWJQFHIQ-HHIXDIKQSA-N 1 1 708.991 4.734 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026741769 561818294 /nfs/dbraw/zinc/81/82/94/561818294.db2.gz ZJCRACQKNWUFFC-UCWKTGAJSA-N 1 1 535.729 4.680 1 0 KJAFMO CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000026743898 561818540 /nfs/dbraw/zinc/81/85/40/561818540.db2.gz RWTCPTHRTYJIJO-XBXAHQGSSA-N 1 1 510.675 4.845 1 0 KJAFMO CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000026743898 561818539 /nfs/dbraw/zinc/81/85/39/561818539.db2.gz RWTCPTHRTYJIJO-XBXAHQGSSA-N 1 1 510.675 4.845 1 0 KJAFMO CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000026743903 561818546 /nfs/dbraw/zinc/81/85/46/561818546.db2.gz RWTCPTHRTYJIJO-WXIXLNPNSA-N 1 1 510.675 4.845 1 0 KJAFMO CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000026743903 561818545 /nfs/dbraw/zinc/81/85/45/561818545.db2.gz RWTCPTHRTYJIJO-WXIXLNPNSA-N 1 1 510.675 4.845 1 0 KJAFMO CS(=O)(=O)N(c1ccc(CC[N@@H+](CCOc2cccc3ccccc32)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000026745063 561818665 /nfs/dbraw/zinc/81/86/65/561818665.db2.gz NJYGPQQBKCQBKA-UHFFFAOYSA-N 1 1 552.718 4.689 1 0 KJAFMO COc1cc2[nH+]c(N3CCOCC3)nc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC ZINC000026821652 561821202 /nfs/dbraw/zinc/82/12/02/561821202.db2.gz TVRADXVJUWRKGV-UHFFFAOYSA-N 1 1 570.650 4.630 1 0 KJAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026826059 561821977 /nfs/dbraw/zinc/82/19/77/561821977.db2.gz LGMHHHCIIPHTFW-NREVGYPESA-N 1 1 735.926 4.641 1 0 KJAFMO CN1C(=O)[C@@H]2[C@@H](C[N@@H+](Cc3cccs3)C23CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)C1=O ZINC000026826699 561822065 /nfs/dbraw/zinc/82/20/65/561822065.db2.gz AMSYJCKYQVDRSP-MOPGFXCFSA-N 1 1 559.532 4.507 1 0 KJAFMO O=C(c1cn(Cc2c[nH+]cn2Cc2ccc3c(c2)OCO3)cc1-c1cccc2ccccc21)N1CCOCC1 ZINC000026830655 561822842 /nfs/dbraw/zinc/82/28/42/561822842.db2.gz VHSNTJWPNYCXNM-UHFFFAOYSA-N 1 1 520.589 4.803 1 0 KJAFMO C[N@@H+](CCCN1C(=O)C[S@](=O)[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026844128 561826184 /nfs/dbraw/zinc/82/61/84/561826184.db2.gz SHUKHGHJLUPUAN-FEJAXNNGSA-N 1 1 558.741 4.706 1 0 KJAFMO C[N@@H+](CCCN1C(=O)C[S@](=O)[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026844137 561826305 /nfs/dbraw/zinc/82/63/05/561826305.db2.gz SHUKHGHJLUPUAN-MRFARIQKSA-N 1 1 558.741 4.706 1 0 KJAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(O)cc(O)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026847821 561826776 /nfs/dbraw/zinc/82/67/76/561826776.db2.gz VLRUJAUNTLRVJZ-GDLZYMKVSA-N 1 1 597.543 4.685 1 0 KJAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(O)cc(O)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026847828 561826753 /nfs/dbraw/zinc/82/67/53/561826753.db2.gz VLRUJAUNTLRVJZ-LJAQVGFWSA-N 1 1 597.543 4.685 1 0 KJAFMO Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848185 561826910 /nfs/dbraw/zinc/82/69/10/561826910.db2.gz AKWFEANKAWGNIH-XDFJSJKPSA-N 1 1 636.624 4.917 1 0 KJAFMO Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@@H](N)c4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848802 561826882 /nfs/dbraw/zinc/82/68/82/561826882.db2.gz AKWFEANKAWGNIH-CDZUIXILSA-N 1 1 636.624 4.917 1 0 KJAFMO COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@]2(O)[C@H]3Cc5ccc(O)c6c5[C@@]2(CC[N@H+]3CC2CC2)[C@H]4O6)cc1 ZINC000026850246 561827146 /nfs/dbraw/zinc/82/71/46/561827146.db2.gz HBMCOCNPRMMGSX-XCQSDYEBSA-N 1 1 577.681 4.511 1 0 KJAFMO CCCCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026953289 561829047 /nfs/dbraw/zinc/82/90/47/561829047.db2.gz JFOLTVUNYCJQAB-XCQSDYEBSA-N 1 1 584.761 4.995 1 0 KJAFMO O=C(NCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026954100 561829004 /nfs/dbraw/zinc/82/90/04/561829004.db2.gz INUXJSZISOXQKE-XCQSDYEBSA-N 1 1 561.682 4.545 1 0 KJAFMO O=C(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026957526 561829294 /nfs/dbraw/zinc/82/92/94/561829294.db2.gz QIIHYJKTASKFCK-ZLFJBEIYSA-N 1 1 547.655 4.503 1 0 KJAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[N@@H+](C)CCCOCC(C)C)c2=O)c1 ZINC000026984432 561831724 /nfs/dbraw/zinc/83/17/24/561831724.db2.gz IBGOMPAQWPCHCV-OAQYLSRUSA-N 1 1 543.655 4.704 1 0 KJAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[N@@H+](C)CCCOCC(C)C)c2=O)c1 ZINC000026984441 561831691 /nfs/dbraw/zinc/83/16/91/561831691.db2.gz IBGOMPAQWPCHCV-NRFANRHFSA-N 1 1 543.655 4.704 1 0 KJAFMO CCC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026985036 561831701 /nfs/dbraw/zinc/83/17/01/561831701.db2.gz CDXPXGTXMHDBTG-VWLOTQADSA-N 1 1 623.758 4.748 1 0 KJAFMO CCC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026985045 561831705 /nfs/dbraw/zinc/83/17/05/561831705.db2.gz CDXPXGTXMHDBTG-RUZDIDTESA-N 1 1 623.758 4.748 1 0 KJAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cn(Cc2ccccc2)cn1 ZINC000026992598 561832826 /nfs/dbraw/zinc/83/28/26/561832826.db2.gz PQNSPFIZCUQADZ-SJHFQCKASA-N 1 1 643.854 4.983 1 0 KJAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000026994145 561832946 /nfs/dbraw/zinc/83/29/46/561832946.db2.gz VDOIRLNHAAJVAF-FRJUPVQCSA-N 1 1 643.854 4.983 1 0 KJAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000026998243 561833640 /nfs/dbraw/zinc/83/36/40/561833640.db2.gz FWWJGHORTZMPHN-VCXVHRGASA-N 1 1 673.880 4.991 1 0 KJAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000026998249 561833753 /nfs/dbraw/zinc/83/37/53/561833753.db2.gz FWWJGHORTZMPHN-SDZVROEXSA-N 1 1 673.880 4.991 1 0 KJAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000026998249 561833751 /nfs/dbraw/zinc/83/37/51/561833751.db2.gz FWWJGHORTZMPHN-SDZVROEXSA-N 1 1 673.880 4.991 1 0 KJAFMO [NH3+][C@H](C(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1)[C@H]1c2ccccc2C[C@H]1O ZINC000027082603 561835384 /nfs/dbraw/zinc/83/53/84/561835384.db2.gz HXBNHPYCJRDCHY-LVOQXVOVSA-N 1 1 616.802 4.896 1 0 KJAFMO [NH3+][C@@H](C(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1)[C@H]1c2ccccc2C[C@H]1O ZINC000027082613 561835446 /nfs/dbraw/zinc/83/54/46/561835446.db2.gz HXBNHPYCJRDCHY-DMIGSCBESA-N 1 1 616.802 4.896 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2)C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027087478 561836677 /nfs/dbraw/zinc/83/66/77/561836677.db2.gz KKFXZNIYCULVFE-WYEKHUOMSA-N 1 1 649.832 4.961 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H](Oc2ccc3ccccc3c2)C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000027087485 561836670 /nfs/dbraw/zinc/83/66/70/561836670.db2.gz KKFXZNIYCULVFE-YSOFAQBESA-N 1 1 649.832 4.961 1 0 KJAFMO CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027107097 561840442 /nfs/dbraw/zinc/84/04/42/561840442.db2.gz AFMCIMPHUYMJRM-KMSCUOMXSA-N 1 1 734.024 4.622 1 0 KJAFMO CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027107097 561840441 /nfs/dbraw/zinc/84/04/41/561840441.db2.gz AFMCIMPHUYMJRM-KMSCUOMXSA-N 1 1 734.024 4.622 1 0 KJAFMO CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027107100 561840427 /nfs/dbraw/zinc/84/04/27/561840427.db2.gz QTLGIAJNRMCFSI-HVRNLMOBSA-N 1 1 720.981 4.707 1 0 KJAFMO CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027107100 561840426 /nfs/dbraw/zinc/84/04/26/561840426.db2.gz QTLGIAJNRMCFSI-HVRNLMOBSA-N 1 1 720.981 4.707 1 0 KJAFMO C[C@@H]1C[C@H](C)CN(CC(=O)Nc2nc3cc4nc(NC(=O)C[N@@H+]5C[C@H](C)C[C@H](C)C5)sc4cc3s2)C1 ZINC000027184053 561842165 /nfs/dbraw/zinc/84/21/65/561842165.db2.gz IITMPFUJXRCRPM-USTZCAOPSA-N 1 1 528.748 4.739 1 0 KJAFMO C[C@@H]1C[C@H](C)CN(CC(=O)Nc2nc3cc4nc(NC(=O)C[N@H+]5C[C@H](C)C[C@H](C)C5)sc4cc3s2)C1 ZINC000027184053 561842164 /nfs/dbraw/zinc/84/21/64/561842164.db2.gz IITMPFUJXRCRPM-USTZCAOPSA-N 1 1 528.748 4.739 1 0 KJAFMO Cc1c(=O)c2cccc(C(=O)NCCC[NH+]3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)c2oc1-c1ccccc1 ZINC000027210812 561847161 /nfs/dbraw/zinc/84/71/61/561847161.db2.gz OTPCOGQCPMOGMX-UHFFFAOYSA-N 1 1 600.672 4.688 1 0 KJAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000027212456 561847406 /nfs/dbraw/zinc/84/74/06/561847406.db2.gz VZZYDPJKIQLWEV-GTPRLXIXSA-N 1 1 575.710 4.832 1 0 KJAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000027212461 561847446 /nfs/dbraw/zinc/84/74/46/561847446.db2.gz VZZYDPJKIQLWEV-OOVLPZSHSA-N 1 1 575.710 4.832 1 0 KJAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4O)CC3)c2)C1C(=O)OC ZINC000027212465 561847458 /nfs/dbraw/zinc/84/74/58/561847458.db2.gz GYPGZSMKIORLNT-GTPRLXIXSA-N 1 1 591.709 4.537 1 0 KJAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4O)CC3)c2)C1C(=O)OC ZINC000027212469 561847487 /nfs/dbraw/zinc/84/74/87/561847487.db2.gz GYPGZSMKIORLNT-OOVLPZSHSA-N 1 1 591.709 4.537 1 0 KJAFMO O=C(NCc1ccccc1)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027213125 561847690 /nfs/dbraw/zinc/84/76/90/561847690.db2.gz SAHAPURYDVSJFH-CZNDPXEESA-N 1 1 651.211 4.752 1 0 KJAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4cccc(O)c4)CC3)c2)C1C(=O)OC ZINC000027215921 561848395 /nfs/dbraw/zinc/84/83/95/561848395.db2.gz XBSMUCHEWPGGEU-GTPRLXIXSA-N 1 1 591.709 4.537 1 0 KJAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4cccc(O)c4)CC3)c2)C1C(=O)OC ZINC000027215927 561848443 /nfs/dbraw/zinc/84/84/43/561848443.db2.gz XBSMUCHEWPGGEU-OOVLPZSHSA-N 1 1 591.709 4.537 1 0 KJAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027300121 561848867 /nfs/dbraw/zinc/84/88/67/561848867.db2.gz YAOANSFSWFZPPC-ONLUTYIHSA-N 1 1 605.736 4.840 1 0 KJAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027300129 561848874 /nfs/dbraw/zinc/84/88/74/561848874.db2.gz YAOANSFSWFZPPC-SKDBZILTSA-N 1 1 605.736 4.840 1 0 KJAFMO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC000027313616 561851190 /nfs/dbraw/zinc/85/11/90/561851190.db2.gz RPPVJVCQOYZPGW-UHFFFAOYSA-N 1 1 675.162 4.635 1 0 KJAFMO O=c1n(CCC[NH+]2CCN(c3ccccc3)CC2)nc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 ZINC000027328864 561854241 /nfs/dbraw/zinc/85/42/41/561854241.db2.gz XHXJICPUIQEZRG-UHFFFAOYSA-N 1 1 547.490 4.904 1 0 KJAFMO O=S(=O)(c1ccc(-c2ccnc(Nc3ccc(-c4ccc5ncsc5c4)cc3)n2)cc1)N1CC[NH2+]CC1 ZINC000027331343 561855057 /nfs/dbraw/zinc/85/50/57/561855057.db2.gz GEAPVWOLRPIXJU-UHFFFAOYSA-N 1 1 528.663 4.758 1 0 KJAFMO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413112 561856743 /nfs/dbraw/zinc/85/67/43/561856743.db2.gz OHEUJYJUVYPNKL-ZUVFJQHLSA-N 1 1 639.788 4.902 1 0 KJAFMO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413117 561856676 /nfs/dbraw/zinc/85/66/76/561856676.db2.gz OHEUJYJUVYPNKL-QZIZTPMKSA-N 1 1 639.788 4.902 1 0 KJAFMO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413122 561856662 /nfs/dbraw/zinc/85/66/62/561856662.db2.gz OHEUJYJUVYPNKL-GNNCHPBJSA-N 1 1 639.788 4.902 1 0 KJAFMO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413127 561856752 /nfs/dbraw/zinc/85/67/52/561856752.db2.gz OHEUJYJUVYPNKL-DICNJETBSA-N 1 1 639.788 4.902 1 0 KJAFMO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421621 561857827 /nfs/dbraw/zinc/85/78/27/561857827.db2.gz ZDNLRYDGPXLQJI-BRBTZGCTSA-N 1 1 639.788 4.902 1 0 KJAFMO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421626 561857852 /nfs/dbraw/zinc/85/78/52/561857852.db2.gz ZDNLRYDGPXLQJI-CARQOULDSA-N 1 1 639.788 4.902 1 0 KJAFMO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421632 561857824 /nfs/dbraw/zinc/85/78/24/561857824.db2.gz ZDNLRYDGPXLQJI-LFTSXLRWSA-N 1 1 639.788 4.902 1 0 KJAFMO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421637 561857855 /nfs/dbraw/zinc/85/78/55/561857855.db2.gz ZDNLRYDGPXLQJI-WMMPDGNWSA-N 1 1 639.788 4.902 1 0 KJAFMO CCCN(c1ccncn1)C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027433019 561859566 /nfs/dbraw/zinc/85/95/66/561859566.db2.gz QKFMQLOWHWCJRM-HNPKZYAISA-N 1 1 523.697 4.656 1 0 KJAFMO CCCN(c1nccc(OC)n1)C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027433971 561859739 /nfs/dbraw/zinc/85/97/39/561859739.db2.gz MHNYDKBJIRMLCL-HNPKZYAISA-N 1 1 553.723 4.664 1 0 KJAFMO CCCN(c1cncnc1)C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027435526 561860080 /nfs/dbraw/zinc/86/00/80/561860080.db2.gz XIUXJGLXQIZUKO-TUMTZTIRSA-N 1 1 523.697 4.656 1 0 KJAFMO CCCN(c1ncccn1)C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027436544 561860193 /nfs/dbraw/zinc/86/01/93/561860193.db2.gz PBQIQXDKWBWMSH-WIIGKZCBSA-N 1 1 519.734 4.907 1 0 KJAFMO CCCN(c1ncc(F)cn1)C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027439412 561860595 /nfs/dbraw/zinc/86/05/95/561860595.db2.gz LXLHCGLWCKKLPP-MLKSZZLFSA-N 1 1 541.687 4.795 1 0 KJAFMO O[C@@H](CSc1ncnc2c1ncn2-c1ccccc1)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027518587 561862420 /nfs/dbraw/zinc/86/24/20/561862420.db2.gz PCKDIIIWLQQYSH-HHHXNRCGSA-N 1 1 572.685 4.954 1 0 KJAFMO O[C@H](CSc1ncnc2c1ncn2-c1ccccc1)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027518588 561862442 /nfs/dbraw/zinc/86/24/42/561862442.db2.gz PCKDIIIWLQQYSH-MHZLTWQESA-N 1 1 572.685 4.954 1 0 KJAFMO O[C@@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000027518755 561862488 /nfs/dbraw/zinc/86/24/88/561862488.db2.gz NJEIDQVRACLRFP-OAQYLSRUSA-N 1 1 618.399 4.738 1 0 KJAFMO O[C@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000027518756 561862545 /nfs/dbraw/zinc/86/25/45/561862545.db2.gz NJEIDQVRACLRFP-NRFANRHFSA-N 1 1 618.399 4.738 1 0 KJAFMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([nH]c6ccccc6c5=O)[C@@H]4c4ccc5c(c4)CCO5)o3)cc2)CC1 ZINC000027520493 561863682 /nfs/dbraw/zinc/86/36/82/561863682.db2.gz ABOHIXOOXRYIFZ-XIFFEERXSA-N 1 1 600.675 4.856 1 0 KJAFMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([nH]c6ccccc6c5=O)[C@H]4c4ccc5c(c4)CCO5)o3)cc2)CC1 ZINC000027520495 561863668 /nfs/dbraw/zinc/86/36/68/561863668.db2.gz ABOHIXOOXRYIFZ-MGBGTMOVSA-N 1 1 600.675 4.856 1 0 KJAFMO COC(=O)c1ccccc1N1CC[NH+](CCCCCN2C(C)=NC(C)=C(C(=O)OC)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000027547444 561867082 /nfs/dbraw/zinc/86/70/82/561867082.db2.gz JYFJUOGHGPLWFO-GDLZYMKVSA-N 1 1 568.665 4.966 1 0 KJAFMO COC(=O)c1ccccc1N1CC[NH+](CCCCCN2C(C)=NC(C)=C(C(=O)OC)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000027547449 561867071 /nfs/dbraw/zinc/86/70/71/561867071.db2.gz JYFJUOGHGPLWFO-LJAQVGFWSA-N 1 1 568.665 4.966 1 0 KJAFMO COC(=O)C1(c2ccccc2)CC[NH+](CCCCCN2C(C)=NC(C)=C(C(N)=O)[C@@H]2c2ccc(F)cc2F)CC1 ZINC000027549296 561867648 /nfs/dbraw/zinc/86/76/48/561867648.db2.gz MFXXQERUKWXMIU-NDEPHWFRSA-N 1 1 552.666 4.876 1 0 KJAFMO COC(=O)C1(c2ccccc2)CC[NH+](CCCCCN2C(C)=NC(C)=C(C(N)=O)[C@H]2c2ccc(F)cc2F)CC1 ZINC000027549300 561867635 /nfs/dbraw/zinc/86/76/35/561867635.db2.gz MFXXQERUKWXMIU-MUUNZHRXSA-N 1 1 552.666 4.876 1 0 KJAFMO COc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]([NH2+]Cc2ccc(Cl)cc2)C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000027549502 561867652 /nfs/dbraw/zinc/86/76/52/561867652.db2.gz MUMWUWSAYZJECD-OCFVUHCMSA-N 1 1 707.272 4.637 1 0 KJAFMO CCOc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027550028 561867769 /nfs/dbraw/zinc/86/77/69/561867769.db2.gz MMLXJDVPKNROEJ-FFCOJMSVSA-N 1 1 736.910 4.748 1 0 KJAFMO COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC ZINC000027550947 561867858 /nfs/dbraw/zinc/86/78/58/561867858.db2.gz YFEUUISKXLCYAK-UHFFFAOYSA-N 1 1 552.745 4.504 1 0 KJAFMO COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)C[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027552523 561868313 /nfs/dbraw/zinc/86/83/13/561868313.db2.gz BLFCXMMGSUUVCS-AFJIDDCJSA-N 1 1 567.681 4.524 1 0 KJAFMO COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)C[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027552526 561868334 /nfs/dbraw/zinc/86/83/34/561868334.db2.gz BLFCXMMGSUUVCS-WRONEBCDSA-N 1 1 567.681 4.524 1 0 KJAFMO COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC ZINC000027552675 561868533 /nfs/dbraw/zinc/86/85/33/561868533.db2.gz VCMNAOAODHZBHW-UHFFFAOYSA-N 1 1 552.745 4.504 1 0 KJAFMO COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)C[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027552924 561868465 /nfs/dbraw/zinc/86/84/65/561868465.db2.gz BLFCXMMGSUUVCS-ACSYHNTCSA-N 1 1 567.681 4.524 1 0 KJAFMO COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)C[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027552926 561868423 /nfs/dbraw/zinc/86/84/23/561868423.db2.gz BLFCXMMGSUUVCS-OLILMLBXSA-N 1 1 567.681 4.524 1 0 KJAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000027553605 561868808 /nfs/dbraw/zinc/86/88/08/561868808.db2.gz UDIOZAWKJLTRKM-YQAAHHDASA-N 1 1 715.936 4.630 1 0 KJAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000027553712 561868777 /nfs/dbraw/zinc/86/87/77/561868777.db2.gz SKJYBEQFKWHPED-BQGJQJSESA-N 1 1 529.725 4.520 1 0 KJAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)c1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000027554184 561868950 /nfs/dbraw/zinc/86/89/50/561868950.db2.gz NDKXLZAPCRVUMJ-VEJIKZNJSA-N 1 1 748.969 4.951 1 0 KJAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000027554341 561869117 /nfs/dbraw/zinc/86/91/17/561869117.db2.gz ZTHBXCVKBZPFQY-JSSJSZTNSA-N 1 1 677.246 4.629 1 0 KJAFMO CCCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1 ZINC000027559061 561870086 /nfs/dbraw/zinc/87/00/86/561870086.db2.gz FGQHYVMYRARACG-UHFFFAOYSA-N 1 1 568.653 4.694 1 0 KJAFMO CCOC(=O)c1c(CCc2[nH+]ccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027559765 561870480 /nfs/dbraw/zinc/87/04/80/561870480.db2.gz OXOIBLCATJHGLB-UHFFFAOYSA-N 1 1 505.571 4.632 1 0 KJAFMO CCOC1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027622364 561872633 /nfs/dbraw/zinc/87/26/33/561872633.db2.gz LDXKTSXBTWBIRA-MHZLTWQESA-N 1 1 508.534 4.839 1 0 KJAFMO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(Cc3ccccn3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027629300 561873501 /nfs/dbraw/zinc/87/35/01/561873501.db2.gz BJBKKKHDONJWDS-UHFFFAOYSA-N 1 1 573.145 4.671 1 0 KJAFMO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(Cc3cccnc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027629951 561873708 /nfs/dbraw/zinc/87/37/08/561873708.db2.gz CDAFOCZZOLXAMW-UHFFFAOYSA-N 1 1 573.145 4.671 1 0 KJAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1[NH2+]C12CC3CC(CC(C3)C1)C2)N(C)C ZINC000027631241 561873801 /nfs/dbraw/zinc/87/38/01/561873801.db2.gz OVDWIKNLVIYBHX-IMRFBZRSSA-N 1 1 501.715 4.951 1 0 KJAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1[NH2+]C12CC3CC(CC(C3)C1)C2)N(C)C ZINC000027631246 561873761 /nfs/dbraw/zinc/87/37/61/561873761.db2.gz OVDWIKNLVIYBHX-IBVMXPETSA-N 1 1 501.715 4.951 1 0 KJAFMO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(Cc3ccncc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027632064 561873993 /nfs/dbraw/zinc/87/39/93/561873993.db2.gz BMBRGXHCBMOLNP-UHFFFAOYSA-N 1 1 573.145 4.671 1 0 KJAFMO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(CC(=O)c3ccccc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027632493 561874003 /nfs/dbraw/zinc/87/40/03/561874003.db2.gz WHBXFIZUXGGOSG-UHFFFAOYSA-N 1 1 600.167 4.959 1 0 KJAFMO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(CC(=O)C(C)(C)C)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027634989 561874330 /nfs/dbraw/zinc/87/43/30/561874330.db2.gz XTCVGLXFDJQFHX-UHFFFAOYSA-N 1 1 580.177 4.691 1 0 KJAFMO CCOC(=O)C1=C(COCCNc2cc(NC)[nH+]cn2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027639674 561875171 /nfs/dbraw/zinc/87/51/71/561875171.db2.gz JJFCUKCUPBOGSF-QTANXNOISA-N 1 1 550.443 4.745 1 0 KJAFMO CCOC(=O)C1=C(COCCNc2cc(NC)[nH+]cn2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027639680 561875140 /nfs/dbraw/zinc/87/51/40/561875140.db2.gz JJFCUKCUPBOGSF-MUTZGBHFSA-N 1 1 550.443 4.745 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc(C)cn3)cc1)CC2 ZINC000027655909 561877507 /nfs/dbraw/zinc/87/75/07/561877507.db2.gz XBTORQNXODRZBR-UHFFFAOYSA-N 1 1 551.647 4.908 1 0 KJAFMO Cc1nc2cc3c4c(cccc4C(=O)N(CCN(C)CCC[N@@H+](C)CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656915 561877788 /nfs/dbraw/zinc/87/77/88/561877788.db2.gz AGVSNIPBBRXCTM-UHFFFAOYSA-N 1 1 656.747 4.508 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnccn3)cc1)CC2 ZINC000027707625 561879085 /nfs/dbraw/zinc/87/90/85/561879085.db2.gz IDZZHGHDXHPQLK-UHFFFAOYSA-N 1 1 537.620 4.599 1 0 KJAFMO Cc1ccc(C)c(C(=O)N[C@H](C)C(=O)N2CC[NH+](CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)c1 ZINC000027733153 561881402 /nfs/dbraw/zinc/88/14/02/561881402.db2.gz DVYOIDOBXJZJMP-XMMPIXPASA-N 1 1 591.728 4.957 1 0 KJAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCCC4)n3)c(F)c2)CC1 ZINC000027733817 561881550 /nfs/dbraw/zinc/88/15/50/561881550.db2.gz ZYECDSFAIRQISQ-JOCHJYFZSA-N 1 1 581.689 4.713 1 0 KJAFMO C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734029 561881538 /nfs/dbraw/zinc/88/15/38/561881538.db2.gz FDTSDHJOSLRTKF-OAQYLSRUSA-N 1 1 598.119 4.993 1 0 KJAFMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[NH+](CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)c1 ZINC000027734761 561881692 /nfs/dbraw/zinc/88/16/92/561881692.db2.gz FKFNPDWKMRHARB-HSZRJFAPSA-N 1 1 577.701 4.648 1 0 KJAFMO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734808 561881728 /nfs/dbraw/zinc/88/17/28/561881728.db2.gz ALNCEGZMYYLYMF-OAQYLSRUSA-N 1 1 598.119 4.993 1 0 KJAFMO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027734963 561881717 /nfs/dbraw/zinc/88/17/17/561881717.db2.gz CBNRXBOSORWJKD-JOCHJYFZSA-N 1 1 563.674 4.541 1 0 KJAFMO C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735396 561881768 /nfs/dbraw/zinc/88/17/68/561881768.db2.gz XNRKYLJLDJVTPO-OAQYLSRUSA-N 1 1 598.119 4.993 1 0 KJAFMO COc1ccc(C(=O)N[C@H](C)C(=O)N2CCC[N@@H+](CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1 ZINC000027735681 561881842 /nfs/dbraw/zinc/88/18/42/561881842.db2.gz NFAZKKMRAFRYGN-HSZRJFAPSA-N 1 1 607.727 4.739 1 0 KJAFMO CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(OCCC[N@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000027736777 561882040 /nfs/dbraw/zinc/88/20/40/561882040.db2.gz QPBWMZAPPPAVNA-AJTFRIOCSA-N 1 1 656.756 4.812 1 0 KJAFMO CC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(OCCC[N@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000027736784 561882055 /nfs/dbraw/zinc/88/20/55/561882055.db2.gz QPBWMZAPPPAVNA-AMGIVPHBSA-N 1 1 656.756 4.812 1 0 KJAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(C4CCCCC4)n3)c(F)c2)CC1 ZINC000027736831 561882020 /nfs/dbraw/zinc/88/20/20/561882020.db2.gz UYRJATNVESIING-OAQYLSRUSA-N 1 1 567.662 4.638 1 0 KJAFMO CC(C)CCC(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027737123 561882011 /nfs/dbraw/zinc/88/20/11/561882011.db2.gz NPOXRVVTJDQJOG-HSZRJFAPSA-N 1 1 571.738 4.853 1 0 KJAFMO C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027743365 561882780 /nfs/dbraw/zinc/88/27/80/561882780.db2.gz XJRXDJKXSDLZCA-JOCHJYFZSA-N 1 1 595.691 4.869 1 0 KJAFMO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027744044 561882763 /nfs/dbraw/zinc/88/27/63/561882763.db2.gz UGJHGPVSUBYPSF-JOCHJYFZSA-N 1 1 571.738 4.853 1 0 KJAFMO CCCCC(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027744252 561882740 /nfs/dbraw/zinc/88/27/40/561882740.db2.gz OQJFTCCJWPTBBU-JOCHJYFZSA-N 1 1 557.711 4.607 1 0 KJAFMO Cc1ccccc1C(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027744860 561882976 /nfs/dbraw/zinc/88/29/76/561882976.db2.gz LJHMLLJIVTYZAV-HSZRJFAPSA-N 1 1 577.701 4.648 1 0 KJAFMO C[C@@H](NC(=O)CC1CCCC1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027745839 561882954 /nfs/dbraw/zinc/88/29/54/561882954.db2.gz IQWJNZVQZKBYCX-JOCHJYFZSA-N 1 1 563.674 4.541 1 0 KJAFMO CC(C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027859864 561886898 /nfs/dbraw/zinc/88/68/98/561886898.db2.gz CNFABQCMMPFOSJ-FQLXRVMXSA-N 1 1 545.127 4.554 1 0 KJAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C ZINC000027862392 561887309 /nfs/dbraw/zinc/88/73/09/561887309.db2.gz VPKWAUQGXHGIAK-RPWUZVMVSA-N 1 1 575.731 4.620 1 0 KJAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C ZINC000027862392 561887308 /nfs/dbraw/zinc/88/73/08/561887308.db2.gz VPKWAUQGXHGIAK-RPWUZVMVSA-N 1 1 575.731 4.620 1 0 KJAFMO COc1cc2c(cc1S(=O)(=O)c1ccc([C@H](C)N3CC[N@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2 ZINC000027869659 561888030 /nfs/dbraw/zinc/88/80/30/561888030.db2.gz MCWUCXFVKUSMAV-RPBOFIJWSA-N 1 1 619.784 4.937 1 0 KJAFMO COc1cc2c(cc1S(=O)(=O)c1ccc([C@H](C)N3CC[N@@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2 ZINC000027869659 561888027 /nfs/dbraw/zinc/88/80/27/561888027.db2.gz MCWUCXFVKUSMAV-RPBOFIJWSA-N 1 1 619.784 4.937 1 0 KJAFMO COc1ccccc1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027869801 561888093 /nfs/dbraw/zinc/88/80/93/561888093.db2.gz BKXOTORSBCICHR-RPWUZVMVSA-N 1 1 605.757 4.629 1 0 KJAFMO COc1ccccc1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027869801 561888091 /nfs/dbraw/zinc/88/80/91/561888091.db2.gz BKXOTORSBCICHR-RPWUZVMVSA-N 1 1 605.757 4.629 1 0 KJAFMO Cc1ccccc1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027876262 561888688 /nfs/dbraw/zinc/88/86/88/561888688.db2.gz YXKPCWWWJNWLLV-RPBOFIJWSA-N 1 1 589.758 4.928 1 0 KJAFMO Cc1ccccc1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027876262 561888687 /nfs/dbraw/zinc/88/86/87/561888687.db2.gz YXKPCWWWJNWLLV-RPBOFIJWSA-N 1 1 589.758 4.928 1 0 KJAFMO CC(=O)Nc1ccccc1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027878757 561888932 /nfs/dbraw/zinc/88/89/32/561888932.db2.gz IHEAXWKBUIKJEB-RPWUZVMVSA-N 1 1 632.783 4.578 1 0 KJAFMO CC(=O)Nc1ccccc1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027878757 561888931 /nfs/dbraw/zinc/88/89/31/561888931.db2.gz IHEAXWKBUIKJEB-RPWUZVMVSA-N 1 1 632.783 4.578 1 0 KJAFMO COc1c2c(ccc1S(=O)(=O)c1ccc([C@H](C)N3CC[N@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2 ZINC000027880265 561889018 /nfs/dbraw/zinc/88/90/18/561889018.db2.gz UXPCSADFQCSLNA-RPBOFIJWSA-N 1 1 619.784 4.937 1 0 KJAFMO COc1c2c(ccc1S(=O)(=O)c1ccc([C@H](C)N3CC[N@@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2 ZINC000027880265 561889016 /nfs/dbraw/zinc/88/90/16/561889016.db2.gz UXPCSADFQCSLNA-RPBOFIJWSA-N 1 1 619.784 4.937 1 0 KJAFMO COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c2c1OCO2 ZINC000027880272 561889058 /nfs/dbraw/zinc/88/90/58/561889058.db2.gz HOCPKTIHXWPWAJ-RPBOFIJWSA-N 1 1 619.784 4.937 1 0 KJAFMO COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c2c1OCO2 ZINC000027880272 561889056 /nfs/dbraw/zinc/88/90/56/561889056.db2.gz HOCPKTIHXWPWAJ-RPBOFIJWSA-N 1 1 619.784 4.937 1 0 KJAFMO Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCC[NH3+])CC1)c1ccccc1NC2=O ZINC000027980971 561891650 /nfs/dbraw/zinc/89/16/50/561891650.db2.gz VUKZVSLUNFUKDS-UHFFFAOYSA-N 1 1 511.736 4.984 1 0 KJAFMO CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)N1CC[NH+](C)CC1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000027984293 561892068 /nfs/dbraw/zinc/89/20/68/561892068.db2.gz YEFCBTUORCACJZ-XMMPIXPASA-N 1 1 541.564 4.855 1 0 KJAFMO CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)N1CC[NH+](C)CC1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000027984299 561892072 /nfs/dbraw/zinc/89/20/72/561892072.db2.gz YEFCBTUORCACJZ-DEOSSOPVSA-N 1 1 541.564 4.855 1 0 KJAFMO CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)N1CC[NH+](C)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000027987273 561892492 /nfs/dbraw/zinc/89/24/92/561892492.db2.gz IEVNKALGIDLHRQ-MUUNZHRXSA-N 1 1 522.734 4.701 1 0 KJAFMO CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)N1CC[NH+](C)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000027987279 561892549 /nfs/dbraw/zinc/89/25/49/561892549.db2.gz IEVNKALGIDLHRQ-NDEPHWFRSA-N 1 1 522.734 4.701 1 0 KJAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)CC(C)C ZINC000027992405 561893181 /nfs/dbraw/zinc/89/31/81/561893181.db2.gz CHMMYAJJHWJWON-SVBPBHIXSA-N 1 1 523.718 4.850 1 0 KJAFMO CC[C@@H](C)[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000028000360 561894559 /nfs/dbraw/zinc/89/45/59/561894559.db2.gz SRIKSRIESRUOBY-ICTDUYRTSA-N 1 1 523.718 4.993 1 0 KJAFMO CC[C@H](C)[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000028000365 561894588 /nfs/dbraw/zinc/89/45/88/561894588.db2.gz SRIKSRIESRUOBY-CAVYSCNFSA-N 1 1 523.718 4.993 1 0 KJAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)C(C)C ZINC000028005307 561895294 /nfs/dbraw/zinc/89/52/94/561895294.db2.gz MYFQBOLGVURRKZ-UIOOFZCWSA-N 1 1 509.691 4.603 1 0 KJAFMO C[N@H+]1CCC[C@@H](OC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000028005772 561895511 /nfs/dbraw/zinc/89/55/11/561895511.db2.gz IBLLBUYPYLZUSC-ZJSXRUAMSA-N 1 1 533.898 4.534 1 0 KJAFMO C[N@H+]1CCC[C@H](OC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000028005776 561895502 /nfs/dbraw/zinc/89/55/02/561895502.db2.gz IBLLBUYPYLZUSC-XUZZJYLKSA-N 1 1 533.898 4.534 1 0 KJAFMO CCCC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000028006065 561895650 /nfs/dbraw/zinc/89/56/50/561895650.db2.gz LYTYYIKVZZVDKE-SVBPBHIXSA-N 1 1 523.718 4.994 1 0 KJAFMO Cc1ccsc1C(=O)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000028007133 561895767 /nfs/dbraw/zinc/89/57/67/561895767.db2.gz GAQCLBAGKXMBOI-UHFFFAOYSA-N 1 1 568.717 4.766 1 0 KJAFMO CC(=[NH2+])N1CCC(N(CCCC(=O)[O-])c2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028017011 561897510 /nfs/dbraw/zinc/89/75/10/561897510.db2.gz IEMHVSUULYOXPT-UHFFFAOYSA-N 1 1 539.684 4.963 1 0 KJAFMO C[NH+]1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021901 561898714 /nfs/dbraw/zinc/89/87/14/561898714.db2.gz HPSCLHCEPQQJNB-VXKWHMMOSA-N 1 1 560.686 4.841 1 0 KJAFMO C[NH+]1CCN(c2ccccc2Sc2ccc([C@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021907 561898722 /nfs/dbraw/zinc/89/87/22/561898722.db2.gz HPSCLHCEPQQJNB-YADHBBJMSA-N 1 1 560.686 4.841 1 0 KJAFMO C[NH+]1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021912 561898728 /nfs/dbraw/zinc/89/87/28/561898728.db2.gz HPSCLHCEPQQJNB-FCHUYYIVSA-N 1 1 560.686 4.841 1 0 KJAFMO C[NH+]1CCN(c2ccccc2Sc2ccc([C@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021917 561898711 /nfs/dbraw/zinc/89/87/11/561898711.db2.gz HPSCLHCEPQQJNB-FGZHOGPDSA-N 1 1 560.686 4.841 1 0 KJAFMO CC(=[NH2+])N1CCC(N(C[C@H](C)C(=O)[O-])c2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028087961 561899408 /nfs/dbraw/zinc/89/94/08/561899408.db2.gz QFVNCLWGZGECGE-IBGZPJMESA-N 1 1 539.684 4.819 1 0 KJAFMO CCOc1ccc(C2=N[C@@H]3[C@@]4(OC)C=C[C@@]5(C[C@@]24C)[C@@H]2Cc4ccc(OC)c(O)c4[C@]35CC[N@H+]2C)cc1 ZINC000028090467 561899827 /nfs/dbraw/zinc/89/98/27/561899827.db2.gz UBHZAZPYIIUMET-YRWSVXOMSA-N 1 1 500.639 4.520 1 0 in-vivo KJAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000028102803 561901960 /nfs/dbraw/zinc/90/19/60/561901960.db2.gz UJJBKAUOPDYSBC-OUYJLQGDSA-N 1 1 574.288 4.861 1 0 KJAFMO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000028102803 561901959 /nfs/dbraw/zinc/90/19/59/561901959.db2.gz UJJBKAUOPDYSBC-OUYJLQGDSA-N 1 1 574.288 4.861 1 0 KJAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc3ccccc31)N(C)[C@@H]2c1cccc2ccccc21 ZINC000028106653 561902315 /nfs/dbraw/zinc/90/23/15/561902315.db2.gz TXMXZMZUUUNETC-CUTKCQJKSA-N 1 1 536.628 4.554 1 0 KJAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccc3ccccc3c1)N(C)[C@@H]2c1ccc2ccccc2c1 ZINC000028108380 561902672 /nfs/dbraw/zinc/90/26/72/561902672.db2.gz LYVQZPNNQFAZIO-CUTKCQJKSA-N 1 1 536.628 4.554 1 0 KJAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028119206 561904267 /nfs/dbraw/zinc/90/42/67/561904267.db2.gz HGEYRNZLJKMQLY-FHFHAPQWSA-N 1 1 541.758 4.986 1 0 KJAFMO CN(C[C@](C)(CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028119211 561904261 /nfs/dbraw/zinc/90/42/61/561904261.db2.gz HGEYRNZLJKMQLY-IOHOYOPVSA-N 1 1 541.758 4.986 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000028125642 561905003 /nfs/dbraw/zinc/90/50/03/561905003.db2.gz VKCHGIQRDXGPSQ-VSGBNLITSA-N 1 1 571.688 4.739 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000028125642 561905001 /nfs/dbraw/zinc/90/50/01/561905001.db2.gz VKCHGIQRDXGPSQ-VSGBNLITSA-N 1 1 571.688 4.739 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000028125652 561904969 /nfs/dbraw/zinc/90/49/69/561904969.db2.gz VKCHGIQRDXGPSQ-IZLXSDGUSA-N 1 1 571.688 4.739 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000028125652 561904967 /nfs/dbraw/zinc/90/49/67/561904967.db2.gz VKCHGIQRDXGPSQ-IZLXSDGUSA-N 1 1 571.688 4.739 1 0 KJAFMO CCc1cc(NC(=O)NC[C@H]2C[N@@H+](CCc3ccc(F)cc3)CC[C@@H]2C(C)C)cc(-c2nnnn2C)c1 ZINC000028128867 561905341 /nfs/dbraw/zinc/90/53/41/561905341.db2.gz XDVVNMPNYGTIOU-JYFHCDHNSA-N 1 1 507.658 4.537 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC000028131807 561905781 /nfs/dbraw/zinc/90/57/81/561905781.db2.gz LDJHHVNOOGLYRV-KAYWLYCHSA-N 1 1 558.645 4.824 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC000028131812 561905822 /nfs/dbraw/zinc/90/58/22/561905822.db2.gz LDJHHVNOOGLYRV-SXOMAYOGSA-N 1 1 558.645 4.824 1 0 KJAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028131818 561905798 /nfs/dbraw/zinc/90/57/98/561905798.db2.gz ZPOGAAHIGIWSTJ-HTGHOQDLSA-N 1 1 559.776 4.821 1 0 KJAFMO CS(=O)(=O)N[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028132137 561905950 /nfs/dbraw/zinc/90/59/50/561905950.db2.gz VUAYHTLJMIUMTI-JIPXPUAJSA-N 1 1 575.562 4.629 1 0 KJAFMO CN(C(=O)CCCC(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000028132185 561905941 /nfs/dbraw/zinc/90/59/41/561905941.db2.gz XIDNOMAOWXFKDO-VSGBNLITSA-N 1 1 553.147 4.985 1 0 KJAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)CCCC(=O)c2ccc(Cl)cc2)C1)[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000028132192 561905935 /nfs/dbraw/zinc/90/59/35/561905935.db2.gz XIDNOMAOWXFKDO-IZLXSDGUSA-N 1 1 553.147 4.985 1 0 KJAFMO CN(C(=O)CCCC(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000028132198 561905912 /nfs/dbraw/zinc/90/59/12/561905912.db2.gz XIDNOMAOWXFKDO-WUFINQPMSA-N 1 1 553.147 4.985 1 0 KJAFMO CN(C(=O)CCCC(=O)c1ccc(Cl)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000028132205 561905929 /nfs/dbraw/zinc/90/59/29/561905929.db2.gz XIDNOMAOWXFKDO-NSOVKSMOSA-N 1 1 553.147 4.985 1 0 KJAFMO O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028133375 561906187 /nfs/dbraw/zinc/90/61/87/561906187.db2.gz OLDAFLYMLSMZEP-HHHXNRCGSA-N 1 1 536.673 4.548 1 0 KJAFMO CN(C[C@@H](CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028133653 561906176 /nfs/dbraw/zinc/90/61/76/561906176.db2.gz MRUDBBXMRPEBRY-CMTIAEDTSA-N 1 1 527.731 4.812 1 0 KJAFMO O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028134021 561906287 /nfs/dbraw/zinc/90/62/87/561906287.db2.gz QZYNTEFNIPJEJW-NDEPHWFRSA-N 1 1 584.639 4.856 1 0 KJAFMO CS(=O)(=O)NC[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028134067 561906313 /nfs/dbraw/zinc/90/63/13/561906313.db2.gz BJPMPSOWBXBZCM-ZJSXRUAMSA-N 1 1 589.589 4.876 1 0 KJAFMO O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028134588 561906353 /nfs/dbraw/zinc/90/63/53/561906353.db2.gz QZYNTEFNIPJEJW-MUUNZHRXSA-N 1 1 584.639 4.856 1 0 KJAFMO NC(=O)[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028135559 561906441 /nfs/dbraw/zinc/90/64/41/561906441.db2.gz PHFBPAXLTNFAAS-AUSIDOKSSA-N 1 1 525.480 4.812 1 0 KJAFMO Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(-c2nc3cc(C(=O)NCC[NH+]4CCSCC4)ccc3[nH]2)n(C)c1 ZINC000028250419 561911019 /nfs/dbraw/zinc/91/10/19/561911019.db2.gz KFTMGDLUPJYAOE-UHFFFAOYSA-N 1 1 651.218 4.905 1 0 KJAFMO NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCN[C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252299 561911093 /nfs/dbraw/zinc/91/10/93/561911093.db2.gz SXFVDYOXRIRODN-PSWAGMNNSA-N 1 1 536.680 4.598 1 0 KJAFMO NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252299 561911092 /nfs/dbraw/zinc/91/10/92/561911092.db2.gz SXFVDYOXRIRODN-PSWAGMNNSA-N 1 1 536.680 4.598 1 0 KJAFMO NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252306 561911111 /nfs/dbraw/zinc/91/11/11/561911111.db2.gz SXFVDYOXRIRODN-ZEQRLZLVSA-N 1 1 536.680 4.598 1 0 KJAFMO NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252311 561911139 /nfs/dbraw/zinc/91/11/39/561911139.db2.gz SXFVDYOXRIRODN-DNQXCXABSA-N 1 1 536.680 4.598 1 0 KJAFMO CSc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000028256853 561911636 /nfs/dbraw/zinc/91/16/36/561911636.db2.gz HRBWNWYAQSUCLJ-UHFFFAOYSA-N 1 1 536.648 4.603 1 0 KJAFMO CCc1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028330769 561912736 /nfs/dbraw/zinc/91/27/36/561912736.db2.gz TWQDEORCSVPDAX-GDLZYMKVSA-N 1 1 530.669 4.613 1 0 KJAFMO O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028333629 561913050 /nfs/dbraw/zinc/91/30/50/561913050.db2.gz MNVMBZDUYLRNPC-MHZLTWQESA-N 1 1 586.611 4.949 1 0 KJAFMO O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028333636 561913132 /nfs/dbraw/zinc/91/31/32/561913132.db2.gz MNVMBZDUYLRNPC-HHHXNRCGSA-N 1 1 586.611 4.949 1 0 KJAFMO CCc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3Cl)C2)cc(-c2nnnn2C)c1 ZINC000028337089 561913460 /nfs/dbraw/zinc/91/34/60/561913460.db2.gz IMIYWTMFIZBJJM-SFHVURJKSA-N 1 1 516.477 4.823 1 0 KJAFMO CCc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028338385 561913765 /nfs/dbraw/zinc/91/37/65/561913765.db2.gz TWQDEORCSVPDAX-LJAQVGFWSA-N 1 1 530.669 4.613 1 0 KJAFMO O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028341369 561914133 /nfs/dbraw/zinc/91/41/33/561914133.db2.gz OLDAFLYMLSMZEP-MHZLTWQESA-N 1 1 536.673 4.548 1 0 KJAFMO CCc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](CCc3ccc(C(F)(F)F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000028342596 561914313 /nfs/dbraw/zinc/91/43/13/561914313.db2.gz KXERXXCRZSCSRV-FQEVSTJZSA-N 1 1 515.584 4.535 1 0 KJAFMO COCC[N@@H+](C)Cc1ccccc1-c1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Cl)cn2)C(=O)N2CCCCC2)cc1 ZINC000028353511 561915955 /nfs/dbraw/zinc/91/59/55/561915955.db2.gz IPGKSXQOVKSOCC-NDEPHWFRSA-N 1 1 592.140 4.620 1 0 KJAFMO CO[C@@H]1C[C@@H](C(=S)N2CCC[N@@H+](C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028367070 561917676 /nfs/dbraw/zinc/91/76/76/561917676.db2.gz WWKGZIXZPOXUJL-RDGATRHJSA-N 1 1 604.242 4.648 1 0 KJAFMO O=C(CN(CCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)c1ccc(O)cc1O)NC1CCCCC1 ZINC000028368379 561917908 /nfs/dbraw/zinc/91/79/08/561917908.db2.gz POLJHMWIAMOHOG-UHFFFAOYSA-N 1 1 511.022 4.693 1 0 KJAFMO Cc1cc(C(=O)N2CCCCc3sccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCC[N@H+](C)CC1 ZINC000028371532 561918460 /nfs/dbraw/zinc/91/84/60/561918460.db2.gz UEYPDGNEHOFINV-VWLOTQADSA-N 1 1 553.798 4.679 1 0 KJAFMO COCC[N@@H+](C)Cc1ccccc1-c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCCC2)cc1 ZINC000028372362 561918599 /nfs/dbraw/zinc/91/85/99/561918599.db2.gz DPROMYPNLAQOTF-MUUNZHRXSA-N 1 1 636.591 4.729 1 0 KJAFMO C[N@@H+](CCc1ccccn1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028373416 561918742 /nfs/dbraw/zinc/91/87/42/561918742.db2.gz FJWOXGHISFSVOD-VSJLXWSYSA-N 1 1 651.255 4.500 1 0 KJAFMO COCC[N@@H+](C)Cc1ccccc1-c1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCCC2)cc1 ZINC000028374637 561918956 /nfs/dbraw/zinc/91/89/56/561918956.db2.gz DPROMYPNLAQOTF-NDEPHWFRSA-N 1 1 636.591 4.729 1 0 KJAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4coc(-c5ccc(C(F)(F)F)cc5)n4)CC3)ccc2s1 ZINC000028374839 561918967 /nfs/dbraw/zinc/91/89/67/561918967.db2.gz LKWWXRBXCVROKU-OAQYLSRUSA-N 1 1 532.588 4.836 1 0 KJAFMO Cc1nc2cc(OC[C@H](O)C[N@@H+]3CCN(Cc4noc(-c5ccc(Cl)cc5Cl)n4)C[C@@H]3C)ccc2s1 ZINC000028374846 561919115 /nfs/dbraw/zinc/91/91/15/561919115.db2.gz PLGJMSIIMZDAQM-MAUKXSAKSA-N 1 1 548.496 4.908 1 0 KJAFMO Cc1nc2cc(OC[C@H](O)C[N@H+]3CCN(Cc4noc(-c5ccc(Cl)cc5Cl)n4)C[C@@H]3C)ccc2s1 ZINC000028374846 561919112 /nfs/dbraw/zinc/91/91/12/561919112.db2.gz PLGJMSIIMZDAQM-MAUKXSAKSA-N 1 1 548.496 4.908 1 0 KJAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)s1 ZINC000028376380 561919229 /nfs/dbraw/zinc/91/92/29/561919229.db2.gz CPTTYKNXUVQTGN-UHFFFAOYSA-N 1 1 538.282 4.992 1 0 KJAFMO COCC[N@@H+](C)Cc1ccccc1-c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Cl)cn2)C(=O)N2CCCCC2)cc1 ZINC000028377015 561919339 /nfs/dbraw/zinc/91/93/39/561919339.db2.gz IPGKSXQOVKSOCC-MUUNZHRXSA-N 1 1 592.140 4.620 1 0 KJAFMO Cc1ccccc1C(O)(CC[N@H+]1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1C ZINC000028378900 561919889 /nfs/dbraw/zinc/91/98/89/561919889.db2.gz SBYNPLQZHLMBFH-UHFFFAOYSA-N 1 1 506.712 4.541 1 0 KJAFMO COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1 ZINC000028385053 561920946 /nfs/dbraw/zinc/92/09/46/561920946.db2.gz KLYBPNHUSHFSOF-WJOKGBTCSA-N 1 1 518.721 4.917 1 0 KJAFMO COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1 ZINC000028385060 561920953 /nfs/dbraw/zinc/92/09/53/561920953.db2.gz KLYBPNHUSHFSOF-HKBQPEDESA-N 1 1 518.721 4.917 1 0 KJAFMO CN1CCN(CCC[N@@H+](C)CC[C@@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028387475 561921361 /nfs/dbraw/zinc/92/13/61/561921361.db2.gz SOEPONMIESQTFA-OAQYLSRUSA-N 1 1 613.146 4.985 1 0 KJAFMO CN1CCN(CCC[N@H+](C)CC[C@@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028387475 561921359 /nfs/dbraw/zinc/92/13/59/561921359.db2.gz SOEPONMIESQTFA-OAQYLSRUSA-N 1 1 613.146 4.985 1 0 KJAFMO CN1CCN(CCC[N@@H+](C)CC[C@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028387480 561921406 /nfs/dbraw/zinc/92/14/06/561921406.db2.gz SOEPONMIESQTFA-NRFANRHFSA-N 1 1 613.146 4.985 1 0 KJAFMO CN1CCN(CCC[N@H+](C)CC[C@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028387480 561921404 /nfs/dbraw/zinc/92/14/04/561921404.db2.gz SOEPONMIESQTFA-NRFANRHFSA-N 1 1 613.146 4.985 1 0 KJAFMO Cc1nc2ccc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@@H](C(=O)N5CCNCC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)cc2nc1C ZINC000028387888 561921577 /nfs/dbraw/zinc/92/15/77/561921577.db2.gz GSYGFEHCMLGMNU-PSXMRANNSA-N 1 1 689.817 4.992 1 0 KJAFMO Cc1nc2ccc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@H](C(=O)N5CCNCC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)cc2nc1C ZINC000028387893 561921518 /nfs/dbraw/zinc/92/15/18/561921518.db2.gz GSYGFEHCMLGMNU-BHVANESWSA-N 1 1 689.817 4.992 1 0 KJAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4cnc5ccccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028387899 561921487 /nfs/dbraw/zinc/92/14/87/561921487.db2.gz AUCSCQILJBSQDX-PGUFJCEWSA-N 1 1 660.775 4.981 1 0 KJAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4cnc5ccccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028387906 561921571 /nfs/dbraw/zinc/92/15/71/561921571.db2.gz AUCSCQILJBSQDX-DHUJRADRSA-N 1 1 660.775 4.981 1 0 KJAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4noc(-c5ccc(C(C)(C)C)cc5)n4)CC3)ccc2s1 ZINC000028388416 561921694 /nfs/dbraw/zinc/92/16/94/561921694.db2.gz OHWGXPPFFAZOQL-JOCHJYFZSA-N 1 1 521.687 4.510 1 0 KJAFMO C[NH+]1CCN(CCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028389235 561921907 /nfs/dbraw/zinc/92/19/07/561921907.db2.gz MMCCUBIFCATHKP-UHFFFAOYSA-N 1 1 540.007 4.872 1 0 KJAFMO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000028389343 561921974 /nfs/dbraw/zinc/92/19/74/561921974.db2.gz JJIXIBXVNRLVOZ-IBGZPJMESA-N 1 1 606.070 4.941 1 0 KJAFMO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000028389348 561921881 /nfs/dbraw/zinc/92/18/81/561921881.db2.gz JJIXIBXVNRLVOZ-LJQANCHMSA-N 1 1 606.070 4.941 1 0 KJAFMO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000028389527 561921896 /nfs/dbraw/zinc/92/18/96/561921896.db2.gz LSPCJCFVFNXAAW-KRWDZBQOSA-N 1 1 542.023 4.576 1 0 KJAFMO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)CN1CC[NH+](C)CC1 ZINC000028389532 561921937 /nfs/dbraw/zinc/92/19/37/561921937.db2.gz LSPCJCFVFNXAAW-QGZVFWFLSA-N 1 1 542.023 4.576 1 0 KJAFMO COc1cc(NC(=O)Nc2cccc(Oc3ccccc3)c2)ccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000028389900 561922124 /nfs/dbraw/zinc/92/21/24/561922124.db2.gz KCKIWWYHRZPHRB-UHFFFAOYSA-N 1 1 504.587 4.584 1 0 KJAFMO CC(C)(C)c1[nH]c2c(cc(C(C)(C)C)cc2C(C)(C)C)c1C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000028392669 561922596 /nfs/dbraw/zinc/92/25/96/561922596.db2.gz KSIUSJBKRYTXHB-NSOVKSMOSA-N 1 1 617.883 4.995 1 0 KJAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4noc(-c5ccc(Cl)cc5Cl)n4)CC3)ccc2s1 ZINC000028392783 561922654 /nfs/dbraw/zinc/92/26/54/561922654.db2.gz FNBDBCKSGVMDQY-QGZVFWFLSA-N 1 1 534.469 4.519 1 0 KJAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5ncccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028394433 561922923 /nfs/dbraw/zinc/92/29/23/561922923.db2.gz ZVHXRUBELAAPON-PGUFJCEWSA-N 1 1 660.775 4.981 1 0 KJAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5ncccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028394438 561922946 /nfs/dbraw/zinc/92/29/46/561922946.db2.gz ZVHXRUBELAAPON-DHUJRADRSA-N 1 1 660.775 4.981 1 0 KJAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4noc(-c5ccc(Cl)c(Cl)c5)n4)CC3)ccc2s1 ZINC000028394629 561922973 /nfs/dbraw/zinc/92/29/73/561922973.db2.gz CMUBWDRNMGZFBX-QGZVFWFLSA-N 1 1 534.469 4.519 1 0 KJAFMO Cc1nc2cc(OC[C@H](O)C[N@@H+]3CCN(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)C[C@@H]3C)ccc2s1 ZINC000028394866 561922933 /nfs/dbraw/zinc/92/29/33/561922933.db2.gz AICXVAPPRIPRMH-OXJNMPFZSA-N 1 1 547.603 4.620 1 0 KJAFMO Cc1nc2cc(OC[C@H](O)C[N@H+]3CCN(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)C[C@@H]3C)ccc2s1 ZINC000028394866 561922931 /nfs/dbraw/zinc/92/29/31/561922931.db2.gz AICXVAPPRIPRMH-OXJNMPFZSA-N 1 1 547.603 4.620 1 0 KJAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)C4CCCCC4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028396211 561923141 /nfs/dbraw/zinc/92/31/41/561923141.db2.gz NZKUPXZODJAUPV-JGCGQSQUSA-N 1 1 615.775 4.699 1 0 KJAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)C4CCCCC4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028396215 561923194 /nfs/dbraw/zinc/92/31/94/561923194.db2.gz NZKUPXZODJAUPV-YTTGMZPUSA-N 1 1 615.775 4.699 1 0 KJAFMO COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000028397277 561923261 /nfs/dbraw/zinc/92/32/61/561923261.db2.gz DPKKQWUCQYEZKT-UHFFFAOYSA-N 1 1 561.708 4.705 1 0 KJAFMO CCCOc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N)c2cc1OCCC ZINC000028457418 561924214 /nfs/dbraw/zinc/92/42/14/561924214.db2.gz KXPUEITXEVAXKS-UHFFFAOYSA-N 1 1 561.708 4.968 1 0 KJAFMO CCCCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(N)c5cc(OC)c(OC)cc5[nH+]4)CC3)cc2)cc1 ZINC000028458138 561924420 /nfs/dbraw/zinc/92/44/20/561924420.db2.gz ZISSFAUUTAZRSM-UHFFFAOYSA-N 1 1 561.708 4.750 1 0 KJAFMO CC(C)Oc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N)c2cc1OC(C)C ZINC000028458353 561924437 /nfs/dbraw/zinc/92/44/37/561924437.db2.gz KIXNWUNXVDGONS-UHFFFAOYSA-N 1 1 561.708 4.964 1 0 KJAFMO C[N@H+]1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 ZINC000028460714 561925036 /nfs/dbraw/zinc/92/50/36/561925036.db2.gz ARFBDECCXOFCBN-BENTYHEHSA-N 1 1 582.805 4.687 1 0 KJAFMO COc1ccc(C[C@@H]2[C@H](OC(=O)N3CC[NH+](C)CC3)[C@@H](O)CN2C(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1 ZINC000028461292 561925283 /nfs/dbraw/zinc/92/52/83/561925283.db2.gz IMROUCNHAFGXPE-USZFVNFHSA-N 1 1 622.040 4.808 1 0 KJAFMO C[N@H+]1C[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 ZINC000028462315 561925514 /nfs/dbraw/zinc/92/55/14/561925514.db2.gz ARFBDECCXOFCBN-KULMNKMISA-N 1 1 582.805 4.687 1 0 KJAFMO CN(C)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000028465989 561926188 /nfs/dbraw/zinc/92/61/88/561926188.db2.gz HFELCWNEBIIAEQ-UHFFFAOYSA-N 1 1 561.527 4.886 1 0 KJAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2[nH]cnc2c1 ZINC000028470497 561926897 /nfs/dbraw/zinc/92/68/97/561926897.db2.gz NJDZPWMNEMKDBB-IBGZPJMESA-N 1 1 500.474 4.976 1 0 KJAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2[nH]cnc2c1 ZINC000028470501 561926855 /nfs/dbraw/zinc/92/68/55/561926855.db2.gz NJDZPWMNEMKDBB-LJQANCHMSA-N 1 1 500.474 4.976 1 0 KJAFMO COc1ccc2c(c1-c1cc(OC)c(OC)c(OC)c1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000028472938 561927234 /nfs/dbraw/zinc/92/72/34/561927234.db2.gz BOKRMEFRXBOAKM-FTJBHMTQSA-N 1 1 549.576 4.566 1 0 KJAFMO COc1ccc2c(c1-c1cc(OC)c(OC)c(OC)c1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000028472938 561927231 /nfs/dbraw/zinc/92/72/31/561927231.db2.gz BOKRMEFRXBOAKM-FTJBHMTQSA-N 1 1 549.576 4.566 1 0 KJAFMO CC(C)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028477248 561928498 /nfs/dbraw/zinc/92/84/98/561928498.db2.gz VVUROZYJZFCFFO-HOFKKMOUSA-N 1 1 563.570 4.859 1 0 KJAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(n3cnc(=O)c4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028478067 561928736 /nfs/dbraw/zinc/92/87/36/561928736.db2.gz MEWQRNOJALRNOU-GHQLXFMHSA-N 1 1 528.697 4.783 1 0 KJAFMO N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028520501 561928955 /nfs/dbraw/zinc/92/89/55/561928955.db2.gz YFNSNDGQKLOJEG-XMMPIXPASA-N 1 1 517.526 4.606 1 0 KJAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028520604 561928911 /nfs/dbraw/zinc/92/89/11/561928911.db2.gz MYLXMKJPWQSBJE-DKRHUIDYSA-N 1 1 501.675 4.817 1 0 KJAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028520913 561929033 /nfs/dbraw/zinc/92/90/33/561929033.db2.gz DSHOLSFIYBAMKG-IHTKTJBKSA-N 1 1 516.686 4.716 1 0 KJAFMO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028520913 561929032 /nfs/dbraw/zinc/92/90/32/561929032.db2.gz DSHOLSFIYBAMKG-IHTKTJBKSA-N 1 1 516.686 4.716 1 0 KJAFMO O=C(Oc1cccc2c3c([nH]c21)[C@H]1Oc2c4c(ccc2O)C[C@H]2[N@H+](CC5CC5)CC[C@]41[C@@]2(O)C3)c1ccccc1 ZINC000028521587 561929276 /nfs/dbraw/zinc/92/92/76/561929276.db2.gz SLGSSMYMICBOSP-QZOULDPWSA-N 1 1 534.612 4.792 1 0 KJAFMO COc1ccc2c(c1-c1ccc(N(C)C)cc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000028521735 561929465 /nfs/dbraw/zinc/92/94/65/561929465.db2.gz YWKJDNGQMRFDJF-FTJBHMTQSA-N 1 1 502.567 4.606 1 0 KJAFMO COc1ccc2c(c1-c1ccc(N(C)C)cc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000028521735 561929464 /nfs/dbraw/zinc/92/94/64/561929464.db2.gz YWKJDNGQMRFDJF-FTJBHMTQSA-N 1 1 502.567 4.606 1 0 KJAFMO O=C(Oc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]3O5)c1ccccc1 ZINC000028522458 561929550 /nfs/dbraw/zinc/92/95/50/561929550.db2.gz BYORKABZAJJLNM-TZKLVDRNSA-N 1 1 534.612 4.792 1 0 KJAFMO O=C(Oc1ccc2c(c1)[nH]c1c2C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H]1O5)c1ccccc1 ZINC000028522684 561929519 /nfs/dbraw/zinc/92/95/19/561929519.db2.gz YDIVJSMBPBAXTA-TZKLVDRNSA-N 1 1 534.612 4.792 1 0 KJAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(n3cnc4ccccc4c3=O)CC2)[C@@H](c2ccccc2)C1 ZINC000028523060 561929793 /nfs/dbraw/zinc/92/97/93/561929793.db2.gz XIFCSFGJWSMGDJ-GHQLXFMHSA-N 1 1 528.697 4.783 1 0 KJAFMO O=C(Oc1cccc2[nH]c3c(c21)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]3O5)c1ccccc1 ZINC000028523991 561930589 /nfs/dbraw/zinc/93/05/89/561930589.db2.gz MRKLHNJPXVBQFT-QZOULDPWSA-N 1 1 534.612 4.792 1 0 KJAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(n3nnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028524459 561930879 /nfs/dbraw/zinc/93/08/79/561930879.db2.gz QISMFKACLOKXEM-IHTKTJBKSA-N 1 1 501.675 4.817 1 0 KJAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028525507 561931363 /nfs/dbraw/zinc/93/13/63/561931363.db2.gz CFTVRLVKUCECGP-DKRHUIDYSA-N 1 1 501.675 4.817 1 0 KJAFMO O=C(Cc1cccs1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529149 561933682 /nfs/dbraw/zinc/93/36/82/561933682.db2.gz GLOLGMGZBHQONG-SSEXGKCCSA-N 1 1 621.247 4.878 1 0 KJAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3Cc4ccccc4N3)CC2)CCCCC1 ZINC000028529255 561933935 /nfs/dbraw/zinc/93/39/35/561933935.db2.gz MKJINNZJGZZYPA-JHOUSYSJSA-N 1 1 642.244 4.610 1 0 KJAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4N3)CC2)CCCCC1 ZINC000028529258 561933928 /nfs/dbraw/zinc/93/39/28/561933928.db2.gz MKJINNZJGZZYPA-CZNDPXEESA-N 1 1 642.244 4.610 1 0 KJAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)c3ccccc3)CC2)CCCCC1 ZINC000028529294 561933966 /nfs/dbraw/zinc/93/39/66/561933966.db2.gz KBLJNFPVVVGGHT-WJOKGBTCSA-N 1 1 601.191 4.887 1 0 KJAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)Cc3ccccc3F)CC2)CCCCC1 ZINC000028529315 561934044 /nfs/dbraw/zinc/93/40/44/561934044.db2.gz OQGJGGUPVBULFI-JGCGQSQUSA-N 1 1 633.208 4.955 1 0 KJAFMO CC(C)COC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529792 561934317 /nfs/dbraw/zinc/93/43/17/561934317.db2.gz PYEFOKBWYKTDTP-GDLZYMKVSA-N 1 1 597.200 4.839 1 0 KJAFMO CC(C)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529841 561934387 /nfs/dbraw/zinc/93/43/87/561934387.db2.gz FIWWBPRAMLSHCJ-GDLZYMKVSA-N 1 1 581.201 4.619 1 0 KJAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3CCCC3)CC2)CCCCC1 ZINC000028529977 561934414 /nfs/dbraw/zinc/93/44/14/561934414.db2.gz OBSDVVFBNIQZHH-SSEXGKCCSA-N 1 1 593.212 4.764 1 0 KJAFMO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)cc(OC4CCOCC4)c32)c1 ZINC000028563876 561935503 /nfs/dbraw/zinc/93/55/03/561935503.db2.gz UKFYOXMBPXQXJR-UHFFFAOYSA-N 1 1 529.037 4.694 1 0 KJAFMO Cc1cc(NC(=O)CC[NH+]2CCOCC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 ZINC000028567539 561936819 /nfs/dbraw/zinc/93/68/19/561936819.db2.gz JSTRBBFHRKOOAS-UHFFFAOYSA-N 1 1 572.008 4.836 1 0 KJAFMO C/C(=C\C[NH+]1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1)CN1C(=O)CCc2ccccc21 ZINC000028568123 561937096 /nfs/dbraw/zinc/93/70/96/561937096.db2.gz PKOUVYCYGDKEDL-YBFXNURJSA-N 1 1 501.597 4.841 1 0 KJAFMO COc1cc2c(cc1OC)N(CCCC[NH+]1CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC1)C(=O)CCC2=O ZINC000028568188 561937229 /nfs/dbraw/zinc/93/72/29/561937229.db2.gz KTJXBGFKGUUNHP-UHFFFAOYSA-N 1 1 577.648 4.722 1 0 KJAFMO CC(C)(C)c1nc(N2CC[NH+](CCCCN3c4ccccc4C(=O)CCC3=O)CC2)cc(C(F)(F)F)n1 ZINC000028568198 561937231 /nfs/dbraw/zinc/93/72/31/561937231.db2.gz FKHBHNWGBJHKGW-UHFFFAOYSA-N 1 1 517.596 4.705 1 0 in-vivo KJAFMO COc1cc2c(cc1OCCC[N@H+]1CCC[C@H]1CO)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2F)s1 ZINC000028568429 561937290 /nfs/dbraw/zinc/93/72/90/561937290.db2.gz DYAYBUDFGBTDNI-KRWDZBQOSA-N 1 1 584.649 4.524 1 0 KJAFMO CCN(C(=O)Cc1cnc(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)c(OC)cc32)s1)c1ccccc1 ZINC000028568615 561937366 /nfs/dbraw/zinc/93/73/66/561937366.db2.gz UCPDUMRVOIJGJU-UHFFFAOYSA-N 1 1 562.696 4.535 1 0 KJAFMO COc1cccc([C@@H](c2ccc3c(c2)C[N@H+](CC(=O)[O-])CC3)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568852 561937493 /nfs/dbraw/zinc/93/74/93/561937493.db2.gz VZHGAQSLJSYVIX-FXZPAHAQSA-N 1 1 513.682 4.822 1 0 KJAFMO COc1cccc([C@@H](c2ccc3c(c2)C[N@@H+](CC(=O)[O-])CC3)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568852 561937492 /nfs/dbraw/zinc/93/74/92/561937492.db2.gz VZHGAQSLJSYVIX-FXZPAHAQSA-N 1 1 513.682 4.822 1 0 KJAFMO COc1cccc([C@@H](c2ccc3c(c2)C[NH+](CC(=O)[O-])CC3)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568852 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CC(C)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)S(C)(=O)=O ZINC000028570729 561939020 /nfs/dbraw/zinc/93/90/20/561939020.db2.gz WRXWCWIFEFKMJL-ROJLCIKYSA-N 1 1 657.321 4.941 1 0 KJAFMO CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CC[N@@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028571202 561939271 /nfs/dbraw/zinc/93/92/71/561939271.db2.gz FMWQNIIEHDXZKU-GDFYOEGCSA-N 1 1 539.095 4.907 1 0 KJAFMO CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CC[N@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028571202 561939269 /nfs/dbraw/zinc/93/92/69/561939269.db2.gz FMWQNIIEHDXZKU-GDFYOEGCSA-N 1 1 539.095 4.907 1 0 KJAFMO CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CC[N@@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028571203 561939255 /nfs/dbraw/zinc/93/92/55/561939255.db2.gz FMWQNIIEHDXZKU-HZVPBQBQSA-N 1 1 539.095 4.907 1 0 KJAFMO CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CC[N@H+](C)C[C@@H]3F)C2=O)CC1 ZINC000028571203 561939254 /nfs/dbraw/zinc/93/92/54/561939254.db2.gz FMWQNIIEHDXZKU-HZVPBQBQSA-N 1 1 539.095 4.907 1 0 KJAFMO CN1CC[NH+](CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3c(OC3CCOCC3)c2)CC1 ZINC000028571655 561939387 /nfs/dbraw/zinc/93/93/87/561939387.db2.gz UYNGIWGAHXGANL-UHFFFAOYSA-N 1 1 530.044 4.740 1 0 KJAFMO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)OCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc12 ZINC000028603999 561940450 /nfs/dbraw/zinc/94/04/50/561940450.db2.gz RCSMPRZXADOTLA-PLQXJYEYSA-N 1 1 622.788 4.779 1 0 KJAFMO C[NH+]1CCN(C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)CC1 ZINC000028638132 561941966 /nfs/dbraw/zinc/94/19/66/561941966.db2.gz MNKKAPAIYKSWJT-NDEPHWFRSA-N 1 1 555.679 4.622 1 0 KJAFMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000028640004 561942693 /nfs/dbraw/zinc/94/26/93/561942693.db2.gz NLJOOSJKPUUCDY-UHFFFAOYSA-N 1 1 530.673 4.986 1 0 KJAFMO C[N@@H+](CCCNC(=O)c1ccc(-n2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)Cc1ccccc1 ZINC000028640295 561942701 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561948364 /nfs/dbraw/zinc/94/83/64/561948364.db2.gz XVDLNIRTXGRRQZ-DHIUTWEWSA-N 1 1 520.095 4.841 1 0 KJAFMO C[N@H+]1CCC[C@H]1CCNC(=O)OCCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704169 561948349 /nfs/dbraw/zinc/94/83/49/561948349.db2.gz XVDLNIRTXGRRQZ-XZOQPEGZSA-N 1 1 520.095 4.841 1 0 KJAFMO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)c(OC)c1 ZINC000028705653 561949131 /nfs/dbraw/zinc/94/91/31/561949131.db2.gz QCDAJYORYPWZMU-BNHRFMORSA-N 1 1 683.785 4.760 1 0 KJAFMO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)c(OC)c1 ZINC000028705656 561949167 /nfs/dbraw/zinc/94/91/67/561949167.db2.gz QCDAJYORYPWZMU-QNLPTKCRSA-N 1 1 683.785 4.760 1 0 KJAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)[C@H]4CC[N@@H+](Cc5ccccc5)C4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706590 561949799 /nfs/dbraw/zinc/94/97/99/561949799.db2.gz BKOPWXFJVJIOMD-XGNZJKERSA-N 1 1 591.774 4.537 1 0 KJAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)[C@@H]4CC[N@@H+](Cc5ccccc5)C4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706595 561949769 /nfs/dbraw/zinc/94/97/69/561949769.db2.gz BKOPWXFJVJIOMD-KPNCYPGSSA-N 1 1 591.774 4.537 1 0 KJAFMO CCc1ccc(S(=O)(=O)N[C@H]2c3cc(C(=O)N(CC)[C@H]4CC[N@@H+](Cc5ccccc5)C4)ccc3OC(C)(C)[C@@H]2O)cc1 ZINC000028706845 561949774 /nfs/dbraw/zinc/94/97/74/561949774.db2.gz BKOPWXFJVJIOMD-HOSFBAFGSA-N 1 1 591.774 4.537 1 0 KJAFMO CCc1ccc(S(=O)(=O)N[C@H]2c3cc(C(=O)N(CC)[C@@H]4CC[N@@H+](Cc5ccccc5)C4)ccc3OC(C)(C)[C@@H]2O)cc1 ZINC000028706849 561949823 /nfs/dbraw/zinc/94/98/23/561949823.db2.gz BKOPWXFJVJIOMD-SATCGAIXSA-N 1 1 591.774 4.537 1 0 KJAFMO O=C(NCC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000028711329 561951780 /nfs/dbraw/zinc/95/17/80/561951780.db2.gz RJAHNHBPWHWZAB-QFIPXVFZSA-N 1 1 510.465 4.868 1 0 KJAFMO O=C(NCC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000028711330 561951839 /nfs/dbraw/zinc/95/18/39/561951839.db2.gz RJAHNHBPWHWZAB-JOCHJYFZSA-N 1 1 510.465 4.868 1 0 KJAFMO O=C(NC[C@@H](O)CC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000028711343 561951931 /nfs/dbraw/zinc/95/19/31/561951931.db2.gz RUZJOGYMPJWMOY-QFIPXVFZSA-N 1 1 510.465 4.868 1 0 KJAFMO O=C(NC[C@H](O)CC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000028711344 561951977 /nfs/dbraw/zinc/95/19/77/561951977.db2.gz RUZJOGYMPJWMOY-JOCHJYFZSA-N 1 1 510.465 4.868 1 0 KJAFMO COc1ccc(CC[N@H+]2CCC[C@H]2CNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC ZINC000028714004 561954428 /nfs/dbraw/zinc/95/44/28/561954428.db2.gz MRHYRUNEBSENJS-VWLOTQADSA-N 1 1 538.648 4.941 1 0 KJAFMO COc1ccc(CC[N@H+]2CCC[C@@H]2CNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC ZINC000028714005 561954411 /nfs/dbraw/zinc/95/44/11/561954411.db2.gz MRHYRUNEBSENJS-RUZDIDTESA-N 1 1 538.648 4.941 1 0 KJAFMO CCOC(=O)CCC(=O)N(C/C=C/c1cc(C(N)=[NH2+])ccc1[O-])c1ccc(OC2CCN(C(C)=[NH2+])CC2)c(C(F)(F)F)c1 ZINC000028758353 561957255 /nfs/dbraw/zinc/95/72/55/561957255.db2.gz RTTQFIGRYFHGSR-YMPLOWLPSA-N 1 1 603.642 4.925 1 0 KJAFMO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)C[C@@H]1OCc1ccccc1 ZINC000028769964 561961006 /nfs/dbraw/zinc/96/10/06/561961006.db2.gz WOIHTIAABRGFIJ-SYEZAVJTSA-N 1 1 562.711 4.882 1 0 KJAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2c1 ZINC000028817479 561964976 /nfs/dbraw/zinc/96/49/76/561964976.db2.gz APGDOAHBERAUPM-HNNXBMFYSA-N 1 1 564.465 4.523 1 0 KJAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2c1 ZINC000028817480 561964882 /nfs/dbraw/zinc/96/48/82/561964882.db2.gz APGDOAHBERAUPM-OAHLLOKOSA-N 1 1 564.465 4.523 1 0 KJAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3C(F)(F)F)SCC(=O)N5)C4)c2c1 ZINC000028817486 561964937 /nfs/dbraw/zinc/96/49/37/561964937.db2.gz NBKJWJYGDAGZJA-HNNXBMFYSA-N 1 1 553.566 4.779 1 0 KJAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3C(F)(F)F)SCC(=O)N5)C4)c2c1 ZINC000028817487 561964900 /nfs/dbraw/zinc/96/49/00/561964900.db2.gz NBKJWJYGDAGZJA-OAHLLOKOSA-N 1 1 553.566 4.779 1 0 KJAFMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N2CC[C@H](n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)C2)C1 ZINC000028818477 561965264 /nfs/dbraw/zinc/96/52/64/561965264.db2.gz RHEIAZQERJIKFS-PMACEKPBSA-N 1 1 500.068 4.560 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C2CCC2)C1 ZINC000028818482 561965210 /nfs/dbraw/zinc/96/52/10/561965210.db2.gz UOCKASIVRXARLO-SFTDATJTSA-N 1 1 512.079 4.704 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000028818496 561965240 /nfs/dbraw/zinc/96/52/40/561965240.db2.gz RFBOPCUCOYYXLV-SFTDATJTSA-N 1 1 512.079 4.561 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000028818504 561965238 /nfs/dbraw/zinc/96/52/38/561965238.db2.gz JJJKKFREMVFRMZ-VXKWHMMOSA-N 1 1 538.073 4.945 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000028818504 561965237 /nfs/dbraw/zinc/96/52/37/561965237.db2.gz JJJKKFREMVFRMZ-VXKWHMMOSA-N 1 1 538.073 4.945 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000028818522 561965398 /nfs/dbraw/zinc/96/53/98/561965398.db2.gz LJLZPSQRAPUBTC-GOTSBHOMSA-N 1 1 556.132 4.578 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000028818524 561965348 /nfs/dbraw/zinc/96/53/48/561965348.db2.gz XPHYZINAPPVGJK-ZEQRLZLVSA-N 1 1 570.159 4.968 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](CC(=O)C(C)(C)C)C1 ZINC000028818526 561965330 /nfs/dbraw/zinc/96/53/30/561965330.db2.gz GMHQJBKYAGURAB-SFTDATJTSA-N 1 1 556.132 4.767 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](CC(=O)C(C)(C)C)C1 ZINC000028818526 561965329 /nfs/dbraw/zinc/96/53/29/561965329.db2.gz GMHQJBKYAGURAB-SFTDATJTSA-N 1 1 556.132 4.767 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(C(F)(F)F)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000028818557 561965394 /nfs/dbraw/zinc/96/53/94/561965394.db2.gz COXWWZLQFCHTMQ-VXKWHMMOSA-N 1 1 575.657 4.696 1 0 KJAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(OC(F)(F)F)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000028818561 561965420 /nfs/dbraw/zinc/96/54/20/561965420.db2.gz CFOQOXJLTXXJTH-SFTDATJTSA-N 1 1 591.656 4.576 1 0 KJAFMO CCOc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@H+](C6CCOCC6)C5)C4)c(=O)c3s2)c(Cl)c1 ZINC000028818569 561965318 /nfs/dbraw/zinc/96/53/18/561965318.db2.gz OXZHIGYSGHAWFL-SFTDATJTSA-N 1 1 586.158 4.729 1 0 KJAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)C(CO)CO)ccn32)n1)c1ccccc1 ZINC000028822149 561966687 /nfs/dbraw/zinc/96/66/87/561966687.db2.gz VQXOFAOBAUOSMQ-FQEVSTJZSA-N 1 1 526.616 4.556 1 0 KJAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)CCNS(C)(=O)=O)ccn32)n1)c1ccccc1 ZINC000028822162 561966730 /nfs/dbraw/zinc/96/67/30/561966730.db2.gz IBVGSNLFKCUCPR-NRFANRHFSA-N 1 1 573.698 4.752 1 0 KJAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)CCNS(C)(=O)=O)ccn32)n1)c1ccccc1 ZINC000028822162 561966728 /nfs/dbraw/zinc/96/67/28/561966728.db2.gz IBVGSNLFKCUCPR-NRFANRHFSA-N 1 1 573.698 4.752 1 0 KJAFMO Cc1c(C[N@@H+](C)C[C@@H](O)c2ccccc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822491 561966961 /nfs/dbraw/zinc/96/69/61/561966961.db2.gz DQPHFBJTZMIYNG-JOCHJYFZSA-N 1 1 510.059 4.657 1 0 KJAFMO Cc1c(C[N@@H+](C)C[C@H](O)c2ccccc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822492 561966948 /nfs/dbraw/zinc/96/69/48/561966948.db2.gz DQPHFBJTZMIYNG-QFIPXVFZSA-N 1 1 510.059 4.657 1 0 KJAFMO COc1cccc([C@@H](O)C[N@@H+](C)Cc2sc3c(c2C)n(C)cc(C(=O)NCc2ccc(Cl)cc2)c3=O)c1 ZINC000028822501 561967097 /nfs/dbraw/zinc/96/70/97/561967097.db2.gz UCEOGRAYYQPHJI-QHCPKHFHSA-N 1 1 540.085 4.666 1 0 KJAFMO COc1cccc([C@H](O)C[N@@H+](C)Cc2sc3c(c2C)n(C)cc(C(=O)NCc2ccc(Cl)cc2)c3=O)c1 ZINC000028822502 561967197 /nfs/dbraw/zinc/96/71/97/561967197.db2.gz UCEOGRAYYQPHJI-HSZRJFAPSA-N 1 1 540.085 4.666 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@@H+](C)C[C@@H](O)c3c[nH]c4ccccc43)cc21 ZINC000028822503 561967106 /nfs/dbraw/zinc/96/71/06/561967106.db2.gz SQTLEUFZUIDUFR-RUZDIDTESA-N 1 1 535.069 4.830 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@@H+](C)C[C@H](O)c3c[nH]c4ccccc43)cc21 ZINC000028822504 561967103 /nfs/dbraw/zinc/96/71/03/561967103.db2.gz SQTLEUFZUIDUFR-VWLOTQADSA-N 1 1 535.069 4.830 1 0 KJAFMO Cc1c(C[N@@H+](C)[C@@H](CO)Cc2ccccc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822535 561967133 /nfs/dbraw/zinc/96/71/33/561967133.db2.gz JXCAHVPPVPTQRV-JOCHJYFZSA-N 1 1 524.086 4.527 1 0 KJAFMO Cc1c(C[N@@H+](C)[C@H](CO)Cc2ccccc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822536 561967178 /nfs/dbraw/zinc/96/71/78/561967178.db2.gz JXCAHVPPVPTQRV-QFIPXVFZSA-N 1 1 524.086 4.527 1 0 KJAFMO CC(=O)Nc1cccc([C@H](O)C[N@H+](C)Cc2sc3c(c2C)n(C)cc(C(=O)NCc2ccc(Cl)cc2)c3=O)c1 ZINC000028822555 561967370 /nfs/dbraw/zinc/96/73/70/561967370.db2.gz HTSVOAFCEWPZJO-XMMPIXPASA-N 1 1 567.111 4.616 1 0 KJAFMO CC(=O)Nc1cccc([C@@H](O)C[N@H+](C)Cc2sc3c(c2C)n(C)cc(C(=O)NCc2ccc(Cl)cc2)c3=O)c1 ZINC000028822556 561967331 /nfs/dbraw/zinc/96/73/31/561967331.db2.gz HTSVOAFCEWPZJO-DEOSSOPVSA-N 1 1 567.111 4.616 1 0 KJAFMO Cc1c(CN(C)C[C@H](O)c2ccc(C[NH+](C)C)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822557 561967340 /nfs/dbraw/zinc/96/73/40/561967340.db2.gz WMOFUUNABPTEKS-VWLOTQADSA-N 1 1 567.155 4.719 1 0 KJAFMO Cc1c(CN(C)C[C@@H](O)c2ccc(C[NH+](C)C)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822558 561967317 /nfs/dbraw/zinc/96/73/17/561967317.db2.gz WMOFUUNABPTEKS-RUZDIDTESA-N 1 1 567.155 4.719 1 0 KJAFMO COc1cc(-c2csc3c2c(N)ncc3C(=O)N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822576 561967367 /nfs/dbraw/zinc/96/73/67/561967367.db2.gz OLYJKDUGZAYMCA-UHFFFAOYSA-N 1 1 554.676 4.686 1 0 KJAFMO C[NH+](C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc3c(Cl)c[nH]c3c2)cc1 ZINC000028822893 561967586 /nfs/dbraw/zinc/96/75/86/561967586.db2.gz DDOAOMITLAUVGV-BJKOFHAPSA-N 1 1 519.049 4.540 1 0 KJAFMO Clc1ccc2c(c1)[nH+]ccc2N1CCN(Cc2nc(Cc3ccccc3)c(N3CCOCC3)o2)CC1 ZINC000028824122 561969063 /nfs/dbraw/zinc/96/90/63/561969063.db2.gz GHUGNZJWGFESDO-UHFFFAOYSA-N 1 1 504.034 4.626 1 0 KJAFMO CN(c1cc2cc(c1)[C@H](C(F)(F)F)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])C(=O)OC2)S(C)(=O)=O ZINC000028824383 561969539 /nfs/dbraw/zinc/96/95/39/561969539.db2.gz DUMQNDKNNBUAOA-LSMIHOHGSA-N 1 1 589.680 4.966 1 0 KJAFMO NCc1ncc([C@@]23C[C@@H]2[C@H](N(CC[NH+]2CCCC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825133 561970304 /nfs/dbraw/zinc/97/03/04/561970304.db2.gz KVOBDYCIQQYMER-BOCKYXSRSA-N 1 1 511.589 4.810 1 0 KJAFMO C[C@@H]1CN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4cnc(CN)s4)C[C@H]23)[C@@H](C)C[NH2+]1 ZINC000028825141 561970384 /nfs/dbraw/zinc/97/03/84/561970384.db2.gz RKJUMSVZMWUHDU-RZAVBMFBSA-N 1 1 568.685 4.786 1 0 KJAFMO [NH3+]CCCN1CCN(CCCN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000028826271 561971261 /nfs/dbraw/zinc/97/12/61/561971261.db2.gz JVESEOWTESJOMA-NFFVHWSESA-N 1 1 536.164 4.956 1 0 KJAFMO CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=N)c4ccccc4)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000028863592 561972326 /nfs/dbraw/zinc/97/23/26/561972326.db2.gz AFVPSNNNECJSSA-UHFFFAOYSA-N 1 1 617.780 4.567 1 0 KJAFMO CCSc1ccc(CN2CCc3c(c(=O)n(CC[N@@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864130 561972619 /nfs/dbraw/zinc/97/26/19/561972619.db2.gz RJBKPNBOIDAQBD-UHFFFAOYSA-N 1 1 605.755 4.576 1 0 KJAFMO CCSc1ccc(CN2CCc3c(c(=O)n(CC[N@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864130 561972617 /nfs/dbraw/zinc/97/26/17/561972617.db2.gz RJBKPNBOIDAQBD-UHFFFAOYSA-N 1 1 605.755 4.576 1 0 KJAFMO C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000028864138 561972483 /nfs/dbraw/zinc/97/24/83/561972483.db2.gz AKKQMPVUZWTXBG-UHFFFAOYSA-N 1 1 614.524 4.771 1 0 KJAFMO Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864200 561972762 /nfs/dbraw/zinc/97/27/62/561972762.db2.gz NFSVFVSAVLFOGI-NDEPHWFRSA-N 1 1 599.726 4.961 1 0 KJAFMO Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864200 561972761 /nfs/dbraw/zinc/97/27/61/561972761.db2.gz NFSVFVSAVLFOGI-NDEPHWFRSA-N 1 1 599.726 4.961 1 0 KJAFMO Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864202 561972847 /nfs/dbraw/zinc/97/28/47/561972847.db2.gz NFSVFVSAVLFOGI-MUUNZHRXSA-N 1 1 599.726 4.961 1 0 KJAFMO Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCCCN4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864202 561972845 /nfs/dbraw/zinc/97/28/45/561972845.db2.gz NFSVFVSAVLFOGI-MUUNZHRXSA-N 1 1 599.726 4.961 1 0 KJAFMO Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCCN(Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864238 561973072 /nfs/dbraw/zinc/97/30/72/561973072.db2.gz RTDFPRBOVNIPCI-AREMUKBSSA-N 1 1 599.726 4.819 1 0 KJAFMO Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCCN(Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864238 561973070 /nfs/dbraw/zinc/97/30/70/561973070.db2.gz RTDFPRBOVNIPCI-AREMUKBSSA-N 1 1 599.726 4.819 1 0 KJAFMO Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCCN(Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864240 561973148 /nfs/dbraw/zinc/97/31/48/561973148.db2.gz RTDFPRBOVNIPCI-SANMLTNESA-N 1 1 599.726 4.819 1 0 KJAFMO Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCCN(Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864240 561973147 /nfs/dbraw/zinc/97/31/47/561973147.db2.gz RTDFPRBOVNIPCI-SANMLTNESA-N 1 1 599.726 4.819 1 0 KJAFMO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@H+]1C1CCCC1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864259 561973107 /nfs/dbraw/zinc/97/31/07/561973107.db2.gz AUTSCZOWVXPUGG-XMMPIXPASA-N 1 1 569.096 4.955 1 0 KJAFMO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@H+]1Cc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864264 561973151 /nfs/dbraw/zinc/97/31/51/561973151.db2.gz ZYFQUKXLKFLJCB-RUZDIDTESA-N 1 1 592.090 4.608 1 0 KJAFMO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@H+]1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864269 561973050 /nfs/dbraw/zinc/97/30/50/561973050.db2.gz RJMQDUQSQDWCOB-AREMUKBSSA-N 1 1 606.117 4.650 1 0 KJAFMO COc1ccccc1N1CCN(CCc2cccc(OC(=O)COCC(=O)Oc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873160 561974756 /nfs/dbraw/zinc/97/47/56/561974756.db2.gz QVSWWKKOPZQRRU-UHFFFAOYSA-N 1 1 722.883 4.961 1 0 KJAFMO COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccc(C(=O)NCC[NH+](C)C)c3)oc21 ZINC000028878039 561976075 /nfs/dbraw/zinc/97/60/75/561976075.db2.gz MGJOAQODMQCCGV-UHFFFAOYSA-N 1 1 543.664 4.975 1 0 KJAFMO CC[NH+]1CCN(C(=O)c2ccc(-c3oc4ncnc(NC[C@@H]5CCCO5)c4c3-c3ccccc3)cc2)CC1 ZINC000028879224 561976204 /nfs/dbraw/zinc/97/62/04/561976204.db2.gz FACSDOITOHWERB-DEOSSOPVSA-N 1 1 511.626 4.925 1 0 KJAFMO CCN(CC[C@@H]1CCC[N@H+]1C)C(=O)OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028880134 561976690 /nfs/dbraw/zinc/97/66/90/561976690.db2.gz AHSDNIAHOYAMKA-GOTSBHOMSA-N 1 1 520.095 4.793 1 0 KJAFMO CCN(CC[C@H]1CCC[N@H+]1C)C(=O)OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028880144 561976661 /nfs/dbraw/zinc/97/66/61/561976661.db2.gz AHSDNIAHOYAMKA-PKTZIBPZSA-N 1 1 520.095 4.793 1 0 KJAFMO CC(C)C[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)c1ccco1 ZINC000028882929 561977461 /nfs/dbraw/zinc/97/74/61/561977461.db2.gz TZHHYTWIEGWZGH-WHAITMRBSA-N 1 1 577.722 4.649 1 0 KJAFMO CC[C@@H](C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)c1ccco1 ZINC000028882934 561977389 /nfs/dbraw/zinc/97/73/89/561977389.db2.gz LDSSTBOFLPYPSF-LGUHRZEKSA-N 1 1 577.722 4.649 1 0 KJAFMO Cc1c(C[N@@H+](CCc2cccnc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897862 561979398 /nfs/dbraw/zinc/97/93/98/561979398.db2.gz PHKHASXZEUHMMH-UHFFFAOYSA-N 1 1 563.624 4.646 1 0 KJAFMO Cc1c(C[N@@H+](CCc2ccccn2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897871 561979402 /nfs/dbraw/zinc/97/94/02/561979402.db2.gz QBWZPEOEGKGJMR-UHFFFAOYSA-N 1 1 563.624 4.646 1 0 KJAFMO CC[N@H+](Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@@H](O)c1ccccc1 ZINC000028901310 561979828 /nfs/dbraw/zinc/97/98/28/561979828.db2.gz OQCZUSLRQQWAJG-XMMPIXPASA-N 1 1 510.059 4.739 1 0 KJAFMO CC[N@H+](Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@H](O)c1ccccc1 ZINC000028901315 561979877 /nfs/dbraw/zinc/97/98/77/561979877.db2.gz OQCZUSLRQQWAJG-DEOSSOPVSA-N 1 1 510.059 4.739 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C[C@@H](O)c3ccccc3)C3CC3)sc21 ZINC000028901360 561979975 /nfs/dbraw/zinc/97/99/75/561979975.db2.gz JOXITBXJHYNRGO-RUZDIDTESA-N 1 1 522.070 4.881 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C[C@@H](O)c3ccccc3)C3CC3)sc21 ZINC000028901360 561979973 /nfs/dbraw/zinc/97/99/73/561979973.db2.gz JOXITBXJHYNRGO-RUZDIDTESA-N 1 1 522.070 4.881 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C[C@H](O)c3ccccc3)C3CC3)sc21 ZINC000028901365 561979993 /nfs/dbraw/zinc/97/99/93/561979993.db2.gz JOXITBXJHYNRGO-VWLOTQADSA-N 1 1 522.070 4.881 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C[C@H](O)c3ccccc3)C3CC3)sc21 ZINC000028901365 561979991 /nfs/dbraw/zinc/97/99/91/561979991.db2.gz JOXITBXJHYNRGO-VWLOTQADSA-N 1 1 522.070 4.881 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3ccc4ccccc4n3)sc21 ZINC000028901553 561980037 /nfs/dbraw/zinc/98/00/37/561980037.db2.gz SOBNSMKVKLKCQJ-AREMUKBSSA-N 1 1 547.080 4.897 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3ccc4ccccc4n3)sc21 ZINC000028901553 561980035 /nfs/dbraw/zinc/98/00/35/561980035.db2.gz SOBNSMKVKLKCQJ-AREMUKBSSA-N 1 1 547.080 4.897 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@H](O)c3ccc4ccccc4n3)sc21 ZINC000028901558 561980081 /nfs/dbraw/zinc/98/00/81/561980081.db2.gz SOBNSMKVKLKCQJ-SANMLTNESA-N 1 1 547.080 4.897 1 0 KJAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@H](O)c3ccc4ccccc4n3)sc21 ZINC000028901558 561980080 /nfs/dbraw/zinc/98/00/80/561980080.db2.gz SOBNSMKVKLKCQJ-SANMLTNESA-N 1 1 547.080 4.897 1 0 KJAFMO C[C@@H](C[N@@H+](C)Cc1cc2c(s1)n(CCCO)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)c1ccco1 ZINC000028901709 561980102 /nfs/dbraw/zinc/98/01/02/561980102.db2.gz AVHXFNBHPARSTM-SFHVURJKSA-N 1 1 528.074 4.857 1 0 KJAFMO C[C@H](C[N@@H+](C)Cc1cc2c(s1)n(CCCO)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)c1ccco1 ZINC000028901715 561980060 /nfs/dbraw/zinc/98/00/60/561980060.db2.gz AVHXFNBHPARSTM-GOSISDBHSA-N 1 1 528.074 4.857 1 0 KJAFMO Cc1cc(COc2ccc(C(=O)N[C@@H]3C[N@@H+](C(C)C)CC[C@@H]3c3n[nH]c(=S)[nH]3)cc2)c2ccccc2n1 ZINC000028903268 561980198 /nfs/dbraw/zinc/98/01/98/561980198.db2.gz NBEQYTSXQZAREJ-UKILVPOCSA-N 1 1 516.671 4.525 1 0 KJAFMO C[C@@]1([NH3+])Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(Br)cc(c2)COC1=O ZINC000028950041 561981240 /nfs/dbraw/zinc/98/12/40/561981240.db2.gz BJQQKXLXTMVJHC-SHQCIBLASA-N 1 1 507.428 4.870 1 0 KJAFMO CC(C)(CO)[NH+]1CCN(C(=O)OC2([C@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028950674 561981399 /nfs/dbraw/zinc/98/13/99/561981399.db2.gz OMDLVUGUASZVGG-IZZNHLLZSA-N 1 1 612.139 4.960 1 0 KJAFMO CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953551 561982320 /nfs/dbraw/zinc/98/23/20/561982320.db2.gz ZPGWSMSWUGDMDJ-IHLOFXLRSA-N 1 1 565.202 4.970 1 0 KJAFMO CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(CNS(=O)(=O)Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953554 561982301 /nfs/dbraw/zinc/98/23/01/561982301.db2.gz IEPFNWPPQXNZIK-IHLOFXLRSA-N 1 1 601.257 4.731 1 0 KJAFMO CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(CNS(=O)(=O)c4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953557 561982527 /nfs/dbraw/zinc/98/25/27/561982527.db2.gz QZCFRIBBLHYRBQ-WDYNHAJCSA-N 1 1 587.230 4.589 1 0 KJAFMO Cc1nccn1Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959642 561983932 /nfs/dbraw/zinc/98/39/32/561983932.db2.gz HFZXMUYVCMYCJC-RRPNLBNLSA-N 1 1 506.094 4.666 1 0 KJAFMO Cc1cncn1Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959646 561983904 /nfs/dbraw/zinc/98/39/04/561983904.db2.gz XIQWGUZTBXYFIW-RRPNLBNLSA-N 1 1 506.094 4.666 1 0 KJAFMO Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CN(C)C)C(C)C)c1 ZINC000028960058 561983914 /nfs/dbraw/zinc/98/39/14/561983914.db2.gz BMMGOGXSWCPOBQ-LBRLCBGXSA-N 1 1 582.233 4.796 1 0 KJAFMO Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CN(C)C)C(C)C)c1 ZINC000028960058 561983913 /nfs/dbraw/zinc/98/39/13/561983913.db2.gz BMMGOGXSWCPOBQ-LBRLCBGXSA-N 1 1 582.233 4.796 1 0 KJAFMO C[NH+](C)CCN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964308 561984771 /nfs/dbraw/zinc/98/47/71/561984771.db2.gz MNJNTWVQZAJTOG-UHFFFAOYSA-N 1 1 568.588 4.888 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975241 561986469 /nfs/dbraw/zinc/98/64/69/561986469.db2.gz IWKLYINHWTWPNC-JBRSBNLGSA-N 1 1 557.736 4.743 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(CCF)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975324 561986460 /nfs/dbraw/zinc/98/64/60/561986460.db2.gz CCWUAAILIWKHIU-WPFOTENUSA-N 1 1 533.689 4.529 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(CC3CC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975333 561986421 /nfs/dbraw/zinc/98/64/21/561986421.db2.gz GIMZSPHDTTYQLI-BFLUCZKCSA-N 1 1 541.737 4.970 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(CC3CC3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975333 561986419 /nfs/dbraw/zinc/98/64/19/561986419.db2.gz GIMZSPHDTTYQLI-BFLUCZKCSA-N 1 1 541.737 4.970 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C3CCN(C(C)=O)CC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975339 561986498 /nfs/dbraw/zinc/98/64/98/561986498.db2.gz SEGSTAYQKLCBCH-IWVFXYMLSA-N 1 1 612.816 4.571 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C3CCN(C(C)=O)CC3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975339 561986496 /nfs/dbraw/zinc/98/64/96/561986496.db2.gz SEGSTAYQKLCBCH-IWVFXYMLSA-N 1 1 612.816 4.571 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C(C)C)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975370 561986570 /nfs/dbraw/zinc/98/65/70/561986570.db2.gz WYEYLXCZEJWTGK-SONWIMMPSA-N 1 1 557.736 4.743 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(CCF)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975433 561986599 /nfs/dbraw/zinc/98/65/99/561986599.db2.gz KPAYEHBENMIRQR-WPFOTENUSA-N 1 1 533.689 4.529 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(CC3CC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975443 561986624 /nfs/dbraw/zinc/98/66/24/561986624.db2.gz BGRYRZFRZVJJFE-KYPHJKQUSA-N 1 1 541.737 4.970 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(CC3CC3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975443 561986622 /nfs/dbraw/zinc/98/66/22/561986622.db2.gz BGRYRZFRZVJJFE-KYPHJKQUSA-N 1 1 541.737 4.970 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C3CCN(C(C)=O)CC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975447 561986537 /nfs/dbraw/zinc/98/65/37/561986537.db2.gz GQPVTPBVODGSBT-QXTIUPHPSA-N 1 1 612.816 4.571 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)C3CCOCC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975519 561986567 /nfs/dbraw/zinc/98/65/67/561986567.db2.gz GXEUOMNYYYTCOF-VXQMPNGUSA-N 1 1 599.773 4.513 1 0 KJAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C3CCOCC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975525 561986526 /nfs/dbraw/zinc/98/65/26/561986526.db2.gz ABTYEFIQKNTICU-SCTDOJESSA-N 1 1 599.773 4.513 1 0 KJAFMO CC[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976393 561986880 /nfs/dbraw/zinc/98/68/80/561986880.db2.gz LXCCZVGMQZVCOU-MUUNZHRXSA-N 1 1 527.694 4.731 1 0 KJAFMO CC[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976397 561986896 /nfs/dbraw/zinc/98/68/96/561986896.db2.gz LXCCZVGMQZVCOU-NDEPHWFRSA-N 1 1 527.694 4.731 1 0 KJAFMO COc1ccc(NC(=O)[C@H](c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)N2CC[NH+](C)CC2)cc1 ZINC000028976473 561986906 /nfs/dbraw/zinc/98/69/06/561986906.db2.gz SMKWGXGIKHTYGN-MHZLTWQESA-N 1 1 529.666 4.672 1 0 KJAFMO COc1ccc(NC(=O)[C@@H](c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)N2CC[NH+](C)CC2)cc1 ZINC000028976478 561987007 /nfs/dbraw/zinc/98/70/07/561987007.db2.gz SMKWGXGIKHTYGN-HHHXNRCGSA-N 1 1 529.666 4.672 1 0 KJAFMO Cc1ccc(NC(=O)[C@@H](c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)N2CC[NH+](C)CC2)cc1 ZINC000028976482 561987033 /nfs/dbraw/zinc/98/70/33/561987033.db2.gz XJWPRLPNSVKOEW-HHHXNRCGSA-N 1 1 513.667 4.971 1 0 KJAFMO Cc1ccc(NC(=O)[C@H](c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)N2CC[NH+](C)CC2)cc1 ZINC000028976486 561987013 /nfs/dbraw/zinc/98/70/13/561987013.db2.gz XJWPRLPNSVKOEW-MHZLTWQESA-N 1 1 513.667 4.971 1 0 KJAFMO C[NH+]1CCN(C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 ZINC000029038477 561988976 /nfs/dbraw/zinc/98/89/76/561988976.db2.gz PGMBZYQXLLHNGP-SLYFCEBRSA-N 1 1 642.744 4.679 1 0 KJAFMO CC[C@@H]1CCC[C@H](C2(CC(=O)N3CC[N@H+]4CCCC[C@H]4C3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000029038544 561988996 /nfs/dbraw/zinc/98/89/96/561988996.db2.gz FGXUMNZSIFNZHG-AOHZBQACSA-N 1 1 508.128 4.529 1 0 KJAFMO O=C(CC1([C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000029038568 561989186 /nfs/dbraw/zinc/98/91/86/561989186.db2.gz JZXUGHRCBRCPON-ZKMPZPQNSA-N 1 1 520.139 4.529 1 0 KJAFMO O=S(=O)(c1ccc(Cl)cc1)N1[C@@H](C2(Cc3noc(C[NH+]4CCCC4)n3)CC2)CCC[C@H]1C1CC1 ZINC000029038650 561989092 /nfs/dbraw/zinc/98/90/92/561989092.db2.gz GMGMXDBCSMRQME-FCHUYYIVSA-N 1 1 505.084 4.664 1 0 KJAFMO CCCC[N@H+]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038669 561989103 /nfs/dbraw/zinc/98/91/03/561989103.db2.gz HKHRBWOCFLSICR-ZILOHOTNSA-N 1 1 536.518 4.805 1 0 KJAFMO C[N@H+]1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038683 561989160 /nfs/dbraw/zinc/98/91/60/561989160.db2.gz VKDLJRKGABZQNK-OMXJDXKCSA-N 1 1 529.429 4.517 1 0 KJAFMO CC[N@H+]1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038690 561989148 /nfs/dbraw/zinc/98/91/48/561989148.db2.gz UMMKLUOMGXCWLU-SWWFSWNPSA-N 1 1 543.456 4.908 1 0 KJAFMO C[N@H+]1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038718 561989364 /nfs/dbraw/zinc/98/93/64/561989364.db2.gz GSWDCTMPNDMBDF-AYPBNUJASA-N 1 1 527.894 4.893 1 0 KJAFMO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+](CCCc2ccc(F)cc2)C2CCCCC2)cc(-c2nnnn2C)c1 ZINC000029039079 561989506 /nfs/dbraw/zinc/98/95/06/561989506.db2.gz QUQUATAXKUIJRN-PIKZIKFNSA-N 1 1 551.711 4.717 1 0 KJAFMO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+](CCCc2ccc(F)cc2)Cc2ccccc2)cc(-c2nnnn2C)c1 ZINC000029039089 561989475 /nfs/dbraw/zinc/98/94/75/561989475.db2.gz UJUGVYFBIDUSHH-MNNSJKJDSA-N 1 1 559.690 4.585 1 0 KJAFMO COCCN(CC(=O)N1CCC[C@@H](c2ccccc2)[C@@H]1C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000029045724 561992614 /nfs/dbraw/zinc/99/26/14/561992614.db2.gz VAPFYVRZDCWUAW-OZXSUGGESA-N 1 1 520.501 4.553 1 0 KJAFMO COCCN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000029045727 561992611 /nfs/dbraw/zinc/99/26/11/561992611.db2.gz VAPFYVRZDCWUAW-BVAGGSTKSA-N 1 1 520.501 4.553 1 0 KJAFMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047251 561993159 /nfs/dbraw/zinc/99/31/59/561993159.db2.gz PHTTXEWJAVGJAX-ZQLNOWDWSA-N 1 1 534.607 4.799 1 0 KJAFMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cc1 ZINC000029047254 561993337 /nfs/dbraw/zinc/99/33/37/561993337.db2.gz PHTTXEWJAVGJAX-VDZJOXJSSA-N 1 1 534.607 4.799 1 0 KJAFMO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4n[nH]c(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029063249 561996212 /nfs/dbraw/zinc/99/62/12/561996212.db2.gz JZFQYKMYELWMMU-MHZLTWQESA-N 1 1 532.689 4.725 1 0 KJAFMO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4n[nH]c(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029063253 561996132 /nfs/dbraw/zinc/99/61/32/561996132.db2.gz JZFQYKMYELWMMU-HHHXNRCGSA-N 1 1 532.689 4.725 1 0 KJAFMO Nc1ncnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4nnc[nH]4)cc3-c3ccccc3)cc2)CC1 ZINC000029125526 561997701 /nfs/dbraw/zinc/99/77/01/561997701.db2.gz WPQHLIPHCCADRU-UHFFFAOYSA-N 1 1 528.624 4.760 1 0 KJAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5c(cc4CC3)OCCN5)n2C)n1 ZINC000029127047 561999352 /nfs/dbraw/zinc/99/93/52/561999352.db2.gz AJBBNBBBDUCRTB-UHFFFAOYSA-N 1 1 500.672 4.726 1 0 KJAFMO Cc1ccc(-c2nnc(SCCC[N@H+]3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1 ZINC000029127061 561999426 /nfs/dbraw/zinc/99/94/26/561999426.db2.gz YROMCCIDISNCOF-UHFFFAOYSA-N 1 1 502.566 4.929 1 0 KJAFMO Cc1ncccc1-c1nnc(SCCC[N@H+]2CCc3ccc4oc(C(F)(F)F)nc4c3CC2)n1C ZINC000029127062 561999436 /nfs/dbraw/zinc/99/94/36/561999436.db2.gz IQFXDOJWHPEPAA-UHFFFAOYSA-N 1 1 502.566 4.929 1 0 KJAFMO CC(=O)N1CCOc2cc3c(cc21)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127088 561999418 /nfs/dbraw/zinc/99/94/18/561999418.db2.gz MDWSQWMMLXSJIP-UHFFFAOYSA-N 1 1 542.709 4.667 1 0 KJAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@H](C)[N@H+]3CCc4cc5c(cc4CC3)C(=O)N(C)C5)n2C)n1 ZINC000029127293 561999653 /nfs/dbraw/zinc/99/96/53/561999653.db2.gz DXIJUOOAQKSDNE-FQEVSTJZSA-N 1 1 526.710 4.896 1 0 KJAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@@H](C)[N@H+]3CCc4cc5c(cc4CC3)C(=O)N(C)C5)n2C)n1 ZINC000029127294 561999658 /nfs/dbraw/zinc/99/96/58/561999658.db2.gz DXIJUOOAQKSDNE-HXUWFJFHSA-N 1 1 526.710 4.896 1 0 KJAFMO Cc1ccc2c(cccc2-c2nnc(SCCCC[N@H+]3CCc4cc5c(cc4CC3)C(=O)N(C)C5)n2C)n1 ZINC000029127417 561999851 /nfs/dbraw/zinc/99/98/51/561999851.db2.gz ABOWDNIHZHLENL-UHFFFAOYSA-N 1 1 526.710 4.897 1 0 KJAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5c(cc4CC3)C(=O)N(C)C5)n2C)n1 ZINC000029127467 561999752 /nfs/dbraw/zinc/99/97/52/561999752.db2.gz ITTGLZWHTWLHSG-UHFFFAOYSA-N 1 1 512.683 4.507 1 0 KJAFMO COc1nc(NCCC[NH+]2CCN(C)CC2)ncc1C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2C)ccc1C ZINC000029127865 562000363 /nfs/dbraw/zinc/00/03/63/562000363.db2.gz IZGPDIJRXUJVSZ-UHFFFAOYSA-N 1 1 599.658 4.675 1 0 KJAFMO CC(C)c1cc(NC(=O)N[C@H](C)CC[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029129159 562001687 /nfs/dbraw/zinc/00/16/87/562001687.db2.gz CAFBEDWUSCRFBS-IRLDBZIGSA-N 1 1 507.658 4.994 1 0 KJAFMO C[C@H](CC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(Br)cc(-c2nnnn2C)c1 ZINC000029129923 562002114 /nfs/dbraw/zinc/00/21/14/562002114.db2.gz CTZCYZCFMJXNPE-MJGOQNOKSA-N 1 1 544.473 4.634 1 0 KJAFMO CCC[C@H](CC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2nnnn2C)cc(C(C)(C)O)c1 ZINC000029130085 562002259 /nfs/dbraw/zinc/00/22/59/562002259.db2.gz RECBRJKCPMUFRD-BKMJKUGQSA-N 1 1 551.711 4.879 1 0 KJAFMO O=C(NCCC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)Nc1cc(-n2cccn2)cc(-n2cccn2)c1 ZINC000029130153 562002347 /nfs/dbraw/zinc/00/23/47/562002347.db2.gz MJKZXBYUDVUDPD-QHCPKHFHSA-N 1 1 501.610 4.663 1 0 KJAFMO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000029130409 562002520 /nfs/dbraw/zinc/00/25/20/562002520.db2.gz NYULCRROCNGNFI-QCDSWUKFSA-N 1 1 515.679 4.894 1 0 KJAFMO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000029130412 562002529 /nfs/dbraw/zinc/00/25/29/562002529.db2.gz NYULCRROCNGNFI-SETSBSEESA-N 1 1 515.679 4.894 1 0 KJAFMO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@H](O)C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000029130414 562002563 /nfs/dbraw/zinc/00/25/63/562002563.db2.gz NYULCRROCNGNFI-RNAHPLFWSA-N 1 1 515.679 4.894 1 0 KJAFMO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@H](O)C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000029130416 562002608 /nfs/dbraw/zinc/00/26/08/562002608.db2.gz NYULCRROCNGNFI-FYBSXPHGSA-N 1 1 515.679 4.894 1 0 KJAFMO Cc1cccc(NCc2ccc3nc(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134034 562003740 /nfs/dbraw/zinc/00/37/40/562003740.db2.gz JWXKMENOINHWIM-UHFFFAOYSA-N 1 1 500.647 4.548 1 0 KJAFMO Cc1cc(C)cc(NCc2ccc3nc(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134128 562003938 /nfs/dbraw/zinc/00/39/38/562003938.db2.gz YESSNUFZLDEBOG-UHFFFAOYSA-N 1 1 514.674 4.857 1 0 KJAFMO Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H]([NH3+])Cc5ccccc5)c(C)c34)c2F)[nH]1 ZINC000029134324 562004083 /nfs/dbraw/zinc/00/40/83/562004083.db2.gz VYLHSCAZHVTLLN-DYESRHJHSA-N 1 1 517.561 4.639 1 0 KJAFMO Cc1cc(C)cc(N(CCCC(N)=O)Cc2ccc3nc(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134651 562004197 /nfs/dbraw/zinc/00/41/97/562004197.db2.gz SPBIPXFNYLFXQN-UHFFFAOYSA-N 1 1 599.780 4.517 1 0 KJAFMO COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(C[NH+]5CCOCC5)cc4)cc3)o2)n1 ZINC000029136146 562004674 /nfs/dbraw/zinc/00/46/74/562004674.db2.gz XKMJKGMVRSEJOX-UHFFFAOYSA-N 1 1 511.578 4.838 1 0 KJAFMO C=CC(=O)Nc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(F)c(Br)c1 ZINC000029204261 562004909 /nfs/dbraw/zinc/00/49/09/562004909.db2.gz AHRFAYIIMKQRQN-UHFFFAOYSA-N 1 1 530.398 4.501 1 0 KJAFMO CN1CCN(c2cccc3ccc(OCC(=O)Nc4ccc(NC(=O)COc5ccc6[nH]cc(CC[NH3+])c6c5)cc4)cc32)CC1 ZINC000029207829 562005383 /nfs/dbraw/zinc/00/53/83/562005383.db2.gz CGHABSNFJJPLNR-UHFFFAOYSA-N 1 1 606.727 4.609 1 0 KJAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211297 562005821 /nfs/dbraw/zinc/00/58/21/562005821.db2.gz UAGSFDGENAZSIS-SANMLTNESA-N 1 1 538.092 4.580 1 0 KJAFMO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211302 562005780 /nfs/dbraw/zinc/00/57/80/562005780.db2.gz UAGSFDGENAZSIS-AREMUKBSSA-N 1 1 538.092 4.580 1 0 KJAFMO COc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CC[NH+](C)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000029244867 562010594 /nfs/dbraw/zinc/01/05/94/562010594.db2.gz HEDDMTFVFDFSSE-XLMYLCDGSA-N 1 1 506.716 4.501 1 0 KJAFMO COc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CC[NH+](C)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000029244874 562010600 /nfs/dbraw/zinc/01/06/00/562010600.db2.gz HEDDMTFVFDFSSE-RTSKKLKRSA-N 1 1 506.716 4.501 1 0 KJAFMO COc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CC[NH+](C)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000029244882 562010587 /nfs/dbraw/zinc/01/05/87/562010587.db2.gz HEDDMTFVFDFSSE-LKMXBKBRSA-N 1 1 506.716 4.501 1 0 KJAFMO COc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CC[NH+](C)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000029244890 562010606 /nfs/dbraw/zinc/01/06/06/562010606.db2.gz HEDDMTFVFDFSSE-UVYJVUIESA-N 1 1 506.716 4.501 1 0 KJAFMO COc1cc2c(cc1OC)CC(=O)N(CCC[N@@H+](C)CCc1ccc(OCc3ccccc3)cc1)CC2 ZINC000029253135 562011355 /nfs/dbraw/zinc/01/13/55/562011355.db2.gz KLPDOAJEFIJERT-UHFFFAOYSA-N 1 1 502.655 4.775 1 0 KJAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029345605 562016092 /nfs/dbraw/zinc/01/60/92/562016092.db2.gz DKMJEMGMFYYRQX-DHOIZSSKSA-N 1 1 732.967 4.657 1 0 KJAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029345605 562016090 /nfs/dbraw/zinc/01/60/90/562016090.db2.gz DKMJEMGMFYYRQX-DHOIZSSKSA-N 1 1 732.967 4.657 1 0 KJAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029345609 562016073 /nfs/dbraw/zinc/01/60/73/562016073.db2.gz DKMJEMGMFYYRQX-PRWCNWIHSA-N 1 1 732.967 4.657 1 0 KJAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029345609 562016072 /nfs/dbraw/zinc/01/60/72/562016072.db2.gz DKMJEMGMFYYRQX-PRWCNWIHSA-N 1 1 732.967 4.657 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029388736 562016913 /nfs/dbraw/zinc/01/69/13/562016913.db2.gz VSIQRAJVQRWXMJ-DLFZDVPBSA-N 1 1 629.610 4.634 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cc(Cl)ccc1Cl ZINC000029389403 562016993 /nfs/dbraw/zinc/01/69/93/562016993.db2.gz JQPXBYFMPXPENB-YIXXDRMTSA-N 1 1 648.440 4.788 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000029391887 562017556 /nfs/dbraw/zinc/01/75/56/562017556.db2.gz MZACKEZKMUBHOC-UFHPHHKVSA-N 1 1 662.467 4.830 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cc(Cl)cc(Cl)c1 ZINC000029391902 562017518 /nfs/dbraw/zinc/01/75/18/562017518.db2.gz QOMOQSNQBVYXAO-YIXXDRMTSA-N 1 1 648.440 4.788 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc(C(F)(F)F)c1F ZINC000029391987 562017545 /nfs/dbraw/zinc/01/75/45/562017545.db2.gz ATSHVDRMGVTRMT-AJTFRIOCSA-N 1 1 665.537 4.639 1 0 KJAFMO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)C[C@@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029392081 562017531 /nfs/dbraw/zinc/01/75/31/562017531.db2.gz XSSRRJFIYUJCHQ-SLJAQBMJSA-N 1 1 652.925 4.919 1 0 KJAFMO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)C[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029392084 562017551 /nfs/dbraw/zinc/01/75/51/562017551.db2.gz XSSRRJFIYUJCHQ-QBPYOWCYSA-N 1 1 652.925 4.919 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1ccc(Cl)cc1Cl ZINC000029392203 562017687 /nfs/dbraw/zinc/01/76/87/562017687.db2.gz SEGXPPOUIOTVMU-YIXXDRMTSA-N 1 1 648.440 4.788 1 0 KJAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000029392408 562017710 /nfs/dbraw/zinc/01/77/10/562017710.db2.gz KKYBAUMVFSBYOJ-OIYSRFRJSA-N 1 1 647.905 4.634 1 0 KJAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000029392411 562017644 /nfs/dbraw/zinc/01/76/44/562017644.db2.gz KKYBAUMVFSBYOJ-BTZNDZMISA-N 1 1 647.905 4.634 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2cccc(Cl)c2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029392880 562017815 /nfs/dbraw/zinc/01/78/15/562017815.db2.gz DWBNDBPNTDYBBR-MXBOTTGLSA-N 1 1 629.610 4.634 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2c(Cl)cccc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029393201 562017969 /nfs/dbraw/zinc/01/79/69/562017969.db2.gz ZOVKZCACWQOMDN-MXBOTTGLSA-N 1 1 629.610 4.634 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)c(Cl)c2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029393260 562017906 /nfs/dbraw/zinc/01/79/06/562017906.db2.gz SBVFPNSIVWSVQR-DLFZDVPBSA-N 1 1 629.610 4.634 1 0 KJAFMO Nc1[nH+]ccc2ccc(OC[C@H](Cc3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc21 ZINC000029393520 562018000 /nfs/dbraw/zinc/01/80/00/562018000.db2.gz GTWGEIYIYPPASC-VWLOTQADSA-N 1 1 564.667 4.778 1 0 KJAFMO Cn1nnnc1-c1cc(NC(=O)NCCC[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(F)(F)F)c1 ZINC000029393950 562018056 /nfs/dbraw/zinc/01/80/56/562018056.db2.gz TZPRYUQCKRSRIX-SFHVURJKSA-N 1 1 519.547 4.501 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc(Cl)c1Cl ZINC000029394855 562018254 /nfs/dbraw/zinc/01/82/54/562018254.db2.gz SJYSRFHCHGIKLP-AJTFRIOCSA-N 1 1 648.440 4.788 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1csc2ccccc12 ZINC000029396186 562018644 /nfs/dbraw/zinc/01/86/44/562018644.db2.gz PUMTXIZTFPQRLI-VAVYLYDRSA-N 1 1 635.639 4.696 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2cc(Cl)ccc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029396189 562018633 /nfs/dbraw/zinc/01/86/33/562018633.db2.gz OJXUNQWKBFHWTB-DLFZDVPBSA-N 1 1 629.610 4.634 1 0 KJAFMO O=C(C[C@H]1S[C@H](c2cc(Cl)cc(Cl)c2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029396192 562018605 /nfs/dbraw/zinc/01/86/05/562018605.db2.gz BFIDXNCLUPAVKR-DLFZDVPBSA-N 1 1 629.610 4.634 1 0 KJAFMO COc1ccccc1N1CC[NH+](CCN2C(=O)c3cc(I)ccc3[C@@H]2c2ccccc2)CC1 ZINC000029397168 562018883 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562020109 /nfs/dbraw/zinc/02/01/09/562020109.db2.gz OJIQCFXRJHEEKE-UHFFFAOYSA-N 1 1 551.478 4.511 1 0 KJAFMO Nc1[nH+]ccc2ccc(OC[C@H](c3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc21 ZINC000029403132 562020181 /nfs/dbraw/zinc/02/01/81/562020181.db2.gz RIDYAKQYDYAPSO-MUUNZHRXSA-N 1 1 550.640 4.908 1 0 KJAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)Cc3ccccc3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029409272 562021319 /nfs/dbraw/zinc/02/13/19/562021319.db2.gz UWMBXVJUFVVFBV-BLURRDHPSA-N 1 1 531.605 4.679 1 0 KJAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029409275 562021372 /nfs/dbraw/zinc/02/13/72/562021372.db2.gz UWMBXVJUFVVFBV-YWZSZGKRSA-N 1 1 531.605 4.679 1 0 KJAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCC[NH+]2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029412983 562022198 /nfs/dbraw/zinc/02/21/98/562022198.db2.gz LFHRZDUCVKDMRO-SZNOJMITSA-N 1 1 687.878 4.608 1 0 KJAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCC[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000029412986 562022128 /nfs/dbraw/zinc/02/21/28/562022128.db2.gz LFHRZDUCVKDMRO-LMRQRCQZSA-N 1 1 687.878 4.608 1 0 KJAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)C3CCCCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029413576 562022330 /nfs/dbraw/zinc/02/23/30/562022330.db2.gz HATBDKUVMLOVJW-HIYJGCFHSA-N 1 1 523.626 4.811 1 0 KJAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)C3CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029413580 562022327 /nfs/dbraw/zinc/02/23/27/562022327.db2.gz HATBDKUVMLOVJW-PFFNZIMVSA-N 1 1 523.626 4.811 1 0 KJAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1)[N@@H+](C)CC1CCCCC1 ZINC000029475069 562026340 /nfs/dbraw/zinc/02/63/40/562026340.db2.gz GITKXXBJJFLYLD-LQJZCPKCSA-N 1 1 576.826 4.994 1 0 KJAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1)[N@@H+](C)C1CCCCC1 ZINC000029482088 562027489 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COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@]2(OC)Sc3ccccc3N(C)C2=O)c1 ZINC000029558869 562032623 /nfs/dbraw/zinc/03/26/23/562032623.db2.gz TUGQQAZVYRVPRM-PMERELPUSA-N 1 1 566.676 4.772 1 0 KJAFMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029563472 562033764 /nfs/dbraw/zinc/03/37/64/562033764.db2.gz WHXXGGSFZXTUQR-HKBQPEDESA-N 1 1 522.693 4.509 1 0 KJAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3csc4ccc(Cl)cc34)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029563979 562034005 /nfs/dbraw/zinc/03/40/05/562034005.db2.gz WIWAETJMEYEKLK-AHXSUKCRSA-N 1 1 733.397 4.866 1 0 KJAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3csc4ccc(Cl)cc34)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029563979 562034003 /nfs/dbraw/zinc/03/40/03/562034003.db2.gz WIWAETJMEYEKLK-AHXSUKCRSA-N 1 1 733.397 4.866 1 0 KJAFMO CS(=O)(=O)c1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566144 562034487 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CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331163 562056228 /nfs/dbraw/zinc/05/62/28/562056228.db2.gz DCKJSLKYPRSJEJ-KSRFJYGKSA-N 1 1 596.721 4.520 1 0 KJAFMO CC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338716 562057152 /nfs/dbraw/zinc/05/71/52/562057152.db2.gz MZFRPAGQFCHYTI-IRPSRAIASA-N 1 1 530.713 4.860 1 0 KJAFMO CC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338717 562057132 /nfs/dbraw/zinc/05/71/32/562057132.db2.gz MZFRPAGQFCHYTI-SVEHJYQDSA-N 1 1 530.713 4.860 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000036351480 562058313 /nfs/dbraw/zinc/05/83/13/562058313.db2.gz VKCHGIQRDXGPSQ-NSOVKSMOSA-N 1 1 571.688 4.739 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000036351480 562058312 /nfs/dbraw/zinc/05/83/12/562058312.db2.gz VKCHGIQRDXGPSQ-NSOVKSMOSA-N 1 1 571.688 4.739 1 0 KJAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000036351481 562058303 /nfs/dbraw/zinc/05/83/03/562058303.db2.gz VKCHGIQRDXGPSQ-WUFINQPMSA-N 1 1 571.688 4.739 1 0 KJAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000036351481 562058302 /nfs/dbraw/zinc/05/83/02/562058302.db2.gz VKCHGIQRDXGPSQ-WUFINQPMSA-N 1 1 571.688 4.739 1 0 KJAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000036351487 562058573 /nfs/dbraw/zinc/05/85/73/562058573.db2.gz LDJHHVNOOGLYRV-RRPNLBNLSA-N 1 1 558.645 4.824 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC000036351488 562058565 /nfs/dbraw/zinc/05/85/65/562058565.db2.gz LDJHHVNOOGLYRV-SVBPBHIXSA-N 1 1 558.645 4.824 1 0 KJAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4nccs4)C[C@H]23)CC1 ZINC000036351538 562058542 /nfs/dbraw/zinc/05/85/42/562058542.db2.gz FOKNOQMQHNCTGM-ZYKOEDHHSA-N 1 1 525.616 4.893 1 0 KJAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(=O)[nH]c4)C[C@H]23)CC1 ZINC000036351553 562058578 /nfs/dbraw/zinc/05/85/78/562058578.db2.gz YBFQLGQVVJVKER-WHSBFGAESA-N 1 1 535.586 4.537 1 0 KJAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@@H+](C)C3CCOCC3)C2)C1 ZINC000036351570 562058649 /nfs/dbraw/zinc/05/86/49/562058649.db2.gz LENBDZCHIXSQQX-SXOMAYOGSA-N 1 1 558.645 4.824 1 0 KJAFMO CC(=O)N1CCC([N@H+](C)[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1 ZINC000036351579 562058694 /nfs/dbraw/zinc/05/86/94/562058694.db2.gz QZEKUSOILSDJRT-WDYNHAJCSA-N 1 1 599.698 4.656 1 0 KJAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(S(C)(=O)=O)cc4)C[C@H]23)CC1 ZINC000036351586 562058743 /nfs/dbraw/zinc/05/87/43/562058743.db2.gz RJXUAYMWGTUQIM-OROMBRFGSA-N 1 1 596.691 4.840 1 0 KJAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5c(c4)CC(=O)N5)C[C@H]23)CC1 ZINC000036351587 562058657 /nfs/dbraw/zinc/05/86/57/562058657.db2.gz PYZPYAOXOKKUCA-YRKKDBSBSA-N 1 1 573.635 4.931 1 0 KJAFMO CC[N@@H+](C)[C@@H]1CCN(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351593 562058653 /nfs/dbraw/zinc/05/86/53/562058653.db2.gz YATNFDKJPCRTJB-RPWUZVMVSA-N 1 1 502.581 4.665 1 0 KJAFMO COc1ccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cn1 ZINC000036351596 562058629 /nfs/dbraw/zinc/05/86/29/562058629.db2.gz FTASEOJYFQDDTN-LSCGWGKXSA-N 1 1 549.613 4.840 1 0 KJAFMO CNC(=O)c1ccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cc1 ZINC000036351597 562058622 /nfs/dbraw/zinc/05/86/22/562058622.db2.gz UQXNHWZJPIQLTE-PIRIWWGTSA-N 1 1 575.651 4.796 1 0 KJAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(N)cc4)C[C@H]23)CC1 ZINC000036351613 562058767 /nfs/dbraw/zinc/05/87/67/562058767.db2.gz UOCOEXSYYGTVTN-AVPJRLCVSA-N 1 1 500.062 4.653 1 0 KJAFMO CN1CC[NH+](CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C=O)c4)C[C@@H]3C2)CC1 ZINC000036351724 562059156 /nfs/dbraw/zinc/05/91/56/562059156.db2.gz DPYOWKRMMBILEG-QFWOEDSFSA-N 1 1 507.629 4.608 1 0 KJAFMO O=C1CC[C@](CC[NH+]2CC(N3CCC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000036465905 562060835 /nfs/dbraw/zinc/06/08/35/562060835.db2.gz NEPOEDGBXWMAGJ-RBJSKKJNSA-N 1 1 516.513 4.585 1 0 KJAFMO O=C1CC[C@](CCN2CC([N@H+]3CCC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000036465905 562060834 /nfs/dbraw/zinc/06/08/34/562060834.db2.gz NEPOEDGBXWMAGJ-RBJSKKJNSA-N 1 1 516.513 4.585 1 0 KJAFMO CC[C@H]1CN(c2ncc(-c3nc[nH]n3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000036480128 562060958 /nfs/dbraw/zinc/06/09/58/562060958.db2.gz TUAHPCBZDUMIPN-FQEVSTJZSA-N 1 1 518.468 4.878 1 0 KJAFMO COc1cc2nccc(Oc3ccc(-c4cnc([C@H]([NH3+])c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000036489455 562061134 /nfs/dbraw/zinc/06/11/34/562061134.db2.gz CFZUQQDNJOFAHF-HHHXNRCGSA-N 1 1 512.541 4.992 1 0 KJAFMO COc1cc2nccc(Oc3ccc(-c4cnc([C@@H]([NH3+])c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000036489456 562061126 /nfs/dbraw/zinc/06/11/26/562061126.db2.gz CFZUQQDNJOFAHF-MHZLTWQESA-N 1 1 512.541 4.992 1 0 KJAFMO C[N@@H+](CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000038140988 562063169 /nfs/dbraw/zinc/06/31/69/562063169.db2.gz CEJNNUYHMGALHW-ISCCLHIJSA-N 1 1 544.142 4.944 1 0 KJAFMO C[N@H+](CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000038140988 562063167 /nfs/dbraw/zinc/06/31/67/562063167.db2.gz CEJNNUYHMGALHW-ISCCLHIJSA-N 1 1 544.142 4.944 1 0 KJAFMO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CC[NH+](CCN4CCOCC4)CC3)ccc2c1 ZINC000038149727 562066180 /nfs/dbraw/zinc/06/61/80/562066180.db2.gz ASNHGCOBIVDYRD-UHFFFAOYSA-N 1 1 601.176 4.766 1 0 KJAFMO CCNC(=O)Nc1ccc2c(c1)C[C@H](N(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000038149788 562066138 /nfs/dbraw/zinc/06/61/38/562066138.db2.gz YUYSYYPQUAIDDZ-XMMPIXPASA-N 1 1 545.103 4.649 1 0 KJAFMO CCNC(=O)Nc1ccc2c(c1)C[C@@H](N(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000038149789 562066152 /nfs/dbraw/zinc/06/61/52/562066152.db2.gz YUYSYYPQUAIDDZ-DEOSSOPVSA-N 1 1 545.103 4.649 1 0 KJAFMO CC(C)CC[N@@H+](C)[C@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)C(C)C ZINC000038150646 562066478 /nfs/dbraw/zinc/06/64/78/562066478.db2.gz WWDGIMCMFUEIKW-SVBPBHIXSA-N 1 1 523.718 4.850 1 0 KJAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152403 562067248 /nfs/dbraw/zinc/06/72/48/562067248.db2.gz ZPOGAAHIGIWSTJ-INJYMACJSA-N 1 1 559.776 4.821 1 0 KJAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152404 562067266 /nfs/dbraw/zinc/06/72/66/562067266.db2.gz ZPOGAAHIGIWSTJ-UFCSOYEJSA-N 1 1 559.776 4.821 1 0 KJAFMO CN(C[C@](C)(CC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152405 562067237 /nfs/dbraw/zinc/06/72/37/562067237.db2.gz HGEYRNZLJKMQLY-LFERIPGTSA-N 1 1 541.758 4.986 1 0 KJAFMO CN(C[C@](C)(CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152406 562067279 /nfs/dbraw/zinc/06/72/79/562067279.db2.gz HGEYRNZLJKMQLY-XWJWOQKWSA-N 1 1 541.758 4.986 1 0 KJAFMO CN(C[C@](C)(CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152407 562067243 /nfs/dbraw/zinc/06/72/43/562067243.db2.gz HGEYRNZLJKMQLY-FLWBZKNBSA-N 1 1 541.758 4.986 1 0 KJAFMO CN(C[C@@H](CC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152415 562067285 /nfs/dbraw/zinc/06/72/85/562067285.db2.gz MRUDBBXMRPEBRY-OBDYRVMHSA-N 1 1 527.731 4.812 1 0 KJAFMO CN(C[C@@H](CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152416 562067245 /nfs/dbraw/zinc/06/72/45/562067245.db2.gz MRUDBBXMRPEBRY-SLQPCKNISA-N 1 1 527.731 4.812 1 0 KJAFMO CN(C[C@@H](CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152417 562067256 /nfs/dbraw/zinc/06/72/56/562067256.db2.gz MRUDBBXMRPEBRY-RGSZASNESA-N 1 1 527.731 4.812 1 0 KJAFMO C[N@@H+](CCCN1C(=O)C[S@@](=O)[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000038153807 562067848 /nfs/dbraw/zinc/06/78/48/562067848.db2.gz SHUKHGHJLUPUAN-DJRZPZLQSA-N 1 1 558.741 4.706 1 0 KJAFMO C[N@@H+](CCCN1C(=O)C[S@@](=O)[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000038153808 562067799 /nfs/dbraw/zinc/06/77/99/562067799.db2.gz SHUKHGHJLUPUAN-IMSFFZSHSA-N 1 1 558.741 4.706 1 0 KJAFMO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2F)CC1 ZINC000038157772 562069420 /nfs/dbraw/zinc/06/94/20/562069420.db2.gz OICWCVOOUHNWCL-GDLZYMKVSA-N 1 1 632.795 4.849 1 0 KJAFMO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2c(F)cccc2F)CC1 ZINC000038157773 562069436 /nfs/dbraw/zinc/06/94/36/562069436.db2.gz UKLYIBLRWMCLRI-MUUNZHRXSA-N 1 1 632.795 4.849 1 0 KJAFMO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2F)CC1 ZINC000038157774 562069448 /nfs/dbraw/zinc/06/94/48/562069448.db2.gz BFJINXQZQCVHLS-MUUNZHRXSA-N 1 1 632.795 4.849 1 0 KJAFMO C[N@H+]1CCCN(c2ccc(C(=O)Nc3c(O)cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000038385033 562071693 /nfs/dbraw/zinc/07/16/93/562071693.db2.gz NPXOVTDQSPOCHS-UHFFFAOYSA-N 1 1 514.413 4.741 1 0 KJAFMO C[N@@H+]1CCCN(c2ccc(C(=O)Nc3c(O)cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000038385033 562071691 /nfs/dbraw/zinc/07/16/91/562071691.db2.gz NPXOVTDQSPOCHS-UHFFFAOYSA-N 1 1 514.413 4.741 1 0 KJAFMO O=C1CSc2ccc(CNC3CC[NH+](CCc4c(Cl)cnc5ccc(Cl)cc54)CC3)nc2N1 ZINC000038579458 562072158 /nfs/dbraw/zinc/07/21/58/562072158.db2.gz PPXYXQNTXLTOTB-UHFFFAOYSA-N 1 1 502.471 4.778 1 0 KJAFMO OC[C@@]1(CCCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H](O5)[C@@H]1O ZINC000040368793 562073120 /nfs/dbraw/zinc/07/31/20/562073120.db2.gz UHQBJVRSTYEWKH-OIDAMGILSA-N 1 1 503.683 4.594 1 0 KJAFMO OC[C@@]1(CCCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H](O5)[C@@H]1O ZINC000040368794 562073130 /nfs/dbraw/zinc/07/31/30/562073130.db2.gz UHQBJVRSTYEWKH-LCYXMKHKSA-N 1 1 503.683 4.594 1 0 KJAFMO COCCN(C(=O)COCc1ccccc1)[C@@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040392998 562073813 /nfs/dbraw/zinc/07/38/13/562073813.db2.gz LLBRWVMYXVTZHI-XDFJSJKPSA-N 1 1 511.666 4.637 1 0 KJAFMO COCCN(C(=O)COCc1ccccc1)[C@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040392999 562073903 /nfs/dbraw/zinc/07/39/03/562073903.db2.gz LLBRWVMYXVTZHI-CDZUIXILSA-N 1 1 511.666 4.637 1 0 KJAFMO COCCN(C(=O)COCc1ccccc1)[C@@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040393000 562073941 /nfs/dbraw/zinc/07/39/41/562073941.db2.gz LLBRWVMYXVTZHI-XLJNKUFUSA-N 1 1 511.666 4.637 1 0 KJAFMO COCCN(C(=O)COCc1ccccc1)[C@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040393001 562073949 /nfs/dbraw/zinc/07/39/49/562073949.db2.gz LLBRWVMYXVTZHI-BHYZAODMSA-N 1 1 511.666 4.637 1 0 KJAFMO COc1ccc(NC2CCN(C(=O)c3ncccc3-c3ccc(C[N@@H+]4C[C@@H](C)N[C@@H](C)C4)cc3)CC2)cc1 ZINC000040394016 562074094 /nfs/dbraw/zinc/07/40/94/562074094.db2.gz QUZMHKMZOAKUDI-ZRZAMGCNSA-N 1 1 513.686 4.656 1 0 KJAFMO COc1ccc(NC2CCN(C(=O)c3ncccc3-c3ccc(C[N@H+]4C[C@@H](C)N[C@@H](C)C4)cc3)CC2)cc1 ZINC000040394016 562074093 /nfs/dbraw/zinc/07/40/93/562074093.db2.gz QUZMHKMZOAKUDI-ZRZAMGCNSA-N 1 1 513.686 4.656 1 0 KJAFMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000040395400 562074463 /nfs/dbraw/zinc/07/44/63/562074463.db2.gz ZSBVCLMPTVSADA-WDJVXPEUSA-N 1 1 520.025 4.746 1 0 KJAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(C(=O)Nc2ccccc2)s1 ZINC000040420306 562075679 /nfs/dbraw/zinc/07/56/79/562075679.db2.gz RPSFIQJOUUTWRS-UHFFFAOYSA-N 1 1 519.627 4.797 1 0 KJAFMO O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CC[NH+]3CCOCC3)c1cc2-c1c(Cl)cccc1Cl ZINC000040423669 562076315 /nfs/dbraw/zinc/07/63/15/562076315.db2.gz CHWPHNBDPFZHBI-UHFFFAOYSA-N 1 1 510.377 4.690 1 0 KJAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCOCC1 ZINC000040428660 562076580 /nfs/dbraw/zinc/07/65/80/562076580.db2.gz ZHUCRPJJILDDBD-GMAHTHKFSA-N 1 1 528.662 4.859 1 0 KJAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCOCC1 ZINC000040428661 562076614 /nfs/dbraw/zinc/07/66/14/562076614.db2.gz ZHUCRPJJILDDBD-JTHBVZDNSA-N 1 1 528.662 4.859 1 0 KJAFMO CCCC1=NC(=O)N[C@@H](c2cccc(C)c2)C1C(=O)OCc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000040466956 562077356 /nfs/dbraw/zinc/07/73/56/562077356.db2.gz TVQHUMAHSJZNHL-NDEPHWFRSA-N 1 1 532.685 4.752 1 0 KJAFMO CCCC1=NC(=O)N[C@H](c2cccc(C)c2)C1C(=O)OCc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000040466957 562077334 /nfs/dbraw/zinc/07/73/34/562077334.db2.gz TVQHUMAHSJZNHL-MUUNZHRXSA-N 1 1 532.685 4.752 1 0 KJAFMO CCCC1=NC(=O)N[C@@H](c2cccc(C)c2)C1C(=O)OCc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000040503763 562077442 /nfs/dbraw/zinc/07/74/42/562077442.db2.gz NKEBXWGZIUFKDE-NDEPHWFRSA-N 1 1 532.685 4.704 1 0 KJAFMO CCCC1=NC(=O)N[C@H](c2cccc(C)c2)C1C(=O)OCc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000040503765 562077540 /nfs/dbraw/zinc/07/75/40/562077540.db2.gz NKEBXWGZIUFKDE-MUUNZHRXSA-N 1 1 532.685 4.704 1 0 KJAFMO OC[C@@]1(CCCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@H](O5)[C@@H]1O ZINC000040631828 562078593 /nfs/dbraw/zinc/07/85/93/562078593.db2.gz FWWLQSGXUXHCIC-PHOVXCMKSA-N 1 1 517.710 4.984 1 0 KJAFMO OC[C@@]1(CCCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@H](O5)[C@@H]1O ZINC000040631830 562078595 /nfs/dbraw/zinc/07/85/95/562078595.db2.gz FWWLQSGXUXHCIC-QAVLETOXSA-N 1 1 517.710 4.984 1 0 KJAFMO OC[C@@]1(CCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@H](O5)[C@@H]1O ZINC000040639457 562078667 /nfs/dbraw/zinc/07/86/67/562078667.db2.gz JEGZKRAAOSMLMY-OIDAMGILSA-N 1 1 503.683 4.594 1 0 KJAFMO OC[C@@]1(CCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@H](O5)[C@@H]1O ZINC000040639459 562078709 /nfs/dbraw/zinc/07/87/09/562078709.db2.gz JEGZKRAAOSMLMY-LCYXMKHKSA-N 1 1 503.683 4.594 1 0 KJAFMO Cc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1CC[NH+]1CCOCC1 ZINC000040764268 562079596 /nfs/dbraw/zinc/07/95/96/562079596.db2.gz QGGGRLPYOQYBBT-UHFFFAOYSA-N 1 1 506.031 4.758 1 0 KJAFMO CCCc1c(C(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1 ZINC000040810649 562079851 /nfs/dbraw/zinc/07/98/51/562079851.db2.gz HEKOGNYDDZRAAJ-UHFFFAOYSA-N 1 1 529.516 4.918 1 0 KJAFMO O=C(COc1cccc(Cl)c1)NC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)C1 ZINC000040845636 562080270 /nfs/dbraw/zinc/08/02/70/562080270.db2.gz FOTCYCGIASGDDZ-SFHVURJKSA-N 1 1 506.956 4.952 1 0 KJAFMO O=C(COc1cccc(Cl)c1)NC[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)C1 ZINC000040845638 562080281 /nfs/dbraw/zinc/08/02/81/562080281.db2.gz FOTCYCGIASGDDZ-GOSISDBHSA-N 1 1 506.956 4.952 1 0 KJAFMO Cc1cccc(C)c1/C=C/n1cnc2c1nc(N1CC[NH+](C)CC1)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040846486 562080275 /nfs/dbraw/zinc/08/02/75/562080275.db2.gz LHZOGDYGAMOXIH-BUHFOSPRSA-N 1 1 515.602 4.814 1 0 KJAFMO CC[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1ccc(Oc2ccccc2)nc1 ZINC000040863103 562080911 /nfs/dbraw/zinc/08/09/11/562080911.db2.gz BOTRSCKTZKZHFS-UHFFFAOYSA-N 1 1 526.062 4.788 1 0 KJAFMO COCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040864032 562081122 /nfs/dbraw/zinc/08/11/22/562081122.db2.gz OLJGWSMIBZZDKN-XDFJSJKPSA-N 1 1 511.666 4.672 1 0 KJAFMO COCCN(C(=O)Cc1cccc(OC)c1)[C@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040864034 562081135 /nfs/dbraw/zinc/08/11/35/562081135.db2.gz OLJGWSMIBZZDKN-CDZUIXILSA-N 1 1 511.666 4.672 1 0 KJAFMO COCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040864036 562081155 /nfs/dbraw/zinc/08/11/55/562081155.db2.gz OLJGWSMIBZZDKN-XLJNKUFUSA-N 1 1 511.666 4.672 1 0 KJAFMO COCCN(C(=O)Cc1cccc(OC)c1)[C@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040864038 562081182 /nfs/dbraw/zinc/08/11/82/562081182.db2.gz OLJGWSMIBZZDKN-BHYZAODMSA-N 1 1 511.666 4.672 1 0 KJAFMO CC[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000040874872 562081977 /nfs/dbraw/zinc/08/19/77/562081977.db2.gz RYNOHBTVPACALD-UHFFFAOYSA-N 1 1 526.106 4.820 1 0 KJAFMO Cc1cc(NC(=O)CN2CC[NH+](C)CC2)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 ZINC000040876685 562082179 /nfs/dbraw/zinc/08/21/79/562082179.db2.gz MLJMQLCYEUSRKR-UHFFFAOYSA-N 1 1 501.418 4.680 1 0 KJAFMO Cc1cc(NC(=O)CN2CC[NH+](C)CC2)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2n1 ZINC000040876688 562082183 /nfs/dbraw/zinc/08/21/83/562082183.db2.gz GRVVAUJTWQMLNM-UHFFFAOYSA-N 1 1 501.418 4.680 1 0 KJAFMO CN1C[C@](C)(NC(=O)Nc2nc(C(C)(C)C)cs2)[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O ZINC000040891748 562082717 /nfs/dbraw/zinc/08/27/17/562082717.db2.gz UKCCRJLNYAYHBT-JQXZYWDBSA-N 1 1 531.698 4.865 1 0 KJAFMO CN1C[C@@](C)(NC(=O)Nc2nc(C(C)(C)C)cs2)[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O ZINC000040891749 562082773 /nfs/dbraw/zinc/08/27/73/562082773.db2.gz UKCCRJLNYAYHBT-QNXIHNPRSA-N 1 1 531.698 4.865 1 0 KJAFMO CN1C[C@](C)(NC(=O)Nc2nc(C(C)(C)C)cs2)[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O ZINC000040891750 562082726 /nfs/dbraw/zinc/08/27/26/562082726.db2.gz UKCCRJLNYAYHBT-JNMBUGSCSA-N 1 1 531.698 4.865 1 0 KJAFMO CN1C[C@@](C)(NC(=O)Nc2nc(C(C)(C)C)cs2)[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O ZINC000040891751 562082756 /nfs/dbraw/zinc/08/27/56/562082756.db2.gz UKCCRJLNYAYHBT-FBIATWESSA-N 1 1 531.698 4.865 1 0 KJAFMO COCCCN(Cc1ccccc1-c1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)C(=O)Cc1ccccc1 ZINC000040901051 562083552 /nfs/dbraw/zinc/08/35/52/562083552.db2.gz XWWNTIGKCRVAOW-UHFFFAOYSA-N 1 1 513.682 4.626 1 0 KJAFMO CCNC(=O)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1 ZINC000040914030 562083758 /nfs/dbraw/zinc/08/37/58/562083758.db2.gz XQWKNLJIWOTOKT-QFIPXVFZSA-N 1 1 504.506 4.703 1 0 KJAFMO CCNC(=O)c1cnc(N2CC[N@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1 ZINC000040914030 562083757 /nfs/dbraw/zinc/08/37/57/562083757.db2.gz XQWKNLJIWOTOKT-QFIPXVFZSA-N 1 1 504.506 4.703 1 0 KJAFMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccc(O)cc3)c3c1[C@H](C2)[N@@H+](C)CC3 ZINC000040917313 562084161 /nfs/dbraw/zinc/08/41/61/562084161.db2.gz NTOCQSSEFWOMSC-DDVUFSRBSA-N 1 1 530.621 4.508 1 0 KJAFMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccc(O)cc3)c3c1[C@H](C2)[N@H+](C)CC3 ZINC000040917313 562084160 /nfs/dbraw/zinc/08/41/60/562084160.db2.gz NTOCQSSEFWOMSC-DDVUFSRBSA-N 1 1 530.621 4.508 1 0 KJAFMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccc(O)cc3)c3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000040917315 562084137 /nfs/dbraw/zinc/08/41/37/562084137.db2.gz NTOCQSSEFWOMSC-NOENIZQJSA-N 1 1 530.621 4.508 1 0 KJAFMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccc(O)cc3)c3c1[C@@H](C2)[N@H+](C)CC3 ZINC000040917315 562084136 /nfs/dbraw/zinc/08/41/36/562084136.db2.gz NTOCQSSEFWOMSC-NOENIZQJSA-N 1 1 530.621 4.508 1 0 KJAFMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccccc3O)c3c1[C@H](C2)[N@@H+](C)CC3 ZINC000040917358 562084085 /nfs/dbraw/zinc/08/40/85/562084085.db2.gz PKGYRTRTTHPMHR-YSESTWPTSA-N 1 1 530.621 4.508 1 0 KJAFMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccccc3O)c3c1[C@H](C2)[N@H+](C)CC3 ZINC000040917358 562084082 /nfs/dbraw/zinc/08/40/82/562084082.db2.gz PKGYRTRTTHPMHR-YSESTWPTSA-N 1 1 530.621 4.508 1 0 KJAFMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccccc3O)c3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000040917360 562084107 /nfs/dbraw/zinc/08/41/07/562084107.db2.gz PKGYRTRTTHPMHR-BREAQWACSA-N 1 1 530.621 4.508 1 0 KJAFMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccccc3O)c3c1[C@@H](C2)[N@H+](C)CC3 ZINC000040917360 562084106 /nfs/dbraw/zinc/08/41/06/562084106.db2.gz PKGYRTRTTHPMHR-BREAQWACSA-N 1 1 530.621 4.508 1 0 KJAFMO Cc1cc(N2CCC([NH+](C)C)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000040918997 562084444 /nfs/dbraw/zinc/08/44/44/562084444.db2.gz HEBKCUAEAWNUQL-XMMPIXPASA-N 1 1 521.065 4.556 1 0 KJAFMO CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CC[NH+](CCOC)CC1 ZINC000040934324 562084745 /nfs/dbraw/zinc/08/47/45/562084745.db2.gz YQJPMDHVMJQUKV-UHFFFAOYSA-N 1 1 518.445 4.551 1 0 KJAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000040938246 562085548 /nfs/dbraw/zinc/08/55/48/562085548.db2.gz GRNHXZNKYAJKJN-XMMPIXPASA-N 1 1 534.726 4.668 1 0 KJAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000040938248 562085465 /nfs/dbraw/zinc/08/54/65/562085465.db2.gz GRNHXZNKYAJKJN-DEOSSOPVSA-N 1 1 534.726 4.668 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000040951810 562086170 /nfs/dbraw/zinc/08/61/70/562086170.db2.gz SGHBDLOMRUXKQF-FTJBHMTQSA-N 1 1 516.638 4.667 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000040951810 562086168 /nfs/dbraw/zinc/08/61/68/562086168.db2.gz SGHBDLOMRUXKQF-FTJBHMTQSA-N 1 1 516.638 4.667 1 0 KJAFMO C[C@@H]([N@@H+](C)Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C ZINC000040954644 562086540 /nfs/dbraw/zinc/08/65/40/562086540.db2.gz KWVOXKDNAQPLPP-QGZVFWFLSA-N 1 1 508.692 5.378 1 0 KJAFMO CCCCC[N@@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000040955637 562086580 /nfs/dbraw/zinc/08/65/80/562086580.db2.gz LFHWFPNRUHWUDR-FQEVSTJZSA-N 1 1 503.492 4.840 1 0 KJAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(NCc3ccc(Cl)cc3)c2cc1OC ZINC000040955800 562086562 /nfs/dbraw/zinc/08/65/62/562086562.db2.gz JUTQNVZXCFFRSI-FQEVSTJZSA-N 1 1 526.081 4.586 1 0 KJAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(NCc3ccc(Cl)cc3)c2cc1OC ZINC000040955803 562086569 /nfs/dbraw/zinc/08/65/69/562086569.db2.gz JUTQNVZXCFFRSI-HXUWFJFHSA-N 1 1 526.081 4.586 1 0 KJAFMO C[C@H]([N@@H+](C)Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C(C)(C)C ZINC000040956208 562086704 /nfs/dbraw/zinc/08/67/04/562086704.db2.gz KWVOXKDNAQPLPP-KRWDZBQOSA-N 1 1 508.692 5.378 1 0 KJAFMO C[N@@H+](Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)C1CCCCC1 ZINC000040956941 562086729 /nfs/dbraw/zinc/08/67/29/562086729.db2.gz NBGLUPSFCNIDOO-UHFFFAOYSA-N 1 1 506.676 5.276 1 0 KJAFMO C[NH+]1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Br)cc2)CC1 ZINC000040980862 562087521 /nfs/dbraw/zinc/08/75/21/562087521.db2.gz FKQPSDBGDPLQAS-UHFFFAOYSA-N 1 1 509.235 4.501 1 0 KJAFMO O=C(Nc1cccc2c3c([nH]c21)[C@H]1Oc2c4c(ccc2O)C[C@H]2[N@H+](CC5CC5)CC[C@]41[C@@]2(O)C3)c1ccccc1 ZINC000042764516 562087564 /nfs/dbraw/zinc/08/75/64/562087564.db2.gz LNXAIUOZIUCGBQ-QZOULDPWSA-N 1 1 533.628 4.825 1 0 KJAFMO O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(OC(=O)Cc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000042802845 562087908 /nfs/dbraw/zinc/08/79/08/562087908.db2.gz GEMSCYQOJWLPOF-HZLVXORQSA-N 1 1 590.720 4.948 1 0 KJAFMO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000042806364 562089490 /nfs/dbraw/zinc/08/94/90/562089490.db2.gz HQJKXXCKVVSSKL-HOKHCIIBSA-N 1 1 599.741 4.625 1 0 KJAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2C2CCCCC2)c1OC ZINC000043022244 562644998 /nfs/dbraw/zinc/64/49/98/562644998.db2.gz ZUYBUZQESBVOMM-DBQZHCBRSA-N 1 1 526.641 4.760 1 0 KJAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2C2CCCCC2)c1OC ZINC000043022247 562645003 /nfs/dbraw/zinc/64/50/03/562645003.db2.gz ZUYBUZQESBVOMM-QSRYBZNWSA-N 1 1 526.641 4.760 1 0 KJAFMO COc1ccccc1C(=O)N1CCC(=CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc4cc(F)ccc4c3)C2)CC1 ZINC000043024079 562645020 /nfs/dbraw/zinc/64/50/20/562645020.db2.gz IJNQDTPSBBJNGA-AREMUKBSSA-N 1 1 501.602 4.541 1 0 KJAFMO COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)cc1 ZINC000043025592 562645090 /nfs/dbraw/zinc/64/50/90/562645090.db2.gz NBEBRANGMLOBMY-HHHXNRCGSA-N 1 1 501.602 4.541 1 0 KJAFMO COc1cccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)c1 ZINC000043060041 562645139 /nfs/dbraw/zinc/64/51/39/562645139.db2.gz NBOPVSYZBBKACL-HHHXNRCGSA-N 1 1 501.602 4.541 1 0 KJAFMO CC(C)N(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O ZINC000043063442 562645260 /nfs/dbraw/zinc/64/52/60/562645260.db2.gz VJHTXZAEBALHDW-YIKNKFAXSA-N 1 1 596.829 4.542 1 0 KJAFMO O=C(CN1CC[NH+](Cc2ccc3cc(OCc4ccccc4)ccc3c2)CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000043064061 562645283 /nfs/dbraw/zinc/64/52/83/562645283.db2.gz ISYWTGLSIRJHFE-UHFFFAOYSA-N 1 1 536.632 4.506 1 0 KJAFMO C[N@H+]1CCC[C@H](COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1 ZINC000043070973 562645536 /nfs/dbraw/zinc/64/55/36/562645536.db2.gz BEVOVTPAOFRXPQ-HNNXBMFYSA-N 1 1 516.299 4.966 1 0 KJAFMO C[N@H+]1CCC[C@@H](COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1 ZINC000043070976 562645571 /nfs/dbraw/zinc/64/55/71/562645571.db2.gz BEVOVTPAOFRXPQ-OAHLLOKOSA-N 1 1 516.299 4.966 1 0 KJAFMO COc1ccc(COc2ccc3cc(C[NH+]4CCN(CC(=O)Nc5ccc6c(c5)OCC(=O)N6)CC4)ccc3c2)cc1 ZINC000043071008 562645569 /nfs/dbraw/zinc/64/55/69/562645569.db2.gz KJIAEOABWVUHQG-UHFFFAOYSA-N 1 1 566.658 4.515 1 0 KJAFMO O=C(C=C1CCN(C(=O)c2ccc(Cl)cc2O)CC1)N[C@@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3c2)C1 ZINC000043074620 562645639 /nfs/dbraw/zinc/64/56/39/562645639.db2.gz ADGYFBWBQIOUQC-RUZDIDTESA-N 1 1 522.020 4.891 1 0 KJAFMO Cc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)c(O)c1 ZINC000043119220 562646020 /nfs/dbraw/zinc/64/60/20/562646020.db2.gz YRRCANFVAJKRKS-AREMUKBSSA-N 1 1 501.602 4.546 1 0 KJAFMO C[C@@H](NC(=O)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Br)cc1 ZINC000043119423 562646014 /nfs/dbraw/zinc/64/60/14/562646014.db2.gz XYYXDXYGBFWDKY-HXUWFJFHSA-N 1 1 536.470 4.987 1 0 KJAFMO COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)cc1OC ZINC000043120455 562646098 /nfs/dbraw/zinc/64/60/98/562646098.db2.gz YKGYCRCKDMNYMC-HHHXNRCGSA-N 1 1 531.628 4.549 1 0 KJAFMO Cc1ccc(COc2ccc3cc(C[NH+]4CCN(CC(=O)Nc5ccc6c(c5)OCC(=O)N6)CC4)ccc3c2)cc1 ZINC000043120520 562646103 /nfs/dbraw/zinc/64/61/03/562646103.db2.gz SRQXDKCALARPRY-UHFFFAOYSA-N 1 1 550.659 4.814 1 0 KJAFMO CN(C)CC[NH2+][C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000043524266 562648967 /nfs/dbraw/zinc/64/89/67/562648967.db2.gz LVQIXKQBYZMSKN-SFHVURJKSA-N 1 1 526.319 4.995 1 0 KJAFMO CN(C)CC[NH2+][C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000043524269 562648960 /nfs/dbraw/zinc/64/89/60/562648960.db2.gz LVQIXKQBYZMSKN-GOSISDBHSA-N 1 1 526.319 4.995 1 0 KJAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(F)cc4[nH+]3)[C@H]2SC1 ZINC000043628058 562650306 /nfs/dbraw/zinc/65/03/06/562650306.db2.gz BSEGRNAFIKTZAI-UFHPHHKVSA-N 1 1 572.618 4.548 1 0 KJAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(F)cc4[nH+]3)[C@@H]2SC1 ZINC000043628061 562650315 /nfs/dbraw/zinc/65/03/15/562650315.db2.gz BSEGRNAFIKTZAI-YWEHKCAJSA-N 1 1 572.618 4.548 1 0 KJAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4cccc(C)c4[nH+]3)[C@H]2SC1 ZINC000043628142 562650363 /nfs/dbraw/zinc/65/03/63/562650363.db2.gz ISDAUNBPOQSUPX-VAVYLYDRSA-N 1 1 568.655 4.717 1 0 KJAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4c(cccc4C)[nH+]3)[C@H]2SC1 ZINC000043628142 562650362 /nfs/dbraw/zinc/65/03/62/562650362.db2.gz ISDAUNBPOQSUPX-VAVYLYDRSA-N 1 1 568.655 4.717 1 0 KJAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4cccc(C)c4[nH+]3)[C@@H]2SC1 ZINC000043628146 562650372 /nfs/dbraw/zinc/65/03/72/562650372.db2.gz ISDAUNBPOQSUPX-IRPSRAIASA-N 1 1 568.655 4.717 1 0 KJAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4c(cccc4C)[nH+]3)[C@@H]2SC1 ZINC000043628146 562650371 /nfs/dbraw/zinc/65/03/71/562650371.db2.gz ISDAUNBPOQSUPX-IRPSRAIASA-N 1 1 568.655 4.717 1 0 KJAFMO C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000043640992 562650392 /nfs/dbraw/zinc/65/03/92/562650392.db2.gz UPUAOIBNQPKHHU-QPGXSWFSSA-N 1 1 558.767 4.556 1 0 KJAFMO C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000043640993 562650419 /nfs/dbraw/zinc/65/04/19/562650419.db2.gz UPUAOIBNQPKHHU-NDHDHVJCSA-N 1 1 558.767 4.556 1 0 KJAFMO C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000043640994 562650445 /nfs/dbraw/zinc/65/04/45/562650445.db2.gz UPUAOIBNQPKHHU-WXZAIELKSA-N 1 1 558.767 4.556 1 0 KJAFMO C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000043640995 562650407 /nfs/dbraw/zinc/65/04/07/562650407.db2.gz UPUAOIBNQPKHHU-ZKMGGTLUSA-N 1 1 558.767 4.556 1 0 KJAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(C)cc4[nH+]3)[C@H]2SC1 ZINC000043649091 562650564 /nfs/dbraw/zinc/65/05/64/562650564.db2.gz CLBHBPHMHPTRIQ-VAVYLYDRSA-N 1 1 568.655 4.717 1 0 KJAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(C)cc4[nH+]3)[C@@H]2SC1 ZINC000043649094 562650559 /nfs/dbraw/zinc/65/05/59/562650559.db2.gz CLBHBPHMHPTRIQ-IRPSRAIASA-N 1 1 568.655 4.717 1 0 KJAFMO CN(C)CC[NH2+][C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000044032051 562651719 /nfs/dbraw/zinc/65/17/19/562651719.db2.gz PWTZEFOOVNEYBB-SFHVURJKSA-N 1 1 526.319 4.995 1 0 KJAFMO CN(C)CC[NH2+][C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000044032053 562651731 /nfs/dbraw/zinc/65/17/31/562651731.db2.gz PWTZEFOOVNEYBB-GOSISDBHSA-N 1 1 526.319 4.995 1 0 KJAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044053333 562651967 /nfs/dbraw/zinc/65/19/67/562651967.db2.gz KUXHWZODZYLZJX-AREMUKBSSA-N 1 1 556.411 4.591 1 0 KJAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044053336 562651993 /nfs/dbraw/zinc/65/19/93/562651993.db2.gz KUXHWZODZYLZJX-SANMLTNESA-N 1 1 556.411 4.591 1 0 KJAFMO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4c[nH]cn4)c3Cl)c2n1 ZINC000044221744 562652683 /nfs/dbraw/zinc/65/26/83/562652683.db2.gz YDFGFQBXRVQTAF-UHFFFAOYSA-N 1 1 619.575 4.505 1 0 KJAFMO O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)NCCN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000044281639 562653183 /nfs/dbraw/zinc/65/31/83/562653183.db2.gz UGLNKUZEORXULS-UHFFFAOYSA-N 1 1 581.117 4.615 1 0 KJAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)CCc3ccccc3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000044281651 562653196 /nfs/dbraw/zinc/65/31/96/562653196.db2.gz RILASFCKKNXOEA-LXANVCGNSA-N 1 1 597.756 4.728 1 0 KJAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000044305877 562653600 /nfs/dbraw/zinc/65/36/00/562653600.db2.gz WLYRERZDPMFDFL-VPUSJEBWSA-N 1 1 598.622 4.711 1 0 KJAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000044305877 562653599 /nfs/dbraw/zinc/65/35/99/562653599.db2.gz WLYRERZDPMFDFL-VPUSJEBWSA-N 1 1 598.622 4.711 1 0 KJAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000044305880 562653558 /nfs/dbraw/zinc/65/35/58/562653558.db2.gz WLYRERZDPMFDFL-BDYUSTAISA-N 1 1 598.622 4.711 1 0 KJAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000044305880 562653557 /nfs/dbraw/zinc/65/35/57/562653557.db2.gz WLYRERZDPMFDFL-BDYUSTAISA-N 1 1 598.622 4.711 1 0 KJAFMO CCC[N@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307852 562654129 /nfs/dbraw/zinc/65/41/29/562654129.db2.gz JGMQOJSHZALBEB-RRPNLBNLSA-N 1 1 634.769 4.544 1 0 KJAFMO CCC[N@@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307852 562654128 /nfs/dbraw/zinc/65/41/28/562654128.db2.gz JGMQOJSHZALBEB-RRPNLBNLSA-N 1 1 634.769 4.544 1 0 KJAFMO CCC[N@H+]1CC[C@@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307857 562654116 /nfs/dbraw/zinc/65/41/16/562654116.db2.gz JGMQOJSHZALBEB-KAYWLYCHSA-N 1 1 634.769 4.544 1 0 KJAFMO CCC[N@@H+]1CC[C@@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000044307857 562654115 /nfs/dbraw/zinc/65/41/15/562654115.db2.gz JGMQOJSHZALBEB-KAYWLYCHSA-N 1 1 634.769 4.544 1 0 KJAFMO CC(C)(C)CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000044352075 562654967 /nfs/dbraw/zinc/65/49/67/562654967.db2.gz NRLJWPWRBPODBR-VWLOTQADSA-N 1 1 629.767 4.708 1 0 KJAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)NCc3ccccc3Cl)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000044352424 562655136 /nfs/dbraw/zinc/65/51/36/562655136.db2.gz YMOHKWJTFCXWAK-DLFZDVPBSA-N 1 1 604.147 4.997 1 0 KJAFMO Oc1ccc2c3c1O[C@H]1c4c(c5cc(OC(F)(F)F)cc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000044358396 562655297 /nfs/dbraw/zinc/65/52/97/562655297.db2.gz CPDVSKQJFKCYLY-KZNIJNHCSA-N 1 1 538.566 4.891 1 0 KJAFMO CN(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000044359188 562655421 /nfs/dbraw/zinc/65/54/21/562655421.db2.gz USWZFZBUKBVRAS-FFMBPBDISA-N 1 1 554.609 4.516 1 0 KJAFMO COCC[NH+](CCOC)C1CCN(c2cc3[nH]c(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)nc3c(C)c2)CC1 ZINC000044359270 562655461 /nfs/dbraw/zinc/65/54/61/562655461.db2.gz MTUYBYGTWUVARZ-MUUNZHRXSA-N 1 1 609.171 4.589 1 0 KJAFMO COc1cc(/C=C/C(=O)NCc2c3c4c(c(OC)c2OC)-c2cc(OC)c(OC)cc2C[C@@H]4[N@H+](C)CC3)ccc1O ZINC000044359616 562655491 /nfs/dbraw/zinc/65/54/91/562655491.db2.gz HPJFIDKZFXINSA-LBQODKDLSA-N 1 1 560.647 4.517 1 0 KJAFMO COc1cc(/C=C/C(=O)NCc2c3c4c(c(OC)c2OC)-c2cc(OC)c(OC)cc2C[C@@H]4[N@@H+](C)CC3)ccc1O ZINC000044359616 562655490 /nfs/dbraw/zinc/65/54/90/562655490.db2.gz HPJFIDKZFXINSA-LBQODKDLSA-N 1 1 560.647 4.517 1 0 KJAFMO COc1cc(/C=C/C(=O)NCc2c3c4c(c(OC)c2OC)-c2cc(OC)c(OC)cc2C[C@H]4[N@H+](C)CC3)ccc1O ZINC000044359621 562655488 /nfs/dbraw/zinc/65/54/88/562655488.db2.gz HPJFIDKZFXINSA-YIEPXFBBSA-N 1 1 560.647 4.517 1 0 KJAFMO COc1cc(/C=C/C(=O)NCc2c3c4c(c(OC)c2OC)-c2cc(OC)c(OC)cc2C[C@H]4[N@@H+](C)CC3)ccc1O ZINC000044359621 562655487 /nfs/dbraw/zinc/65/54/87/562655487.db2.gz HPJFIDKZFXINSA-YIEPXFBBSA-N 1 1 560.647 4.517 1 0 KJAFMO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc(C)cn1 ZINC000044361968 562655789 /nfs/dbraw/zinc/65/57/89/562655789.db2.gz MMLZVVUSFLUJIM-UHFFFAOYSA-N 1 1 609.683 4.694 1 0 KJAFMO COCC[NH+]1CCC(c2cc3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c(C)c2)CC1 ZINC000044406200 562656828 /nfs/dbraw/zinc/65/68/28/562656828.db2.gz PSHCEXAQPYCQDU-RUZDIDTESA-N 1 1 536.076 4.851 1 0 KJAFMO O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2[N@H+]1CC1CCCCC1 ZINC000044417488 562657118 /nfs/dbraw/zinc/65/71/18/562657118.db2.gz ARTMKCBBWGSNKB-KTTBDGARSA-N 1 1 527.665 4.501 1 0 KJAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000044430361 562657490 /nfs/dbraw/zinc/65/74/90/562657490.db2.gz MWUCVKDLGAYKNO-ZRZAMGCNSA-N 1 1 528.672 4.710 1 0 KJAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000044430361 562657489 /nfs/dbraw/zinc/65/74/89/562657489.db2.gz MWUCVKDLGAYKNO-ZRZAMGCNSA-N 1 1 528.672 4.710 1 0 KJAFMO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045167478 562658032 /nfs/dbraw/zinc/65/80/32/562658032.db2.gz RRJZDTRVJJXNHA-UHFFFAOYSA-N 1 1 502.562 4.945 1 0 KJAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC000045168619 562658167 /nfs/dbraw/zinc/65/81/67/562658167.db2.gz QPMKDHBUNBEBDE-JOCHJYFZSA-N 1 1 509.594 4.891 1 0 KJAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC000045168621 562658128 /nfs/dbraw/zinc/65/81/28/562658128.db2.gz QPMKDHBUNBEBDE-QFIPXVFZSA-N 1 1 509.594 4.891 1 0 KJAFMO CS(=O)(=O)NCCC[NH2+]Cc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 ZINC000045187963 562658251 /nfs/dbraw/zinc/65/82/51/562658251.db2.gz UGTCMKLELRVMFI-UHFFFAOYSA-N 1 1 502.562 4.945 1 0 KJAFMO CS(=O)(=O)NCCC[NH2+]Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045188240 562658273 /nfs/dbraw/zinc/65/82/73/562658273.db2.gz KONJGGBTIJHXTR-UHFFFAOYSA-N 1 1 502.562 4.945 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000045188696 562658343 /nfs/dbraw/zinc/65/83/43/562658343.db2.gz BVGSWBPAAQTSBE-QFIPXVFZSA-N 1 1 503.546 4.511 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000045188696 562658342 /nfs/dbraw/zinc/65/83/42/562658342.db2.gz BVGSWBPAAQTSBE-QFIPXVFZSA-N 1 1 503.546 4.511 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000045188699 562658331 /nfs/dbraw/zinc/65/83/31/562658331.db2.gz BVGSWBPAAQTSBE-JOCHJYFZSA-N 1 1 503.546 4.511 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000045188699 562658330 /nfs/dbraw/zinc/65/83/30/562658330.db2.gz BVGSWBPAAQTSBE-JOCHJYFZSA-N 1 1 503.546 4.511 1 0 KJAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000045188883 562658364 /nfs/dbraw/zinc/65/83/64/562658364.db2.gz TWLGOWRBALKPOR-JOCHJYFZSA-N 1 1 509.594 4.891 1 0 KJAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000045188886 562658305 /nfs/dbraw/zinc/65/83/05/562658305.db2.gz TWLGOWRBALKPOR-QFIPXVFZSA-N 1 1 509.594 4.891 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000045191315 562658587 /nfs/dbraw/zinc/65/85/87/562658587.db2.gz UTTHISPTRZTOEB-JOCHJYFZSA-N 1 1 509.594 4.891 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000045191318 562658578 /nfs/dbraw/zinc/65/85/78/562658578.db2.gz UTTHISPTRZTOEB-QFIPXVFZSA-N 1 1 509.594 4.891 1 0 KJAFMO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045192145 562658637 /nfs/dbraw/zinc/65/86/37/562658637.db2.gz ZAOCATVLQMQLAB-UHFFFAOYSA-N 1 1 502.562 4.945 1 0 KJAFMO C[NH+](C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(c3)ncn(CCN3CCCCC3)c4=O)cc2)c1 ZINC000045193008 562658728 /nfs/dbraw/zinc/65/87/28/562658728.db2.gz PNQLWMSKOAHPQP-UHFFFAOYSA-N 1 1 509.654 4.863 1 0 KJAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000045194211 562658820 /nfs/dbraw/zinc/65/88/20/562658820.db2.gz MBPKTUPCEHVKIU-MRSBXDGLSA-N 1 1 518.441 4.526 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000045196130 562658949 /nfs/dbraw/zinc/65/89/49/562658949.db2.gz YLYKHSZNTSTWQX-QFIPXVFZSA-N 1 1 503.546 4.511 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000045196130 562658948 /nfs/dbraw/zinc/65/89/48/562658948.db2.gz YLYKHSZNTSTWQX-QFIPXVFZSA-N 1 1 503.546 4.511 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000045196133 562658924 /nfs/dbraw/zinc/65/89/24/562658924.db2.gz YLYKHSZNTSTWQX-JOCHJYFZSA-N 1 1 503.546 4.511 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000045196133 562658923 /nfs/dbraw/zinc/65/89/23/562658923.db2.gz YLYKHSZNTSTWQX-JOCHJYFZSA-N 1 1 503.546 4.511 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC000045201036 562659013 /nfs/dbraw/zinc/65/90/13/562659013.db2.gz NUMDVQMAGKMYLD-JOCHJYFZSA-N 1 1 509.594 4.891 1 0 KJAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)c1 ZINC000045201038 562658990 /nfs/dbraw/zinc/65/89/90/562658990.db2.gz NUMDVQMAGKMYLD-QFIPXVFZSA-N 1 1 509.594 4.891 1 0 KJAFMO COc1ccc(C2CCN(CC[NH+]3CCC(NC(=O)c4cccc(-c5ccncc5)c4)CC3)CC2)c(OC)c1 ZINC000045202649 562659256 /nfs/dbraw/zinc/65/92/56/562659256.db2.gz XGHMBTNYMMKXSQ-UHFFFAOYSA-N 1 1 528.697 4.840 1 0 KJAFMO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000045228038 562659422 /nfs/dbraw/zinc/65/94/22/562659422.db2.gz ZMUIBDKQGDLRIH-FWPKSBLBSA-N 1 1 514.457 4.742 1 0 KJAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1F ZINC000045230984 562659614 /nfs/dbraw/zinc/65/96/14/562659614.db2.gz RJQWMXDVHDLGRC-DWACAAAGSA-N 1 1 512.069 4.934 1 0 KJAFMO C[C@H](Cc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1F ZINC000045230988 562659658 /nfs/dbraw/zinc/65/96/58/562659658.db2.gz RJQWMXDVHDLGRC-DFHRPNOPSA-N 1 1 512.069 4.934 1 0 KJAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1F ZINC000045230993 562659641 /nfs/dbraw/zinc/65/96/41/562659641.db2.gz RJQWMXDVHDLGRC-RBISFHTESA-N 1 1 512.069 4.934 1 0 KJAFMO C[C@H](Cc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1F ZINC000045230997 562659653 /nfs/dbraw/zinc/65/96/53/562659653.db2.gz RJQWMXDVHDLGRC-SKCUWOTOSA-N 1 1 512.069 4.934 1 0 KJAFMO CC1=N[C@@H]2C=C3CC[N@@H+](CCCSc4nnc(-c5cccc6nc(C)ccc65)n4C)CCC3=C[C@H]2O1 ZINC000045284309 562660077 /nfs/dbraw/zinc/66/00/77/562660077.db2.gz UWMNNXYMOFTXGP-CLJLJLNGSA-N 1 1 500.672 4.969 1 0 KJAFMO CC1=N[C@H]2C=C3CC[N@@H+](CCCSc4nnc(-c5cccc6nc(C)ccc65)n4C)CCC3=C[C@H]2O1 ZINC000045284311 562660153 /nfs/dbraw/zinc/66/01/53/562660153.db2.gz UWMNNXYMOFTXGP-IZZNHLLZSA-N 1 1 500.672 4.969 1 0 KJAFMO COc1ccc2c(c1)CN(C)[C@@](C)(C(=O)N[C@H](C[N@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2 ZINC000045287405 562660225 /nfs/dbraw/zinc/66/02/25/562660225.db2.gz PGPLWUFZXSONLE-NSPDZHQZSA-N 1 1 507.719 4.588 1 0 KJAFMO CC[C@H](C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@@]1(C)Cc2ccc(O)cc2CN1 ZINC000045290060 562660295 /nfs/dbraw/zinc/66/02/95/562660295.db2.gz DAJWTURPBVTSIB-FAEOHAEXSA-N 1 1 507.719 4.636 1 0 KJAFMO CC[C@H](C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@]1(C)Cc2ccc(OC)cc2CN1 ZINC000045300582 562660436 /nfs/dbraw/zinc/66/04/36/562660436.db2.gz GGBNTYXPXJWTGG-FAEOHAEXSA-N 1 1 507.719 4.636 1 0 KJAFMO COc1cccc([C@]2(C)CC[N@H+](C[C@@H](NC(=O)[C@@]3(C)Cc4ccc(OC)cc4CN3)C(C)C)C[C@@H]2C)c1 ZINC000045301062 562660494 /nfs/dbraw/zinc/66/04/94/562660494.db2.gz DYBGUYRXHWGUMN-NSPDZHQZSA-N 1 1 507.719 4.549 1 0 KJAFMO COc1cc2[nH+]c(N3C[C@@H](C)N(C(=O)Cc4ccc(-c5ccccc5)cc4)[C@@H](C)C3)nc(N)c2cc1OC ZINC000045335038 562661330 /nfs/dbraw/zinc/66/13/30/562661330.db2.gz CDSONCDPWDZFND-BGYRXZFFSA-N 1 1 511.626 4.565 1 0 KJAFMO COc1cc2[nH+]c(N3C[C@H](C)N(C(=O)Cc4ccc(-c5ccccc5)cc4)[C@@H](C)C3)nc(N)c2cc1OC ZINC000045335040 562661344 /nfs/dbraw/zinc/66/13/44/562661344.db2.gz CDSONCDPWDZFND-PMACEKPBSA-N 1 1 511.626 4.565 1 0 KJAFMO COc1cc2[nH+]c(N3C[C@@H](C)N(C(=O)Cc4ccc(-c5ccccc5)cc4)[C@H](C)C3)nc(N)c2cc1OC ZINC000045335042 562661304 /nfs/dbraw/zinc/66/13/04/562661304.db2.gz CDSONCDPWDZFND-WOJBJXKFSA-N 1 1 511.626 4.565 1 0 KJAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000045335167 562661324 /nfs/dbraw/zinc/66/13/24/562661324.db2.gz PBHBUDYFIZUBED-UHFFFAOYSA-N 1 1 513.598 4.735 1 0 KJAFMO COc1ccc(CNC(=O)/C=C\C(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045354459 562661806 /nfs/dbraw/zinc/66/18/06/562661806.db2.gz DROKJYUWWSMRQM-SFYKUEKMSA-N 1 1 518.057 4.845 1 0 KJAFMO COc1ccc(CNC(=O)/C=C\C(=O)N2CCC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045354463 562661886 /nfs/dbraw/zinc/66/18/86/562661886.db2.gz DROKJYUWWSMRQM-PAWAISHBSA-N 1 1 518.057 4.845 1 0 KJAFMO CC(C)OC(=O)C1=CN(C(=O)c2ccc(CC[NH+]3CCOCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045368412 562662157 /nfs/dbraw/zinc/66/21/57/562662157.db2.gz APKFSUQCCBBTOX-UHFFFAOYSA-N 1 1 515.654 4.769 1 0 KJAFMO CC(C)OC(=O)C1=CN(C(=O)c2ccc(CC[NH+]3CCOCC3)cc2)CC(C)(C)c2c3ccc(F)cc3[nH]c21 ZINC000045373528 562662296 /nfs/dbraw/zinc/66/22/96/562662296.db2.gz YJWHMYDMXXRPCY-UHFFFAOYSA-N 1 1 533.644 4.908 1 0 KJAFMO COc1ccc(S(=O)(=O)N(CCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC2CCCCC2)cc1 ZINC000045384219 562662333 /nfs/dbraw/zinc/66/23/33/562662333.db2.gz LJEKTDPOLMVDTE-UHFFFAOYSA-N 1 1 503.684 4.618 1 0 KJAFMO CC[N@@H+](C)[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045385593 562662362 /nfs/dbraw/zinc/66/23/62/562662362.db2.gz GZEWCAHSAJHYKK-HJPURHCSSA-N 1 1 504.027 4.729 1 0 KJAFMO CC[N@@H+](C)[C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045385597 562662377 /nfs/dbraw/zinc/66/23/77/562662377.db2.gz GZEWCAHSAJHYKK-MWTRTKDXSA-N 1 1 504.027 4.729 1 0 KJAFMO COc1cc2nc(N3CCC([N@@H+](C)CCCCO)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045496821 562662748 /nfs/dbraw/zinc/66/27/48/562662748.db2.gz FULJKBQKEUBPBM-UHFFFAOYSA-N 1 1 500.043 4.717 1 0 KJAFMO O=C(C[NH+]1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc32)cc(C(=O)N2CCOCC2)c1 ZINC000045498703 562662832 /nfs/dbraw/zinc/66/28/32/562662832.db2.gz QSHFINCERLJELW-UHFFFAOYSA-N 1 1 508.022 4.529 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000045498763 562662819 /nfs/dbraw/zinc/66/28/19/562662819.db2.gz BPPYYMZLRANARW-CPJSRVTESA-N 1 1 504.627 4.740 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000045498763 562662818 /nfs/dbraw/zinc/66/28/18/562662818.db2.gz BPPYYMZLRANARW-CPJSRVTESA-N 1 1 504.627 4.740 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000045498765 562662836 /nfs/dbraw/zinc/66/28/36/562662836.db2.gz BPPYYMZLRANARW-NLFFAJNJSA-N 1 1 504.627 4.740 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000045498765 562662835 /nfs/dbraw/zinc/66/28/35/562662835.db2.gz BPPYYMZLRANARW-NLFFAJNJSA-N 1 1 504.627 4.740 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N(C)Cc2ccccc2)cc1OC ZINC000045505767 562662850 /nfs/dbraw/zinc/66/28/50/562662850.db2.gz WYRVNRWVHSLADF-VWLOTQADSA-N 1 1 504.627 4.522 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N(C)Cc2ccccc2)cc1OC ZINC000045505767 562662849 /nfs/dbraw/zinc/66/28/49/562662849.db2.gz WYRVNRWVHSLADF-VWLOTQADSA-N 1 1 504.627 4.522 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N(C)Cc2ccccc2)cc1OC ZINC000045505769 562662825 /nfs/dbraw/zinc/66/28/25/562662825.db2.gz WYRVNRWVHSLADF-RUZDIDTESA-N 1 1 504.627 4.522 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N(C)Cc2ccccc2)cc1OC ZINC000045505769 562662824 /nfs/dbraw/zinc/66/28/24/562662824.db2.gz WYRVNRWVHSLADF-RUZDIDTESA-N 1 1 504.627 4.522 1 0 KJAFMO C[C@@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000045506128 562662814 /nfs/dbraw/zinc/66/28/14/562662814.db2.gz YJQWRAAPDSTDOW-KRWDZBQOSA-N 1 1 507.432 4.701 1 0 KJAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000048307384 562663069 /nfs/dbraw/zinc/66/30/69/562663069.db2.gz BPXIHQWLDDFFJY-UHFFFAOYSA-N 1 1 575.069 4.781 1 0 KJAFMO C[N@@H+](CCCCOc1ccc(OCc2ccccc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049000282 562663233 /nfs/dbraw/zinc/66/32/33/562663233.db2.gz LXGKXRUQWQYWIV-GDLZYMKVSA-N 1 1 522.596 4.814 1 0 KJAFMO C[N@@H+](CCCCOc1ccc(OCc2ccccc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049000284 562663217 /nfs/dbraw/zinc/66/32/17/562663217.db2.gz LXGKXRUQWQYWIV-LJAQVGFWSA-N 1 1 522.596 4.814 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc(F)c3)CC2)C1 ZINC000049033198 562663404 /nfs/dbraw/zinc/66/34/04/562663404.db2.gz IZPMYNCKMYYGDX-SSVAKIOMSA-N 1 1 521.677 4.820 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000049034266 562663469 /nfs/dbraw/zinc/66/34/69/562663469.db2.gz VNECRSRDCNWUSI-SSVAKIOMSA-N 1 1 521.677 4.820 1 0 KJAFMO CN1CC[NH+](CCOc2ccc([C@@H]3Oc4cc(O)ccc4C4=C3c3ccc(O)cc3OCC4)cc2)CC1 ZINC000049035092 562663509 /nfs/dbraw/zinc/66/35/09/562663509.db2.gz MTMBGVPCVUHLQO-PMERELPUSA-N 1 1 500.595 4.551 1 0 KJAFMO CN1CC[NH+](CCOc2cccc([C@H]3Oc4cc(O)ccc4C4=C3c3ccc(O)cc3OCC4)c2)CC1 ZINC000049037408 562663688 /nfs/dbraw/zinc/66/36/88/562663688.db2.gz YOSGIAVXRSUEKW-SSEXGKCCSA-N 1 1 500.595 4.551 1 0 KJAFMO CN1CC[NH+](CCOc2cccc([C@@H]3Oc4cc(O)ccc4C4=C3c3ccc(O)cc3OCC4)c2)CC1 ZINC000049037436 562663680 /nfs/dbraw/zinc/66/36/80/562663680.db2.gz YOSGIAVXRSUEKW-PMERELPUSA-N 1 1 500.595 4.551 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc(Cl)n3)CC2)C1 ZINC000049046406 562663641 /nfs/dbraw/zinc/66/36/41/562663641.db2.gz HXRCUZAAPSHWHF-DDKRZIBASA-N 1 1 539.120 4.729 1 0 KJAFMO O=C(C1CCCC1)N1CC[NH+](CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000049067010 562663911 /nfs/dbraw/zinc/66/39/11/562663911.db2.gz LPJPACLARPRNJT-UHFFFAOYSA-N 1 1 500.622 4.825 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000049089924 562664486 /nfs/dbraw/zinc/66/44/86/562664486.db2.gz MUAHCZAKVCEAPW-PLKPRKFZSA-N 1 1 539.120 4.729 1 0 KJAFMO O=C(c1ccccc1)N1CC[NH+](CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000049109978 562664518 /nfs/dbraw/zinc/66/45/18/562664518.db2.gz XPGPALDGXQWXEU-UHFFFAOYSA-N 1 1 508.601 4.949 1 0 KJAFMO CN1CC[NH+](CCOc2ccc([C@H]3Oc4cc(O)ccc4C4=C3c3ccc(O)cc3OCC4)cc2)CC1 ZINC000049110686 562664543 /nfs/dbraw/zinc/66/45/43/562664543.db2.gz MTMBGVPCVUHLQO-SSEXGKCCSA-N 1 1 500.595 4.551 1 0 KJAFMO C[N@H+]1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000049113447 562664643 /nfs/dbraw/zinc/66/46/43/562664643.db2.gz GJFCQJAUVKHDBO-QEFMBMMRSA-N 1 1 516.439 4.616 1 0 KJAFMO C[N@@H+]1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000049113447 562664642 /nfs/dbraw/zinc/66/46/42/562664642.db2.gz GJFCQJAUVKHDBO-QEFMBMMRSA-N 1 1 516.439 4.616 1 0 KJAFMO CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000049113447 562664641 /nfs/dbraw/zinc/66/46/41/562664641.db2.gz GJFCQJAUVKHDBO-QEFMBMMRSA-N 1 1 516.439 4.616 1 0 KJAFMO Cc1cc(-c2cccc3ncc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)nc32)ccc1C[NH+]1CCOCC1 ZINC000049113578 562664633 /nfs/dbraw/zinc/66/46/33/562664633.db2.gz QTMBJAFKWNRRDA-UHFFFAOYSA-N 1 1 522.649 4.885 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4nccnc43)CC2)C1 ZINC000049599932 562664999 /nfs/dbraw/zinc/66/49/99/562664999.db2.gz QSMGPBMTUXHUNI-GYUKIKGESA-N 1 1 555.723 4.624 1 0 KJAFMO COc1cc2[nH+]c(NCC3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5C)cc4)CC3)nc(N)c2cc1OC ZINC000049605007 562665224 /nfs/dbraw/zinc/66/52/24/562665224.db2.gz QKMZUHUDLRKONM-UHFFFAOYSA-N 1 1 582.705 4.871 1 0 KJAFMO COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4nc5c(cccc5OCc5ccccc5)[nH]4)CC3)c2c1 ZINC000049605569 562666017 /nfs/dbraw/zinc/66/60/17/562666017.db2.gz LZQVRDDSNOSPPV-LJAQVGFWSA-N 1 1 537.664 4.986 1 0 KJAFMO CN1CCC([NH+]2CCN(CCOc3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3Br)CC2)CC1 ZINC000049605571 562665994 /nfs/dbraw/zinc/66/59/94/562665994.db2.gz AWIMDACXPWHYIY-RMKNXTFCSA-N 1 1 561.952 4.845 1 0 KJAFMO C[N@H+]1CC[C@H](Oc2cc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605597 562666116 /nfs/dbraw/zinc/66/61/16/562666116.db2.gz XFUKIAYRJVFVSZ-ROUUACIJSA-N 1 1 574.290 4.685 1 0 KJAFMO C[N@@H+]1CC[C@H](Oc2cc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605597 562666115 /nfs/dbraw/zinc/66/61/15/562666115.db2.gz XFUKIAYRJVFVSZ-ROUUACIJSA-N 1 1 574.290 4.685 1 0 KJAFMO C[N@H+]1CC[C@@H](Oc2cc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605598 562666060 /nfs/dbraw/zinc/66/60/60/562666060.db2.gz XFUKIAYRJVFVSZ-ZWKOTPCHSA-N 1 1 574.290 4.685 1 0 KJAFMO C[N@@H+]1CC[C@@H](Oc2cc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605598 562666059 /nfs/dbraw/zinc/66/60/59/562666059.db2.gz XFUKIAYRJVFVSZ-ZWKOTPCHSA-N 1 1 574.290 4.685 1 0 KJAFMO Nc1c2cc(C(=O)Nc3cc(I)c(O)c(I)c3)ccc2[nH+]c2c1CCCC2 ZINC000049605800 562666386 /nfs/dbraw/zinc/66/63/86/562666386.db2.gz VCRVVXCZBHTXQG-UHFFFAOYSA-N 1 1 585.183 4.863 1 0 KJAFMO Cc1cc(S[C@@H]2CC[N@@H+](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)[C@H](C(=O)NC(C)(C)C)C2)nc(C)n1 ZINC000049605877 562666424 /nfs/dbraw/zinc/66/64/24/562666424.db2.gz FDYJWNQORWMJFP-QNRWOPMTSA-N 1 1 647.886 4.717 1 0 KJAFMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049606039 562666507 /nfs/dbraw/zinc/66/65/07/562666507.db2.gz AFTWAHVWWPISSD-BJTUFNSYSA-N 1 1 539.667 4.959 1 0 KJAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(-c6noc(C)n6)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000049626553 562667250 /nfs/dbraw/zinc/66/72/50/562667250.db2.gz SABNPMBPMCFVIS-UHFFFAOYSA-N 1 1 579.661 4.901 1 0 KJAFMO O=C(Nc1ccc(C(=O)OCC2CCCCC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049626719 562667345 /nfs/dbraw/zinc/66/73/45/562667345.db2.gz SRPLLSJIBXETIY-PPTMTGTBSA-N 1 1 614.743 4.958 1 0 KJAFMO O=C(Nc1ccc(C(=O)OCC2CCCCC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049626728 562667303 /nfs/dbraw/zinc/66/73/03/562667303.db2.gz SRPLLSJIBXETIY-NYDCQLBNSA-N 1 1 614.743 4.958 1 0 KJAFMO COc1cc2[nH+]c(N3CCN(C(=O)c4c(Cl)nsc4-c4ccccc4Cl)CC3)nc(N)c2cc1OC ZINC000049627056 562667518 /nfs/dbraw/zinc/66/75/18/562667518.db2.gz HIKITFCVEBALFB-UHFFFAOYSA-N 1 1 545.452 4.622 1 0 KJAFMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049639248 562667734 /nfs/dbraw/zinc/66/77/34/562667734.db2.gz WCXKJWUOTNMBJM-GXUSPISNSA-N 1 1 568.567 4.992 1 0 KJAFMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049639250 562667687 /nfs/dbraw/zinc/66/76/87/562667687.db2.gz WCXKJWUOTNMBJM-NGANZDCNSA-N 1 1 568.567 4.992 1 0 KJAFMO CN(CCC[NH+]1CCN(c2ncc(C(=O)NCCOc3ccccc3)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC000049678990 562668702 /nfs/dbraw/zinc/66/87/02/562668702.db2.gz BSMNBHPERYKHAU-UHFFFAOYSA-N 1 1 542.511 4.846 1 0 KJAFMO COc1ccc(-n2cc(CCCC(=O)NCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1 ZINC000049695177 562670233 /nfs/dbraw/zinc/67/02/33/562670233.db2.gz POZXHKGYVSZVAB-UHFFFAOYSA-N 1 1 545.515 4.624 1 0 KJAFMO CC[C@H](C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C ZINC000049709953 562671453 /nfs/dbraw/zinc/67/14/53/562671453.db2.gz MIVYGQGLBSAGAW-GEUOHPOXSA-N 1 1 507.719 4.588 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)c1cc(-c2ccccc2)cs1 ZINC000049710488 562671695 /nfs/dbraw/zinc/67/16/95/562671695.db2.gz LSTFVBNUFICPCC-NJVHYIPRSA-N 1 1 738.955 4.951 1 0 KJAFMO COc1ccc(S(=O)(=O)N(CCCN2CCN(C)CC2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)cc1 ZINC000049710613 562671729 /nfs/dbraw/zinc/67/17/29/562671729.db2.gz WDMBGZSBCIKCIA-UHFFFAOYSA-N 1 1 619.857 4.937 1 0 KJAFMO COC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049710876 562671868 /nfs/dbraw/zinc/67/18/68/562671868.db2.gz KWPXNWIZMPODKX-UHFFFAOYSA-N 1 1 595.744 4.643 1 0 KJAFMO COc1ccc(CCNc2nc(NCCC[N@H+]3CCCC[C@H]3C)ncc2C(=O)NCc2ccccc2)cc1OC ZINC000049722983 562672737 /nfs/dbraw/zinc/67/27/37/562672737.db2.gz FSSBVFWLBVKLER-HSZRJFAPSA-N 1 1 546.716 4.755 1 0 KJAFMO COc1ccc(CCNc2nc(NCCC[N@H+]3CCCC[C@@H]3C)ncc2C(=O)NCc2ccccc2)cc1OC ZINC000049722984 562672726 /nfs/dbraw/zinc/67/27/26/562672726.db2.gz FSSBVFWLBVKLER-QHCPKHFHSA-N 1 1 546.716 4.755 1 0 KJAFMO COc1ccc([C@H](CCC[NH3+])N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049723002 562672813 /nfs/dbraw/zinc/67/28/13/562672813.db2.gz DCILHRAUYUGNNL-GJZUVCINSA-N 1 1 542.680 4.663 1 0 KJAFMO COc1ccc([C@@H](CCC[NH3+])N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049723003 562672790 /nfs/dbraw/zinc/67/27/90/562672790.db2.gz DCILHRAUYUGNNL-ATIYNZHBSA-N 1 1 542.680 4.663 1 0 KJAFMO COc1ccc(CNC(=O)c2ccc3c(c2)[NH+]=C(/C=C/c2ccccc2)N(CCN2CCOCC2)C3)cc1 ZINC000049723367 562673328 /nfs/dbraw/zinc/67/33/28/562673328.db2.gz COFYUVMKZQAOAF-NTEUORMPSA-N 1 1 510.638 4.516 1 0 KJAFMO Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCC[N@H+](C)CC1 ZINC000049745681 562674026 /nfs/dbraw/zinc/67/40/26/562674026.db2.gz XTIWITBMTVGYLG-PMERELPUSA-N 1 1 584.790 4.644 1 0 KJAFMO C[C@@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)C[C@H](C)[N@@H+]1C ZINC000049756002 562674782 /nfs/dbraw/zinc/67/47/82/562674782.db2.gz IBWXGSQQEHOLIJ-HDICACEKSA-N 1 1 588.087 4.705 1 0 KJAFMO Cc1ccnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 ZINC000049756150 562674877 /nfs/dbraw/zinc/67/48/77/562674877.db2.gz HFMLZHBDZJPYMB-WMPKNSHKSA-N 1 1 550.694 4.698 1 0 KJAFMO C[NH+]1CCN(Cc2cc3nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049756593 562675128 /nfs/dbraw/zinc/67/51/28/562675128.db2.gz IHBUIHVFHMETRB-PSWAGMNNSA-N 1 1 570.723 4.512 1 0 KJAFMO CN1CC[NH+](Cc2cc3nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049756593 562675127 /nfs/dbraw/zinc/67/51/27/562675127.db2.gz IHBUIHVFHMETRB-PSWAGMNNSA-N 1 1 570.723 4.512 1 0 KJAFMO COc1cc(Nc2nc(NCCCNc3cc[nH+]c4cc(Cl)ccc34)nc(N3CCOCC3)n2)cc(OC)c1 ZINC000049756662 562675175 /nfs/dbraw/zinc/67/51/75/562675175.db2.gz URECETULQIOPBA-UHFFFAOYSA-N 1 1 551.051 4.585 1 0 KJAFMO Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 ZINC000049756799 562675238 /nfs/dbraw/zinc/67/52/38/562675238.db2.gz QHTZKDAJWFACKZ-ZRZAMGCNSA-N 1 1 590.637 4.937 1 0 KJAFMO C[NH+]1CCN(Cc2cc3nc(-c4ccc(NC(=O)Nc5ccncc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049756988 562675430 /nfs/dbraw/zinc/67/54/30/562675430.db2.gz HCDQTNKVRADZCI-PSWAGMNNSA-N 1 1 570.723 4.512 1 0 KJAFMO CN1CC[NH+](Cc2cc3nc(-c4ccc(NC(=O)Nc5ccncc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049756988 562675429 /nfs/dbraw/zinc/67/54/29/562675429.db2.gz HCDQTNKVRADZCI-PSWAGMNNSA-N 1 1 570.723 4.512 1 0 KJAFMO COc1cc(C(=O)Nn2cc[nH+]c2NCc2ccc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)on1 ZINC000049762113 562676341 /nfs/dbraw/zinc/67/63/41/562676341.db2.gz OVLYSGJFZUVROA-UHFFFAOYSA-N 1 1 541.902 4.833 1 0 KJAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4cccc(F)c4)CCN(C(=O)CC(C)(C)C)CC3)C[C@@H]2C1 ZINC000049762271 562676497 /nfs/dbraw/zinc/67/64/97/562676497.db2.gz LLGJMKTVZXNPCI-PLQXJYEYSA-N 1 1 549.735 4.623 1 0 KJAFMO CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCC[NH+]3CCOCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049766388 562677030 /nfs/dbraw/zinc/67/70/30/562677030.db2.gz CCNIWPQOOWKWHQ-UHFFFAOYSA-N 1 1 545.680 4.995 1 0 KJAFMO CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCC[NH+]3CCN(C)CC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049766510 562677079 /nfs/dbraw/zinc/67/70/79/562677079.db2.gz NAYHXMGKHBSSPS-UHFFFAOYSA-N 1 1 544.696 4.520 1 0 KJAFMO O=S(=O)(c1cccc2cccnc21)N(CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)CC1CC1 ZINC000049766688 562677180 /nfs/dbraw/zinc/67/71/80/562677180.db2.gz MOHNVYNDWAHEEY-UHFFFAOYSA-N 1 1 532.632 4.867 1 0 KJAFMO C[N@H+]1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)CC1 ZINC000049766753 562677176 /nfs/dbraw/zinc/67/71/76/562677176.db2.gz CQQCQRQIFMWQMH-LJAQVGFWSA-N 1 1 605.208 4.989 1 0 KJAFMO CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049767149 562677366 /nfs/dbraw/zinc/67/73/66/562677366.db2.gz UFOOUSROGOQPAY-UHFFFAOYSA-N 1 1 544.696 4.520 1 0 KJAFMO CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCC[NH+]3CCOCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049767456 562677570 /nfs/dbraw/zinc/67/75/70/562677570.db2.gz ZTHIQZSSRDLVDZ-UHFFFAOYSA-N 1 1 545.680 4.995 1 0 KJAFMO CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCC[NH+]3CCN(C)CC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049767834 562677766 /nfs/dbraw/zinc/67/77/66/562677766.db2.gz GTZQUGPSEGPLGG-UHFFFAOYSA-N 1 1 558.723 4.910 1 0 KJAFMO CC[N@@H+](C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1nccs1 ZINC000049767973 562677750 /nfs/dbraw/zinc/67/77/50/562677750.db2.gz HMEXQGCRIYZAFX-DNQXCXABSA-N 1 1 625.773 4.708 1 0 KJAFMO CC[N@H+](C[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccc(O)cc1)NC(=O)OCc1cncs1 ZINC000049767975 562677732 /nfs/dbraw/zinc/67/77/32/562677732.db2.gz HMEXQGCRIYZAFX-BJKOFHAPSA-N 1 1 625.773 4.708 1 0 KJAFMO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775757 562679240 /nfs/dbraw/zinc/67/92/40/562679240.db2.gz YXXLMZIMNOUVHT-PMERELPUSA-N 1 1 645.870 4.830 1 0 KJAFMO CC(C)c1nc(CN2CCN(c3c4[nH]c(-c5ccc(C[NH+]6CCOCC6)cc5)nc4ncc3Br)CC2)co1 ZINC000049777128 562679710 /nfs/dbraw/zinc/67/97/10/562679710.db2.gz ZZBXTDWYODKLOO-UHFFFAOYSA-N 1 1 580.531 4.653 1 0 KJAFMO Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12 ZINC000049777161 562679721 /nfs/dbraw/zinc/67/97/21/562679721.db2.gz LREJPDVGVCQBEA-UHFFFAOYSA-N 1 1 566.081 4.749 1 0 KJAFMO COc1ccc(C[C@@H](C)C[N@@H+]2C[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000049777492 562680095 /nfs/dbraw/zinc/68/00/95/562680095.db2.gz RDSAUPRYZCQORM-KJMYBWGMSA-N 1 1 526.672 4.634 1 0 KJAFMO Cc1nc2ccc(C[C@H](C)C[N@H+]3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)cn2n1 ZINC000049777598 562680285 /nfs/dbraw/zinc/68/02/85/562680285.db2.gz YIFHFKIAGWFMFR-FOEQRGQYSA-N 1 1 550.698 4.582 1 0 KJAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@H](O)c4csc5ccccc54)cc1c32 ZINC000049777849 562680595 /nfs/dbraw/zinc/68/05/95/562680595.db2.gz UKNHTZNMYJBABO-MHZLTWQESA-N 1 1 601.128 4.941 1 0 KJAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@H](O)c4csc5ccccc54)cc1c32 ZINC000049777849 562680594 /nfs/dbraw/zinc/68/05/94/562680594.db2.gz UKNHTZNMYJBABO-MHZLTWQESA-N 1 1 601.128 4.941 1 0 KJAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@@H](O)c4csc5ccccc54)cc1c32 ZINC000049777850 562680598 /nfs/dbraw/zinc/68/05/98/562680598.db2.gz UKNHTZNMYJBABO-HHHXNRCGSA-N 1 1 601.128 4.941 1 0 KJAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@@H](O)c4csc5ccccc54)cc1c32 ZINC000049777850 562680597 /nfs/dbraw/zinc/68/05/97/562680597.db2.gz UKNHTZNMYJBABO-HHHXNRCGSA-N 1 1 601.128 4.941 1 0 KJAFMO CC(C)N1CCN(C(=O)c2ccc(C[N@@H+](C)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)CC1 ZINC000049780270 562681514 /nfs/dbraw/zinc/68/15/14/562681514.db2.gz NBLDGXOQBJZAJG-UHFFFAOYSA-N 1 1 552.616 4.865 1 0 KJAFMO CCC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049780342 562681644 /nfs/dbraw/zinc/68/16/44/562681644.db2.gz XWBOYONMXXQHRX-UHFFFAOYSA-N 1 1 593.772 4.813 1 0 KJAFMO C=c1cccc/c1=C(\C=C\C(=O)OCCC[N@H+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1ccccc1C ZINC000049780347 562681637 /nfs/dbraw/zinc/68/16/37/562681637.db2.gz SQJKFEJATHQHJA-IBKIWLNNSA-N 1 1 613.751 4.698 1 0 KJAFMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1cc(N2CCC(O)(c3ccccc3)CC2)nc2ccc(OC)cc21 ZINC000049780364 562681682 /nfs/dbraw/zinc/68/16/82/562681682.db2.gz SSDMHQQERIVJDU-UFZJNTIGSA-N 1 1 501.671 4.885 1 0 KJAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5cccc(F)c5)nc(-c5cccc(F)c5)c4)CC3)CC2)CC1 ZINC000049780410 562681706 /nfs/dbraw/zinc/68/17/06/562681706.db2.gz YJXBRCUJWFMAEL-UHFFFAOYSA-N 1 1 615.725 4.701 1 0 KJAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)CCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000049780558 562681945 /nfs/dbraw/zinc/68/19/45/562681945.db2.gz WITZFUSWCPNNGU-TXUXZZDXSA-N 1 1 696.797 4.806 1 0 KJAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000049780559 562681919 /nfs/dbraw/zinc/68/19/19/562681919.db2.gz WITZFUSWCPNNGU-XCUSZWOLSA-N 1 1 696.797 4.806 1 0 KJAFMO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049780855 562682339 /nfs/dbraw/zinc/68/23/39/562682339.db2.gz GGIXBIVLYUNLOM-JIWYJQEDSA-N 1 1 593.712 4.778 1 0 KJAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000049781080 562682632 /nfs/dbraw/zinc/68/26/32/562682632.db2.gz ADJIIADSNIOSDG-XMMPIXPASA-N 1 1 598.588 4.587 1 0 KJAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049781218 562682797 /nfs/dbraw/zinc/68/27/97/562682797.db2.gz VFEUENDJIZXPKO-KIKDMBQDSA-N 1 1 597.675 4.527 1 0 KJAFMO CN(C)C(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049781228 562682809 /nfs/dbraw/zinc/68/28/09/562682809.db2.gz QRWFRDCNTKWFDB-UHFFFAOYSA-N 1 1 608.787 4.558 1 0 KJAFMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc5c(ccn5CC(F)(F)F)c(N5CCOCC5)n4)cc3)cc2)CC1 ZINC000049781258 562682842 /nfs/dbraw/zinc/68/28/42/562682842.db2.gz UMANUGUGHDROEQ-UHFFFAOYSA-N 1 1 622.652 4.529 1 0 KJAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000049781302 562682911 /nfs/dbraw/zinc/68/29/11/562682911.db2.gz OLSKKLVOZAYVRU-MUUNZHRXSA-N 1 1 580.651 4.721 1 0 KJAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(SCc4ccccc4)c3)nn2CCC[NH+]2CCOCC2)C1 ZINC000049781317 562682946 /nfs/dbraw/zinc/68/29/46/562682946.db2.gz ZBWUTJLXFUIENK-UHFFFAOYSA-N 1 1 561.173 4.536 1 0 KJAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(F)cc5)c4)CC3)CC2)CC1 ZINC000049781370 562682972 /nfs/dbraw/zinc/68/29/72/562682972.db2.gz CPNLFIHZBCHUQT-UHFFFAOYSA-N 1 1 597.735 4.562 1 0 KJAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCOc4ccccc4)c3)nn2CCC[NH+]2CCOCC2)C1 ZINC000049784186 562683488 /nfs/dbraw/zinc/68/34/88/562683488.db2.gz CRFUVFCMXAJMTL-UHFFFAOYSA-N 1 1 624.751 4.780 1 0 KJAFMO Cc1cc(N2CC[NH+](CCCF)CC2)cc2[nH]c(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)nc21 ZINC000049784492 562683609 /nfs/dbraw/zinc/68/36/09/562683609.db2.gz VUVAXIBXIAPBBM-XMMPIXPASA-N 1 1 539.055 4.507 1 0 KJAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 ZINC000049785013 562683870 /nfs/dbraw/zinc/68/38/70/562683870.db2.gz UOOLYEVPOIRJIK-NXCFDTQHSA-N 1 1 539.671 4.560 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049785902 562684152 /nfs/dbraw/zinc/68/41/52/562684152.db2.gz AFTWAHVWWPISSD-PLKPRKFZSA-N 1 1 539.667 4.959 1 0 KJAFMO CC[N@@H+](C[C@H](CC(C)C)NC(=O)OCc1cncs1)C[C@H](CC(C)C)NC(=O)OCc1nccs1 ZINC000049792922 562684539 /nfs/dbraw/zinc/68/45/39/562684539.db2.gz LNFPYTXWNUBAEF-PMACEKPBSA-N 1 1 525.741 4.904 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4nsnc43)CC2)C1 ZINC000049792929 562684534 /nfs/dbraw/zinc/68/45/34/562684534.db2.gz JFDYBDBDEYOYGM-DDKRZIBASA-N 1 1 561.752 4.686 1 0 KJAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(SCCc4ccccc4)c3)nn2CCC[NH+]2CCOCC2)C1 ZINC000049793793 562685158 /nfs/dbraw/zinc/68/51/58/562685158.db2.gz RBSBMMSHFBFKBM-UHFFFAOYSA-N 1 1 575.200 4.578 1 0 KJAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000049802531 562685779 /nfs/dbraw/zinc/68/57/79/562685779.db2.gz FRLCCKOEQNMAQJ-JOCHJYFZSA-N 1 1 599.481 4.875 1 0 KJAFMO CCCc1ccc(C(=O)N2CCC(CC[N@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000049802652 562685894 /nfs/dbraw/zinc/68/58/94/562685894.db2.gz DTMHFZMZLHWKDZ-HHHXNRCGSA-N 1 1 572.672 4.521 1 0 KJAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+]5CCN(C)CC5)c(OC)cc43)ccc2s1 ZINC000049802942 562685986 /nfs/dbraw/zinc/68/59/86/562685986.db2.gz CNDBZRMHYVRYNY-UHFFFAOYSA-N 1 1 535.670 4.790 1 0 KJAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+]5CCOCC5)cc43)ccc2s1 ZINC000049803037 562685991 /nfs/dbraw/zinc/68/59/91/562685991.db2.gz MVUGCUYTCICLBZ-UHFFFAOYSA-N 1 1 522.627 4.875 1 0 KJAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+]5CCN(C)CC5)cc43)ccc2s1 ZINC000049803038 562685994 /nfs/dbraw/zinc/68/59/94/562685994.db2.gz FKNSQQNBPLCHHM-UHFFFAOYSA-N 1 1 535.670 4.790 1 0 KJAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+]5CCOCC5)c(OC)cc43)ccc2s1 ZINC000049803112 562686055 /nfs/dbraw/zinc/68/60/55/562686055.db2.gz JJOJDJSGNMQABQ-UHFFFAOYSA-N 1 1 522.627 4.875 1 0 KJAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000049803145 562686063 /nfs/dbraw/zinc/68/60/63/562686063.db2.gz IMJPQHNLQIVGPM-GSLIJJQTSA-N 1 1 557.661 4.700 1 0 KJAFMO CN(C)c1[nH+]c2ccc1CCCn1cc(c3ccccc31)C1=C(c3cn(c4ccccc34)CC2)C(=O)NC1=O ZINC000049807649 562686454 /nfs/dbraw/zinc/68/64/54/562686454.db2.gz ZVYLAQPDMUKXOT-UHFFFAOYSA-N 1 1 515.617 4.813 1 0 KJAFMO Nc1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ccc6nc5-c5ccccc5)cc4)CC3)n2)cn1 ZINC000049832770 562687257 /nfs/dbraw/zinc/68/72/57/562687257.db2.gz OWUIQMLTTIDFOA-UHFFFAOYSA-N 1 1 667.822 4.615 1 0 KJAFMO C[NH2+][C@@H](Cn1c(=O)c(-c2cccc(OCC[N@@H+](C)CC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049841277 562688186 /nfs/dbraw/zinc/68/81/86/562688186.db2.gz LINFTOFILYRPLU-SANMLTNESA-N 1 1 660.640 4.687 1 0 KJAFMO CCC(=O)CCCCC[C@@H]1NC(=S)[C@H]2CCCC[N@H+]2CC(=O)[C@H]([C@@H](C)CC)NC(=S)[C@H](Cc2cn(OC)c3ccccc23)NC1=O ZINC000049853521 562688937 /nfs/dbraw/zinc/68/89/37/562688937.db2.gz YLJIMTMXMYWMMG-YZQQIFRVSA-N 1 1 669.958 4.711 1 0 KJAFMO CCC(=O)CCCCC[C@@H]1NC(=S)[C@H]2CCCC[N@@H+]2CC(=O)[C@H]([C@@H](C)CC)NC(=S)[C@H](Cc2cn(OC)c3ccccc23)NC1=O ZINC000049853521 562688936 /nfs/dbraw/zinc/68/89/36/562688936.db2.gz YLJIMTMXMYWMMG-YZQQIFRVSA-N 1 1 669.958 4.711 1 0 KJAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872170 562689813 /nfs/dbraw/zinc/68/98/13/562689813.db2.gz VLEWDFGPNUUAHC-LJQANCHMSA-N 1 1 561.535 4.851 1 0 KJAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872171 562689804 /nfs/dbraw/zinc/68/98/04/562689804.db2.gz VLEWDFGPNUUAHC-IBGZPJMESA-N 1 1 561.535 4.851 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872205 562689818 /nfs/dbraw/zinc/68/98/18/562689818.db2.gz HKVMVRNGKHYRKU-HXUWFJFHSA-N 1 1 559.494 4.881 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872206 562689821 /nfs/dbraw/zinc/68/98/21/562689821.db2.gz HKVMVRNGKHYRKU-FQEVSTJZSA-N 1 1 559.494 4.881 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872300 562689897 /nfs/dbraw/zinc/68/98/97/562689897.db2.gz ATZBHGNHJLGPGS-OAQYLSRUSA-N 1 1 558.510 4.832 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872301 562689922 /nfs/dbraw/zinc/68/99/22/562689922.db2.gz ATZBHGNHJLGPGS-NRFANRHFSA-N 1 1 558.510 4.832 1 0 KJAFMO CN1CCN(C(=S)SC[C@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 ZINC000049872509 562690079 /nfs/dbraw/zinc/69/00/79/562690079.db2.gz ZCDDSAFCVJQEDO-VWNXMTODSA-N 1 1 541.705 4.774 1 0 KJAFMO CN1CCN(C(=S)SC[C@@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 ZINC000049872510 562690084 /nfs/dbraw/zinc/69/00/84/562690084.db2.gz ZCDDSAFCVJQEDO-UPVQGACJSA-N 1 1 541.705 4.774 1 0 KJAFMO Oc1ccc2c3c1O[C@H]1c4c(c5ccc(Br)c6c5n4CCC6)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000049877907 562690340 /nfs/dbraw/zinc/69/03/40/562690340.db2.gz AYAWPTOPXYJOHV-KZNIJNHCSA-N 1 1 533.466 4.755 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2cccc(C(F)(F)F)c2)CC1 ZINC000049878220 562690486 /nfs/dbraw/zinc/69/04/86/562690486.db2.gz JKXZNDMZTYMOBX-JOCHJYFZSA-N 1 1 574.669 4.952 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2cccc(C(F)(F)F)c2)CC1 ZINC000049878223 562690467 /nfs/dbraw/zinc/69/04/67/562690467.db2.gz JKXZNDMZTYMOBX-QFIPXVFZSA-N 1 1 574.669 4.952 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2cccc(C(F)(F)F)c2)CC1 ZINC000049878293 562690522 /nfs/dbraw/zinc/69/05/22/562690522.db2.gz HWJCHCZOQTUCLL-JOCHJYFZSA-N 1 1 558.601 4.593 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2cccc(C(F)(F)F)c2)CC1 ZINC000049878295 562690542 /nfs/dbraw/zinc/69/05/42/562690542.db2.gz HWJCHCZOQTUCLL-QFIPXVFZSA-N 1 1 558.601 4.593 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049878306 562690530 /nfs/dbraw/zinc/69/05/30/562690530.db2.gz ABVHNZOBDMKCFO-HSZRJFAPSA-N 1 1 557.617 4.544 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049878307 562690515 /nfs/dbraw/zinc/69/05/15/562690515.db2.gz ABVHNZOBDMKCFO-QHCPKHFHSA-N 1 1 557.617 4.544 1 0 KJAFMO CC(=O)Oc1ccccc1C[N@@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000049878758 562690792 /nfs/dbraw/zinc/69/07/92/562690792.db2.gz ICGMXFMKPZAOOG-QHCPKHFHSA-N 1 1 581.518 4.775 1 0 KJAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2cccc(F)c2)cc1 ZINC000049881406 562690786 /nfs/dbraw/zinc/69/07/86/562690786.db2.gz WWGZWGCAWTUHCL-QFIPXVFZSA-N 1 1 541.472 4.989 1 0 KJAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccc(F)cc2)cc1 ZINC000049881437 562690831 /nfs/dbraw/zinc/69/08/31/562690831.db2.gz PWOOSNJNGOSCCW-QFIPXVFZSA-N 1 1 541.472 4.989 1 0 KJAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2cccc(O)c2)cc1 ZINC000049881497 562690839 /nfs/dbraw/zinc/69/08/39/562690839.db2.gz GCGKFTIWTCUWFE-QFIPXVFZSA-N 1 1 539.481 4.555 1 0 KJAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)CCc2ccccc2O)cc1 ZINC000049881581 562690956 /nfs/dbraw/zinc/69/09/56/562690956.db2.gz MNUAQQOOGCDTIQ-QFIPXVFZSA-N 1 1 553.508 4.598 1 0 KJAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2F)cc1 ZINC000049881588 562690975 /nfs/dbraw/zinc/69/09/75/562690975.db2.gz REAHNDOSRQJMDW-NRFANRHFSA-N 1 1 541.472 4.989 1 0 KJAFMO CS(=O)(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2cccc(O)c2)cc1 ZINC000049881627 562691011 /nfs/dbraw/zinc/69/10/11/562691011.db2.gz GCGKFTIWTCUWFE-JOCHJYFZSA-N 1 1 539.481 4.555 1 0 KJAFMO COc1cccc(C[N@@H+](CCc2ccc(Cl)c(Cl)c2)C[C@H](O)COc2ccc(NS(C)(=O)=O)cc2)c1OC ZINC000049881628 562691017 /nfs/dbraw/zinc/69/10/17/562691017.db2.gz ASWHUVJSQCWYNI-QFIPXVFZSA-N 1 1 583.534 4.867 1 0 KJAFMO COc1ccc2c(c1)[C@H](NC(=O)C[N@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1Cc1ccc(OC)c(OC)c1)CC2 ZINC000049881664 562691005 /nfs/dbraw/zinc/69/10/05/562691005.db2.gz JWMZPZFSAXVGMK-SXOMAYOGSA-N 1 1 546.664 4.675 1 0 KJAFMO COc1ccc2c(c1)[C@H](NC(=O)C[N@@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1Cc1ccc(OC)c(OC)c1)CC2 ZINC000049881664 562691004 /nfs/dbraw/zinc/69/10/04/562691004.db2.gz JWMZPZFSAXVGMK-SXOMAYOGSA-N 1 1 546.664 4.675 1 0 KJAFMO COc1ccc2c(c1)[C@@H](NC(=O)C[N@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1Cc1ccc(OC)c(OC)c1)CC2 ZINC000049881665 562690989 /nfs/dbraw/zinc/69/09/89/562690989.db2.gz JWMZPZFSAXVGMK-SVBPBHIXSA-N 1 1 546.664 4.675 1 0 KJAFMO COc1ccc2c(c1)[C@@H](NC(=O)C[N@@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1Cc1ccc(OC)c(OC)c1)CC2 ZINC000049881665 562690988 /nfs/dbraw/zinc/69/09/88/562690988.db2.gz JWMZPZFSAXVGMK-SVBPBHIXSA-N 1 1 546.664 4.675 1 0 KJAFMO COc1ccccc1C[N@@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000049881683 562691049 /nfs/dbraw/zinc/69/10/49/562691049.db2.gz JNCGODQBUQDLHH-QFIPXVFZSA-N 1 1 553.508 4.858 1 0 KJAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2cccc3c2OCO3)cc1 ZINC000049881688 562691040 /nfs/dbraw/zinc/69/10/40/562691040.db2.gz OPOQTEQJKGQYHV-NRFANRHFSA-N 1 1 567.491 4.578 1 0 KJAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(NCCc3ccc(Cl)cc3)c2cc1OC ZINC000049881706 562691052 /nfs/dbraw/zinc/69/10/52/562691052.db2.gz PTAGCXBAEBBEDM-NRFANRHFSA-N 1 1 540.108 4.628 1 0 KJAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(NCCc3ccc(Cl)cc3)c2cc1OC ZINC000049881707 562691036 /nfs/dbraw/zinc/69/10/36/562691036.db2.gz PTAGCXBAEBBEDM-OAQYLSRUSA-N 1 1 540.108 4.628 1 0 KJAFMO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC([N@@H+]3CC=CCC3)CC2)cc2c[nH]nc21 ZINC000049888799 562691489 /nfs/dbraw/zinc/69/14/89/562691489.db2.gz OFQWTOOSUIGQBP-JGCGQSQUSA-N 1 1 622.770 4.893 1 0 KJAFMO CN(C(=O)/C=C/c1ccccc1C(F)(F)F)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000049888910 562691605 /nfs/dbraw/zinc/69/16/05/562691605.db2.gz REOIFDOFAWNTPH-JXLZLBNTSA-N 1 1 554.609 4.516 1 0 KJAFMO O=C([C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049889083 562691770 /nfs/dbraw/zinc/69/17/70/562691770.db2.gz QWHSQMJRLKQTCQ-MHZLTWQESA-N 1 1 641.778 4.852 1 0 KJAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(N(C)CCc3ccc(Cl)cc3)c2cc1OC ZINC000049889094 562691775 /nfs/dbraw/zinc/69/17/75/562691775.db2.gz GQWOASRGSHATHM-QFIPXVFZSA-N 1 1 554.135 4.652 1 0 KJAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3ccnc(C)c3OC)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000049898878 562692972 /nfs/dbraw/zinc/69/29/72/562692972.db2.gz VQYLCVNQBKRMMH-KAODMTDESA-N 1 1 654.808 4.930 1 0 KJAFMO COc1cc2c(cc1OCCCC[NH+]1CCN(CCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000049899591 562693241 /nfs/dbraw/zinc/69/32/41/562693241.db2.gz IHHVRBRJAXECDG-PUHABZHSSA-N 1 1 722.834 4.877 1 0 KJAFMO COc1cc2[nH+]c(N3CCN(C(=O)c4ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc4)CC3)nc(N)c2cc1OC ZINC000049917616 562693693 /nfs/dbraw/zinc/69/36/93/562693693.db2.gz HRZAIILVXBYCLI-UHFFFAOYSA-N 1 1 608.696 4.868 1 0 KJAFMO CN1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)S(=O)(=O)c2ccccc2)CC1 ZINC000049917848 562693980 /nfs/dbraw/zinc/69/39/80/562693980.db2.gz VQKBURCXJDTFSJ-UHFFFAOYSA-N 1 1 589.831 4.928 1 0 KJAFMO COc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1C[N@@H+](C)CCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000049918032 562694299 /nfs/dbraw/zinc/69/42/99/562694299.db2.gz WKWXTDKZZRBYMS-UHFFFAOYSA-N 1 1 576.613 4.812 1 0 KJAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000049918266 562694680 /nfs/dbraw/zinc/69/46/80/562694680.db2.gz OMLUGSYGNDVARF-DEOSSOPVSA-N 1 1 646.652 4.580 1 0 KJAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000049918267 562694656 /nfs/dbraw/zinc/69/46/56/562694656.db2.gz OMLUGSYGNDVARF-XMMPIXPASA-N 1 1 646.652 4.580 1 0 KJAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccccn3)c2)CC1 ZINC000049918289 562694661 /nfs/dbraw/zinc/69/46/61/562694661.db2.gz NASDVRRIDQOZPA-UHFFFAOYSA-N 1 1 653.647 4.997 1 0 KJAFMO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)c(F)c(F)c2)CC1 ZINC000049938378 562695204 /nfs/dbraw/zinc/69/52/04/562695204.db2.gz KAKJJTGEJYQYHN-MUUNZHRXSA-N 1 1 650.785 4.989 1 0 KJAFMO C[NH+]1CCN(C(=O)c2cn(Cc3cncn3Cc3ccc4c(c3)OCO4)cc2-c2cccc3ccccc32)CC1 ZINC000053084393 562696170 /nfs/dbraw/zinc/69/61/70/562696170.db2.gz HWLBLFBLGGVDBT-UHFFFAOYSA-N 1 1 533.632 4.718 1 0 KJAFMO O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000053092419 562696194 /nfs/dbraw/zinc/69/61/94/562696194.db2.gz XDJJQUQBFLGQCK-DQEYMECFSA-N 1 1 513.729 4.556 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000053178249 562696421 /nfs/dbraw/zinc/69/64/21/562696421.db2.gz WJOKWGFUFJHPPJ-VWLOTQADSA-N 1 1 532.685 4.697 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000053178251 562696399 /nfs/dbraw/zinc/69/63/99/562696399.db2.gz WJOKWGFUFJHPPJ-RUZDIDTESA-N 1 1 532.685 4.697 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000053195734 562696467 /nfs/dbraw/zinc/69/64/67/562696467.db2.gz DMLPBMIUNFLKEQ-SANMLTNESA-N 1 1 531.701 4.649 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000053195736 562696457 /nfs/dbraw/zinc/69/64/57/562696457.db2.gz DMLPBMIUNFLKEQ-AREMUKBSSA-N 1 1 531.701 4.649 1 0 KJAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(N(CC3CC3)c3ncccn3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053204570 562696449 /nfs/dbraw/zinc/69/64/49/562696449.db2.gz IJCIMXNTVMTNCZ-RFYMFKDESA-N 1 1 535.708 4.656 1 0 KJAFMO Cc1nc(Nc2nccn2-c2cccc(C(=O)NCCC[NH+]3CCN(C)CC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053230352 562696674 /nfs/dbraw/zinc/69/66/74/562696674.db2.gz AWGZABSXQWMOFO-UHFFFAOYSA-N 1 1 609.657 4.724 1 0 KJAFMO CCCN(c1ncccn1)C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000053255776 562696963 /nfs/dbraw/zinc/69/69/63/562696963.db2.gz ATYIPORMNOLRNY-HNPKZYAISA-N 1 1 523.697 4.656 1 0 KJAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1 ZINC000053295692 562697351 /nfs/dbraw/zinc/69/73/51/562697351.db2.gz CGMYNKWLJMEIMQ-UHFFFAOYSA-N 1 1 618.782 4.904 1 0 KJAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(ccn6C)c5)c4)CC3)CC2)CC1 ZINC000053296600 562697372 /nfs/dbraw/zinc/69/73/72/562697372.db2.gz INVVHYDGQXHQCQ-UHFFFAOYSA-N 1 1 632.809 4.915 1 0 KJAFMO Cc1nc(Nc2nccn2-c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053296955 562697425 /nfs/dbraw/zinc/69/74/25/562697425.db2.gz KLSNYJMDCLUDHH-UHFFFAOYSA-N 1 1 596.614 4.809 1 0 KJAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6cc[nH]c6c5)c4)CC3)CC2)CC1 ZINC000053297378 562697412 /nfs/dbraw/zinc/69/74/12/562697412.db2.gz SRYLYFXTYCYSNP-UHFFFAOYSA-N 1 1 618.782 4.904 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000055772175 562697788 /nfs/dbraw/zinc/69/77/88/562697788.db2.gz MUFAZSNGIBTGPE-JOCHJYFZSA-N 1 1 541.117 4.586 1 0 KJAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000055772177 562697776 /nfs/dbraw/zinc/69/77/76/562697776.db2.gz MUFAZSNGIBTGPE-QFIPXVFZSA-N 1 1 541.117 4.586 1 0 KJAFMO C[N@H+]1[C@@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc(N)c(I)c1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000056727908 562697824 /nfs/dbraw/zinc/69/78/24/562697824.db2.gz QFSPRCFKRIHDRH-UBBRYJJRSA-N 1 1 524.830 4.879 1 0 KJAFMO COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000058482388 562698028 /nfs/dbraw/zinc/69/80/28/562698028.db2.gz PGZDUZAOPBWIDF-HHEUVIPPSA-N 1 1 503.683 4.507 1 0 KJAFMO CC(=O)N(C[C@@H](N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)C(C)C ZINC000058487709 562698154 /nfs/dbraw/zinc/69/81/54/562698154.db2.gz QRNOQQMCKHDTEF-ZWEKWIFMSA-N 1 1 534.736 4.595 1 0 KJAFMO COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000058500226 562698257 /nfs/dbraw/zinc/69/82/57/562698257.db2.gz GXGVDBYJCPPDOQ-NWNXGEEVSA-N 1 1 517.710 4.897 1 0 KJAFMO O=C(N[C@@H](CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)F)cn3)C[C@H]2C1)c1cccc(F)c1)C1CCCC1 ZINC000058506544 562698334 /nfs/dbraw/zinc/69/83/34/562698334.db2.gz OGQWZTHJZRMFTA-ZDXQCDESSA-N 1 1 514.592 4.600 1 0 KJAFMO CC(C)[C@@H]1NC(=O)CCCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058507496 562698385 /nfs/dbraw/zinc/69/83/85/562698385.db2.gz WEDYIPBWZKOBFA-ABYKLFLISA-N 1 1 640.910 4.744 1 0 KJAFMO OC[C@@]1(CCCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@@H](O5)[C@@H]1O ZINC000058507504 562698400 /nfs/dbraw/zinc/69/84/00/562698400.db2.gz FWWLQSGXUXHCIC-NWNXGEEVSA-N 1 1 517.710 4.984 1 0 KJAFMO CCN(CC[C@@H]1CCC[N@H+]1C)C(=O)OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000058509177 562698408 /nfs/dbraw/zinc/69/84/08/562698408.db2.gz AHSDNIAHOYAMKA-XZOQPEGZSA-N 1 1 520.095 4.793 1 0 KJAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000058512710 562698458 /nfs/dbraw/zinc/69/84/58/562698458.db2.gz ZPOGAAHIGIWSTJ-WJSKADRVSA-N 1 1 559.776 4.821 1 0 KJAFMO CC(=O)N(C[C@H](CC(C)C)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000058519681 562698481 /nfs/dbraw/zinc/69/84/81/562698481.db2.gz NRXOSRAXRKFLQU-DOEKTCAHSA-N 1 1 534.736 4.595 1 0 KJAFMO CC(=O)N(C[C@H](CC(C)C)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000058519681 562698480 /nfs/dbraw/zinc/69/84/80/562698480.db2.gz NRXOSRAXRKFLQU-DOEKTCAHSA-N 1 1 534.736 4.595 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000058547121 562699053 /nfs/dbraw/zinc/69/90/53/562699053.db2.gz BPPYYMZLRANARW-NBGIEHNGSA-N 1 1 504.627 4.740 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000058547121 562699052 /nfs/dbraw/zinc/69/90/52/562699052.db2.gz BPPYYMZLRANARW-NBGIEHNGSA-N 1 1 504.627 4.740 1 0 KJAFMO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 ZINC000058575967 562699705 /nfs/dbraw/zinc/69/97/05/562699705.db2.gz SYGWEQRPLKDVKQ-LXQNXJGFSA-N 1 1 539.724 4.931 1 0 KJAFMO O=C(Nc1ccccc1)c1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC[N@H+](C3CCC3)CC2)cc1 ZINC000058576214 562699656 /nfs/dbraw/zinc/69/96/56/562699656.db2.gz KHDJLVCKAVKZRK-GDLZYMKVSA-N 1 1 521.669 4.623 1 0 KJAFMO Cn1c(CCC(=O)CCc2ccccc2)cc2c1[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000058591348 562700464 /nfs/dbraw/zinc/70/04/64/562700464.db2.gz OGVWUHCMHGUMDN-XZLGBSMGSA-N 1 1 538.688 4.564 1 0 KJAFMO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[N@H+]3CC[C@@H](C(F)(F)F)C3)cn2cc1-c1cccc(Cl)c1 ZINC000058592658 562700641 /nfs/dbraw/zinc/70/06/41/562700641.db2.gz PXNZIFGWTMVXEB-LJQANCHMSA-N 1 1 538.998 4.599 1 0 KJAFMO CCC[N@H+]1CC[C@@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000058604014 562700960 /nfs/dbraw/zinc/70/09/60/562700960.db2.gz JGMQOJSHZALBEB-SXOMAYOGSA-N 1 1 634.769 4.544 1 0 KJAFMO CCC[N@@H+]1CC[C@@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000058604014 562700959 /nfs/dbraw/zinc/70/09/59/562700959.db2.gz JGMQOJSHZALBEB-SXOMAYOGSA-N 1 1 634.769 4.544 1 0 KJAFMO COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c[nH]cn1)[C@H]2c1ccccc1 ZINC000058608964 562701017 /nfs/dbraw/zinc/70/10/17/562701017.db2.gz MPAHEXNEQNYRLC-YZXAJQSBSA-N 1 1 539.562 4.693 1 0 KJAFMO COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c[nH]cn1)[C@H]2c1ccccc1 ZINC000058608964 562701016 /nfs/dbraw/zinc/70/10/16/562701016.db2.gz MPAHEXNEQNYRLC-YZXAJQSBSA-N 1 1 539.562 4.693 1 0 KJAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(N(C)CCc3ccc(Cl)cc3)c2cc1OC ZINC000058638757 562701250 /nfs/dbraw/zinc/70/12/50/562701250.db2.gz GQWOASRGSHATHM-JOCHJYFZSA-N 1 1 554.135 4.652 1 0 KJAFMO COc1cccc(-c2cc(C(=O)N3CC[NH+](C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc4[nH]ccc4c3)n2)c1 ZINC000058660977 562701425 /nfs/dbraw/zinc/70/14/25/562701425.db2.gz PMIFWRPQQYUEJQ-UHFFFAOYSA-N 1 1 648.808 4.913 1 0 KJAFMO C[N@H+]1CCCN(CC(=O)N=[S@](C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000059285772 562701962 /nfs/dbraw/zinc/70/19/62/562701962.db2.gz PQVNCEXMHISSOS-VQJSHJPSSA-N 1 1 617.559 4.514 1 0 KJAFMO C[N@@H+]1CCCN(CC(=O)N=[S@](C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000059285772 562701961 /nfs/dbraw/zinc/70/19/61/562701961.db2.gz PQVNCEXMHISSOS-VQJSHJPSSA-N 1 1 617.559 4.514 1 0 KJAFMO C[NH+](C)CCN=[S@@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059297371 562701997 /nfs/dbraw/zinc/70/19/97/562701997.db2.gz DTCGZUWLPYRQCM-DHUJRADRSA-N 1 1 534.469 4.911 1 0 KJAFMO CC(=O)N(C[C@H](N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)C(C)C ZINC000062213094 562704387 /nfs/dbraw/zinc/70/43/87/562704387.db2.gz QRNOQQMCKHDTEF-WEWMWRJBSA-N 1 1 534.736 4.595 1 0 KJAFMO CC(=O)N(C[C@@H](CC(C)C)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000062213096 562704405 /nfs/dbraw/zinc/70/44/05/562704405.db2.gz NRXOSRAXRKFLQU-FXVJXKIMSA-N 1 1 534.736 4.595 1 0 KJAFMO CC(=O)N(C[C@@H](CC(C)C)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000062213096 562704404 /nfs/dbraw/zinc/70/44/04/562704404.db2.gz 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RCURKOOBWVLCDB-UHFFFAOYSA-N 1 1 571.641 4.519 1 0 KJAFMO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccc(Br)cc3)C(C)C)cc2)cc1 ZINC000066136421 562713115 /nfs/dbraw/zinc/71/31/15/562713115.db2.gz WXARHUFBCYJOBN-UHFFFAOYSA-N 1 1 558.542 4.876 1 0 KJAFMO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)C3CCCC3)cc2)cc1 ZINC000066138315 562713314 /nfs/dbraw/zinc/71/33/14/562713314.db2.gz ZVRNXAPDJOYFDK-UHFFFAOYSA-N 1 1 505.684 4.648 1 0 KJAFMO O=C(NCC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1 ZINC000066155283 562713777 /nfs/dbraw/zinc/71/37/77/562713777.db2.gz BWQVHTJTXLIHEO-QGZVFWFLSA-N 1 1 588.273 4.647 1 0 KJAFMO O=C(NCC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1 ZINC000066155284 562713779 /nfs/dbraw/zinc/71/37/79/562713779.db2.gz BWQVHTJTXLIHEO-KRWDZBQOSA-N 1 1 588.273 4.647 1 0 KJAFMO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@H]([NH3+])CC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166073 562714070 /nfs/dbraw/zinc/71/40/70/562714070.db2.gz AQFYIHXPWYMVRK-SXDGJLEOSA-N 1 1 615.779 4.611 1 0 KJAFMO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[C@@H]([NH3+])C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166075 562714050 /nfs/dbraw/zinc/71/40/50/562714050.db2.gz AQFYIHXPWYMVRK-MVOZIGHISA-N 1 1 615.779 4.611 1 0 KJAFMO COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)C[C@@H]([NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166079 562714056 /nfs/dbraw/zinc/71/40/56/562714056.db2.gz AQFYIHXPWYMVRK-UXWDXCIHSA-N 1 1 615.779 4.611 1 0 KJAFMO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[C@@H]([NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166083 562714039 /nfs/dbraw/zinc/71/40/39/562714039.db2.gz AQFYIHXPWYMVRK-AWVRMFGXSA-N 1 1 615.779 4.611 1 0 KJAFMO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H]([NH3+])CC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166108 562714033 /nfs/dbraw/zinc/71/40/33/562714033.db2.gz AQFYIHXPWYMVRK-JWZKTCGFSA-N 1 1 615.779 4.611 1 0 KJAFMO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[C@H]([NH3+])C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166111 562714062 /nfs/dbraw/zinc/71/40/62/562714062.db2.gz AQFYIHXPWYMVRK-MRJKTFCFSA-N 1 1 615.779 4.611 1 0 KJAFMO COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)C[C@H]([NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166114 562714068 /nfs/dbraw/zinc/71/40/68/562714068.db2.gz AQFYIHXPWYMVRK-LXWOLXCRSA-N 1 1 615.779 4.611 1 0 KJAFMO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[C@H]([NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166117 562714064 /nfs/dbraw/zinc/71/40/64/562714064.db2.gz AQFYIHXPWYMVRK-IWHLBADBSA-N 1 1 615.779 4.611 1 0 KJAFMO CCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066166483 562714108 /nfs/dbraw/zinc/71/41/08/562714108.db2.gz YJPCOBJYDIPZJZ-UHFFFAOYSA-N 1 1 507.700 4.758 1 0 KJAFMO CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)[C@@H](C)CC)cc2)cc1 ZINC000066166876 562714162 /nfs/dbraw/zinc/71/41/62/562714162.db2.gz ZHBDEKIXYRCUDC-QHCPKHFHSA-N 1 1 507.700 4.758 1 0 KJAFMO CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)[C@H](C)CC)cc2)cc1 ZINC000066166877 562714155 /nfs/dbraw/zinc/71/41/55/562714155.db2.gz ZHBDEKIXYRCUDC-HSZRJFAPSA-N 1 1 507.700 4.758 1 0 KJAFMO O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066251957 562714654 /nfs/dbraw/zinc/71/46/54/562714654.db2.gz HMEJFZSEXKCCDA-BFXDSYMESA-N 1 1 579.051 4.572 1 0 KJAFMO O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066251958 562714656 /nfs/dbraw/zinc/71/46/56/562714656.db2.gz HMEJFZSEXKCCDA-PVGYFADJSA-N 1 1 579.051 4.572 1 0 KJAFMO O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252153 562714686 /nfs/dbraw/zinc/71/46/86/562714686.db2.gz ADHBVRBWCKLGSK-FSIVXCNASA-N 1 1 579.051 4.572 1 0 KJAFMO O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252154 562714666 /nfs/dbraw/zinc/71/46/66/562714666.db2.gz ADHBVRBWCKLGSK-AAFXAJRRSA-N 1 1 579.051 4.572 1 0 KJAFMO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252155 562714664 /nfs/dbraw/zinc/71/46/64/562714664.db2.gz BLRCORYESPODNI-RZRVZGFNSA-N 1 1 579.051 4.572 1 0 KJAFMO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252156 562714673 /nfs/dbraw/zinc/71/46/73/562714673.db2.gz BLRCORYESPODNI-SHZPJRIYSA-N 1 1 579.051 4.572 1 0 KJAFMO O=C(/C=C/c1cccc(Br)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252383 562714736 /nfs/dbraw/zinc/71/47/36/562714736.db2.gz NNDFRWQUGIZALK-FSIVXCNASA-N 1 1 623.502 4.681 1 0 KJAFMO O=C(/C=C/c1cccc(Br)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252384 562714729 /nfs/dbraw/zinc/71/47/29/562714729.db2.gz NNDFRWQUGIZALK-AAFXAJRRSA-N 1 1 623.502 4.681 1 0 KJAFMO O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252385 562714703 /nfs/dbraw/zinc/71/47/03/562714703.db2.gz MPHCCMZAVSDCIR-RZRVZGFNSA-N 1 1 623.502 4.681 1 0 KJAFMO O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252386 562714773 /nfs/dbraw/zinc/71/47/73/562714773.db2.gz MPHCCMZAVSDCIR-SHZPJRIYSA-N 1 1 623.502 4.681 1 0 KJAFMO COCC[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)CC1 ZINC000066252475 562714776 /nfs/dbraw/zinc/71/47/76/562714776.db2.gz BYTZCBJDCIRRLS-UHFFFAOYSA-N 1 1 611.768 4.602 1 0 KJAFMO C[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)CC1 ZINC000066252478 562714755 /nfs/dbraw/zinc/71/47/55/562714755.db2.gz MERVIMGBTXCSAP-UHFFFAOYSA-N 1 1 567.715 4.586 1 0 KJAFMO CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)CC1 ZINC000066252765 562714871 /nfs/dbraw/zinc/71/48/71/562714871.db2.gz ZAUSBSFKXPMEBM-UHFFFAOYSA-N 1 1 609.752 4.892 1 0 KJAFMO COCC[N@H+]1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(N5CCOCC5)cc4OC)n3)c(OC)cc2CC1 ZINC000066252806 562714887 /nfs/dbraw/zinc/71/48/87/562714887.db2.gz MKNXBDPSGZZPKP-UHFFFAOYSA-N 1 1 569.106 4.518 1 0 KJAFMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3oc4ccccc4c32)C[C@H](C)O1 ZINC000066263776 562715572 /nfs/dbraw/zinc/71/55/72/562715572.db2.gz XBRCIVXDHXRSGB-SZPZYZBQSA-N 1 1 581.673 4.535 1 0 KJAFMO CNC(=O)c1cccc(Cl)c1Nc1nc(Nc2ccc3c(c2)CC[N@H+](CCOC)CC3)ncc1Cl ZINC000066263802 562715603 /nfs/dbraw/zinc/71/56/03/562715603.db2.gz ISCFWDSEWHMZOJ-UHFFFAOYSA-N 1 1 515.445 4.677 1 0 KJAFMO C[N@H+]1CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198773 562715965 /nfs/dbraw/zinc/71/59/65/562715965.db2.gz AYTHGYXLJROVNU-WBLQKYSJSA-N 1 1 511.610 4.869 1 0 KJAFMO C[N@@H+]1CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198773 562715964 /nfs/dbraw/zinc/71/59/64/562715964.db2.gz AYTHGYXLJROVNU-WBLQKYSJSA-N 1 1 511.610 4.869 1 0 KJAFMO Nc1cc(CN2CCC(F)(C(=O)N3CCC([NH+]4Cc5ccccc5-c5ccccc5C4)CC3)CC2)ccn1 ZINC000068200704 562715933 /nfs/dbraw/zinc/71/59/33/562715933.db2.gz NEPGOHXZJPYLLQ-UHFFFAOYSA-N 1 1 513.661 4.642 1 0 KJAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CC[N@H+](C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000068245724 562716106 /nfs/dbraw/zinc/71/61/06/562716106.db2.gz ZHGVRKOWQCMMRX-QHCPKHFHSA-N 1 1 542.588 4.987 1 0 KJAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CC[N@H+](C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000068245725 562716117 /nfs/dbraw/zinc/71/61/17/562716117.db2.gz ZHGVRKOWQCMMRX-HSZRJFAPSA-N 1 1 542.588 4.987 1 0 KJAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccnc(Cl)c2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000068245743 562716086 /nfs/dbraw/zinc/71/60/86/562716086.db2.gz ACYMETHQFZHOBR-OAQYLSRUSA-N 1 1 612.436 4.684 1 0 KJAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)c2nn[nH]n2)CC1 ZINC000071296105 562717437 /nfs/dbraw/zinc/71/74/37/562717437.db2.gz JWBCOXHRHLBATD-ZVBBVAIHSA-N 1 1 566.754 4.954 1 0 KJAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)c2nn[nH]n2)CC1 ZINC000071296105 562717436 /nfs/dbraw/zinc/71/74/36/562717436.db2.gz JWBCOXHRHLBATD-ZVBBVAIHSA-N 1 1 566.754 4.954 1 0 KJAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000071296844 562717666 /nfs/dbraw/zinc/71/76/66/562717666.db2.gz XSXYFSJDJAYGID-BKMJKUGQSA-N 1 1 545.101 4.602 1 0 KJAFMO C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)[N@@H+]1C ZINC000071296984 562717708 /nfs/dbraw/zinc/71/77/08/562717708.db2.gz JMZSDACYKDRROH-FMGHJNRGSA-N 1 1 585.809 4.575 1 0 KJAFMO CCN(Cc1c(Cl)cncc1Cl)C(=O)CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1 ZINC000071316301 562717909 /nfs/dbraw/zinc/71/79/09/562717909.db2.gz URQQWTLRIVLHHG-UHFFFAOYSA-N 1 1 562.933 4.657 1 0 KJAFMO O=C(CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccccc1)Cc1ccncc1 ZINC000071316360 562717882 /nfs/dbraw/zinc/71/78/82/562717882.db2.gz OWGWIDVJYFPTSN-UHFFFAOYSA-N 1 1 556.114 4.531 1 0 KJAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCC[NH+]2CCN(C)CC2)Cc2ccccc2)c(C)c1C ZINC000071316498 562717951 /nfs/dbraw/zinc/71/79/51/562717951.db2.gz KLVMIPGFTQDCHG-HKBQPEDESA-N 1 1 641.278 4.830 1 0 KJAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)Cc2cccc(Cl)c2)cc1 ZINC000071316671 562717981 /nfs/dbraw/zinc/71/79/81/562717981.db2.gz CJTIPMLCVLLJIS-RPLLCQBOSA-N 1 1 523.073 4.983 1 0 KJAFMO CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CC[NH2+]C[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)ccc1O)C(C)C ZINC000071317567 562718260 /nfs/dbraw/zinc/71/82/60/562718260.db2.gz NZHNIGYHUYTHPF-ZUKKLESISA-N 1 1 583.795 4.976 1 0 KJAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N(CCC[NH+]2CCN(C)CC2)Cc2ccccc2)c(C)c1C ZINC000071317952 562718334 /nfs/dbraw/zinc/71/83/34/562718334.db2.gz RTLIFYHBQGTFTA-HKBQPEDESA-N 1 1 612.881 4.904 1 0 KJAFMO COc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N(CCC[NH+]2CCN(C)CC2)Cc2ccccc2)c(C)c1C ZINC000071319037 562718700 /nfs/dbraw/zinc/71/87/00/562718700.db2.gz KLVMIPGFTQDCHG-WJOKGBTCSA-N 1 1 641.278 4.830 1 0 KJAFMO COc1ccc([C@H]2C[N@@H+](CCC3CCS(=O)(=O)CC3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071329284 562718866 /nfs/dbraw/zinc/71/88/66/562718866.db2.gz CYYAXTCZGPRATM-SQJMNOBHSA-N 1 1 505.080 4.608 1 0 KJAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4cc(Br)ccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071329710 562718967 /nfs/dbraw/zinc/71/89/67/562718967.db2.gz IIWUABBDHIARNG-PCFFTZKOSA-N 1 1 613.512 4.619 1 0 KJAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)C[N@H+](C)CCN(C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071334206 562719533 /nfs/dbraw/zinc/71/95/33/562719533.db2.gz WORUJHPVZKAEDO-RPQLRNILSA-N 1 1 564.808 4.777 1 0 KJAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)C[N@@H+](C)CCN(C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071334206 562719532 /nfs/dbraw/zinc/71/95/32/562719532.db2.gz WORUJHPVZKAEDO-RPQLRNILSA-N 1 1 564.808 4.777 1 0 KJAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)CN(C)CC[N@@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071334206 562719531 /nfs/dbraw/zinc/71/95/31/562719531.db2.gz WORUJHPVZKAEDO-RPQLRNILSA-N 1 1 564.808 4.777 1 0 KJAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)CN(C)CC[N@@H+](C)C[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071334209 562719564 /nfs/dbraw/zinc/71/95/64/562719564.db2.gz WORUJHPVZKAEDO-SRPPIYJJSA-N 1 1 564.808 4.777 1 0 KJAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)C[NH+]2CCN(C[C@@H](O)CCCCCCCC3=C[C@H](C)OC3=O)CC2)C(=O)O1 ZINC000071410571 562720137 /nfs/dbraw/zinc/72/01/37/562720137.db2.gz AUNLYYRGYSALHA-RPQLRNILSA-N 1 1 562.792 4.531 1 0 KJAFMO COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000072104299 562720441 /nfs/dbraw/zinc/72/04/41/562720441.db2.gz LBFIANPTQSJRPJ-HZFUHODCSA-N 1 1 504.631 4.573 1 0 KJAFMO COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000072104301 562720421 /nfs/dbraw/zinc/72/04/21/562720421.db2.gz LBFIANPTQSJRPJ-UPRLRBBYSA-N 1 1 504.631 4.573 1 0 KJAFMO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072104651 562720554 /nfs/dbraw/zinc/72/05/54/562720554.db2.gz NVCPMQGMUOQYGP-AREMUKBSSA-N 1 1 562.089 4.862 1 0 KJAFMO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072104652 562720537 /nfs/dbraw/zinc/72/05/37/562720537.db2.gz NVCPMQGMUOQYGP-SANMLTNESA-N 1 1 562.089 4.862 1 0 KJAFMO COc1ccc(-n2c(C)c(C(=O)NC[C@@H](O)C[NH+]3CCN(c4cccc(Cl)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072104655 562720544 /nfs/dbraw/zinc/72/05/44/562720544.db2.gz LSKLPCRTJAJIMX-AREMUKBSSA-N 1 1 574.125 4.731 1 0 KJAFMO COc1ccc(-n2c(C)c(C(=O)NC[C@H](O)C[NH+]3CCN(c4cccc(Cl)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072104656 562720539 /nfs/dbraw/zinc/72/05/39/562720539.db2.gz LSKLPCRTJAJIMX-SANMLTNESA-N 1 1 574.125 4.731 1 0 KJAFMO CCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1 ZINC000072104731 562720610 /nfs/dbraw/zinc/72/06/10/562720610.db2.gz CDUMRTXECVLKGP-UHFFFAOYSA-N 1 1 500.474 4.992 1 0 KJAFMO COc1ccccc1-n1c(C)nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c1C ZINC000072104740 562720608 /nfs/dbraw/zinc/72/06/08/562720608.db2.gz XDJQMZTWECSFPC-UHFFFAOYSA-N 1 1 516.473 4.747 1 0 KJAFMO COc1ccc(-n2c(C)nc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1 ZINC000072104830 562720671 /nfs/dbraw/zinc/72/06/71/562720671.db2.gz KLFKNFRLZJDZER-UHFFFAOYSA-N 1 1 516.473 4.747 1 0 KJAFMO Cc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072105213 562720755 /nfs/dbraw/zinc/72/07/55/562720755.db2.gz WKFAPLKCZNAYLA-UHFFFAOYSA-N 1 1 544.483 4.509 1 0 KJAFMO CCCC[C@H](OC(=O)C[NH+](CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCCO[N+](=O)[O-])cc1 ZINC000072106301 562721004 /nfs/dbraw/zinc/72/10/04/562721004.db2.gz RGCKYOBLAKNOFC-PUCKYXGOSA-N 1 1 569.655 4.750 1 0 KJAFMO CCCC[C@@H](OC(=O)C[NH+](CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCCO[N+](=O)[O-])cc1 ZINC000072106302 562720992 /nfs/dbraw/zinc/72/09/92/562720992.db2.gz RGCKYOBLAKNOFC-IHPPKGGTSA-N 1 1 569.655 4.750 1 0 KJAFMO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072106405 562721002 /nfs/dbraw/zinc/72/10/02/562721002.db2.gz YUOKVHDKDPFSMF-AREMUKBSSA-N 1 1 544.099 4.722 1 0 KJAFMO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072106406 562720987 /nfs/dbraw/zinc/72/09/87/562720987.db2.gz YUOKVHDKDPFSMF-SANMLTNESA-N 1 1 544.099 4.722 1 0 KJAFMO Cc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1F ZINC000072106488 562721033 /nfs/dbraw/zinc/72/10/33/562721033.db2.gz ANIIFABGCPBBJW-UHFFFAOYSA-N 1 1 504.437 4.877 1 0 KJAFMO COCC[N@@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(F)cn1)c(=O)n2Cc1c(F)cccc1F ZINC000072107089 562721188 /nfs/dbraw/zinc/72/11/88/562721188.db2.gz VCMBWOOLZJOHHG-UHFFFAOYSA-N 1 1 654.671 4.503 1 0 KJAFMO COCC[N@@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(OC)cc1)c(=O)n2Cc1c(F)cccc1F ZINC000072107090 562721200 /nfs/dbraw/zinc/72/12/00/562721200.db2.gz CNDRKNVYBJEVFY-UHFFFAOYSA-N 1 1 665.719 4.977 1 0 KJAFMO COCC[N@@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(C)cn1)c(=O)n2Cc1c(F)cccc1F ZINC000072108748 562721496 /nfs/dbraw/zinc/72/14/96/562721496.db2.gz HCJYDJMLQMLSAN-UHFFFAOYSA-N 1 1 650.708 4.672 1 0 KJAFMO COCC[N@@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F ZINC000072109700 562721584 /nfs/dbraw/zinc/72/15/84/562721584.db2.gz KQQDOLKHWXDVHM-UHFFFAOYSA-N 1 1 635.693 4.969 1 0 KJAFMO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)CCN2CCCC2=O)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072109931 562721677 /nfs/dbraw/zinc/72/16/77/562721677.db2.gz ZBZJWZAAYHXCAJ-UHFFFAOYSA-N 1 1 688.757 4.945 1 0 KJAFMO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)CCN2CCCC2=O)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072109931 562721676 /nfs/dbraw/zinc/72/16/76/562721676.db2.gz ZBZJWZAAYHXCAJ-UHFFFAOYSA-N 1 1 688.757 4.945 1 0 KJAFMO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)CCn2ccnn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110433 562721813 /nfs/dbraw/zinc/72/18/13/562721813.db2.gz VNISZKLRKNEAMG-UHFFFAOYSA-N 1 1 672.718 4.614 1 0 KJAFMO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)CCn2ccnn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110433 562721812 /nfs/dbraw/zinc/72/18/12/562721812.db2.gz VNISZKLRKNEAMG-UHFFFAOYSA-N 1 1 672.718 4.614 1 0 KJAFMO CCCCn1cc(CCCCOc2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2OC)nn1 ZINC000072112780 562722201 /nfs/dbraw/zinc/72/22/01/562722201.db2.gz SVCSCOQWJKNMQT-UHFFFAOYSA-N 1 1 507.679 4.819 1 0 KJAFMO O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCNCCC[NH2+]CCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C1=O ZINC000072113270 562722296 /nfs/dbraw/zinc/72/22/96/562722296.db2.gz MKBUBBXZSVSVOX-UHFFFAOYSA-N 1 1 624.741 4.515 1 0 KJAFMO O=C1C(c2cccs2)=C(c2cccs2)C(=O)N1CCNCCC[NH2+]CCN1C(=O)C(c2cccs2)=C(c2cccs2)C1=O ZINC000072113638 562722411 /nfs/dbraw/zinc/72/24/11/562722411.db2.gz ALRNHVOBLPYINB-UHFFFAOYSA-N 1 1 648.857 4.761 1 0 KJAFMO COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3[nH]c(-c4ccccc4)c(-c4ccccc4)c3c2=O)CC1 ZINC000072114318 562722665 /nfs/dbraw/zinc/72/26/65/562722665.db2.gz XUHINFLVZNNVDQ-UHFFFAOYSA-N 1 1 521.621 4.595 1 0 KJAFMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000072120304 562723991 /nfs/dbraw/zinc/72/39/91/562723991.db2.gz SZLZWPPUNLXJEA-IKKROOSDSA-N 1 1 634.726 4.571 1 0 KJAFMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000072120304 562723990 /nfs/dbraw/zinc/72/39/90/562723990.db2.gz SZLZWPPUNLXJEA-IKKROOSDSA-N 1 1 634.726 4.571 1 0 KJAFMO C[C@@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000072120486 562724055 /nfs/dbraw/zinc/72/40/55/562724055.db2.gz XLDJHBUXULKFIC-KRWDZBQOSA-N 1 1 554.432 4.543 1 0 KJAFMO CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H]4[C@@H]5C[N@H+]6C[C@H](C)CC[C@H]6[C@H](C)[C@H]5CC[C@@]4(O)[C@@H]3C[C@@H](OC(C)=O)[C@H]2C1 ZINC000072120537 562724098 /nfs/dbraw/zinc/72/40/98/562724098.db2.gz HXCNNBUQYOTILV-GJWALRBFSA-N 1 1 515.735 4.820 1 0 KJAFMO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cnc2ccccc2c1 ZINC000072122035 562724331 /nfs/dbraw/zinc/72/43/31/562724331.db2.gz BWVJKDFOYXQRRJ-VWLOTQADSA-N 1 1 505.622 4.556 1 0 KJAFMO Cc1c(C(=O)NCCC[N@H+](C)CCCNS(C)(=O)=O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072126147 562725302 /nfs/dbraw/zinc/72/53/02/562725302.db2.gz OMKIRMOGCJJVIP-UHFFFAOYSA-N 1 1 586.973 4.799 1 0 KJAFMO COc1ccccc1N1CCN(CCCCN2C(=O)N3CCC[C@@]3(CC[NH2+]CCCCCNS(=O)(=O)c3cccc4c3cccc4N(C)C)C2=O)CC1 ZINC000072131630 562726708 /nfs/dbraw/zinc/72/67/08/562726708.db2.gz AIYJDZKQHORDMD-RRHRGVEJSA-N 1 1 748.007 4.742 1 0 KJAFMO COc1ccccc1N1CCN(CCCCN2C(=O)N3CCC[C@]3(CC[NH2+]CCCCCNS(=O)(=O)c3cccc4c3cccc4N(C)C)C2=O)CC1 ZINC000072131631 562726700 /nfs/dbraw/zinc/72/67/00/562726700.db2.gz AIYJDZKQHORDMD-FAIXQHPJSA-N 1 1 748.007 4.742 1 0 KJAFMO CS(=O)(=O)N1CCC(CN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H]2CC[C@]3(c4cccc(C[N@H+]5CC[C@H](O)C5)c4)C[C@@H]3C2)CC1 ZINC000072132597 562726837 /nfs/dbraw/zinc/72/68/37/562726837.db2.gz HQSKPDKYNHSDCK-XQEAZIIASA-N 1 1 650.673 4.971 1 0 KJAFMO CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)C(C)(C)C)CSC1(C)C ZINC000072132803 562726902 /nfs/dbraw/zinc/72/69/02/562726902.db2.gz XVWYVCPHOAYZCM-ABANCFTRSA-N 1 1 744.015 4.979 1 0 KJAFMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@H+]5CCO[C@H](Cc6ccccc6)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135665 562727512 /nfs/dbraw/zinc/72/75/12/562727512.db2.gz QPYXJPUFHQIYLZ-UDMKUIBPSA-N 1 1 507.715 4.696 1 0 KJAFMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@@H+]5CCO[C@H](Cc6ccccc6)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135665 562727511 /nfs/dbraw/zinc/72/75/11/562727511.db2.gz QPYXJPUFHQIYLZ-UDMKUIBPSA-N 1 1 507.715 4.696 1 0 KJAFMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@H+]5CCO[C@@H](Cc6ccccc6)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135720 562727534 /nfs/dbraw/zinc/72/75/34/562727534.db2.gz QPYXJPUFHQIYLZ-DSDZPPQHSA-N 1 1 507.715 4.696 1 0 KJAFMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@@H+]5CCO[C@@H](Cc6ccccc6)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135720 562727533 /nfs/dbraw/zinc/72/75/33/562727533.db2.gz QPYXJPUFHQIYLZ-DSDZPPQHSA-N 1 1 507.715 4.696 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000072135770 562727560 /nfs/dbraw/zinc/72/75/60/562727560.db2.gz NKHCTIRKNVNUBN-BUEREQSYSA-N 1 1 605.679 4.858 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000072135770 562727559 /nfs/dbraw/zinc/72/75/59/562727559.db2.gz NKHCTIRKNVNUBN-BUEREQSYSA-N 1 1 605.679 4.858 1 0 KJAFMO O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)[N@H+](Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136491 562728027 /nfs/dbraw/zinc/72/80/27/562728027.db2.gz XTVGMFVZOGSPBB-SDHSZQHLSA-N 1 1 509.031 4.899 1 0 KJAFMO O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)[N@@H+](Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136491 562728026 /nfs/dbraw/zinc/72/80/26/562728026.db2.gz XTVGMFVZOGSPBB-SDHSZQHLSA-N 1 1 509.031 4.899 1 0 KJAFMO O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)[N@H+](Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136492 562728021 /nfs/dbraw/zinc/72/80/21/562728021.db2.gz XTVGMFVZOGSPBB-GVAUOCQISA-N 1 1 509.031 4.899 1 0 KJAFMO O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)[N@@H+](Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136492 562728020 /nfs/dbraw/zinc/72/80/20/562728020.db2.gz XTVGMFVZOGSPBB-GVAUOCQISA-N 1 1 509.031 4.899 1 0 KJAFMO O=C(OCc1cn([C@@H]2C[N@H+](Cc3cccs3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136953 562728210 /nfs/dbraw/zinc/72/82/10/562728210.db2.gz FUXCQDIAOOJVLO-GVAUOCQISA-N 1 1 509.031 4.899 1 0 KJAFMO O=C(OCc1cn([C@@H]2C[N@@H+](Cc3cccs3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136953 562728209 /nfs/dbraw/zinc/72/82/09/562728209.db2.gz FUXCQDIAOOJVLO-GVAUOCQISA-N 1 1 509.031 4.899 1 0 KJAFMO COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000072137594 562728347 /nfs/dbraw/zinc/72/83/47/562728347.db2.gz JEOHSRSFZWJSOZ-IARZGTGTSA-N 1 1 504.631 4.573 1 0 KJAFMO COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000072137596 562728314 /nfs/dbraw/zinc/72/83/14/562728314.db2.gz JEOHSRSFZWJSOZ-UPRLRBBYSA-N 1 1 504.631 4.573 1 0 KJAFMO COC[C@H]1CN(C(=O)c2c3cnc(OC)cc3n(C3CCCCC3)c2Cc2cccc(F)c2C)CC[NH2+]1 ZINC000072141215 562729348 /nfs/dbraw/zinc/72/93/48/562729348.db2.gz BBKCWSUBHZNUGG-OAQYLSRUSA-N 1 1 508.638 4.649 1 0 KJAFMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072172080 562730590 /nfs/dbraw/zinc/73/05/90/562730590.db2.gz HDAWEBWHSKWNKU-GDLZYMKVSA-N 1 1 616.591 4.546 1 0 KJAFMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072172081 562730621 /nfs/dbraw/zinc/73/06/21/562730621.db2.gz HDAWEBWHSKWNKU-LJAQVGFWSA-N 1 1 616.591 4.546 1 0 KJAFMO O=C(/C=C/c1ccccc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173126 562730764 /nfs/dbraw/zinc/73/07/64/562730764.db2.gz QHEQIRPBXUBDBB-TYONGCAVSA-N 1 1 612.603 4.937 1 0 KJAFMO O=C(/C=C/c1ccccc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173127 562730770 /nfs/dbraw/zinc/73/07/70/562730770.db2.gz QHEQIRPBXUBDBB-SMAAHIPSSA-N 1 1 612.603 4.937 1 0 KJAFMO O=C(/C=C/c1ccco1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173254 562730873 /nfs/dbraw/zinc/73/08/73/562730873.db2.gz FUFSQOCUAPXSRE-KXTHUWMESA-N 1 1 602.564 4.530 1 0 KJAFMO O=C(/C=C/c1ccco1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173255 562730844 /nfs/dbraw/zinc/73/08/44/562730844.db2.gz FUFSQOCUAPXSRE-XTCKYKGNSA-N 1 1 602.564 4.530 1 0 KJAFMO COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173323 562730924 /nfs/dbraw/zinc/73/09/24/562730924.db2.gz AOVBLAGZFIKPBG-XPZLYCDASA-N 1 1 672.655 4.954 1 0 KJAFMO COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173324 562730929 /nfs/dbraw/zinc/73/09/29/562730929.db2.gz AOVBLAGZFIKPBG-UPAUECKQSA-N 1 1 672.655 4.954 1 0 KJAFMO COc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1OC ZINC000072174380 562731080 /nfs/dbraw/zinc/73/10/80/562731080.db2.gz WYTRDKWLZSNDLW-KZWMBQABSA-N 1 1 672.655 4.954 1 0 KJAFMO COc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1OC ZINC000072174381 562731100 /nfs/dbraw/zinc/73/11/00/562731100.db2.gz WYTRDKWLZSNDLW-FCUOVPDASA-N 1 1 672.655 4.954 1 0 KJAFMO CC[N@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1 ZINC000072174948 562731220 /nfs/dbraw/zinc/73/12/20/562731220.db2.gz MATHWQFCWXKDBA-WOJBJXKFSA-N 1 1 510.992 4.696 1 0 KJAFMO CC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1 ZINC000072174948 562731219 /nfs/dbraw/zinc/73/12/19/562731219.db2.gz MATHWQFCWXKDBA-WOJBJXKFSA-N 1 1 510.992 4.696 1 0 KJAFMO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccccc1 ZINC000072174983 562731274 /nfs/dbraw/zinc/73/12/74/562731274.db2.gz DRYWKHVFEMUYPT-MUUNZHRXSA-N 1 1 586.565 4.537 1 0 KJAFMO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccccc1 ZINC000072174984 562731236 /nfs/dbraw/zinc/73/12/36/562731236.db2.gz DRYWKHVFEMUYPT-NDEPHWFRSA-N 1 1 586.565 4.537 1 0 KJAFMO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000072175259 562731277 /nfs/dbraw/zinc/73/12/77/562731277.db2.gz MBAWVGOQZXLBON-MUUNZHRXSA-N 1 1 604.555 4.677 1 0 KJAFMO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000072175260 562731308 /nfs/dbraw/zinc/73/13/08/562731308.db2.gz MBAWVGOQZXLBON-NDEPHWFRSA-N 1 1 604.555 4.677 1 0 KJAFMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072175670 562731394 /nfs/dbraw/zinc/73/13/94/562731394.db2.gz GCGFJHBPHXSEKZ-GDLZYMKVSA-N 1 1 600.592 4.846 1 0 KJAFMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072175671 562731392 /nfs/dbraw/zinc/73/13/92/562731392.db2.gz GCGFJHBPHXSEKZ-LJAQVGFWSA-N 1 1 600.592 4.846 1 0 KJAFMO CCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175677 562731387 /nfs/dbraw/zinc/73/13/87/562731387.db2.gz ZWDJEFHONSYZSE-HHHXNRCGSA-N 1 1 580.602 4.804 1 0 KJAFMO CCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175678 562731383 /nfs/dbraw/zinc/73/13/83/562731383.db2.gz ZWDJEFHONSYZSE-MHZLTWQESA-N 1 1 580.602 4.804 1 0 KJAFMO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[N@@H+](C)CC4)cc3OC)nc1-2 ZINC000072178666 562732093 /nfs/dbraw/zinc/73/20/93/562732093.db2.gz JRZGFHZNTXYGPL-UHFFFAOYSA-N 1 1 622.774 4.883 1 0 KJAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](SC(C)(C)C)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178997 562732195 /nfs/dbraw/zinc/73/21/95/562732195.db2.gz LJTYFOPORRMVFP-PZJWPPBQSA-N 1 1 566.757 4.561 1 0 KJAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](SC(C)(C)C)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178997 562732194 /nfs/dbraw/zinc/73/21/94/562732194.db2.gz LJTYFOPORRMVFP-PZJWPPBQSA-N 1 1 566.757 4.561 1 0 KJAFMO COc1ccc(CN(CC[N@@H+](C)CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1 ZINC000073138851 562733424 /nfs/dbraw/zinc/73/34/24/562733424.db2.gz GZUNLKUPHLSRKX-UHFFFAOYSA-N 1 1 561.130 4.621 1 0 KJAFMO CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)OC)c2)[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000073155984 562733801 /nfs/dbraw/zinc/73/38/01/562733801.db2.gz FEFGAECMIYQVFL-MUUNZHRXSA-N 1 1 515.658 4.649 1 0 KJAFMO C[N@H+]1CCCN(c2ccc(C(=O)Nc3c(O)cccc3NC(=O)c3ccc(Br)s3)cc2)CC1 ZINC000073160911 562734101 /nfs/dbraw/zinc/73/41/01/562734101.db2.gz YCUUQZKLXRKPMO-UHFFFAOYSA-N 1 1 529.460 4.863 1 0 KJAFMO O=C(Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1)C1CC1 ZINC000073161346 562734070 /nfs/dbraw/zinc/73/40/70/562734070.db2.gz LYTCXQWSMLSBBT-SSEXGKCCSA-N 1 1 526.656 4.927 1 0 KJAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccc(F)cc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073164459 562734305 /nfs/dbraw/zinc/73/43/05/562734305.db2.gz UHJLPAVCVVEQGP-HSZRJFAPSA-N 1 1 594.993 4.774 1 0 KJAFMO C[N@H+]1CCCN(c2ccc(C(=O)Nc3c(O)cccc3NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000073164979 562734411 /nfs/dbraw/zinc/73/44/11/562734411.db2.gz QJRVTOAGABTZME-UHFFFAOYSA-N 1 1 523.431 4.801 1 0 KJAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073168765 562734779 /nfs/dbraw/zinc/73/47/79/562734779.db2.gz KAZJACRSYJQAEE-HSZRJFAPSA-N 1 1 577.003 4.635 1 0 KJAFMO C[NH+]1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2Cl)CC1 ZINC000073195913 562734966 /nfs/dbraw/zinc/73/49/66/562734966.db2.gz DWAWSDBNWWEXEB-UHFFFAOYSA-N 1 1 554.120 4.622 1 0 KJAFMO O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(C[N@H+]3CC[C@@H](Oc4ccc(Cl)cc4)C3)cc1)ccc2[O-] ZINC000073197773 562735507 /nfs/dbraw/zinc/73/55/07/562735507.db2.gz YGFPXLTUYOSIJW-XMMPIXPASA-N 1 1 524.086 4.977 1 0 KJAFMO C[N@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(NC(=O)N3CCOCC3)c2)C1 ZINC000073198078 562735591 /nfs/dbraw/zinc/73/55/91/562735591.db2.gz NNLIBDONTYMYIU-NSCUHMNNSA-N 1 1 500.603 4.522 1 0 KJAFMO C[N@@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(NC(=O)N3CCOCC3)c2)C1 ZINC000073198078 562735590 /nfs/dbraw/zinc/73/55/90/562735590.db2.gz NNLIBDONTYMYIU-NSCUHMNNSA-N 1 1 500.603 4.522 1 0 KJAFMO COc1ccc(OCCCCC[N@H+]2CCC[C@@H](COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)C2)cc1OC ZINC000073198377 562735714 /nfs/dbraw/zinc/73/57/14/562735714.db2.gz KCQJXZQJURSHIN-XZOQPEGZSA-N 1 1 552.668 4.721 1 0 KJAFMO COc1ccc(OCCCCC[N@H+]2CCC[C@H](COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)C2)cc1OC ZINC000073198378 562735658 /nfs/dbraw/zinc/73/56/58/562735658.db2.gz KCQJXZQJURSHIN-GOTSBHOMSA-N 1 1 552.668 4.721 1 0 KJAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCOc3ccc4ccccc4c3)C2)C1=O ZINC000073198707 562735837 /nfs/dbraw/zinc/73/58/37/562735837.db2.gz DUDRPMCPFKGSHR-FCHUYYIVSA-N 1 1 500.595 4.687 1 0 KJAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCOc3ccc4ccccc4c3)C2)C1=O ZINC000073198708 562735841 /nfs/dbraw/zinc/73/58/41/562735841.db2.gz DUDRPMCPFKGSHR-VXKWHMMOSA-N 1 1 500.595 4.687 1 0 KJAFMO O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CC[NH2+]CC(F)F)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000073198888 562735870 /nfs/dbraw/zinc/73/58/70/562735870.db2.gz ANANIBOXRQGGII-GDLZYMKVSA-N 1 1 625.116 4.590 1 0 KJAFMO CN1CCN(CCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200200 562736115 /nfs/dbraw/zinc/73/61/15/562736115.db2.gz YPHHCBORUIYXQN-GJTYJFQVSA-N 1 1 501.715 4.752 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000073243013 562737007 /nfs/dbraw/zinc/73/70/07/562737007.db2.gz YGIBVFXPZWEDBG-CTWZREHQSA-N 1 1 530.669 4.612 1 0 KJAFMO CN1CC[NH+](CCCNc2nccc(-c3c4ccc(C(F)(F)F)cn4nc3-c3ccc(F)cc3)n2)CC1 ZINC000073292961 562737540 /nfs/dbraw/zinc/73/75/40/562737540.db2.gz IMHCMZRQPPACMP-UHFFFAOYSA-N 1 1 513.543 4.666 1 0 KJAFMO Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C[N@@H+](CCO)Cc2ccc3c(c2)OCO3)cc1 ZINC000073311818 562737927 /nfs/dbraw/zinc/73/79/27/562737927.db2.gz KVCLJRMRZPBUCP-UHFFFAOYSA-N 1 1 501.608 4.973 1 0 KJAFMO CCN(C)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CCC3)c2)[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000073390832 562738658 /nfs/dbraw/zinc/73/86/58/562738658.db2.gz CCJQAHGQHFUIAD-SSEXGKCCSA-N 1 1 525.697 4.819 1 0 KJAFMO COc1ccc(OCCCCC[N@H+]2CCC[C@@H](COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)C2)cc1 ZINC000082149782 562739710 /nfs/dbraw/zinc/73/97/10/562739710.db2.gz KNBMANAYUGTMMA-DHIUTWEWSA-N 1 1 522.642 4.713 1 0 KJAFMO COc1ccc(OCCCCC[N@H+]2CCC[C@H](COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)C2)cc1 ZINC000082149787 562739720 /nfs/dbraw/zinc/73/97/20/562739720.db2.gz KNBMANAYUGTMMA-PKTZIBPZSA-N 1 1 522.642 4.713 1 0 KJAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)C1=O ZINC000082151500 562739969 /nfs/dbraw/zinc/73/99/69/562739969.db2.gz RCNADLONQXEVAR-FGZHOGPDSA-N 1 1 500.595 4.687 1 0 KJAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)C1=O ZINC000082151502 562739934 /nfs/dbraw/zinc/73/99/34/562739934.db2.gz RCNADLONQXEVAR-YADHBBJMSA-N 1 1 500.595 4.687 1 0 KJAFMO COc1cccc(OCCCCC[N@H+]2CCC[C@@H](COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)C2)c1OC ZINC000082153433 562740212 /nfs/dbraw/zinc/74/02/12/562740212.db2.gz MPGGWDXJHOKGKT-DHIUTWEWSA-N 1 1 552.668 4.721 1 0 KJAFMO COc1cccc(OCCCCC[N@H+]2CCC[C@H](COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)C2)c1OC ZINC000082153440 562740185 /nfs/dbraw/zinc/74/01/85/562740185.db2.gz MPGGWDXJHOKGKT-PKTZIBPZSA-N 1 1 552.668 4.721 1 0 KJAFMO O=C(OC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000082153468 562740199 /nfs/dbraw/zinc/74/01/99/562740199.db2.gz TZMLAGKVOALJAL-SVBPBHIXSA-N 1 1 510.634 4.920 1 0 KJAFMO O=C(OC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000082153470 562740197 /nfs/dbraw/zinc/74/01/97/562740197.db2.gz TZMLAGKVOALJAL-SXOMAYOGSA-N 1 1 510.634 4.920 1 0 KJAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000082155165 562740495 /nfs/dbraw/zinc/74/04/95/562740495.db2.gz PFNXFAJRJKWEML-QZTJIDSGSA-N 1 1 519.425 4.841 1 0 KJAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000082155170 562740477 /nfs/dbraw/zinc/74/04/77/562740477.db2.gz PFNXFAJRJKWEML-MSOLQXFVSA-N 1 1 519.425 4.841 1 0 KJAFMO CC[NH+]1CCN(C[C@H]2S[C@@H](c3ccc(O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164806 562741230 /nfs/dbraw/zinc/74/12/30/562741230.db2.gz MLBRGPVLHGEPSK-FJQKOURKSA-N 1 1 707.861 4.816 1 0 KJAFMO CC[NH+]1CCN(C[C@@H]2S[C@@H](c3ccc(O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164808 562741220 /nfs/dbraw/zinc/74/12/20/562741220.db2.gz MLBRGPVLHGEPSK-VBTAUBHQSA-N 1 1 707.861 4.816 1 0 KJAFMO CC[NH+]1CCN(C[C@H]2S[C@H](c3ccc(O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164810 562741252 /nfs/dbraw/zinc/74/12/52/562741252.db2.gz MLBRGPVLHGEPSK-QIKUIUABSA-N 1 1 707.861 4.816 1 0 KJAFMO CC[NH+]1CCN(C[C@@H]2S[C@H](c3ccc(O)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164813 562741249 /nfs/dbraw/zinc/74/12/49/562741249.db2.gz MLBRGPVLHGEPSK-AFPLUKJUSA-N 1 1 707.861 4.816 1 0 KJAFMO O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4ccc(C[NH+]5CCN(c6ccccc6F)CC5)cc4)CC3)c(F)cc2c1=O ZINC000084402609 562742930 /nfs/dbraw/zinc/74/29/30/562742930.db2.gz SEDKEOUGLVEJBG-UHFFFAOYSA-N 1 1 613.709 4.957 1 0 KJAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)NOC)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000084462352 562743127 /nfs/dbraw/zinc/74/31/27/562743127.db2.gz ARKXMZVKTXQLIR-UHFFFAOYSA-N 1 1 630.652 4.981 1 0 KJAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)NOC)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000084462352 562743126 /nfs/dbraw/zinc/74/31/26/562743126.db2.gz ARKXMZVKTXQLIR-UHFFFAOYSA-N 1 1 630.652 4.981 1 0 KJAFMO COc1ccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(C[N@H+]6CCC[C@H](C)C6)ns5)nc(C)cn34)cn2)cc1 ZINC000084586680 562743415 /nfs/dbraw/zinc/74/34/15/562743415.db2.gz XLGUSDXMFILEGW-FQEVSTJZSA-N 1 1 585.738 4.658 1 0 KJAFMO COc1ccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(C[N@@H+]6CCC[C@H](C)C6)ns5)nc(C)cn34)cn2)cc1 ZINC000084586680 562743414 /nfs/dbraw/zinc/74/34/14/562743414.db2.gz XLGUSDXMFILEGW-FQEVSTJZSA-N 1 1 585.738 4.658 1 0 KJAFMO COc1ccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(C[N@H+]6CCC[C@@H](C)C6)ns5)nc(C)cn34)cn2)cc1 ZINC000084586683 562743423 /nfs/dbraw/zinc/74/34/23/562743423.db2.gz XLGUSDXMFILEGW-HXUWFJFHSA-N 1 1 585.738 4.658 1 0 KJAFMO COc1ccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(C[N@@H+]6CCC[C@@H](C)C6)ns5)nc(C)cn34)cn2)cc1 ZINC000084586683 562743422 /nfs/dbraw/zinc/74/34/22/562743422.db2.gz XLGUSDXMFILEGW-HXUWFJFHSA-N 1 1 585.738 4.658 1 0 KJAFMO Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCNC(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000084604207 562744281 /nfs/dbraw/zinc/74/42/81/562744281.db2.gz KSCRMMICZJKBQC-UHFFFAOYSA-N 1 1 650.872 4.624 1 0 KJAFMO COc1ccc(/C=C(\C)CN(CC[C@@H]2CCC[N@H+]2C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(F)c1 ZINC000084605215 562744351 /nfs/dbraw/zinc/74/43/51/562744351.db2.gz BBJOIMDIAGXPEI-SLTDHEAWSA-N 1 1 500.611 4.890 1 0 KJAFMO COc1ccc(/C=C(\C)CN(CC[C@H]2CCC[N@H+]2C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(F)c1 ZINC000084605217 562744358 /nfs/dbraw/zinc/74/43/58/562744358.db2.gz BBJOIMDIAGXPEI-PGPKDTDWSA-N 1 1 500.611 4.890 1 0 KJAFMO O=C(NCCCNc1c2nc(-c3ccc(OCC[NH+]4CCCCC4)cc3)[nH]c2ncc1Br)C1CCC1 ZINC000084615156 562744437 /nfs/dbraw/zinc/74/44/37/562744437.db2.gz HYCRTUWVJJGNKA-UHFFFAOYSA-N 1 1 555.521 4.970 1 0 KJAFMO CN1CC[NH+](Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(Cl)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084615220 562744445 /nfs/dbraw/zinc/74/44/45/562744445.db2.gz ARIVBAVKNANYQT-UHFFFAOYSA-N 1 1 576.554 4.803 1 0 KJAFMO Cc1ccc2nc(N3CC[NH2+][C@H](C)C3)nc(NCc3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084617372 562744860 /nfs/dbraw/zinc/74/48/60/562744860.db2.gz BDMDIJOFUXIRPP-XMMPIXPASA-N 1 1 581.740 4.882 1 0 KJAFMO Cc1ccc2nc(N3CC[NH2+][C@@H](C)C3)nc(NCc3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084617374 562744863 /nfs/dbraw/zinc/74/48/63/562744863.db2.gz BDMDIJOFUXIRPP-DEOSSOPVSA-N 1 1 581.740 4.882 1 0 KJAFMO Cc1nc(N2CCC([NH+]3CCOCC3)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084617828 562744930 /nfs/dbraw/zinc/74/49/30/562744930.db2.gz SBJXSLMVEVXKIR-RUDMXATFSA-N 1 1 541.574 4.790 1 0 KJAFMO O=C(C[C@H](NCc1ccc2[nH]ccc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084618929 562745159 /nfs/dbraw/zinc/74/51/59/562745159.db2.gz GXBKCQLXHVBEPU-XIFFEERXSA-N 1 1 625.818 4.532 1 0 KJAFMO CN1CC[NH+](Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N4CCCC4)n3)cc2)CC1 ZINC000084619385 562745233 /nfs/dbraw/zinc/74/52/33/562745233.db2.gz DCLWKCJKXWHUIN-UHFFFAOYSA-N 1 1 506.054 4.601 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCN(Cc3cnc(Cl)s3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084620040 562745395 /nfs/dbraw/zinc/74/53/95/562745395.db2.gz RKIQRUNQORPFSW-UHFFFAOYSA-N 1 1 552.572 4.558 1 0 KJAFMO CC(C)(C)[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCC(c3nnnn3-c3ccc(Cl)cc3)CC2)C1 ZINC000084632105 562745483 /nfs/dbraw/zinc/74/54/83/562745483.db2.gz RDAVRUJBMYLHPO-XZOQPEGZSA-N 1 1 529.035 4.814 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccs4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632702 562745614 /nfs/dbraw/zinc/74/56/14/562745614.db2.gz IMRNKQWAMWWEKR-SFHVURJKSA-N 1 1 561.741 4.711 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccs4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632702 562745613 /nfs/dbraw/zinc/74/56/13/562745613.db2.gz IMRNKQWAMWWEKR-SFHVURJKSA-N 1 1 561.741 4.711 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccs4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632705 562745645 /nfs/dbraw/zinc/74/56/45/562745645.db2.gz IMRNKQWAMWWEKR-GOSISDBHSA-N 1 1 561.741 4.711 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccs4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632705 562745644 /nfs/dbraw/zinc/74/56/44/562745644.db2.gz IMRNKQWAMWWEKR-GOSISDBHSA-N 1 1 561.741 4.711 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632856 562745604 /nfs/dbraw/zinc/74/56/04/562745604.db2.gz PBHYAPKEUOBQSL-KRWDZBQOSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632856 562745603 /nfs/dbraw/zinc/74/56/03/562745603.db2.gz PBHYAPKEUOBQSL-KRWDZBQOSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632858 562745634 /nfs/dbraw/zinc/74/56/34/562745634.db2.gz PBHYAPKEUOBQSL-QGZVFWFLSA-N 1 1 560.663 4.506 1 0 in-vitro KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632858 562745633 /nfs/dbraw/zinc/74/56/33/562745633.db2.gz PBHYAPKEUOBQSL-QGZVFWFLSA-N 1 1 560.663 4.506 1 0 in-vitro KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632860 562745600 /nfs/dbraw/zinc/74/56/00/562745600.db2.gz APEKZEQPEXYFDS-KRWDZBQOSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632860 562745599 /nfs/dbraw/zinc/74/55/99/562745599.db2.gz APEKZEQPEXYFDS-KRWDZBQOSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632863 562745630 /nfs/dbraw/zinc/74/56/30/562745630.db2.gz APEKZEQPEXYFDS-QGZVFWFLSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632863 562745629 /nfs/dbraw/zinc/74/56/29/562745629.db2.gz APEKZEQPEXYFDS-QGZVFWFLSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1c(NCC[NH+]2CCCC2)cc(C(=O)Nc2ccccc2)cc1N1CCN(c2[nH+]cnc3[n-]nc(Br)c32)CC1 ZINC000084633072 562745680 /nfs/dbraw/zinc/74/56/80/562745680.db2.gz CSWJHPQUGVGBIV-UHFFFAOYSA-N 1 1 604.557 4.510 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084633503 562745731 /nfs/dbraw/zinc/74/57/31/562745731.db2.gz MKPGJKRDMWXJIV-KRWDZBQOSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084633503 562745730 /nfs/dbraw/zinc/74/57/30/562745730.db2.gz MKPGJKRDMWXJIV-KRWDZBQOSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084633505 562745751 /nfs/dbraw/zinc/74/57/51/562745751.db2.gz MKPGJKRDMWXJIV-QGZVFWFLSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084633505 562745750 /nfs/dbraw/zinc/74/57/50/562745750.db2.gz MKPGJKRDMWXJIV-QGZVFWFLSA-N 1 1 560.663 4.506 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084634994 562746047 /nfs/dbraw/zinc/74/60/47/562746047.db2.gz ZWGGSMUWSPJJIU-NRFANRHFSA-N 1 1 598.781 4.716 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084634994 562746046 /nfs/dbraw/zinc/74/60/46/562746046.db2.gz ZWGGSMUWSPJJIU-NRFANRHFSA-N 1 1 598.781 4.716 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084634996 562746062 /nfs/dbraw/zinc/74/60/62/562746062.db2.gz ZWGGSMUWSPJJIU-OAQYLSRUSA-N 1 1 598.781 4.716 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084634996 562746061 /nfs/dbraw/zinc/74/60/61/562746061.db2.gz ZWGGSMUWSPJJIU-OAQYLSRUSA-N 1 1 598.781 4.716 1 0 KJAFMO COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(C[N@H+]6CCC[C@H](C)C6)ns5)nc(C)cn34)cn2)c1 ZINC000084634999 562746026 /nfs/dbraw/zinc/74/60/26/562746026.db2.gz GANVFRXETVPEAB-FQEVSTJZSA-N 1 1 585.738 4.658 1 0 KJAFMO COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(C[N@@H+]6CCC[C@H](C)C6)ns5)nc(C)cn34)cn2)c1 ZINC000084634999 562746025 /nfs/dbraw/zinc/74/60/25/562746025.db2.gz GANVFRXETVPEAB-FQEVSTJZSA-N 1 1 585.738 4.658 1 0 KJAFMO COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(C[N@H+]6CCC[C@@H](C)C6)ns5)nc(C)cn34)cn2)c1 ZINC000084635001 562746022 /nfs/dbraw/zinc/74/60/22/562746022.db2.gz GANVFRXETVPEAB-HXUWFJFHSA-N 1 1 585.738 4.658 1 0 KJAFMO COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(C[N@@H+]6CCC[C@@H](C)C6)ns5)nc(C)cn34)cn2)c1 ZINC000084635001 562746021 /nfs/dbraw/zinc/74/60/21/562746021.db2.gz GANVFRXETVPEAB-HXUWFJFHSA-N 1 1 585.738 4.658 1 0 KJAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(OC(F)F)cc3)N12 ZINC000084635127 562746087 /nfs/dbraw/zinc/74/60/87/562746087.db2.gz QJPCIAYQCCGVRI-UWBJMHDUSA-N 1 1 556.613 4.729 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084635987 562746284 /nfs/dbraw/zinc/74/62/84/562746284.db2.gz DUDRYIOTGNVUFB-FQEVSTJZSA-N 1 1 555.712 4.650 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084635987 562746283 /nfs/dbraw/zinc/74/62/83/562746283.db2.gz DUDRYIOTGNVUFB-FQEVSTJZSA-N 1 1 555.712 4.650 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084635989 562746249 /nfs/dbraw/zinc/74/62/49/562746249.db2.gz DUDRYIOTGNVUFB-HXUWFJFHSA-N 1 1 555.712 4.650 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084635989 562746248 /nfs/dbraw/zinc/74/62/48/562746248.db2.gz DUDRYIOTGNVUFB-HXUWFJFHSA-N 1 1 555.712 4.650 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084635991 562746276 /nfs/dbraw/zinc/74/62/76/562746276.db2.gz JJOKOLOYQZIVJV-IBGZPJMESA-N 1 1 541.685 4.972 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084635991 562746275 /nfs/dbraw/zinc/74/62/75/562746275.db2.gz JJOKOLOYQZIVJV-IBGZPJMESA-N 1 1 541.685 4.972 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084635993 562746256 /nfs/dbraw/zinc/74/62/56/562746256.db2.gz JJOKOLOYQZIVJV-LJQANCHMSA-N 1 1 541.685 4.972 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084635993 562746255 /nfs/dbraw/zinc/74/62/55/562746255.db2.gz JJOKOLOYQZIVJV-LJQANCHMSA-N 1 1 541.685 4.972 1 0 KJAFMO Cc1cn2c(-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 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530.669 4.612 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571183 562768828 /nfs/dbraw/zinc/76/88/28/562768828.db2.gz DGVXOYJWIGFWKL-RHGYRFJNSA-N 1 1 548.606 4.911 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095571205 562768874 /nfs/dbraw/zinc/76/88/74/562768874.db2.gz BIDQRLDEPABFFH-DVIHYUSWSA-N 1 1 671.820 4.674 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095571205 562768873 /nfs/dbraw/zinc/76/88/73/562768873.db2.gz BIDQRLDEPABFFH-DVIHYUSWSA-N 1 1 671.820 4.674 1 0 KJAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095571261 562768881 /nfs/dbraw/zinc/76/88/81/562768881.db2.gz WSOKVHLNEBQLTR-IGHHUVOLSA-N 1 1 699.874 4.911 1 0 KJAFMO 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ZINC000095594958 562776584 /nfs/dbraw/zinc/77/65/84/562776584.db2.gz RQKNVXDUXUNJOZ-UDMDOTTKSA-N 1 1 754.969 4.673 1 0 KJAFMO CC[C@]1(O)C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CCC[C@@](CC)(C[C@]1(O)C(=O)OC)[C@H]34)C2 ZINC000095594958 562776583 /nfs/dbraw/zinc/77/65/83/562776583.db2.gz RQKNVXDUXUNJOZ-UDMDOTTKSA-N 1 1 754.969 4.673 1 0 KJAFMO CC[C@]12C=CCN3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000095595549 562776733 /nfs/dbraw/zinc/77/67/33/562776733.db2.gz DSISYKFNZBAGNU-JVHYHWFUSA-N 1 1 766.980 4.839 1 0 KJAFMO CC[C@]12C=CCN3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000095595549 562776732 /nfs/dbraw/zinc/77/67/32/562776732.db2.gz DSISYKFNZBAGNU-JVHYHWFUSA-N 1 1 766.980 4.839 1 0 KJAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH+]4CCN(C)CC4)c(C)c3oc2=O)ccc1O ZINC000095595894 562776853 /nfs/dbraw/zinc/77/68/53/562776853.db2.gz GNXJXJTYQJGURK-UHFFFAOYSA-N 1 1 519.642 4.584 1 0 KJAFMO C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2C(F)(F)F)CC[NH2+]1 ZINC000095598491 562777453 /nfs/dbraw/zinc/77/74/53/562777453.db2.gz IHSRDRQVXGIMBU-INIZCTEOSA-N 1 1 508.541 4.501 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095598744 562777501 /nfs/dbraw/zinc/77/75/01/562777501.db2.gz XYAADFDZSRWQSJ-XFBASLRHSA-N 1 1 689.810 4.813 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095598761 562777491 /nfs/dbraw/zinc/77/74/91/562777491.db2.gz YELAEPJECDEDIZ-KERYWQKISA-N 1 1 592.202 4.802 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2cccnc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095598942 562777684 /nfs/dbraw/zinc/77/76/84/562777684.db2.gz RPGWXCDGQSLPTH-CTWZREHQSA-N 1 1 526.681 4.730 1 0 KJAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2cccc(F)c2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O ZINC000095598989 562777662 /nfs/dbraw/zinc/77/76/62/562777662.db2.gz YLUIFZNBWDKEKC-OSOCVKALSA-N 1 1 530.637 4.532 1 0 KJAFMO O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)C[N@@H+]2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095599087 562777774 /nfs/dbraw/zinc/77/77/74/562777774.db2.gz HJQSQTAMFLANGO-JMSBNOGBSA-N 1 1 542.676 4.563 1 0 KJAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095599173 562777842 /nfs/dbraw/zinc/77/78/42/562777842.db2.gz LPENXMLNSACZIG-PFPZSTESSA-N 1 1 552.716 4.502 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095599174 562777795 /nfs/dbraw/zinc/77/77/95/562777795.db2.gz ASXOPKJUZOYWLJ-CGQTXMLISA-N 1 1 637.696 4.926 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095599193 562777807 /nfs/dbraw/zinc/77/78/07/562777807.db2.gz GEOCHRKREBIDMG-DKGMKSHISA-N 1 1 619.706 4.787 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599235 562777860 /nfs/dbraw/zinc/77/78/60/562777860.db2.gz PWZJYMSMMRWUND-RDXDNIQESA-N 1 1 671.820 4.674 1 0 KJAFMO COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)C[N@H+](CCc2ccccc2)[C@@H](C)CO3)c1 ZINC000095599298 562777966 /nfs/dbraw/zinc/77/79/66/562777966.db2.gz OXAYHDRNXZXDOZ-MKGJDZFWSA-N 1 1 559.707 4.996 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095599447 562778050 /nfs/dbraw/zinc/77/80/50/562778050.db2.gz RFZFPTSDEPYSRK-DGIFUFQNSA-N 1 1 580.726 4.720 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095599509 562778101 /nfs/dbraw/zinc/77/81/01/562778101.db2.gz HSZCUBFTTZDVGX-ZENTWMBTSA-N 1 1 548.511 4.623 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095599537 562778153 /nfs/dbraw/zinc/77/81/53/562778153.db2.gz VPBPSAFWKPFOOJ-JOUUIMRQSA-N 1 1 555.719 4.983 1 0 KJAFMO O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)C[N@@H+]2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1 ZINC000095599817 562778381 /nfs/dbraw/zinc/77/83/81/562778381.db2.gz HJQSQTAMFLANGO-ZKKLFSJWSA-N 1 1 542.676 4.563 1 0 KJAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599851 562778384 /nfs/dbraw/zinc/77/83/84/562778384.db2.gz ZBPKQJKPBAJGFS-HIRWGAFWSA-N 1 1 623.669 4.997 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095599925 562778450 /nfs/dbraw/zinc/77/84/50/562778450.db2.gz NUNMIMCKNUQLOZ-VHSZZVNMSA-N 1 1 507.675 4.558 1 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095600049 562778561 /nfs/dbraw/zinc/77/85/61/562778561.db2.gz RFZFPTSDEPYSRK-IABYTQIASA-N 1 1 580.726 4.720 1 0 KJAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095600091 562778663 /nfs/dbraw/zinc/77/86/63/562778663.db2.gz RFZFPTSDEPYSRK-MWXNICTNSA-N 1 1 580.726 4.720 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095600266 562778775 /nfs/dbraw/zinc/77/87/75/562778775.db2.gz BIDQRLDEPABFFH-RNDKRWLGSA-N 1 1 671.820 4.674 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095600266 562778774 /nfs/dbraw/zinc/77/87/74/562778774.db2.gz BIDQRLDEPABFFH-RNDKRWLGSA-N 1 1 671.820 4.674 1 0 KJAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095600298 562778782 /nfs/dbraw/zinc/77/87/82/562778782.db2.gz AGVDCEUXSGPQDC-USUMGCFOSA-N 1 1 685.847 4.982 1 0 KJAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095600310 562778786 /nfs/dbraw/zinc/77/87/86/562778786.db2.gz MMCQQUXWRQHPLM-IABYTQIASA-N 1 1 649.732 4.796 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095600501 562778965 /nfs/dbraw/zinc/77/89/65/562778965.db2.gz WUYLIDMJOKHVPK-CGQTXMLISA-N 1 1 566.699 4.792 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095600509 562778990 /nfs/dbraw/zinc/77/89/90/562778990.db2.gz SPNWIHHPPMUGLU-HNPLUWAHSA-N 1 1 585.532 4.922 1 0 KJAFMO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)CC1CCCCC1)O2 ZINC000095600554 562779015 /nfs/dbraw/zinc/77/90/15/562779015.db2.gz GCOOUUHDYUHFBZ-DGUDUIIESA-N 1 1 541.693 4.668 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095600568 562779038 /nfs/dbraw/zinc/77/90/38/562779038.db2.gz AWGLQKUPOBUMJU-KECSPFHLSA-N 1 1 689.810 4.813 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095600568 562779037 /nfs/dbraw/zinc/77/90/37/562779037.db2.gz AWGLQKUPOBUMJU-KECSPFHLSA-N 1 1 689.810 4.813 1 0 KJAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095600748 562779207 /nfs/dbraw/zinc/77/92/07/562779207.db2.gz BIDQRLDEPABFFH-UTKFAANNSA-N 1 1 671.820 4.674 1 0 KJAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095600748 562779206 /nfs/dbraw/zinc/77/92/06/562779206.db2.gz BIDQRLDEPABFFH-UTKFAANNSA-N 1 1 671.820 4.674 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095600826 562779280 /nfs/dbraw/zinc/77/92/80/562779280.db2.gz VPBPSAFWKPFOOJ-FXZPAHAQSA-N 1 1 555.719 4.983 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095600911 562779319 /nfs/dbraw/zinc/77/93/19/562779319.db2.gz HMSDZHIDDSXPTP-VHSZZVNMSA-N 1 1 513.723 4.938 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095600925 562779309 /nfs/dbraw/zinc/77/93/09/562779309.db2.gz FEYBLBFDAMWCAP-IOKPGSKQSA-N 1 1 623.669 4.997 1 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095600925 562779308 /nfs/dbraw/zinc/77/93/08/562779308.db2.gz FEYBLBFDAMWCAP-IOKPGSKQSA-N 1 1 623.669 4.997 1 0 KJAFMO COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@H]3CCC[N@H+]3C)c2)cc1OC ZINC000095601228 562779485 /nfs/dbraw/zinc/77/94/85/562779485.db2.gz JMQNCCWMPGDMET-CQSZACIVSA-N 1 1 553.397 4.759 1 0 KJAFMO COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OC[C@H]3CCC[N@@H+]3C)c2)cc1OC ZINC000095601228 562779484 /nfs/dbraw/zinc/77/94/84/562779484.db2.gz 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COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(C(=O)N5CC[NH+](C)CC5)cc4)nc3cc2C)c1 ZINC000096167750 562790510 /nfs/dbraw/zinc/79/05/10/562790510.db2.gz IOELWNQBJITVMV-UHFFFAOYSA-N 1 1 503.006 4.793 1 0 KJAFMO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N4CC[NH2+]CC4)cc3)nc12 ZINC000096167804 562790570 /nfs/dbraw/zinc/79/05/70/562790570.db2.gz DABUBPLZPBTVKU-UHFFFAOYSA-N 1 1 529.453 4.645 1 0 KJAFMO Cc1cc(-c2c(F)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)CCC[NH+]4CCCC4)cc3)nc12 ZINC000096167823 562790701 /nfs/dbraw/zinc/79/07/01/562790701.db2.gz NUVNTCMRLVOTEJ-UHFFFAOYSA-N 1 1 539.608 4.987 1 0 KJAFMO O=C1[C@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 ZINC000096169523 562790724 /nfs/dbraw/zinc/79/07/24/562790724.db2.gz TZYWCWPNWKEQCG-RFVSGWPVSA-N 1 1 503.348 4.953 1 0 KJAFMO O=C1[C@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 ZINC000096169524 562790747 /nfs/dbraw/zinc/79/07/47/562790747.db2.gz TZYWCWPNWKEQCG-XWRIVVANSA-N 1 1 503.348 4.953 1 0 KJAFMO CP(C)(=O)c1ccc(-c2cccn3nc(Nc4cccc(C5CC[NH+](CCS(C)(=O)=O)CC5)c4)nc23)cc1 ZINC000096169722 562790804 /nfs/dbraw/zinc/79/08/04/562790804.db2.gz AJVWXEDTZAOPHH-UHFFFAOYSA-N 1 1 551.653 4.612 1 0 KJAFMO COc1ccc(C(F)(F)F)cc1-c1cccc2nc(Nc3ccc4c(c3)CC[N@H+](CC(=O)N(C)C)CC4)nn21 ZINC000096169747 562790812 /nfs/dbraw/zinc/79/08/12/562790812.db2.gz PPWUHEVYHPGQSX-UHFFFAOYSA-N 1 1 538.574 4.656 1 0 KJAFMO COc1cc(C(F)(F)F)ccc1-c1cccc2nc(Nc3ccc4c(c3)CC[N@H+](CCS(C)(=O)=O)CC4)nn21 ZINC000096169748 562790847 /nfs/dbraw/zinc/79/08/47/562790847.db2.gz ZEYQFVYOGUYYTC-UHFFFAOYSA-N 1 1 559.614 4.613 1 0 KJAFMO COc1cc(C(F)(F)F)ccc1-c1cccc2nc(Nc3ccc4c(c3)CC[N@@H+](CCS(C)(=O)=O)CC4)nn21 ZINC000096169748 562790846 /nfs/dbraw/zinc/79/08/46/562790846.db2.gz ZEYQFVYOGUYYTC-UHFFFAOYSA-N 1 1 559.614 4.613 1 0 KJAFMO COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169820 562790827 /nfs/dbraw/zinc/79/08/27/562790827.db2.gz WCSBGNBUVBTZDJ-UHFFFAOYSA-N 1 1 538.574 4.656 1 0 KJAFMO COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CCS(C)(=O)=O)CC4)nc12 ZINC000096169825 562790912 /nfs/dbraw/zinc/79/09/12/562790912.db2.gz DDGZNCGMLQETFX-UHFFFAOYSA-N 1 1 559.614 4.613 1 0 KJAFMO COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CCS(C)(=O)=O)CC4)nc12 ZINC000096169825 562790911 /nfs/dbraw/zinc/79/09/11/562790911.db2.gz DDGZNCGMLQETFX-UHFFFAOYSA-N 1 1 559.614 4.613 1 0 KJAFMO COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CC(=O)N(C)C)C4)nc12 ZINC000096169841 562790866 /nfs/dbraw/zinc/79/08/66/562790866.db2.gz XAHWLEPPFDNHNZ-UHFFFAOYSA-N 1 1 524.547 4.614 1 0 KJAFMO COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CC(=O)N(C)C)C4)nc12 ZINC000096169841 562790865 /nfs/dbraw/zinc/79/08/65/562790865.db2.gz XAHWLEPPFDNHNZ-UHFFFAOYSA-N 1 1 524.547 4.614 1 0 KJAFMO CN(C)C(=O)C[N@H+]1CCc2ccc(Nc3nc4c(-c5cc(Cl)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169881 562790877 /nfs/dbraw/zinc/79/08/77/562790877.db2.gz LEIBZNRWKCLSOA-UHFFFAOYSA-N 1 1 555.029 4.926 1 0 KJAFMO O=C1Nc2ncccc2[C@@]12Cc1cc3cc(CN4C(=O)C5(CCCC5)[NH2+]C[C@H]4c4cc(F)cc(F)c4)cnc3cc1C2 ZINC000096170597 562791178 /nfs/dbraw/zinc/79/11/78/562791178.db2.gz VCQGONQFGTXLMA-IUDBTDONSA-N 1 1 565.624 4.883 1 0 KJAFMO O=C(C1CCCC1)N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174066 562791677 /nfs/dbraw/zinc/79/16/77/562791677.db2.gz IZXUNKAVQFQTOV-UHFFFAOYSA-N 1 1 505.626 4.888 1 0 KJAFMO O=C(Cc1ccccc1)N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174073 562791665 /nfs/dbraw/zinc/79/16/65/562791665.db2.gz XTQWBTSQFAQQQQ-UHFFFAOYSA-N 1 1 527.632 4.940 1 0 KJAFMO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[N@@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174204 562791787 /nfs/dbraw/zinc/79/17/87/562791787.db2.gz UKVHZKDIIKSUPY-BHVANESWSA-N 1 1 628.737 4.736 1 0 KJAFMO COc1cc(C2CC[NH+](CCS(C)(=O)=O)CC2)c(C)cc1Nc1nc2n[nH]c(C)c2c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096177930 562792489 /nfs/dbraw/zinc/79/24/89/562792489.db2.gz NZIJCOVGFRWEHQ-UHFFFAOYSA-N 1 1 655.847 4.872 1 0 KJAFMO C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258151 562792853 /nfs/dbraw/zinc/79/28/53/562792853.db2.gz QALHYNRHVGLOEL-MRXNPFEDSA-N 1 1 533.431 4.961 1 0 KJAFMO COc1ccc(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000096258657 562792957 /nfs/dbraw/zinc/79/29/57/562792957.db2.gz WQERLKAGPFFGAY-UHFFFAOYSA-N 1 1 540.624 4.644 1 0 KJAFMO CN1CC[NH+](Cc2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)Nc5cc(C(C)(C)C)on5)cc4)[nH]n3)cc2)CC1 ZINC000096270649 562793306 /nfs/dbraw/zinc/79/33/06/562793306.db2.gz DVJRDKAXQCFWKO-UHFFFAOYSA-N 1 1 570.698 4.684 1 0 KJAFMO Cc1cc(=O)oc2cc(OCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271835 562793915 /nfs/dbraw/zinc/79/39/15/562793915.db2.gz ZICKHCKGQJNYPU-UHFFFAOYSA-N 1 1 540.664 4.554 1 0 KJAFMO Cc1ccc2c(ccc3c2O[C@@H](C[NH+]2CCN(c4ccc5cc(OC(F)(F)F)ccc5n4)CC2)CO3)n1 ZINC000096307644 562796443 /nfs/dbraw/zinc/79/64/43/562796443.db2.gz JCOKUVBCQJZMLT-FQEVSTJZSA-N 1 1 510.516 4.952 1 0 KJAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1cc(-c2ccccc2)cs1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000096891828 562796683 /nfs/dbraw/zinc/79/66/83/562796683.db2.gz UASPTBCYXXUKNJ-ITSNWGLTSA-N 1 1 752.982 4.821 1 0 KJAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000096900916 562796985 /nfs/dbraw/zinc/79/69/85/562796985.db2.gz PFNXFAJRJKWEML-ZWKOTPCHSA-N 1 1 519.425 4.841 1 0 KJAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000096900917 562796981 /nfs/dbraw/zinc/79/69/81/562796981.db2.gz PFNXFAJRJKWEML-ROUUACIJSA-N 1 1 519.425 4.841 1 0 KJAFMO CCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000096903404 562797956 /nfs/dbraw/zinc/79/79/56/562797956.db2.gz ISLPOODMKBFJHI-GDLZYMKVSA-N 1 1 581.201 4.764 1 0 KJAFMO COc1cc(C(=O)N[C@H](C[N@H+]2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1ccccc1O ZINC000096909589 562799668 /nfs/dbraw/zinc/79/96/68/562799668.db2.gz WQTYCGVKBXGWFQ-SQJMNOBHSA-N 1 1 519.642 4.864 1 0 KJAFMO CC(=O)O[C@@H](C(=O)OCCNc1cc[nH+]c2cc(Cl)ccc12)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000096914885 562800889 /nfs/dbraw/zinc/80/08/89/562800889.db2.gz XOWMYCMBYMZUCH-RRPNLBNLSA-N 1 1 531.996 4.946 1 0 KJAFMO O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1 ZINC000096914886 562800908 /nfs/dbraw/zinc/80/09/08/562800908.db2.gz FLNRLXKRYFJZJQ-IZZNHLLZSA-N 1 1 503.986 4.766 1 0 KJAFMO COc1ccc([C@@H](NCCCNc2cc[nH+]c3cc(Cl)ccc23)c2nnnn2C(C)(C)C)cc1OC ZINC000096915638 562800989 /nfs/dbraw/zinc/80/09/89/562800989.db2.gz HTERIXKVQSVTRV-XMMPIXPASA-N 1 1 510.042 4.828 1 0 KJAFMO COc1ccc([C@H](NCCCNc2cc[nH+]c3cc(Cl)ccc23)c2nnnn2C(C)(C)C)cc1OC ZINC000096915639 562801000 /nfs/dbraw/zinc/80/10/00/562801000.db2.gz HTERIXKVQSVTRV-DEOSSOPVSA-N 1 1 510.042 4.828 1 0 KJAFMO COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000096921643 562801486 /nfs/dbraw/zinc/80/14/86/562801486.db2.gz UPBUXSLPEWKLAQ-UHFFFAOYSA-N 1 1 501.990 4.542 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(OS(=O)(=O)c3ccc(OC)cc3)cc2C1 ZINC000096923587 562802139 /nfs/dbraw/zinc/80/21/39/562802139.db2.gz ORCOYEPVULXWLK-GDLZYMKVSA-N 1 1 563.764 4.854 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(OC)cc2)C1 ZINC000096923589 562802141 /nfs/dbraw/zinc/80/21/41/562802141.db2.gz GZGWAKWNOGWXBF-NDEPHWFRSA-N 1 1 563.764 4.854 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1 ZINC000096923590 562802127 /nfs/dbraw/zinc/80/21/27/562802127.db2.gz NFQNUWPIIZWIKT-SSEXGKCCSA-N 1 1 562.780 4.888 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C1 ZINC000096923591 562802152 /nfs/dbraw/zinc/80/21/52/562802152.db2.gz NFQNUWPIIZWIKT-PMERELPUSA-N 1 1 562.780 4.888 1 0 KJAFMO CCOc1cc(N)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000096928314 562802849 /nfs/dbraw/zinc/80/28/49/562802849.db2.gz HFTFYAGYZBMDAL-UHFFFAOYSA-N 1 1 540.039 4.712 1 0 KJAFMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C(=O)Nc1nccc(-c2cccc(F)c2)n1 ZINC000096928322 562802910 /nfs/dbraw/zinc/80/29/10/562802910.db2.gz TUHOZCYXPAPEME-UHFFFAOYSA-N 1 1 538.627 4.843 1 0 KJAFMO CN1CCN(CC[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938535 562804503 /nfs/dbraw/zinc/80/45/03/562804503.db2.gz RZRAHJSXUFTNNN-UHFFFAOYSA-N 1 1 527.513 4.794 1 0 KJAFMO CN1CCN(CC[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938536 562804517 /nfs/dbraw/zinc/80/45/17/562804517.db2.gz UQPZQFVCIRZJML-UHFFFAOYSA-N 1 1 511.514 4.914 1 0 KJAFMO CN1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)C[NH+]5CCCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938706 562804533 /nfs/dbraw/zinc/80/45/33/562804533.db2.gz KCQSFNDLWOJIJZ-NTCAYCPXSA-N 1 1 580.708 4.871 1 0 KJAFMO O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2ccccn2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939399 562804782 /nfs/dbraw/zinc/80/47/82/562804782.db2.gz VJRZNZLFHHEYSC-JOCHJYFZSA-N 1 1 508.953 4.897 1 0 KJAFMO O=C1C(CC(F)(F)F)=C[C@](O)(CSc2ccccn2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939400 562804760 /nfs/dbraw/zinc/80/47/60/562804760.db2.gz VJRZNZLFHHEYSC-QFIPXVFZSA-N 1 1 508.953 4.897 1 0 KJAFMO O=C1C(CC(F)(F)F)=C[C@](O)(CSc2ccncc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939401 562804731 /nfs/dbraw/zinc/80/47/31/562804731.db2.gz TYEKWYPEWYDAMY-QFIPXVFZSA-N 1 1 508.953 4.897 1 0 KJAFMO O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2ccncc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939402 562804734 /nfs/dbraw/zinc/80/47/34/562804734.db2.gz TYEKWYPEWYDAMY-JOCHJYFZSA-N 1 1 508.953 4.897 1 0 KJAFMO Cc1cc2oc(=O)cc(-c3cccc(NS(C)(=O)=O)c3)c2c(C)c1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000096940134 562804845 /nfs/dbraw/zinc/80/48/45/562804845.db2.gz AJMIMQDXTBDANZ-UHFFFAOYSA-N 1 1 518.635 4.948 1 0 KJAFMO COc1ccccc1-n1c(=O)c2ccccc2nc1-c1sc(N2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000098084254 562805633 /nfs/dbraw/zinc/80/56/33/562805633.db2.gz GCABMWYGGCZDTD-UHFFFAOYSA-N 1 1 509.635 4.937 1 0 KJAFMO CN1C(=O)[C@H]2C[N@@H+](Cc3cccs3)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)[C@@H]2C1=O ZINC000100036819 562806312 /nfs/dbraw/zinc/80/63/12/562806312.db2.gz AMSYJCKYQVDRSP-OALUTQOASA-N 1 1 559.532 4.507 1 0 KJAFMO CCCCc1ncc(C=C2C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000100715786 562807250 /nfs/dbraw/zinc/80/72/50/562807250.db2.gz XEKDNMWGRDRXRS-UQQQWYQISA-N 1 1 524.629 4.814 1 0 KJAFMO CCC[N@@H+](CCCCNC(=O)c1cc(=O)oc2c1cc1c3c2CCCN3CCC1)[C@H]1COc2cccc(OC)c2C1 ZINC000100807021 562808074 /nfs/dbraw/zinc/80/80/74/562808074.db2.gz GEDMTUQQRHRNSK-HSZRJFAPSA-N 1 1 559.707 4.726 1 0 KJAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000100840142 562808179 /nfs/dbraw/zinc/80/81/79/562808179.db2.gz SKJYBEQFKWHPED-MXMKXLMGSA-N 1 1 529.725 4.520 1 0 KJAFMO Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@H]2C[C@H]3C[N@@H+](CCC(F)(F)F)C[C@H]3C2)c1 ZINC000101322154 562810301 /nfs/dbraw/zinc/81/03/01/562810301.db2.gz ZHIFBXYCMMXVQR-BCDXTJNWSA-N 1 1 504.475 4.624 1 0 KJAFMO Cc1nnc(C)n1[C@H]1C[C@H]2C[N@@H+](CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@H]2C1 ZINC000101330419 562810325 /nfs/dbraw/zinc/81/03/25/562810325.db2.gz FNBMOVWCGOAXSU-VRUIKYSZSA-N 1 1 503.613 4.990 1 0 KJAFMO COc1ccc([C@@]2(O)[C@H](C)CN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)C[C@@H]2C)cc1 ZINC000101338105 562810368 /nfs/dbraw/zinc/81/03/68/562810368.db2.gz PDICHYVEPDIMFM-XUFVMKAASA-N 1 1 500.630 4.790 1 0 KJAFMO C[NH+](C)CCN=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000101541566 562811261 /nfs/dbraw/zinc/81/12/61/562811261.db2.gz DTCGZUWLPYRQCM-PGUFJCEWSA-N 1 1 534.469 4.911 1 0 KJAFMO CCC[N@@H+](CC[C@@]1(O)CC[C@@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000101587109 562811336 /nfs/dbraw/zinc/81/13/36/562811336.db2.gz SBGUFZDXDXYRRU-MOMDTQCHSA-N 1 1 506.716 4.942 1 0 KJAFMO CCC[N@@H+](CC[C@@]1(O)CC[C@H](NC(=O)c2ccc3ccccc3c2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000101587115 562811338 /nfs/dbraw/zinc/81/13/38/562811338.db2.gz SBGUFZDXDXYRRU-NDIVSWGXSA-N 1 1 506.716 4.942 1 0 KJAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)c1ccc(Cl)cc1)C2 ZINC000101641429 562811476 /nfs/dbraw/zinc/81/14/76/562811476.db2.gz YSQWQPAAOQGODI-UEQSERJNSA-N 1 1 502.486 4.740 1 0 KJAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1Cl)C2 ZINC000101641460 562811474 /nfs/dbraw/zinc/81/14/74/562811474.db2.gz ANOXAVMRSZQMLQ-ADYITMSISA-N 1 1 508.877 4.658 1 0 KJAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1Cl)C2 ZINC000101641461 562811487 /nfs/dbraw/zinc/81/14/87/562811487.db2.gz ANOXAVMRSZQMLQ-KGSLCBSSSA-N 1 1 508.877 4.658 1 0 KJAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)c(Cl)c1)C2 ZINC000101641465 562811483 /nfs/dbraw/zinc/81/14/83/562811483.db2.gz UQQVWZZUGGLLMZ-VLVHOKLOSA-N 1 1 508.877 4.658 1 0 KJAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)c(Cl)c1)C2 ZINC000101641469 562811452 /nfs/dbraw/zinc/81/14/52/562811452.db2.gz UQQVWZZUGGLLMZ-SRYPRDQNSA-N 1 1 508.877 4.658 1 0 KJAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1Cl)C2 ZINC000101641506 562811480 /nfs/dbraw/zinc/81/14/80/562811480.db2.gz AMWCDWBVQYDHNU-XAPVIXHLSA-N 1 1 508.877 4.658 1 0 KJAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1Cl)C2 ZINC000101641511 562811489 /nfs/dbraw/zinc/81/14/89/562811489.db2.gz AMWCDWBVQYDHNU-IIZPIQPGSA-N 1 1 508.877 4.658 1 0 KJAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)C1=O ZINC000101645049 562811544 /nfs/dbraw/zinc/81/15/44/562811544.db2.gz RCNADLONQXEVAR-FCHUYYIVSA-N 1 1 500.595 4.687 1 0 KJAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)C1=O ZINC000101645057 562811501 /nfs/dbraw/zinc/81/15/01/562811501.db2.gz RCNADLONQXEVAR-VXKWHMMOSA-N 1 1 500.595 4.687 1 0 KJAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCOc3ccc4ccccc4c3)C2)C1=O ZINC000101645062 562811496 /nfs/dbraw/zinc/81/14/96/562811496.db2.gz DUDRPMCPFKGSHR-FGZHOGPDSA-N 1 1 500.595 4.687 1 0 KJAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCOc3ccc4ccccc4c3)C2)C1=O ZINC000101645067 562811537 /nfs/dbraw/zinc/81/15/37/562811537.db2.gz DUDRPMCPFKGSHR-YADHBBJMSA-N 1 1 500.595 4.687 1 0 KJAFMO COc1ccc(OCCCCC[N@H+]2CCC[C@@H](COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)C2)cc1OC ZINC000101645165 562811528 /nfs/dbraw/zinc/81/15/28/562811528.db2.gz KCQJXZQJURSHIN-DHIUTWEWSA-N 1 1 552.668 4.721 1 0 KJAFMO COc1ccc(OCCCCC[N@H+]2CCC[C@H](COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)C2)cc1OC ZINC000101645174 562811510 /nfs/dbraw/zinc/81/15/10/562811510.db2.gz KCQJXZQJURSHIN-PKTZIBPZSA-N 1 1 552.668 4.721 1 0 KJAFMO COc1cccc(OCCCCC[N@H+]2CCC[C@@H](COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)C2)c1OC ZINC000101645182 562811549 /nfs/dbraw/zinc/81/15/49/562811549.db2.gz MPGGWDXJHOKGKT-XZOQPEGZSA-N 1 1 552.668 4.721 1 0 KJAFMO COc1cccc(OCCCCC[N@H+]2CCC[C@H](COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)C2)c1OC ZINC000101645190 562811535 /nfs/dbraw/zinc/81/15/35/562811535.db2.gz MPGGWDXJHOKGKT-GOTSBHOMSA-N 1 1 552.668 4.721 1 0 KJAFMO COc1ccc(OCCCCC[N@H+]2CCC[C@@H](COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)C2)cc1 ZINC000101645552 562811581 /nfs/dbraw/zinc/81/15/81/562811581.db2.gz KNBMANAYUGTMMA-XZOQPEGZSA-N 1 1 522.642 4.713 1 0 KJAFMO COc1ccc(OCCCCC[N@H+]2CCC[C@H](COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)C2)cc1 ZINC000101645557 562811577 /nfs/dbraw/zinc/81/15/77/562811577.db2.gz KNBMANAYUGTMMA-GOTSBHOMSA-N 1 1 522.642 4.713 1 0 KJAFMO O=C(CCN1CCC[N@H+](CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696137 562811780 /nfs/dbraw/zinc/81/17/80/562811780.db2.gz JTIYVAMZTRDFTL-UHFFFAOYSA-N 1 1 626.779 4.993 1 0 KJAFMO O=C(CCN1CCC[N@@H+](CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696137 562811779 /nfs/dbraw/zinc/81/17/79/562811779.db2.gz JTIYVAMZTRDFTL-UHFFFAOYSA-N 1 1 626.779 4.993 1 0 KJAFMO O=C(CC[N@@H+]1CCCN(CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696137 562811778 /nfs/dbraw/zinc/81/17/78/562811778.db2.gz JTIYVAMZTRDFTL-UHFFFAOYSA-N 1 1 626.779 4.993 1 0 KJAFMO O=C(CN1CCC[N@H+](CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696226 562811823 /nfs/dbraw/zinc/81/18/23/562811823.db2.gz DUAKDLBXAUZOGH-UHFFFAOYSA-N 1 1 612.752 4.603 1 0 KJAFMO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696238 562811820 /nfs/dbraw/zinc/81/18/20/562811820.db2.gz SVMDJUWQZFIIFX-UHFFFAOYSA-N 1 1 612.752 4.603 1 0 KJAFMO C[NH+]1CCN(C(=O)COc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696242 562811831 /nfs/dbraw/zinc/81/18/31/562811831.db2.gz WIOYCLNFFLSEMA-UHFFFAOYSA-N 1 1 569.683 4.817 1 0 KJAFMO NCC[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696281 562811864 /nfs/dbraw/zinc/81/18/64/562811864.db2.gz XJANAPFCTQMOPO-UHFFFAOYSA-N 1 1 542.661 4.541 1 0 KJAFMO COCC[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696513 562811966 /nfs/dbraw/zinc/81/19/66/562811966.db2.gz QVKAQYRPHCYXHC-UHFFFAOYSA-N 1 1 612.752 4.867 1 0 KJAFMO C[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696554 562811970 /nfs/dbraw/zinc/81/19/70/562811970.db2.gz DYJWAINZWLNTNQ-UHFFFAOYSA-N 1 1 568.699 4.850 1 0 KJAFMO O=c1c(=O)c(NCCNc2cc[nH+]c3cc(Cl)ccc23)c1NCCNc1ccnc2cc(Cl)ccc21 ZINC000101702650 562811999 /nfs/dbraw/zinc/81/19/99/562811999.db2.gz CUGRVLOBVZKQTL-UHFFFAOYSA-N 1 1 521.408 4.734 1 0 KJAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CC[N@@H+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101761607 562812102 /nfs/dbraw/zinc/81/21/02/562812102.db2.gz BNYAQKKSDCNZOB-LGKQTMLJSA-N 1 1 539.724 4.963 1 0 KJAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CC[N@H+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101761607 562812101 /nfs/dbraw/zinc/81/21/01/562812101.db2.gz BNYAQKKSDCNZOB-LGKQTMLJSA-N 1 1 539.724 4.963 1 0 KJAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN(C)CCc2c[nH]c3ccccc23)c1=O ZINC000101761607 562812100 /nfs/dbraw/zinc/81/21/00/562812100.db2.gz BNYAQKKSDCNZOB-LGKQTMLJSA-N 1 1 539.724 4.963 1 0 KJAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN2CCN(c3ccccc3)CC2)c1=O ZINC000101794495 562812140 /nfs/dbraw/zinc/81/21/40/562812140.db2.gz YELQSMXPCPMVON-RHKQRFKBSA-N 1 1 541.740 4.520 1 0 KJAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCCN2CCOCC2)c1=O ZINC000101809327 562812163 /nfs/dbraw/zinc/81/21/63/562812163.db2.gz BLFYXJBXIJKCKD-LGKQTMLJSA-N 1 1 522.734 4.590 1 0 KJAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCCN2CCOCC2)c1=O ZINC000101809327 562812162 /nfs/dbraw/zinc/81/21/62/562812162.db2.gz BLFYXJBXIJKCKD-LGKQTMLJSA-N 1 1 522.734 4.590 1 0 KJAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCC[NH+]2CCOCC2)c1=O ZINC000101809327 562812161 /nfs/dbraw/zinc/81/21/61/562812161.db2.gz BLFYXJBXIJKCKD-LGKQTMLJSA-N 1 1 522.734 4.590 1 0 KJAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCN2C(=O)c3ccccc3C2=O)c1=O ZINC000101819015 562812238 /nfs/dbraw/zinc/81/22/38/562812238.db2.gz JXIQZHRZIOGMKY-QEIWAGNOSA-N 1 1 554.691 4.774 1 0 KJAFMO Cc1nnc(C)n1[C@@H]1C[C@H]2C[N@@H+](CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@H]2C1 ZINC000102029688 562812601 /nfs/dbraw/zinc/81/26/01/562812601.db2.gz FNBMOVWCGOAXSU-AICRDVKUSA-N 1 1 503.613 4.990 1 0 KJAFMO CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CN(C(=O)OC(C)C)CC3)C2)c1ccccc1 ZINC000102809025 562813321 /nfs/dbraw/zinc/81/33/21/562813321.db2.gz PFYVMDZHMCKVLF-QUMGSSFMSA-N 1 1 507.679 4.530 1 0 KJAFMO O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000103166683 562814631 /nfs/dbraw/zinc/81/46/31/562814631.db2.gz HXRWZCOJVWPGOG-HSZRJFAPSA-N 1 1 553.888 4.663 1 0 KJAFMO O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000103166686 562814627 /nfs/dbraw/zinc/81/46/27/562814627.db2.gz HXRWZCOJVWPGOG-QHCPKHFHSA-N 1 1 553.888 4.663 1 0 KJAFMO Brc1ccc(-c2nnc(SCCC[NH+]3CCN(c4nc5ccccc5o4)CC3)o2)cc1 ZINC000103200163 562816041 /nfs/dbraw/zinc/81/60/41/562816041.db2.gz NFLDZQKVYDYMSO-UHFFFAOYSA-N 1 1 500.422 4.945 1 0 KJAFMO CC[NH+]1CCN(c2nc(Oc3cccc4cccnc43)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)CC1 ZINC000103216505 562817128 /nfs/dbraw/zinc/81/71/28/562817128.db2.gz HPYIRSBFJQGNTK-UHFFFAOYSA-N 1 1 580.630 4.662 1 0 KJAFMO Cc1cc(S(=O)(=O)NC(=[NH2+])NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224420 562817539 /nfs/dbraw/zinc/81/75/39/562817539.db2.gz JWZXMNMNQPNTAV-UHFFFAOYSA-N 1 1 607.101 4.610 1 0 KJAFMO Cc1cc(S(=O)(=O)NC(=[NH2+])NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224438 562817529 /nfs/dbraw/zinc/81/75/29/562817529.db2.gz IRKHSVUCBDBFTJ-UHFFFAOYSA-N 1 1 607.101 4.610 1 0 KJAFMO Cc1cc(S(=O)(=O)NC(=[NH2+])NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc32)cc1Cl ZINC000103224456 562817589 /nfs/dbraw/zinc/81/75/89/562817589.db2.gz YUCOUDJYURWQGQ-UHFFFAOYSA-N 1 1 589.164 4.744 1 0 KJAFMO NC(=O)c1ccc([C@@]2(C(N)=O)C[C@H]3CC[C@@H](C2)[N@@H+]3C(c2ccccc2Cl)c2ccccc2Cl)nc1 ZINC000103225811 562817766 /nfs/dbraw/zinc/81/77/66/562817766.db2.gz ICMCDZNDWXJNGE-SCDHDWPVSA-N 1 1 509.437 4.627 1 0 KJAFMO O=C(OCCF)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)[N@H+]2C/C=C/I ZINC000103227944 562817961 /nfs/dbraw/zinc/81/79/61/562817961.db2.gz CJJUYQAVCJRKRK-KOSPPIAVSA-N 1 1 569.196 4.689 1 0 KJAFMO C[NH+](C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2nc[nH]c2cc1F ZINC000103229651 562818062 /nfs/dbraw/zinc/81/80/62/562818062.db2.gz VZILEKYEAUMIJT-UHFFFAOYSA-N 1 1 531.519 4.664 1 0 KJAFMO Cc1cc2[nH]ncc2cc1Cn1c2cc(F)c3ccoc3c2c(-c2ccc[nH]c2=O)c1C(=O)OCC[NH+](C)C ZINC000103230379 562818192 /nfs/dbraw/zinc/81/81/92/562818192.db2.gz PDXFDTJIHXYFQG-UHFFFAOYSA-N 1 1 527.556 4.833 1 0 KJAFMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2c1)c1cccnc1C(=O)N1CCCCC1 ZINC000103231431 562818298 /nfs/dbraw/zinc/81/82/98/562818298.db2.gz ZEQMOAYYXNSJIC-PBROBROCSA-N 1 1 500.618 4.925 1 0 KJAFMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(CCF)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000103231985 562818307 /nfs/dbraw/zinc/81/83/07/562818307.db2.gz IJJBQXDUBAQHKQ-UHFFFAOYSA-N 1 1 525.632 4.930 1 0 KJAFMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2c1)c1ccncc1C(=O)N1CCCCC1 ZINC000103232141 562818322 /nfs/dbraw/zinc/81/83/22/562818322.db2.gz VMQJKUPIPIPSNI-PBROBROCSA-N 1 1 500.618 4.925 1 0 KJAFMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2c1)c1cnccc1C(=O)N1CCCCC1 ZINC000103232145 562818350 /nfs/dbraw/zinc/81/83/50/562818350.db2.gz QVTRULHJJDTVLZ-PBROBROCSA-N 1 1 500.618 4.925 1 0 KJAFMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2c1)c1ncccc1C(=O)N1CCCCC1 ZINC000103233202 562818471 /nfs/dbraw/zinc/81/84/71/562818471.db2.gz ROQSRBMFNOPNJL-PBROBROCSA-N 1 1 500.618 4.925 1 0 KJAFMO CC(C)(C(=O)N[C@H](C(=O)NCCC[NH+]1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103235191 562818641 /nfs/dbraw/zinc/81/86/41/562818641.db2.gz FHXFWIZTTDFYNU-QFIPXVFZSA-N 1 1 559.551 4.698 1 0 KJAFMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 ZINC000103236311 562818841 /nfs/dbraw/zinc/81/88/41/562818841.db2.gz FCUYFFNCMDJQQQ-XFBYRDQZSA-N 1 1 560.098 4.548 1 0 KJAFMO O=C(NCCCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 ZINC000103236314 562818864 /nfs/dbraw/zinc/81/88/64/562818864.db2.gz ZAIMJQZUOSLZTI-ZHDDGHJISA-N 1 1 574.125 4.938 1 0 KJAFMO Cc1ccc(N2C(=O)[C@@H](NC(=O)C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)[C@H]2/C=C/c2ccccc2)cc1 ZINC000103236323 562818849 /nfs/dbraw/zinc/81/88/49/562818849.db2.gz CBQKEDIYAQWGLE-OMJCOREQSA-N 1 1 568.077 4.728 1 0 KJAFMO CCN(CC)c1ccc2cc(C(=O)NCCCn3nc(C(=O)N[C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)c4ccccc43)c(=O)oc2c1 ZINC000103238121 562819145 /nfs/dbraw/zinc/81/91/45/562819145.db2.gz JCHBKINXCIYGSB-MPIKPJSNSA-N 1 1 598.748 4.554 1 0 KJAFMO CCN(CC)c1ccc2cc(C(=O)NCCCCn3nc(C(=O)N[C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)c4ccccc43)c(=O)oc2c1 ZINC000103238123 562819137 /nfs/dbraw/zinc/81/91/37/562819137.db2.gz WEDXHKBFMNCGFH-PBROBROCSA-N 1 1 612.775 4.944 1 0 KJAFMO COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(C[NH+]2CCN(c3cc4ccccc4cn3)CC2)c2ccccc21 ZINC000103245330 562819766 /nfs/dbraw/zinc/81/97/66/562819766.db2.gz CUWWWGVFAXQTBT-VMPREFPWSA-N 1 1 524.665 4.752 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000103253128 562820473 /nfs/dbraw/zinc/82/04/73/562820473.db2.gz DUVNCSZVWYCEFO-VWLOTQADSA-N 1 1 505.732 4.792 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccc(-c3ccc(OC)cc3)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000103253130 562820460 /nfs/dbraw/zinc/82/04/60/562820460.db2.gz OKFIFOVPJGPEJD-RUZDIDTESA-N 1 1 505.732 4.792 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccc(-c3ccc(OC)cc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000103253133 562820498 /nfs/dbraw/zinc/82/04/98/562820498.db2.gz OKFIFOVPJGPEJD-VWLOTQADSA-N 1 1 505.732 4.792 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccc(-c3cccc(OC)c3)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000103253135 562820485 /nfs/dbraw/zinc/82/04/85/562820485.db2.gz DUVNCSZVWYCEFO-RUZDIDTESA-N 1 1 505.732 4.792 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccc(-c3ccccc3OC)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000103253139 562820494 /nfs/dbraw/zinc/82/04/94/562820494.db2.gz ROUVHHDFGPIGDV-XMMPIXPASA-N 1 1 505.732 4.792 1 0 KJAFMO CCC[N@@H+](CCN1CCN(c2ccc(-c3ccccc3OC)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000103253141 562820480 /nfs/dbraw/zinc/82/04/80/562820480.db2.gz ROUVHHDFGPIGDV-DEOSSOPVSA-N 1 1 505.732 4.792 1 0 KJAFMO CCNc1nnc(-c2cnc(N3C[C@H](CC)[N@H+](C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(C)n2)o1 ZINC000103266235 562822266 /nfs/dbraw/zinc/82/22/66/562822266.db2.gz MDHIGNOFHUSPMA-GCJKJVERSA-N 1 1 553.111 4.514 1 0 KJAFMO Nc1ccc(S(=O)(=O)N(CCN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccs2)cc1 ZINC000103273228 562823116 /nfs/dbraw/zinc/82/31/16/562823116.db2.gz OOSVBLUGODRHDA-HHHXNRCGSA-N 1 1 568.168 4.981 1 0 KJAFMO Nc1ccc(S(=O)(=O)N(CCN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2ccc(Cl)nn2)cc1 ZINC000103275075 562823143 /nfs/dbraw/zinc/82/31/43/562823143.db2.gz DIQIVAYYTZYLJN-GDLZYMKVSA-N 1 1 597.572 4.968 1 0 KJAFMO CC(C)(C)c1ccc(-c2ncc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C(=O)NCc3ccccc3)[nH]2)cc1 ZINC000103298033 562824698 /nfs/dbraw/zinc/82/46/98/562824698.db2.gz ZUSWYIUHWMSXCN-JDXGNMNLSA-N 1 1 562.718 4.769 1 0 KJAFMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(-c2cccc3ccccc32)[nH]1)C(=O)NCc1ccccc1 ZINC000103298037 562824731 /nfs/dbraw/zinc/82/47/31/562824731.db2.gz DQMRTPSVQNPZEU-SMCANUKXSA-N 1 1 556.670 4.625 1 0 KJAFMO COc1cc2c(cc1OCCCC[NH+]1CCN(C(=O)c3nc(-c4ccccc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000103298983 562824868 /nfs/dbraw/zinc/82/48/68/562824868.db2.gz 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ZINC000114099188 562827626 /nfs/dbraw/zinc/82/76/26/562827626.db2.gz GQZFIKHEEPTODT-HXUWFJFHSA-N 1 1 502.055 4.599 1 0 KJAFMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)cc1N ZINC000114099294 562827639 /nfs/dbraw/zinc/82/76/39/562827639.db2.gz INEKIPYGISNQMW-OAQYLSRUSA-N 1 1 502.055 4.599 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3c2ccn3C)CCO1 ZINC000114099696 562827600 /nfs/dbraw/zinc/82/76/00/562827600.db2.gz IVNZTQXCGKCINB-MHZLTWQESA-N 1 1 526.077 4.879 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3c2ccn3C)CCO1 ZINC000114099696 562827599 /nfs/dbraw/zinc/82/75/99/562827599.db2.gz IVNZTQXCGKCINB-MHZLTWQESA-N 1 1 526.077 4.879 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3c2ccn3C)CCO1 ZINC000114099698 562827597 /nfs/dbraw/zinc/82/75/97/562827597.db2.gz IVNZTQXCGKCINB-HHHXNRCGSA-N 1 1 526.077 4.879 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3c2ccn3C)CCO1 ZINC000114099698 562827596 /nfs/dbraw/zinc/82/75/96/562827596.db2.gz IVNZTQXCGKCINB-HHHXNRCGSA-N 1 1 526.077 4.879 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000114100164 562827734 /nfs/dbraw/zinc/82/77/34/562827734.db2.gz VVUZVKZRRVISEK-JOCHJYFZSA-N 1 1 515.050 4.779 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000114100612 562827689 /nfs/dbraw/zinc/82/76/89/562827689.db2.gz MMDJGANIWNFLIU-VWLOTQADSA-N 1 1 512.050 4.868 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000114100612 562827688 /nfs/dbraw/zinc/82/76/88/562827688.db2.gz MMDJGANIWNFLIU-VWLOTQADSA-N 1 1 512.050 4.868 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000114100613 562827679 /nfs/dbraw/zinc/82/76/79/562827679.db2.gz MMDJGANIWNFLIU-RUZDIDTESA-N 1 1 512.050 4.868 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000114100613 562827678 /nfs/dbraw/zinc/82/76/78/562827678.db2.gz MMDJGANIWNFLIU-RUZDIDTESA-N 1 1 512.050 4.868 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3ccn(C)c32)CCO1 ZINC000114101015 562827809 /nfs/dbraw/zinc/82/78/09/562827809.db2.gz JMCWORMNPFNOEU-SANMLTNESA-N 1 1 526.077 4.879 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3ccn(C)c32)CCO1 ZINC000114101015 562827808 /nfs/dbraw/zinc/82/78/08/562827808.db2.gz JMCWORMNPFNOEU-SANMLTNESA-N 1 1 526.077 4.879 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3ccn(C)c32)CCO1 ZINC000114101016 562827803 /nfs/dbraw/zinc/82/78/03/562827803.db2.gz JMCWORMNPFNOEU-AREMUKBSSA-N 1 1 526.077 4.879 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3ccn(C)c32)CCO1 ZINC000114101016 562827802 /nfs/dbraw/zinc/82/78/02/562827802.db2.gz JMCWORMNPFNOEU-AREMUKBSSA-N 1 1 526.077 4.879 1 0 KJAFMO COc1c(N)cccc1C[N@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114101053 562827813 /nfs/dbraw/zinc/82/78/13/562827813.db2.gz JVDXUEPTJGMQMQ-OAQYLSRUSA-N 1 1 502.055 4.599 1 0 KJAFMO C[N@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cc5ccccc5s4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000114182237 562827851 /nfs/dbraw/zinc/82/78/51/562827851.db2.gz JOALDAKWNSMEOV-NRFANRHFSA-N 1 1 528.682 4.906 1 0 KJAFMO C[N@@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cc5ccccc5s4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000114182237 562827850 /nfs/dbraw/zinc/82/78/50/562827850.db2.gz JOALDAKWNSMEOV-NRFANRHFSA-N 1 1 528.682 4.906 1 0 KJAFMO CC1(C)c2[nH]nc(NC(=O)c3cccc(F)c3F)c2CN1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000114183683 562827853 /nfs/dbraw/zinc/82/78/53/562827853.db2.gz YTDCATVZXIFGNQ-PMACEKPBSA-N 1 1 534.611 4.502 1 0 KJAFMO CC1(C)c2[nH]nc(NC(=O)c3ccc4ccccc4n3)c2CN1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000114184357 562827943 /nfs/dbraw/zinc/82/79/43/562827943.db2.gz OLNSPGVULRENNA-ZEQRLZLVSA-N 1 1 549.679 4.772 1 0 KJAFMO CC1(C)c2[nH]nc(NC(=O)c3ccccc3Cl)c2CN1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000114198876 562827929 /nfs/dbraw/zinc/82/79/29/562827929.db2.gz WMNCOCLPIGSQDC-SFTDATJTSA-N 1 1 533.076 4.877 1 0 KJAFMO CCOC(=O)c1ccc(-c2c3c(c(OC)c4c2CC[N@@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000114381721 562828175 /nfs/dbraw/zinc/82/81/75/562828175.db2.gz HCTPQDSLDNLGCJ-RPBOFIJWSA-N 1 1 561.587 4.726 1 0 KJAFMO CCOC(=O)c1ccc(-c2c3c(c(OC)c4c2CC[N@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000114381721 562828174 /nfs/dbraw/zinc/82/81/74/562828174.db2.gz HCTPQDSLDNLGCJ-RPBOFIJWSA-N 1 1 561.587 4.726 1 0 KJAFMO COc1cccc(-c2c3c(c(OC)c4c2CC[N@@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)c1 ZINC000114381723 562828223 /nfs/dbraw/zinc/82/82/23/562828223.db2.gz GMJGQGLGDHVMPI-RPWUZVMVSA-N 1 1 519.550 4.557 1 0 KJAFMO COc1cccc(-c2c3c(c(OC)c4c2CC[N@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)c1 ZINC000114381723 562828222 /nfs/dbraw/zinc/82/82/22/562828222.db2.gz GMJGQGLGDHVMPI-RPWUZVMVSA-N 1 1 519.550 4.557 1 0 KJAFMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(OC)c3c(c(-c4ccc(C)cc4)c2CC[N@@H+]1C)OCO3 ZINC000114383234 562828211 /nfs/dbraw/zinc/82/82/11/562828211.db2.gz JTHRHOZIDJQLSO-RPWUZVMVSA-N 1 1 503.551 4.857 1 0 KJAFMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(OC)c3c(c(-c4ccc(C)cc4)c2CC[N@H+]1C)OCO3 ZINC000114383234 562828210 /nfs/dbraw/zinc/82/82/10/562828210.db2.gz JTHRHOZIDJQLSO-RPWUZVMVSA-N 1 1 503.551 4.857 1 0 KJAFMO O=S(=O)(NCCCC[NH+]1CCN(c2noc3ccccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114599226 562828338 /nfs/dbraw/zinc/82/83/38/562828338.db2.gz HVNIAEADLPQYLQ-UHFFFAOYSA-N 1 1 505.065 4.577 1 0 KJAFMO Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000114599253 562828335 /nfs/dbraw/zinc/82/83/35/562828335.db2.gz OIEGDDBPBCGRNO-UHFFFAOYSA-N 1 1 518.705 4.839 1 0 KJAFMO O=S(=O)(NCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccc2cc(Cl)ccc2c1 ZINC000114599467 562828341 /nfs/dbraw/zinc/82/83/41/562828341.db2.gz HKXKURPRSDNOEE-UHFFFAOYSA-N 1 1 501.077 4.594 1 0 KJAFMO O=S(=O)(NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccc2cc(Cl)ccc2c1 ZINC000114600541 562828392 /nfs/dbraw/zinc/82/83/92/562828392.db2.gz YASIAEWQHNEVDZ-UHFFFAOYSA-N 1 1 515.104 4.984 1 0 KJAFMO NC(=[NH2+])c1ccc(Oc2cc([N-]S(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000114707230 562828429 /nfs/dbraw/zinc/82/84/29/562828429.db2.gz DWNLSMDTBSOQMH-UHFFFAOYSA-N 1 1 519.558 4.779 1 0 KJAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1 ZINC000114977772 562828548 /nfs/dbraw/zinc/82/85/48/562828548.db2.gz LCGAEBCCQAHCNV-WRENHGGMSA-N 1 1 571.747 4.764 1 0 KJAFMO CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)[nH+]cc1Br ZINC000115616782 562828997 /nfs/dbraw/zinc/82/89/97/562828997.db2.gz WQYDASORCSDVNY-UHFFFAOYSA-N 1 1 512.408 4.536 1 0 KJAFMO C[N@H+]1CCN(C(=O)N2Cc3c(Nc4nc(Cl)nc5ccsc54)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000115988792 562829175 /nfs/dbraw/zinc/82/91/75/562829175.db2.gz ZBEYISOSYNXIMK-KRWDZBQOSA-N 1 1 537.093 4.841 1 0 KJAFMO C[N@@H+]1CCN(C(=O)N2Cc3c(Nc4nc(Cl)nc5ccsc54)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000115988792 562829174 /nfs/dbraw/zinc/82/91/74/562829174.db2.gz ZBEYISOSYNXIMK-KRWDZBQOSA-N 1 1 537.093 4.841 1 0 KJAFMO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@@H+](C)C4)c(=O)n(C)n2)cccc1N1Cc2c3ccccc3sc2C1=O ZINC000116053485 562829140 /nfs/dbraw/zinc/82/91/40/562829140.db2.gz NTMSULOAXTVULJ-UHFFFAOYSA-N 1 1 537.649 4.516 1 0 KJAFMO CC[N@H+]1CCc2nc(Nc3cc(-c4cc(F)cc(N5CCn6c(cc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)ccc2C1 ZINC000116054102 562829200 /nfs/dbraw/zinc/82/92/00/562829200.db2.gz KTGMMFLAIOPELV-UHFFFAOYSA-N 1 1 610.734 4.787 1 0 KJAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc6n5CC[N@H+](C)C6)ccn43)c12 ZINC000117885123 562829973 /nfs/dbraw/zinc/82/99/73/562829973.db2.gz NZFBIERVOBGSPS-UHFFFAOYSA-N 1 1 545.651 4.559 1 0 KJAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@H+]5CC[C@@H](F)C5)ccn43)c12 ZINC000117885264 562829939 /nfs/dbraw/zinc/82/99/39/562829939.db2.gz WROWUZJYTYKDLR-OAQYLSRUSA-N 1 1 541.631 4.673 1 0 KJAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@@H+]5CC[C@@H](F)C5)ccn43)c12 ZINC000117885264 562829938 /nfs/dbraw/zinc/82/99/38/562829938.db2.gz WROWUZJYTYKDLR-OAQYLSRUSA-N 1 1 541.631 4.673 1 0 KJAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@H+]5CC[C@H](F)C5)ccn43)c12 ZINC000117885267 562829993 /nfs/dbraw/zinc/82/99/93/562829993.db2.gz WROWUZJYTYKDLR-NRFANRHFSA-N 1 1 541.631 4.673 1 0 KJAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@@H+]5CC[C@H](F)C5)ccn43)c12 ZINC000117885267 562829992 /nfs/dbraw/zinc/82/99/92/562829992.db2.gz WROWUZJYTYKDLR-NRFANRHFSA-N 1 1 541.631 4.673 1 0 KJAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5c[nH+]c(C)n5C)ccn43)c12 ZINC000117885454 562829936 /nfs/dbraw/zinc/82/99/36/562829936.db2.gz GMVHJGPRWKGHNF-UHFFFAOYSA-N 1 1 504.598 4.959 1 0 KJAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CC[N@H+]5CC[C@@H](F)C5)ccn43)c12 ZINC000117889288 562829998 /nfs/dbraw/zinc/82/99/98/562829998.db2.gz KJFYFACFBMEHGE-JOCHJYFZSA-N 1 1 525.632 4.837 1 0 KJAFMO CCc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117896546 562830015 /nfs/dbraw/zinc/83/00/15/562830015.db2.gz FYLCAOZAZWECHN-UHFFFAOYSA-N 1 1 586.766 4.753 1 0 KJAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc3ccccc31)N(C)[C@H]2c1cccc2ccccc21 ZINC000137070092 562831339 /nfs/dbraw/zinc/83/13/39/562831339.db2.gz TXMXZMZUUUNETC-LCAOSWTRSA-N 1 1 536.628 4.554 1 0 KJAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc3ccccc31)N(C)[C@@H]2c1cccc2ccccc21 ZINC000137070128 562831333 /nfs/dbraw/zinc/83/13/33/562831333.db2.gz TXMXZMZUUUNETC-FLLYCIPJSA-N 1 1 536.628 4.554 1 0 KJAFMO CCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000137084759 562831352 /nfs/dbraw/zinc/83/13/52/562831352.db2.gz DUTCXSHILPDZPT-JJZWAMKESA-N 1 1 612.900 4.981 1 0 KJAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc3ccccc3c1)N(C)[C@@H]2c1ccc2ccccc2c1 ZINC000137876388 562831583 /nfs/dbraw/zinc/83/15/83/562831583.db2.gz LYVQZPNNQFAZIO-FLLYCIPJSA-N 1 1 536.628 4.554 1 0 KJAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7n6)CC5)C[C@@]43C)[C@@H]1CCC2=O ZINC000137889516 562831614 /nfs/dbraw/zinc/83/16/14/562831614.db2.gz XPCQPZXYBZFMOG-OBLTXFSLSA-N 1 1 626.842 4.935 1 0 KJAFMO CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+]Cc1ccccn1)S(=O)(=O)c1ccc(N)cc1 ZINC000138192610 562831787 /nfs/dbraw/zinc/83/17/87/562831787.db2.gz XCANMBXWBTYOBG-TWJUONSBSA-N 1 1 631.843 4.512 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000138465968 562831934 /nfs/dbraw/zinc/83/19/34/562831934.db2.gz DQIFHEDEBGXPBE-YSGRDPCXSA-N 1 1 602.589 4.959 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000138465968 562831933 /nfs/dbraw/zinc/83/19/33/562831933.db2.gz DQIFHEDEBGXPBE-YSGRDPCXSA-N 1 1 602.589 4.959 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000138466100 562831944 /nfs/dbraw/zinc/83/19/44/562831944.db2.gz DQIFHEDEBGXPBE-BEVDRBHNSA-N 1 1 602.589 4.959 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000138466100 562831943 /nfs/dbraw/zinc/83/19/43/562831943.db2.gz DQIFHEDEBGXPBE-BEVDRBHNSA-N 1 1 602.589 4.959 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000138486078 562831916 /nfs/dbraw/zinc/83/19/16/562831916.db2.gz VSHQPEPVKWZJFZ-MRXNPFEDSA-N 1 1 604.561 4.520 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000138504368 562831969 /nfs/dbraw/zinc/83/19/69/562831969.db2.gz LCNAAQOCPPIRBP-PXDATVDWSA-N 1 1 609.127 4.753 1 0 KJAFMO CC(=O)N1CC[NH+]([C@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138960513 562832256 /nfs/dbraw/zinc/83/22/56/562832256.db2.gz AJIVJAKIEIICSU-PMERELPUSA-N 1 1 547.663 4.994 1 0 KJAFMO CC(=O)N1CC[NH+]([C@@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138960631 562832282 /nfs/dbraw/zinc/83/22/82/562832282.db2.gz AJIVJAKIEIICSU-SSEXGKCCSA-N 1 1 547.663 4.994 1 0 KJAFMO COc1cc(C(C)C)c(Oc2cnc(NC(=O)C[N@@H+](C)C3CCCCC3)nc2N)cc1I ZINC000139141141 562832390 /nfs/dbraw/zinc/83/23/90/562832390.db2.gz SHFAQDQJRZUCAO-UHFFFAOYSA-N 1 1 553.445 4.791 1 0 KJAFMO Cc1ccccc1C[N@@H+](CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)CCc1cccnc1 ZINC000139546199 562832599 /nfs/dbraw/zinc/83/25/99/562832599.db2.gz UWRHVPLUUPPQMY-UHFFFAOYSA-N 1 1 514.670 4.869 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCc3cccnc3)Cc3ccncc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139546563 562832583 /nfs/dbraw/zinc/83/25/83/562832583.db2.gz CFHAMFAFVWBLDT-UHFFFAOYSA-N 1 1 529.685 4.654 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4ccccc4c3=O)Cc3ccco3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139556748 562832608 /nfs/dbraw/zinc/83/26/08/562832608.db2.gz BORCZNYMAGQEGS-UHFFFAOYSA-N 1 1 570.690 4.921 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCc3cccnc3)Cc3ccccc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139556879 562832636 /nfs/dbraw/zinc/83/26/36/562832636.db2.gz NYSHIPDVLVFILL-UHFFFAOYSA-N 1 1 514.670 4.951 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4ccoc4c3=O)Cc3cccs3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139580456 562832653 /nfs/dbraw/zinc/83/26/53/562832653.db2.gz QEBMMPNMOSIUKC-UHFFFAOYSA-N 1 1 576.719 4.983 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4oc(C)cc4c3=O)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139580618 562832670 /nfs/dbraw/zinc/83/26/70/562832670.db2.gz JXZNZPYCKDHELV-UHFFFAOYSA-N 1 1 585.705 4.625 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4sccc4c3=O)Cc3cccnc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139580967 562832675 /nfs/dbraw/zinc/83/26/75/562832675.db2.gz CHQGILRQWLEPAK-UHFFFAOYSA-N 1 1 587.746 4.785 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4oc(C)cc4c3=O)Cc3cnccc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139592693 562832638 /nfs/dbraw/zinc/83/26/38/562832638.db2.gz DKGJAPVNCYKUEE-UHFFFAOYSA-N 1 1 599.732 4.933 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4occc4c3=O)Cc3cccnc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139592833 562832657 /nfs/dbraw/zinc/83/26/57/562832657.db2.gz HKOFDZHMCAXCDS-UHFFFAOYSA-N 1 1 585.705 4.625 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4occc4c3=O)Cc3cnccc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139592984 562832665 /nfs/dbraw/zinc/83/26/65/562832665.db2.gz ARVVRGOQCPEOLW-UHFFFAOYSA-N 1 1 585.705 4.625 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4occc4c3=O)Cc3ccc(C)nc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139601915 562832632 /nfs/dbraw/zinc/83/26/32/562832632.db2.gz AINXAXVYSCZWQG-UHFFFAOYSA-N 1 1 599.732 4.933 1 0 KJAFMO Cc1ccc(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)c(F)c1NC(=O)c1cc2ccccc2s1 ZINC000139711816 562832745 /nfs/dbraw/zinc/83/27/45/562832745.db2.gz OHZNHWDXCHGYRT-UHFFFAOYSA-N 1 1 529.601 4.737 1 0 KJAFMO Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1cc(Nc2cc3n(n2)CC[N@H+](C)C3)c(=O)[nH]n1 ZINC000139769323 562832762 /nfs/dbraw/zinc/83/27/62/562832762.db2.gz IJRFZGHNQDHMLW-UHFFFAOYSA-N 1 1 511.611 4.598 1 0 KJAFMO CCC[C@@H]1C[C@H]([N@@H+](C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O ZINC000139902666 562832836 /nfs/dbraw/zinc/83/28/36/562832836.db2.gz NIGNHDUWKZDZLS-YKBLPDKLSA-N 1 1 553.670 4.855 1 0 KJAFMO COc1ccc(S(=O)(=O)N2CCC3(CCN(c4ccc(N5CC[C@H]([N@H+]6CCC[C@@H]6C)C5)cc4C(F)(F)F)C3=O)CC2)cc1 ZINC000140533725 562833120 /nfs/dbraw/zinc/83/31/20/562833120.db2.gz NHSTXELYWXZEQB-UPVQGACJSA-N 1 1 620.738 4.985 1 0 KJAFMO Cc1ccc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C)CC3)nc12 ZINC000140566139 562833151 /nfs/dbraw/zinc/83/31/51/562833151.db2.gz ULMFVOPMJGFXPW-UHFFFAOYSA-N 1 1 616.446 4.839 1 0 KJAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[N@H+](C4CC4)CC3)nc12 ZINC000140566566 562833184 /nfs/dbraw/zinc/83/31/84/562833184.db2.gz ZYKZEGDYBZOIIO-UHFFFAOYSA-N 1 1 577.615 5.000 1 0 KJAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1=O ZINC000140589051 562833195 /nfs/dbraw/zinc/83/31/95/562833195.db2.gz GJRWEFJYANVHJM-IGKIAQTJSA-N 1 1 515.702 4.502 1 0 KJAFMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)c5ccc(F)cc5)CC4)C3=O)cc2)C1 ZINC000140604555 562833171 /nfs/dbraw/zinc/83/31/71/562833171.db2.gz BBRBEHRHMJYOKN-FIPFOOKPSA-N 1 1 518.677 4.938 1 0 KJAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(NC5CC([NH+]6CCN(C)CC6)C5)nc43)c2)cc1C(F)(F)F ZINC000140622183 562833214 /nfs/dbraw/zinc/83/32/14/562833214.db2.gz GQBIMUYICOJHRI-UHFFFAOYSA-N 1 1 621.668 4.942 1 0 KJAFMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(N3CCC4(CCN(C(=O)c5ccc(F)cc5)CC4)C3=O)cc2)CC1 ZINC000140639359 562833257 /nfs/dbraw/zinc/83/32/57/562833257.db2.gz ORMNFPDDUZBUJR-QHCPKHFHSA-N 1 1 518.677 4.938 1 0 KJAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)cc2)c1 ZINC000141661154 562833734 /nfs/dbraw/zinc/83/37/34/562833734.db2.gz NZEIULMPCIMAOK-XTEPFMGCSA-N 1 1 582.730 4.748 1 0 KJAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)c1 ZINC000141714126 562833694 /nfs/dbraw/zinc/83/36/94/562833694.db2.gz BJLMERIQVUYUGL-XTEPFMGCSA-N 1 1 582.730 4.952 1 0 KJAFMO C[N@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1CC1(O)CCC1 ZINC000141915926 562833828 /nfs/dbraw/zinc/83/38/28/562833828.db2.gz BVGSIPRPKQOJOD-IGDUMRHHSA-N 1 1 525.637 4.995 1 0 KJAFMO C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@H]2c2ccccc2)n1)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000142125544 562833985 /nfs/dbraw/zinc/83/39/85/562833985.db2.gz ABKNPJYNYABUMZ-HFZDXXHNSA-N 1 1 500.647 4.874 1 0 KJAFMO C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000142127106 562833991 /nfs/dbraw/zinc/83/39/91/562833991.db2.gz ABKNPJYNYABUMZ-LVXARBLLSA-N 1 1 500.647 4.874 1 0 KJAFMO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N(C)CC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000142237041 562834077 /nfs/dbraw/zinc/83/40/77/562834077.db2.gz GXJAXPIQTKTICI-UHFFFAOYSA-N 1 1 507.700 4.798 1 0 KJAFMO Fc1cnc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn12 ZINC000143005322 562834517 /nfs/dbraw/zinc/83/45/17/562834517.db2.gz CNHFQNWBIBKKAW-UHFFFAOYSA-N 1 1 502.557 4.982 1 0 KJAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc3ccccc3c1)N(C)[C@H]2c1ccc2ccccc2c1 ZINC000143136843 562834671 /nfs/dbraw/zinc/83/46/71/562834671.db2.gz LYVQZPNNQFAZIO-LCAOSWTRSA-N 1 1 536.628 4.554 1 0 KJAFMO C[NH+](C)CCN1CC[C@@H](CNc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143312770 562834908 /nfs/dbraw/zinc/83/49/08/562834908.db2.gz HGFSHCZDNWQVAZ-VIFPVBQESA-N 1 1 602.995 4.908 1 0 KJAFMO CN(C)CC[N@H+]1CC[C@@H](CNc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143312770 562834907 /nfs/dbraw/zinc/83/49/07/562834907.db2.gz HGFSHCZDNWQVAZ-VIFPVBQESA-N 1 1 602.995 4.908 1 0 KJAFMO C[NH+](C)CCN1CC[C@H](CNc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143312983 562834924 /nfs/dbraw/zinc/83/49/24/562834924.db2.gz HGFSHCZDNWQVAZ-SECBINFHSA-N 1 1 602.995 4.908 1 0 KJAFMO CN(C)CC[N@H+]1CC[C@H](CNc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143312983 562834923 /nfs/dbraw/zinc/83/49/23/562834923.db2.gz HGFSHCZDNWQVAZ-SECBINFHSA-N 1 1 602.995 4.908 1 0 KJAFMO CCN(c1cc(-c2ccc(C[N@H+]3C[C@H]4C[C@@H]3CO4)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000143325066 562834902 /nfs/dbraw/zinc/83/49/02/562834902.db2.gz ADCNPZQXSOGMTJ-LOYHVIPDSA-N 1 1 584.761 4.876 1 0 KJAFMO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[NH+]5CCOCC5)cc4)n[nH]c3c1)C(=O)N2 ZINC000143347650 562834964 /nfs/dbraw/zinc/83/49/64/562834964.db2.gz RMGQWXVHWUUVLJ-DSUKGUNVSA-N 1 1 506.606 4.952 1 0 KJAFMO Brc1c2nc(NCCC[NH+]3CCOCC3)[nH]c2c(Br)c(Br)c1Br ZINC000143674291 562835242 /nfs/dbraw/zinc/83/52/42/562835242.db2.gz VCJJALYNPXNJSZ-UHFFFAOYSA-N 1 1 575.925 4.747 1 0 KJAFMO C[N@H+]1Cc2cc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c5nccn5c4n3)ccc2C2(CC2)C1 ZINC000143866588 562835311 /nfs/dbraw/zinc/83/53/11/562835311.db2.gz LVWGYVOYZGMKSJ-UHFFFAOYSA-N 1 1 518.408 4.956 1 0 KJAFMO CO[C@@H](COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1)c1ccccc1 ZINC000144183878 562835805 /nfs/dbraw/zinc/83/58/05/562835805.db2.gz SGDBFNAWQUFHCV-PMERELPUSA-N 1 1 563.662 4.918 1 0 KJAFMO CO[C@H](COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1)c1ccccc1 ZINC000144184074 562835822 /nfs/dbraw/zinc/83/58/22/562835822.db2.gz SGDBFNAWQUFHCV-SSEXGKCCSA-N 1 1 563.662 4.918 1 0 KJAFMO CCC[C@@H](O)[C@@H](CC)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144211633 562835954 /nfs/dbraw/zinc/83/59/54/562835954.db2.gz CJGAWIALIWALNE-KCWXNJEJSA-N 1 1 557.699 4.717 1 0 KJAFMO CCC[C@H](O)[C@@H](CC)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144211845 562835917 /nfs/dbraw/zinc/83/59/17/562835917.db2.gz CJGAWIALIWALNE-LGGPFLRQSA-N 1 1 557.699 4.717 1 0 KJAFMO CCC[C@@H](O)[C@H](CC)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144212034 562835911 /nfs/dbraw/zinc/83/59/11/562835911.db2.gz CJGAWIALIWALNE-ONOMSOESSA-N 1 1 557.699 4.717 1 0 KJAFMO CCC[C@H](O)[C@H](CC)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144212214 562835956 /nfs/dbraw/zinc/83/59/56/562835956.db2.gz CJGAWIALIWALNE-PBBNMVCDSA-N 1 1 557.699 4.717 1 0 KJAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@@H]4CCC[N@H+](C(C)(C)CO)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144274552 562836044 /nfs/dbraw/zinc/83/60/44/562836044.db2.gz PXQTVSUZVWYORU-HXUWFJFHSA-N 1 1 548.667 4.501 1 0 KJAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@H]4CCC[N@H+](C(C)(C)CO)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144274770 562836055 /nfs/dbraw/zinc/83/60/55/562836055.db2.gz PXQTVSUZVWYORU-FQEVSTJZSA-N 1 1 548.667 4.501 1 0 KJAFMO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@H+]4CC[C@H](F)C4)ccn3)c2s1 ZINC000144696295 562836608 /nfs/dbraw/zinc/83/66/08/562836608.db2.gz VOLHYRYLALCBEI-IBGZPJMESA-N 1 1 535.649 4.728 1 0 KJAFMO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@@H+]4CC[C@H](F)C4)ccn3)c2s1 ZINC000144696295 562836607 /nfs/dbraw/zinc/83/66/07/562836607.db2.gz VOLHYRYLALCBEI-IBGZPJMESA-N 1 1 535.649 4.728 1 0 KJAFMO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@H+]4CC[C@@H](F)C4)ccn3)c2s1 ZINC000144714758 562836633 /nfs/dbraw/zinc/83/66/33/562836633.db2.gz VOLHYRYLALCBEI-LJQANCHMSA-N 1 1 535.649 4.728 1 0 KJAFMO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@@H+]4CC[C@@H](F)C4)ccn3)c2s1 ZINC000144714758 562836632 /nfs/dbraw/zinc/83/66/32/562836632.db2.gz VOLHYRYLALCBEI-LJQANCHMSA-N 1 1 535.649 4.728 1 0 KJAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCCC(F)(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000145316374 562837035 /nfs/dbraw/zinc/83/70/35/562837035.db2.gz OWCSLYDGGCHGRF-UHFFFAOYSA-N 1 1 539.562 4.872 1 0 KJAFMO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(C(=O)NCCC[NH+]4CCN(C)CC4)c3)nnc2c1 ZINC000145447863 562837041 /nfs/dbraw/zinc/83/70/41/562837041.db2.gz YMWHIIIIWYCNJY-UHFFFAOYSA-N 1 1 523.685 4.728 1 0 KJAFMO NC(=O)c1c(NC(=O)NCCC[NH+]2CCOCC2)snc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000145738043 562837582 /nfs/dbraw/zinc/83/75/82/562837582.db2.gz FWBUUGDBUKHCQX-UHFFFAOYSA-N 1 1 609.606 4.555 1 0 KJAFMO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000145923256 562837809 /nfs/dbraw/zinc/83/78/09/562837809.db2.gz DCGOZLMPOYHONG-UHFFFAOYSA-N 1 1 529.620 4.820 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145950966 562837750 /nfs/dbraw/zinc/83/77/50/562837750.db2.gz VXQMHKKUPNLERH-MOPGFXCFSA-N 1 1 606.552 4.537 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145950966 562837749 /nfs/dbraw/zinc/83/77/49/562837749.db2.gz VXQMHKKUPNLERH-MOPGFXCFSA-N 1 1 606.552 4.537 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000145952155 562837771 /nfs/dbraw/zinc/83/77/71/562837771.db2.gz LCNAAQOCPPIRBP-SQJMNOBHSA-N 1 1 609.127 4.753 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145955671 562837769 /nfs/dbraw/zinc/83/77/69/562837769.db2.gz DXJIHLGUZNIDLJ-MOPGFXCFSA-N 1 1 573.547 4.941 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145955671 562837768 /nfs/dbraw/zinc/83/77/68/562837768.db2.gz DXJIHLGUZNIDLJ-MOPGFXCFSA-N 1 1 573.547 4.941 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956287 562837805 /nfs/dbraw/zinc/83/78/05/562837805.db2.gz DXJIHLGUZNIDLJ-RTBURBONSA-N 1 1 573.547 4.941 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956287 562837804 /nfs/dbraw/zinc/83/78/04/562837804.db2.gz DXJIHLGUZNIDLJ-RTBURBONSA-N 1 1 573.547 4.941 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956475 562837797 /nfs/dbraw/zinc/83/77/97/562837797.db2.gz DXJIHLGUZNIDLJ-RBUKOAKNSA-N 1 1 573.547 4.941 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956475 562837796 /nfs/dbraw/zinc/83/77/96/562837796.db2.gz DXJIHLGUZNIDLJ-RBUKOAKNSA-N 1 1 573.547 4.941 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956687 562837753 /nfs/dbraw/zinc/83/77/53/562837753.db2.gz DXJIHLGUZNIDLJ-OALUTQOASA-N 1 1 573.547 4.941 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956687 562837752 /nfs/dbraw/zinc/83/77/52/562837752.db2.gz DXJIHLGUZNIDLJ-OALUTQOASA-N 1 1 573.547 4.941 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145980885 562837883 /nfs/dbraw/zinc/83/78/83/562837883.db2.gz VXQMHKKUPNLERH-RBUKOAKNSA-N 1 1 606.552 4.537 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145980885 562837882 /nfs/dbraw/zinc/83/78/82/562837882.db2.gz VXQMHKKUPNLERH-RBUKOAKNSA-N 1 1 606.552 4.537 1 0 KJAFMO C[N@H+]1CCn2nc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6ccccc6s5)c4F)n[nH]c3=O)cc2C1 ZINC000146014823 562837946 /nfs/dbraw/zinc/83/79/46/562837946.db2.gz HJGDHPGHCPMSNJ-UHFFFAOYSA-N 1 1 533.564 4.568 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146032650 562837982 /nfs/dbraw/zinc/83/79/82/562837982.db2.gz OMZXIOVMQBHJLZ-MOPGFXCFSA-N 1 1 589.455 4.686 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146032650 562837981 /nfs/dbraw/zinc/83/79/81/562837981.db2.gz OMZXIOVMQBHJLZ-MOPGFXCFSA-N 1 1 589.455 4.686 1 0 KJAFMO COc1cc(O[C@@H]2CC[N@@H+](C)C2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146037112 562837957 /nfs/dbraw/zinc/83/79/57/562837957.db2.gz GIUZUUJDCVTFNA-OAHLLOKOSA-N 1 1 547.509 4.848 1 0 KJAFMO COc1cc(O[C@H]2CC[N@@H+](C)C2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146037320 562838014 /nfs/dbraw/zinc/83/80/14/562838014.db2.gz GIUZUUJDCVTFNA-HNNXBMFYSA-N 1 1 547.509 4.848 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146039053 562838008 /nfs/dbraw/zinc/83/80/08/562838008.db2.gz YCKNALFHAXXIOL-GOSISDBHSA-N 1 1 584.599 4.758 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146039221 562837995 /nfs/dbraw/zinc/83/79/95/562837995.db2.gz YCKNALFHAXXIOL-SFHVURJKSA-N 1 1 584.599 4.758 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2OC)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146050142 562838026 /nfs/dbraw/zinc/83/80/26/562838026.db2.gz MXGHFBUCANYXOR-IJHUGTEESA-N 1 1 615.518 4.923 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146055495 562838006 /nfs/dbraw/zinc/83/80/06/562838006.db2.gz GXZIIUFTWRYLBH-XMCHAPAWSA-N 1 1 587.027 4.732 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146055495 562838005 /nfs/dbraw/zinc/83/80/05/562838005.db2.gz GXZIIUFTWRYLBH-XMCHAPAWSA-N 1 1 587.027 4.732 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146056111 562838029 /nfs/dbraw/zinc/83/80/29/562838029.db2.gz MXGHFBUCANYXOR-VEQVNTQVSA-N 1 1 615.518 4.923 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146058024 562838048 /nfs/dbraw/zinc/83/80/48/562838048.db2.gz GXZIIUFTWRYLBH-KPOBHBOGSA-N 1 1 587.027 4.732 1 0 KJAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146058024 562838047 /nfs/dbraw/zinc/83/80/47/562838047.db2.gz GXZIIUFTWRYLBH-KPOBHBOGSA-N 1 1 587.027 4.732 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000146061103 562838090 /nfs/dbraw/zinc/83/80/90/562838090.db2.gz LCNAAQOCPPIRBP-BWKNWUBXSA-N 1 1 609.127 4.753 1 0 KJAFMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146070889 562838146 /nfs/dbraw/zinc/83/81/46/562838146.db2.gz JDMMETDHSXVEEV-LJQANCHMSA-N 1 1 554.573 4.749 1 0 KJAFMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146071116 562838123 /nfs/dbraw/zinc/83/81/23/562838123.db2.gz JDMMETDHSXVEEV-IBGZPJMESA-N 1 1 554.573 4.749 1 0 KJAFMO Cc1ccc(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)c(C)c1NC(=O)c1cc2ccccc2s1 ZINC000146118446 562838258 /nfs/dbraw/zinc/83/82/58/562838258.db2.gz YVDMQSQHLIBTLO-UHFFFAOYSA-N 1 1 525.638 4.906 1 0 KJAFMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)c5ccccc5)CC4)C3=O)cc2)C1 ZINC000146188531 562838336 /nfs/dbraw/zinc/83/83/36/562838336.db2.gz QXVXPHKFMXNRHP-CUBQBAPOSA-N 1 1 500.687 4.799 1 0 KJAFMO COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cc(C)[nH+]c1C ZINC000146204304 562838341 /nfs/dbraw/zinc/83/83/41/562838341.db2.gz KGPFQQPWYSPTJE-QHCPKHFHSA-N 1 1 528.510 4.978 1 0 KJAFMO Cc1ccc(NC(=O)CCC(F)(F)F)cc1N1CCc2nc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000146219387 562838323 /nfs/dbraw/zinc/83/83/23/562838323.db2.gz NEKBJPNERWJTIC-UHFFFAOYSA-N 1 1 581.643 4.760 1 0 KJAFMO CC(=O)N(C)C1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)n2)CC1 ZINC000146375877 562838506 /nfs/dbraw/zinc/83/85/06/562838506.db2.gz UYEGIUYKSFELSX-HHHXNRCGSA-N 1 1 575.827 4.658 1 0 KJAFMO CC(=O)N(C)C1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@H]4CCN(C)C4)CC3)n2)CC1 ZINC000146376079 562838489 /nfs/dbraw/zinc/83/84/89/562838489.db2.gz UYEGIUYKSFELSX-MHZLTWQESA-N 1 1 575.827 4.658 1 0 KJAFMO COCCNc1nc2scc(-c3ccccc3)c2c(N2CCC(C[N@H+]3CCC[C@H](N(C)C)C3)CC2)n1 ZINC000146498055 562838609 /nfs/dbraw/zinc/83/86/09/562838609.db2.gz KIOYNDUTAGTFJI-QHCPKHFHSA-N 1 1 508.736 4.659 1 0 KJAFMO COCCNc1nc2scc(-c3ccccc3)c2c(N2CCC(C[N@H+]3CCC[C@@H](N(C)C)C3)CC2)n1 ZINC000146498244 562838636 /nfs/dbraw/zinc/83/86/36/562838636.db2.gz KIOYNDUTAGTFJI-HSZRJFAPSA-N 1 1 508.736 4.659 1 0 KJAFMO COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cc[nH+]c1C ZINC000146558631 562838678 /nfs/dbraw/zinc/83/86/78/562838678.db2.gz BEYPGMAMRURLMJ-QFIPXVFZSA-N 1 1 514.483 4.670 1 0 KJAFMO CC(C)CC(C)(C)C[C@H]1[N@@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000146807342 562838812 /nfs/dbraw/zinc/83/88/12/562838812.db2.gz MQWCQUCGCWNIAO-RFHZMROGSA-N 1 1 592.127 4.596 1 0 KJAFMO CC(C)CC(C)(C)C[C@H]1[N@@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000146815576 562838852 /nfs/dbraw/zinc/83/88/52/562838852.db2.gz IZGWHHZJJAPUBL-KOXXDOIJSA-N 1 1 610.117 4.736 1 0 KJAFMO CC(C)CC(C)(C)C[C@H]1[N@@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000146816374 562838848 /nfs/dbraw/zinc/83/88/48/562838848.db2.gz JUJQYMGJIIFXSF-DDJVEYHLSA-N 1 1 610.117 4.736 1 0 KJAFMO C[N@H+]1[C@H](CCCc2cccs2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000146897667 562838870 /nfs/dbraw/zinc/83/88/70/562838870.db2.gz MYLFXWUXEYJTMB-VVGNQINPSA-N 1 1 620.574 4.733 1 0 KJAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(C(=O)c3ccoc3)CC2)C1=O ZINC000146915578 562838893 /nfs/dbraw/zinc/83/88/93/562838893.db2.gz GDEQMKGPLQTDES-OZXSUGGESA-N 1 1 504.675 4.700 1 0 KJAFMO CCn1nc(C2CC2)c(Cl)c1N1CCc2nc(-c3c4c(C)[nH]nc4ccc3C)nc(N3CC([NH+](C)C)C3)c2C1 ZINC000146928660 562838921 /nfs/dbraw/zinc/83/89/21/562838921.db2.gz NBFVDHHRGIVVGV-UHFFFAOYSA-N 1 1 546.123 4.697 1 0 KJAFMO Cc1[nH]nc2ccc(C)c(-c3nc4c(c(N5CC[C@@H]([NH+](C)C)C5)n3)CN(c3c(Cl)c(C5CC5)nn3C)CC4)c12 ZINC000146937321 562838942 /nfs/dbraw/zinc/83/89/42/562838942.db2.gz WDKMJWHJLBCEJC-LJQANCHMSA-N 1 1 546.123 4.604 1 0 KJAFMO C[N@H+]1[C@H](CCC2CCCC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000147051070 562839061 /nfs/dbraw/zinc/83/90/61/562839061.db2.gz IBPTYCBQGGSKOK-QMSAFVIYSA-N 1 1 592.539 4.619 1 0 KJAFMO CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000147080024 562839116 /nfs/dbraw/zinc/83/91/16/562839116.db2.gz JSOMMMZPVKOOPH-YALZGCRRSA-N 1 1 613.803 4.613 1 0 KJAFMO C[N@@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[nH]s2)C3)CC1 ZINC000147112795 562839097 /nfs/dbraw/zinc/83/90/97/562839097.db2.gz MAPAFEPDZXCYDA-UHFFFAOYSA-N 1 1 535.617 4.658 1 0 KJAFMO C[N@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[nH]s2)C3)CC1 ZINC000147112795 562839096 /nfs/dbraw/zinc/83/90/96/562839096.db2.gz MAPAFEPDZXCYDA-UHFFFAOYSA-N 1 1 535.617 4.658 1 0 KJAFMO O=S(=O)(Nc1nccs1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC000147450935 562839373 /nfs/dbraw/zinc/83/93/73/562839373.db2.gz NQZAAMMOPYGFGF-UHFFFAOYSA-N 1 1 520.602 4.921 1 0 KJAFMO C[N@H+]1[C@H](CCCc2ccccc2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000147555999 562839437 /nfs/dbraw/zinc/83/94/37/562839437.db2.gz CGLZSFZJVNLXMD-KATLIUSOSA-N 1 1 614.545 4.671 1 0 KJAFMO CC(=O)n1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)C2)c2ccccc21 ZINC000147779402 562839608 /nfs/dbraw/zinc/83/96/08/562839608.db2.gz DGYRJTQFTQOJOG-XMMPIXPASA-N 1 1 506.610 4.943 1 0 KJAFMO CC(=O)n1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)C2)c2ccccc21 ZINC000147779402 562839607 /nfs/dbraw/zinc/83/96/07/562839607.db2.gz DGYRJTQFTQOJOG-XMMPIXPASA-N 1 1 506.610 4.943 1 0 KJAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C[C@H](C)C1 ZINC000147807365 562839648 /nfs/dbraw/zinc/83/96/48/562839648.db2.gz PQSHODILBAUMMD-PGRDOPGGSA-N 1 1 526.616 4.905 1 0 KJAFMO COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C[C@H](C)C1 ZINC000147807365 562839647 /nfs/dbraw/zinc/83/96/47/562839647.db2.gz PQSHODILBAUMMD-PGRDOPGGSA-N 1 1 526.616 4.905 1 0 KJAFMO COc1cccc(F)c1C[N@H+]1C[C@H](C)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147807646 562839654 /nfs/dbraw/zinc/83/96/54/562839654.db2.gz ASIWKZTWSNQNMM-WIYYLYMNSA-N 1 1 512.589 4.666 1 0 KJAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](C)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147807646 562839653 /nfs/dbraw/zinc/83/96/53/562839653.db2.gz ASIWKZTWSNQNMM-WIYYLYMNSA-N 1 1 512.589 4.666 1 0 KJAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C[C@H](C)C1 ZINC000147808355 562839639 /nfs/dbraw/zinc/83/96/39/562839639.db2.gz ASIWKZTWSNQNMM-GHTZIAJQSA-N 1 1 512.589 4.666 1 0 KJAFMO COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C[C@H](C)C1 ZINC000147808355 562839638 /nfs/dbraw/zinc/83/96/38/562839638.db2.gz ASIWKZTWSNQNMM-GHTZIAJQSA-N 1 1 512.589 4.666 1 0 KJAFMO C[N@H+]1CCCN(c2nc(N)c3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4Cl)c3n2)CC1 ZINC000148035106 562839883 /nfs/dbraw/zinc/83/98/83/562839883.db2.gz VIVORZBOHGXGJC-UHFFFAOYSA-N 1 1 571.995 4.812 1 0 KJAFMO C[NH+]1CCN(c2nc(N)c3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4Br)c3n2)CC1 ZINC000148035356 562839901 /nfs/dbraw/zinc/83/99/01/562839901.db2.gz APHLHNUTZHNQSU-UHFFFAOYSA-N 1 1 602.419 4.531 1 0 KJAFMO C[N@H+]1CCCN(c2nc(N)c3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4Br)c3n2)CC1 ZINC000148035605 562839945 /nfs/dbraw/zinc/83/99/45/562839945.db2.gz GTLNGYAXTUMNNG-UHFFFAOYSA-N 1 1 616.446 4.921 1 0 KJAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[N@H+](C4CC4)CC3)nc12 ZINC000148046846 562839922 /nfs/dbraw/zinc/83/99/22/562839922.db2.gz LBJJGUGKTFKZDX-UHFFFAOYSA-N 1 1 577.615 5.000 1 0 KJAFMO Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C)CC3)nc12 ZINC000148051766 562840037 /nfs/dbraw/zinc/84/00/37/562840037.db2.gz MLAJHTYPPKIQDK-UHFFFAOYSA-N 1 1 571.995 4.730 1 0 KJAFMO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5c(N)nc(N6CC[NH+](C)CC6)nc45)c3)cc(C(F)(F)F)c2)cn1 ZINC000148052019 562840049 /nfs/dbraw/zinc/84/00/49/562840049.db2.gz ZAQQBZRRNFYEPS-UHFFFAOYSA-N 1 1 617.640 4.571 1 0 KJAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148059151 562840069 /nfs/dbraw/zinc/84/00/69/562840069.db2.gz IMTWMMIPKSDWGY-UHFFFAOYSA-N 1 1 552.561 4.503 1 0 KJAFMO COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N5CC[NH+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148065154 562840067 /nfs/dbraw/zinc/84/00/67/562840067.db2.gz XSBVJTDLAUYABD-UHFFFAOYSA-N 1 1 572.979 4.848 1 0 KJAFMO COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000148068746 562840062 /nfs/dbraw/zinc/84/00/62/562840062.db2.gz FJINZJVMYRGWFW-UHFFFAOYSA-N 1 1 582.587 4.594 1 0 KJAFMO COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCC[NH+]3CCOCC3)nc21 ZINC000148070063 562840141 /nfs/dbraw/zinc/84/01/41/562840141.db2.gz XAIUROGDXZXZIG-UHFFFAOYSA-N 1 1 612.613 4.586 1 0 KJAFMO COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NCCC[NH+]5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148074219 562840137 /nfs/dbraw/zinc/84/01/37/562840137.db2.gz QDYXTNISNZCBMO-UHFFFAOYSA-N 1 1 600.577 4.716 1 0 KJAFMO C[N@H+]1CCCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C(F)(F)F)c3n2)CC1 ZINC000148081617 562840167 /nfs/dbraw/zinc/84/01/67/562840167.db2.gz CYXUKSWLNWZORR-UHFFFAOYSA-N 1 1 569.592 4.862 1 0 KJAFMO CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(NCCC[NH+]5CCOCC5)nc43)c2)no1 ZINC000148082336 562840170 /nfs/dbraw/zinc/84/01/70/562840170.db2.gz IWTAJWUYPGRVMC-UHFFFAOYSA-N 1 1 599.618 4.854 1 0 KJAFMO Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148174738 562840484 /nfs/dbraw/zinc/84/04/84/562840484.db2.gz GFNCABDMOLRKKQ-UHFFFAOYSA-N 1 1 550.589 4.563 1 0 KJAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148199294 562840502 /nfs/dbraw/zinc/84/05/02/562840502.db2.gz ZEDBSKKCKDYWSN-UHFFFAOYSA-N 1 1 536.562 4.885 1 0 KJAFMO Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148199635 562840518 /nfs/dbraw/zinc/84/05/18/562840518.db2.gz WKKZWVSZGHNELT-UHFFFAOYSA-N 1 1 538.700 4.841 1 0 KJAFMO COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCC[N@@H+](C)CC4)nc32)c1 ZINC000148199806 562840490 /nfs/dbraw/zinc/84/04/90/562840490.db2.gz IPNSFZWSYQVMPY-UHFFFAOYSA-N 1 1 566.588 4.893 1 0 KJAFMO Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148200524 562840537 /nfs/dbraw/zinc/84/05/37/562840537.db2.gz XTQFVBGCBUHMNP-UHFFFAOYSA-N 1 1 550.589 4.563 1 0 KJAFMO Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148201622 562840522 /nfs/dbraw/zinc/84/05/22/562840522.db2.gz XMXMZKBNNLPHLD-UHFFFAOYSA-N 1 1 552.561 4.765 1 0 KJAFMO Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148202421 562840515 /nfs/dbraw/zinc/84/05/15/562840515.db2.gz PZHZIYFLEZUHBK-UHFFFAOYSA-N 1 1 510.646 4.773 1 0 KJAFMO COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[NH+](C)CC4)nc32)c1 ZINC000148202630 562840529 /nfs/dbraw/zinc/84/05/29/562840529.db2.gz VNINXOBFQZMSLE-UHFFFAOYSA-N 1 1 540.672 4.782 1 0 KJAFMO Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148235190 562840661 /nfs/dbraw/zinc/84/06/61/562840661.db2.gz YTMRMRQDKSKBON-UHFFFAOYSA-N 1 1 540.525 4.634 1 0 KJAFMO COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[NH+](C)CC4)nc32)c1 ZINC000148235661 562840646 /nfs/dbraw/zinc/84/06/46/562840646.db2.gz LTSGAJKOPVEUCR-UHFFFAOYSA-N 1 1 552.561 4.503 1 0 KJAFMO Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148248908 562840710 /nfs/dbraw/zinc/84/07/10/562840710.db2.gz ALNBGDPVAOADAM-UHFFFAOYSA-N 1 1 538.700 4.841 1 0 KJAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)ccc5OC)ccc4C)c3n2)CC1 ZINC000148290672 562840923 /nfs/dbraw/zinc/84/09/23/562840923.db2.gz JCQYLUUYGKILSE-UHFFFAOYSA-N 1 1 584.725 4.799 1 0 KJAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148291674 562840909 /nfs/dbraw/zinc/84/09/09/562840909.db2.gz VEIOPEYWDWXDIP-UHFFFAOYSA-N 1 1 566.588 4.511 1 0 KJAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5ccc(OC)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148292307 562840905 /nfs/dbraw/zinc/84/09/05/562840905.db2.gz AQWZYDCIXJEYMZ-UHFFFAOYSA-N 1 1 596.614 4.520 1 0 KJAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5C[C@H]6C[C@@H]5C[N@H+]6C)nc43)c2)cc1C(F)(F)F ZINC000148293209 562840882 /nfs/dbraw/zinc/84/08/82/562840882.db2.gz VAWXXZSPNUXHLH-RTBURBONSA-N 1 1 564.572 4.644 1 0 KJAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC[N@@H+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148300109 562840927 /nfs/dbraw/zinc/84/09/27/562840927.db2.gz FJHFPTKUHZEOOE-UHFFFAOYSA-N 1 1 566.588 4.893 1 0 KJAFMO Cc1ccc(C(=O)Nc2cc(N3CCC[N@H+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148308376 562840941 /nfs/dbraw/zinc/84/09/41/562840941.db2.gz RGSDICNKFUJZFR-UHFFFAOYSA-N 1 1 621.668 4.721 1 0 KJAFMO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N[C@@H]3CCOC3)nc21 ZINC000148330111 562841043 /nfs/dbraw/zinc/84/10/43/562841043.db2.gz GAJMOYPQXKGOLK-LJQANCHMSA-N 1 1 625.631 4.835 1 0 KJAFMO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N[C@H]3CCOC3)nc21 ZINC000148330285 562841071 /nfs/dbraw/zinc/84/10/71/562841071.db2.gz GAJMOYPQXKGOLK-IBGZPJMESA-N 1 1 625.631 4.835 1 0 KJAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(OC)cc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148345757 562841126 /nfs/dbraw/zinc/84/11/26/562841126.db2.gz WTHPMPVULUUJNG-UHFFFAOYSA-N 1 1 596.614 4.520 1 0 KJAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148345960 562841111 /nfs/dbraw/zinc/84/11/11/562841111.db2.gz FXINNRJJAZWKHD-UHFFFAOYSA-N 1 1 584.578 4.650 1 0 KJAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)[C@@H]5CC[N@@H+](C)C5)nc43)c2)cc1C(F)(F)F ZINC000148351118 562841141 /nfs/dbraw/zinc/84/11/41/562841141.db2.gz KDWAEVSPLAHKDT-LJQANCHMSA-N 1 1 566.588 4.892 1 0 KJAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)[C@H]5CC[N@@H+](C)C5)nc43)c2)cc1C(F)(F)F ZINC000148351347 562841177 /nfs/dbraw/zinc/84/11/77/562841177.db2.gz KDWAEVSPLAHKDT-IBGZPJMESA-N 1 1 566.588 4.892 1 0 KJAFMO COCC[NH+]1CCN(c2ncc3ncnc(N(C)c4cc(C(=O)Nc5ccc(OC)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148370235 562841192 /nfs/dbraw/zinc/84/11/92/562841192.db2.gz DYGVBLMDPBRMOV-UHFFFAOYSA-N 1 1 610.641 4.544 1 0 KJAFMO Cc1ccc(C(=O)Nc2ccnc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N(C)C3CC([NH+]4CCN(C)CC4)C3)nc21 ZINC000148373361 562841223 /nfs/dbraw/zinc/84/12/23/562841223.db2.gz YQCUDFRQGAIASS-UHFFFAOYSA-N 1 1 594.768 4.631 1 0 KJAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[C@@]4(CC[N@H+](C)C4)C3)nc21 ZINC000148374958 562841208 /nfs/dbraw/zinc/84/12/08/562841208.db2.gz OTUBGKOCPLPCKI-GDLZYMKVSA-N 1 1 541.660 4.542 1 0 KJAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[C@]4(CC[N@H+](C)C4)C3)nc21 ZINC000148375162 562841201 /nfs/dbraw/zinc/84/12/01/562841201.db2.gz OTUBGKOCPLPCKI-LJAQVGFWSA-N 1 1 541.660 4.542 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000148610020 562841519 /nfs/dbraw/zinc/84/15/19/562841519.db2.gz VVUZVKZRRVISEK-QFIPXVFZSA-N 1 1 515.050 4.779 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000148611143 562841590 /nfs/dbraw/zinc/84/15/90/562841590.db2.gz JKMLVFVXNBYPHD-OAQYLSRUSA-N 1 1 501.023 4.737 1 0 KJAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000148611327 562841555 /nfs/dbraw/zinc/84/15/55/562841555.db2.gz JKMLVFVXNBYPHD-NRFANRHFSA-N 1 1 501.023 4.737 1 0 KJAFMO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)C(C)(C)NC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000148754999 562841755 /nfs/dbraw/zinc/84/17/55/562841755.db2.gz FQDSRDKZHKVKTJ-OAHLLOKOSA-N 1 1 500.525 4.538 1 0 KJAFMO CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CC[NH+](C)CC3)c2)CC1 ZINC000148764085 562841758 /nfs/dbraw/zinc/84/17/58/562841758.db2.gz HQZLQPMNIPRNBQ-UHFFFAOYSA-N 1 1 573.692 4.942 1 0 KJAFMO COc1c(N)cccc1C[N@H+]1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148802030 562841863 /nfs/dbraw/zinc/84/18/63/562841863.db2.gz JVDXUEPTJGMQMQ-NRFANRHFSA-N 1 1 502.055 4.599 1 0 KJAFMO COc1ccc(N)cc1C[N@H+]1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148805837 562841856 /nfs/dbraw/zinc/84/18/56/562841856.db2.gz GQZFIKHEEPTODT-FQEVSTJZSA-N 1 1 502.055 4.599 1 0 KJAFMO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc3nc[nH]c3c2)n1 ZINC000148953823 562842061 /nfs/dbraw/zinc/84/20/61/562842061.db2.gz PMMAXDRXDKOVKW-UHFFFAOYSA-N 1 1 541.534 4.740 1 0 KJAFMO CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000148983663 562842026 /nfs/dbraw/zinc/84/20/26/562842026.db2.gz PRGOUCVKEIYIOH-PSWAGMNNSA-N 1 1 584.643 4.831 1 0 KJAFMO COCCCN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc5[nH]c(Cc6ccccc6OC)nc5c4)c4c3ncnc4N)CC2)CC1 ZINC000149185883 562842391 /nfs/dbraw/zinc/84/23/91/562842391.db2.gz JHZWEYCWMPNVEC-DIVCQZSQSA-N 1 1 609.779 4.689 1 0 KJAFMO CC(C)C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc4ccccc4n3)n[nH]c2C1(C)C ZINC000149192925 562842428 /nfs/dbraw/zinc/84/24/28/562842428.db2.gz KPUFRMPASGMHOR-SFTDATJTSA-N 1 1 515.662 4.576 1 0 KJAFMO COc1cc(O[C@@H]2CC[N@@H+](C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000149271788 562842550 /nfs/dbraw/zinc/84/25/50/562842550.db2.gz YRUIXESBPXQWOD-QGZVFWFLSA-N 1 1 501.955 4.957 1 0 KJAFMO COc1cc(O[C@H]2CC[N@@H+](C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000149271995 562842537 /nfs/dbraw/zinc/84/25/37/562842537.db2.gz YRUIXESBPXQWOD-KRWDZBQOSA-N 1 1 501.955 4.957 1 0 KJAFMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000150228853 562842998 /nfs/dbraw/zinc/84/29/98/562842998.db2.gz VVWPLOIIEPCGMY-MSRWEFABSA-N 1 1 556.069 4.833 1 0 KJAFMO O=C(CCN1CC[NH+](CCOCCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150546467 562844463 /nfs/dbraw/zinc/84/44/63/562844463.db2.gz MWPHIKVBDOYVMC-UHFFFAOYSA-N 1 1 656.805 4.620 1 0 KJAFMO COC(=O)c1cccc(S(=O)(=O)N2c3ccc(C(=O)N4CC[NH+](C)CC4)c(=O)n3[C@@H](c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000163780643 562849409 /nfs/dbraw/zinc/84/94/09/562849409.db2.gz DMYUYICGWAWUEM-XZWHSSHBSA-N 1 1 681.598 4.869 1 0 KJAFMO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(C3CC[NH+](C4COC4)CC3)cn2)c1=O ZINC000164260168 562849551 /nfs/dbraw/zinc/84/95/51/562849551.db2.gz FTIVTCIHXRAHHF-UHFFFAOYSA-N 1 1 652.771 4.741 1 0 KJAFMO Brc1c2nc(NCC[NH+]3CCN(c4ncccn4)CC3)[nH]c2c(Br)c(Br)c1Br ZINC000164723830 562849663 /nfs/dbraw/zinc/84/96/63/562849663.db2.gz KMJMXYBJEKLXRL-UHFFFAOYSA-N 1 1 638.988 4.637 1 0 KJAFMO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[NH+]5CCOCC5)cc4)n[nH]c3c1)C(=O)N2C ZINC000164859715 562849777 /nfs/dbraw/zinc/84/97/77/562849777.db2.gz CFVRISSXNGRSCL-PPDHBDSZSA-N 1 1 520.633 4.976 1 0 KJAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 ZINC000165265668 562850001 /nfs/dbraw/zinc/85/00/01/562850001.db2.gz BYUCUQIVOVVIPO-FJIJXJHWSA-N 1 1 505.581 4.508 1 0 KJAFMO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC[N@@H+](C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000165265941 562850030 /nfs/dbraw/zinc/85/00/30/562850030.db2.gz CBDMTQKVXYKZOT-UHFFFAOYSA-N 1 1 647.806 4.544 1 0 KJAFMO C[NH+]1CCN(c2cc(NC(=O)c3ccc(F)c(Nc4ncnc5cnc(N[C@@H]6CCOC6)nc54)c3)cc(C(F)(F)F)c2F)CC1 ZINC000165274041 562849982 /nfs/dbraw/zinc/84/99/82/562849982.db2.gz LBDPXLJCUQKYKY-QGZVFWFLSA-N 1 1 629.594 4.665 1 0 KJAFMO C[NH+]1CCN(c2cc(NC(=O)c3ccc(F)c(Nc4ncnc5cnc(N[C@H]6CCOC6)nc54)c3)cc(C(F)(F)F)c2F)CC1 ZINC000165274169 562850012 /nfs/dbraw/zinc/85/00/12/562850012.db2.gz LBDPXLJCUQKYKY-KRWDZBQOSA-N 1 1 629.594 4.665 1 0 KJAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(F)(F)F)ccc5-n5cccn5)ccc4C)c3n2)CC1 ZINC000165281069 562850075 /nfs/dbraw/zinc/85/00/75/562850075.db2.gz MXVMPGFGCGDXAZ-UHFFFAOYSA-N 1 1 632.651 4.697 1 0 KJAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5ccc6c(c5)OC(F)(F)OC6(F)F)ccc4C)c3n2)CC1 ZINC000165283208 562850092 /nfs/dbraw/zinc/85/00/92/562850092.db2.gz XXHOHHFTXUJIMJ-UHFFFAOYSA-N 1 1 628.587 4.501 1 0 KJAFMO COc1ccc(C(=O)Nc2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000166183369 562850377 /nfs/dbraw/zinc/85/03/77/562850377.db2.gz BZZLWVCYTPCCCU-UHFFFAOYSA-N 1 1 552.561 4.503 1 0 KJAFMO Cc1ccc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCC[NH+](C)C)nc21 ZINC000166223749 562850391 /nfs/dbraw/zinc/85/03/91/562850391.db2.gz SHGCRXSDCGCEMG-UHFFFAOYSA-N 1 1 636.727 4.883 1 0 KJAFMO CC(=O)Oc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000166289831 562850405 /nfs/dbraw/zinc/85/04/05/562850405.db2.gz MIWWOUVUSPKSIQ-HSZRJFAPSA-N 1 1 515.050 4.933 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@H+]4CC[C@H](c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392239 562850440 /nfs/dbraw/zinc/85/04/40/562850440.db2.gz LHNISCKBDZUZEB-DEOSSOPVSA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@@H+]4CC[C@H](c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392239 562850439 /nfs/dbraw/zinc/85/04/39/562850439.db2.gz LHNISCKBDZUZEB-DEOSSOPVSA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392239 562850438 /nfs/dbraw/zinc/85/04/38/562850438.db2.gz LHNISCKBDZUZEB-DEOSSOPVSA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@@H+]4CC[C@H](c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392239 562850437 /nfs/dbraw/zinc/85/04/37/562850437.db2.gz LHNISCKBDZUZEB-DEOSSOPVSA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@H+]4CC[C@H](c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392239 562850436 /nfs/dbraw/zinc/85/04/36/562850436.db2.gz LHNISCKBDZUZEB-DEOSSOPVSA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@H+]4CC[C@@H](c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392342 562850421 /nfs/dbraw/zinc/85/04/21/562850421.db2.gz LHNISCKBDZUZEB-XMMPIXPASA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@@H+]4CC[C@@H](c5nc(-c6ccccn6)n[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392342 562850420 /nfs/dbraw/zinc/85/04/20/562850420.db2.gz LHNISCKBDZUZEB-XMMPIXPASA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@H+]4CC[C@@H](c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392342 562850419 /nfs/dbraw/zinc/85/04/19/562850419.db2.gz LHNISCKBDZUZEB-XMMPIXPASA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@@H+]4CC[C@@H](c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392342 562850418 /nfs/dbraw/zinc/85/04/18/562850418.db2.gz LHNISCKBDZUZEB-XMMPIXPASA-N 1 1 513.609 4.936 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[N@H+]4CC[C@@H](c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000166392342 562850417 /nfs/dbraw/zinc/85/04/17/562850417.db2.gz LHNISCKBDZUZEB-XMMPIXPASA-N 1 1 513.609 4.936 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000166424767 562850446 /nfs/dbraw/zinc/85/04/46/562850446.db2.gz SGHBDLOMRUXKQF-UIOOFZCWSA-N 1 1 516.638 4.667 1 0 KJAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000166424767 562850445 /nfs/dbraw/zinc/85/04/45/562850445.db2.gz SGHBDLOMRUXKQF-UIOOFZCWSA-N 1 1 516.638 4.667 1 0 KJAFMO COC(=O)c1cnn2cc(-c3ccc(F)cc3F)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12 ZINC000166619579 562850442 /nfs/dbraw/zinc/85/04/42/562850442.db2.gz WKHSMMCSIFLZAK-UHFFFAOYSA-N 1 1 578.583 4.908 1 0 KJAFMO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)c(C)n2n1 ZINC000166759398 562850510 /nfs/dbraw/zinc/85/05/10/562850510.db2.gz HQOKBRLITOLGHO-UHFFFAOYSA-N 1 1 513.609 4.855 1 0 KJAFMO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nccn21 ZINC000166799611 562850507 /nfs/dbraw/zinc/85/05/07/562850507.db2.gz HAYWLTZXUNDCPW-UHFFFAOYSA-N 1 1 513.609 4.885 1 0 KJAFMO Fc1ccc(-c2cn3ccnc3nc2-c2ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)cc1 ZINC000166991986 562850544 /nfs/dbraw/zinc/85/05/44/562850544.db2.gz GJFXASSRDYLVRJ-UHFFFAOYSA-N 1 1 502.557 4.982 1 0 KJAFMO OCc1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12 ZINC000167017066 562850632 /nfs/dbraw/zinc/85/06/32/562850632.db2.gz NKFREIUXOLOXHW-UHFFFAOYSA-N 1 1 550.573 4.613 1 0 KJAFMO COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2n1 ZINC000167037761 562850593 /nfs/dbraw/zinc/85/05/93/562850593.db2.gz GCFYFGLETUUVLJ-UHFFFAOYSA-N 1 1 542.603 4.629 1 0 KJAFMO CSc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000167301068 562850690 /nfs/dbraw/zinc/85/06/90/562850690.db2.gz KXVGDOGLFUKMBR-UHFFFAOYSA-N 1 1 531.649 4.960 1 0 KJAFMO COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2c1CO ZINC000167320894 562850707 /nfs/dbraw/zinc/85/07/07/562850707.db2.gz POMKNVSPIRVORC-UHFFFAOYSA-N 1 1 580.599 4.622 1 0 KJAFMO COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc2n1 ZINC000167411427 562850799 /nfs/dbraw/zinc/85/07/99/562850799.db2.gz GBFJUXFRUIRHLW-UHFFFAOYSA-N 1 1 556.630 4.938 1 0 KJAFMO Cc1nc2cnccc2n1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)C[N@@H+](C)CC4)c2)cc1 ZINC000167974222 562851194 /nfs/dbraw/zinc/85/11/94/562851194.db2.gz IDJGZIRMUKWDTN-UHFFFAOYSA-N 1 1 530.632 4.899 1 0 KJAFMO C[N@H+]1CC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000168043938 562851224 /nfs/dbraw/zinc/85/12/24/562851224.db2.gz AYTHGYXLJROVNU-QARAYMMPSA-N 1 1 511.610 4.869 1 0 KJAFMO C[N@@H+]1CC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000168043938 562851223 /nfs/dbraw/zinc/85/12/23/562851223.db2.gz AYTHGYXLJROVNU-QARAYMMPSA-N 1 1 511.610 4.869 1 0 KJAFMO C[NH+]1CC(COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1 ZINC000168461927 562851406 /nfs/dbraw/zinc/85/14/06/562851406.db2.gz WYTLYVGYNYBCEI-FEWXOWJYSA-N 1 1 511.610 4.726 1 0 KJAFMO C[C@@H]1CC[C@H](C)[N@@H+]1CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168463101 562851419 /nfs/dbraw/zinc/85/14/19/562851419.db2.gz RUXPDJZDMYXGBL-OAOHXRHQSA-N 1 1 514.508 4.985 1 0 KJAFMO C[N@H+]1CCCN(CC(=O)N=[S@@](C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000169155391 562851682 /nfs/dbraw/zinc/85/16/82/562851682.db2.gz PQVNCEXMHISSOS-RWYGWLOXSA-N 1 1 617.559 4.514 1 0 KJAFMO C[N@@H+]1CCCN(CC(=O)N=[S@@](C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000169155391 562851681 /nfs/dbraw/zinc/85/16/81/562851681.db2.gz PQVNCEXMHISSOS-RWYGWLOXSA-N 1 1 617.559 4.514 1 0 KJAFMO OC[C@@]1(CCCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H](O5)[C@@H]1O ZINC000169289938 562851748 /nfs/dbraw/zinc/85/17/48/562851748.db2.gz UHQBJVRSTYEWKH-QCFBSGBLSA-N 1 1 503.683 4.594 1 0 KJAFMO OC[C@@]1(CCCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H](O5)[C@@H]1O ZINC000169289939 562851750 /nfs/dbraw/zinc/85/17/50/562851750.db2.gz UHQBJVRSTYEWKH-HHEUVIPPSA-N 1 1 503.683 4.594 1 0 KJAFMO CN1CCN(C(=S)SC[C@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 ZINC000169290805 562851804 /nfs/dbraw/zinc/85/18/04/562851804.db2.gz ZCDDSAFCVJQEDO-ISKFKSNPSA-N 1 1 541.705 4.774 1 0 KJAFMO C[N@H+]1CC[C@@H](Oc2ccc(CN3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000169292781 562852047 /nfs/dbraw/zinc/85/20/47/562852047.db2.gz XESAEBNNDALGPZ-QZTJIDSGSA-N 1 1 527.290 4.843 1 0 KJAFMO C[N@@H+]1CC[C@@H](Oc2ccc(CN3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000169292781 562852046 /nfs/dbraw/zinc/85/20/46/562852046.db2.gz XESAEBNNDALGPZ-QZTJIDSGSA-N 1 1 527.290 4.843 1 0 KJAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCOCC1 ZINC000169293576 562852114 /nfs/dbraw/zinc/85/21/14/562852114.db2.gz ZHUCRPJJILDDBD-FYYLOGMGSA-N 1 1 528.662 4.859 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4nccnc43)CC2)C1 ZINC000169294963 562852313 /nfs/dbraw/zinc/85/23/13/562852313.db2.gz QSMGPBMTUXHUNI-BDGPUAICSA-N 1 1 555.723 4.624 1 0 KJAFMO COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000169300130 562852804 /nfs/dbraw/zinc/85/28/04/562852804.db2.gz LBFIANPTQSJRPJ-IARZGTGTSA-N 1 1 504.631 4.573 1 0 KJAFMO COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000169300133 562852794 /nfs/dbraw/zinc/85/27/94/562852794.db2.gz LBFIANPTQSJRPJ-KCHLEUMXSA-N 1 1 504.631 4.573 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@@H]2C[C@@H](C)Nc3ccccc32)cc1OC ZINC000169301434 562852923 /nfs/dbraw/zinc/85/29/23/562852923.db2.gz ZPJCDXWVCPKLIN-LNYUQPRGSA-N 1 1 545.680 4.925 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@@H]2C[C@@H](C)Nc3ccccc32)cc1OC ZINC000169301434 562852922 /nfs/dbraw/zinc/85/29/22/562852922.db2.gz ZPJCDXWVCPKLIN-LNYUQPRGSA-N 1 1 545.680 4.925 1 0 KJAFMO CC1=N[C@@H]2C=C3CC[N@@H+](CCCSc4nnc(-c5cccc6nc(C)ccc65)n4C)CCC3=C[C@@H]2O1 ZINC000169302753 562853102 /nfs/dbraw/zinc/85/31/02/562853102.db2.gz UWMNNXYMOFTXGP-FTJBHMTQSA-N 1 1 500.672 4.969 1 0 KJAFMO CC1=N[C@H]2C=C3CC[N@@H+](CCCSc4nnc(-c5cccc6nc(C)ccc65)n4C)CCC3=C[C@@H]2O1 ZINC000169302756 562853108 /nfs/dbraw/zinc/85/31/08/562853108.db2.gz UWMNNXYMOFTXGP-UIOOFZCWSA-N 1 1 500.672 4.969 1 0 KJAFMO Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CN3CC[NH+](C)CC3)cs2)c1 ZINC000169306746 562853601 /nfs/dbraw/zinc/85/36/01/562853601.db2.gz QNNFXXIUYCESNQ-UHFFFAOYSA-N 1 1 577.732 4.709 1 0 KJAFMO COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CC[NH+]3CCCC3)c2)n1 ZINC000169310611 562854846 /nfs/dbraw/zinc/85/48/46/562854846.db2.gz MGXZPQRGFPHJNB-UHFFFAOYSA-N 1 1 566.106 4.851 1 0 KJAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@@H+]2C[C@@H](CC2CCCCC2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000169311273 562855105 /nfs/dbraw/zinc/85/51/05/562855105.db2.gz RNBZJLOFSRJJMQ-RUPCYPOASA-N 1 1 733.954 4.590 1 0 KJAFMO CCC[N@@H+](CCCCNC(=O)c1cc(=O)oc2c1cc1c3c2CCCN3CCC1)[C@@H]1COc2cccc(OC)c2C1 ZINC000169313669 562855664 /nfs/dbraw/zinc/85/56/64/562855664.db2.gz GEDMTUQQRHRNSK-QHCPKHFHSA-N 1 1 559.707 4.726 1 0 KJAFMO C[NH+](C)CCCn1c2ccccc2c([O-])c(CCCCCCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000169317058 562855894 /nfs/dbraw/zinc/85/58/94/562855894.db2.gz GFTUGFHESIPVDM-MUUNZHRXSA-N 1 1 504.719 4.947 1 0 KJAFMO C[NH+](C)CCCn1c2ccccc2c([O-])c(CCCCCCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000169317059 562855890 /nfs/dbraw/zinc/85/58/90/562855890.db2.gz GFTUGFHESIPVDM-NDEPHWFRSA-N 1 1 504.719 4.947 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc(F)c3)CC2)C1 ZINC000169322598 562856860 /nfs/dbraw/zinc/85/68/60/562856860.db2.gz IZPMYNCKMYYGDX-OEZPAIJMSA-N 1 1 521.677 4.820 1 0 KJAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCOCC3)n2)CC1 ZINC000169323837 562857146 /nfs/dbraw/zinc/85/71/46/562857146.db2.gz FPQVFOFVTQNGOK-UHFFFAOYSA-N 1 1 546.079 4.539 1 0 KJAFMO COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCC[N@@H+](C)Cc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327739 562858151 /nfs/dbraw/zinc/85/81/51/562858151.db2.gz FKPDOXLGSMSHFA-UHFFFAOYSA-N 1 1 640.810 4.586 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc(Cl)n3)CC2)C1 ZINC000169328032 562858254 /nfs/dbraw/zinc/85/82/54/562858254.db2.gz HXRCUZAAPSHWHF-VZVHPENPSA-N 1 1 539.120 4.729 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000169328921 562858414 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562858893 /nfs/dbraw/zinc/85/88/93/562858893.db2.gz OUBJWZUHGDDBFH-JYFHCDHNSA-N 1 1 542.684 4.631 1 0 KJAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](CC)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169331926 562859088 /nfs/dbraw/zinc/85/90/88/562859088.db2.gz FENPOBGBVDMUOV-RHASTOONSA-N 1 1 596.721 4.520 1 0 KJAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169332006 562859081 /nfs/dbraw/zinc/85/90/81/562859081.db2.gz DCKJSLKYPRSJEJ-LSYDWTRZSA-N 1 1 596.721 4.520 1 0 KJAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169332007 562859067 /nfs/dbraw/zinc/85/90/67/562859067.db2.gz DCKJSLKYPRSJEJ-XDNCGZIPSA-N 1 1 596.721 4.520 1 0 KJAFMO CC[C@@](O)(c1ccccc1)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@H+](CC2CC2)CC[C@]513 ZINC000169334595 562859530 /nfs/dbraw/zinc/85/95/30/562859530.db2.gz GFFDOSHSNIMJQO-JGSIVOCFSA-N 1 1 501.667 4.915 1 0 KJAFMO CC(C)CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)N[C@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(C)C ZINC000169335082 562859568 /nfs/dbraw/zinc/85/95/68/562859568.db2.gz SMAJDUVPOGSLSQ-ANYBCVGMSA-N 1 1 549.756 4.838 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000169335135 562859620 /nfs/dbraw/zinc/85/96/20/562859620.db2.gz MUAHCZAKVCEAPW-KCQQGECQSA-N 1 1 539.120 4.729 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000169337516 562860107 /nfs/dbraw/zinc/86/01/07/562860107.db2.gz AFTWAHVWWPISSD-KCQQGECQSA-N 1 1 539.667 4.959 1 0 KJAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4nsnc43)CC2)C1 ZINC000169337735 562860151 /nfs/dbraw/zinc/86/01/51/562860151.db2.gz JFDYBDBDEYOYGM-VZVHPENPSA-N 1 1 561.752 4.686 1 0 KJAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338621 562860291 /nfs/dbraw/zinc/86/02/91/562860291.db2.gz MCJYXNRYAYCDAR-PPMCTTEPSA-N 1 1 501.667 4.833 1 0 KJAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338623 562860280 /nfs/dbraw/zinc/86/02/80/562860280.db2.gz JFMUOBGOYHFCLV-PPMCTTEPSA-N 1 1 501.667 4.833 1 0 KJAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338627 562860267 /nfs/dbraw/zinc/86/02/67/562860267.db2.gz ZFEHARSLMJCXHZ-PPMCTTEPSA-N 1 1 501.667 4.833 1 0 KJAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338643 562860313 /nfs/dbraw/zinc/86/03/13/562860313.db2.gz IIIDFDLXYSOPEF-JTTXIWGLSA-N 1 1 505.630 4.664 1 0 KJAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338647 562860297 /nfs/dbraw/zinc/86/02/97/562860297.db2.gz NOIZKWGNWXOGNY-JTTXIWGLSA-N 1 1 505.630 4.664 1 0 KJAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(C)s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338650 562860308 /nfs/dbraw/zinc/86/03/08/562860308.db2.gz PPNSVPVOFMRTJV-BPMFMDAZSA-N 1 1 507.696 4.894 1 0 KJAFMO CCOc1cc(F)c(Cn2nc(-c3ncc(OCC[NH+](C)C)c(Nc4ccncc4)n3)c3c2CCC3)c(F)c1 ZINC000169341683 562860889 /nfs/dbraw/zinc/86/08/89/562860889.db2.gz HDLPONLLJOSAIM-UHFFFAOYSA-N 1 1 535.599 4.633 1 0 in-vitro KJAFMO C[C@@H]([N@H+]1CCc2nc(-c3ccc(Cl)cc3)sc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169343636 562861221 /nfs/dbraw/zinc/86/12/21/562861221.db2.gz CZCIRBUVHZEMQP-OYLFLEFRSA-N 1 1 501.990 4.668 1 0 KJAFMO C[C@@H]([N@H+]1CCc2nc(-c3ccc(Br)cc3)sc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169343641 562861229 /nfs/dbraw/zinc/86/12/29/562861229.db2.gz NJTMKVPGCRYNNL-OYLFLEFRSA-N 1 1 546.441 4.777 1 0 KJAFMO C[C@@H]([N@H+]1CCc2nc(-c3cccc(Cl)c3)sc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169343643 562861203 /nfs/dbraw/zinc/86/12/03/562861203.db2.gz VMODJGDIVSQRMZ-OYLFLEFRSA-N 1 1 501.990 4.668 1 0 KJAFMO C[C@@H]([N@H+]1CCc2nc(-c3cccc(Br)c3)sc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169343646 562861218 /nfs/dbraw/zinc/86/12/18/562861218.db2.gz SJGIAKRFGACQAI-OYLFLEFRSA-N 1 1 546.441 4.777 1 0 KJAFMO COc1ccccc1Cn1cc(-c2ccc(C(=O)NCCCC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)nn1 ZINC000169344536 562861432 /nfs/dbraw/zinc/86/14/32/562861432.db2.gz PDMZNJVJMWVYSE-UHFFFAOYSA-N 1 1 555.679 4.588 1 0 KJAFMO COc1cccc(Cn2cc(-c3ccc(C(=O)NCCCC[N@H+]4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)c1 ZINC000169344537 562861387 /nfs/dbraw/zinc/86/13/87/562861387.db2.gz CAGCVZHDPUUWEC-UHFFFAOYSA-N 1 1 555.679 4.588 1 0 KJAFMO COc1ccc(Cn2cc(-c3ccc(C(=O)NCCCC[N@H+]4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1 ZINC000169344538 562861405 /nfs/dbraw/zinc/86/14/05/562861405.db2.gz SZMAHJRTRLOUAZ-UHFFFAOYSA-N 1 1 555.679 4.588 1 0 KJAFMO COc1cccc(Cn2cc(-c3cccc(C(=O)NCCCC[N@H+]4CCc5cc(OC)c(OC)cc5C4)c3)nn2)c1 ZINC000169344539 562861384 /nfs/dbraw/zinc/86/13/84/562861384.db2.gz BZWZNZLYPPDXKU-UHFFFAOYSA-N 1 1 555.679 4.588 1 0 KJAFMO CCNC(=O)c1cnc(N2CC[N@@H+](C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](C3CC3)C2)c(Cl)c1 ZINC000169344685 562861459 /nfs/dbraw/zinc/86/14/59/562861459.db2.gz BNSISGSQGFUVIN-RUZDIDTESA-N 1 1 534.507 4.842 1 0 KJAFMO C[C@@H]1C[N@@H+](C)CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N4CCOCC4)n3)cc21 ZINC000169345255 562861569 /nfs/dbraw/zinc/86/15/69/562861569.db2.gz WKAIRPWODAMCTC-GOSISDBHSA-N 1 1 507.038 4.681 1 0 KJAFMO C[C@H]1C[N@@H+](C)CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N4CCOCC4)n3)cc21 ZINC000169345256 562861588 /nfs/dbraw/zinc/86/15/88/562861588.db2.gz WKAIRPWODAMCTC-SFHVURJKSA-N 1 1 507.038 4.681 1 0 KJAFMO CC[C@@H](C)N(C(=O)[C@@H](N)Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348473 562862298 /nfs/dbraw/zinc/86/22/98/562862298.db2.gz RAQCDDGDQCPLGP-VIZCGCQYSA-N 1 1 526.725 4.535 1 0 KJAFMO CC[C@H](C)N(C(=O)[C@@H](N)Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348474 562862319 /nfs/dbraw/zinc/86/23/19/562862319.db2.gz RAQCDDGDQCPLGP-YZNIXAGQSA-N 1 1 526.725 4.535 1 0 KJAFMO C[C@H]1C=C(CCCCCCC[C@H](O)CN(C)CC[N@@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000169349361 562862488 /nfs/dbraw/zinc/86/24/88/562862488.db2.gz WORUJHPVZKAEDO-ATACATFBSA-N 1 1 564.808 4.777 1 0 KJAFMO CCOc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(CC[NH+](C)C)CC6)ccc5[nH]4)cc3[nH]2)cc1 ZINC000169352842 562863255 /nfs/dbraw/zinc/86/32/55/562863255.db2.gz FJIRZOZMVONCBU-UHFFFAOYSA-N 1 1 509.658 4.856 1 0 KJAFMO COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000169355219 562863727 /nfs/dbraw/zinc/86/37/27/562863727.db2.gz JEOHSRSFZWJSOZ-HZFUHODCSA-N 1 1 504.631 4.573 1 0 KJAFMO COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000169355221 562863719 /nfs/dbraw/zinc/86/37/19/562863719.db2.gz JEOHSRSFZWJSOZ-KCHLEUMXSA-N 1 1 504.631 4.573 1 0 KJAFMO O=C(OCc1cn([C@@H]2C[N@H+](Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169355304 562863724 /nfs/dbraw/zinc/86/37/24/562863724.db2.gz FUXCQDIAOOJVLO-SDHSZQHLSA-N 1 1 509.031 4.899 1 0 KJAFMO O=C(OCc1cn([C@@H]2C[N@@H+](Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169355304 562863723 /nfs/dbraw/zinc/86/37/23/562863723.db2.gz FUXCQDIAOOJVLO-SDHSZQHLSA-N 1 1 509.031 4.899 1 0 KJAFMO CN1CCN(CCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356600 562863853 /nfs/dbraw/zinc/86/38/53/562863853.db2.gz YPHHCBORUIYXQN-ZIQMFUFLSA-N 1 1 501.715 4.752 1 0 KJAFMO CCC[N@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000169358807 562864027 /nfs/dbraw/zinc/86/40/27/562864027.db2.gz JGMQOJSHZALBEB-SVBPBHIXSA-N 1 1 634.769 4.544 1 0 KJAFMO CCC[N@@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 ZINC000169358807 562864026 /nfs/dbraw/zinc/86/40/26/562864026.db2.gz JGMQOJSHZALBEB-SVBPBHIXSA-N 1 1 634.769 4.544 1 0 KJAFMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000169363673 562864368 /nfs/dbraw/zinc/86/43/68/562864368.db2.gz WIWAJXWQEXVLAU-MHJHFQHJSA-N 1 1 548.636 4.538 1 0 KJAFMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2CC[C@@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000169363673 562864367 /nfs/dbraw/zinc/86/43/67/562864367.db2.gz WIWAJXWQEXVLAU-MHJHFQHJSA-N 1 1 548.636 4.538 1 0 KJAFMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000169363675 562864365 /nfs/dbraw/zinc/86/43/65/562864365.db2.gz WIWAJXWQEXVLAU-RAIGVTFRSA-N 1 1 548.636 4.538 1 0 KJAFMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2CC[C@@H]1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000169363675 562864364 /nfs/dbraw/zinc/86/43/64/562864364.db2.gz WIWAJXWQEXVLAU-RAIGVTFRSA-N 1 1 548.636 4.538 1 0 KJAFMO OC[C@@]1(CCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@@H](O5)[C@@H]1O ZINC000169363765 562864350 /nfs/dbraw/zinc/86/43/50/562864350.db2.gz JEGZKRAAOSMLMY-QCFBSGBLSA-N 1 1 503.683 4.594 1 0 KJAFMO OC[C@@]1(CCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@@H](O5)[C@@H]1O ZINC000169363766 562864371 /nfs/dbraw/zinc/86/43/71/562864371.db2.gz JEGZKRAAOSMLMY-HHEUVIPPSA-N 1 1 503.683 4.594 1 0 KJAFMO OC[C@@]1(CCCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@@H](O5)[C@@H]1O ZINC000169366028 562864466 /nfs/dbraw/zinc/86/44/66/562864466.db2.gz FWWLQSGXUXHCIC-CHEZAECSSA-N 1 1 517.710 4.984 1 0 KJAFMO Cc1[nH+]ccn1Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698277 562867078 /nfs/dbraw/zinc/86/70/78/562867078.db2.gz FDCAXDCVYWFBND-UHFFFAOYSA-N 1 1 580.718 4.809 1 0 KJAFMO CC(=O)Oc1cccc(C[N@@H+]2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000169702053 562868136 /nfs/dbraw/zinc/86/81/36/562868136.db2.gz MIWWOUVUSPKSIQ-QHCPKHFHSA-N 1 1 515.050 4.933 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702384 562868314 /nfs/dbraw/zinc/86/83/14/562868314.db2.gz UTBUPUYLDNALRI-HSZRJFAPSA-N 1 1 627.193 4.947 1 0 KJAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702384 562868313 /nfs/dbraw/zinc/86/83/13/562868313.db2.gz UTBUPUYLDNALRI-HSZRJFAPSA-N 1 1 627.193 4.947 1 0 KJAFMO COc1cc(C(=O)NC2CC([NH+]3CCN(CCF)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702394 562868311 /nfs/dbraw/zinc/86/83/11/562868311.db2.gz KHCVTGMXVRYETL-UHFFFAOYSA-N 1 1 645.183 4.896 1 0 KJAFMO COc1cc(C(=O)NC2CC([NH+]3CCN(C)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702402 562868307 /nfs/dbraw/zinc/86/83/07/562868307.db2.gz CWDNDGUIDCUMLW-UHFFFAOYSA-N 1 1 613.166 4.557 1 0 KJAFMO COc1cc(C(=O)NC2CC([NH+]3CCOCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702404 562868353 /nfs/dbraw/zinc/86/83/53/562868353.db2.gz RCQYCEBXDWLITH-UHFFFAOYSA-N 1 1 600.123 4.641 1 0 KJAFMO C[C@@]1(Cc2ccccc2)C(=O)NC2(CCCC2)C[N@@H+]1Cc1ccc2cc3c(cc2n1)C[C@@]1(C3)c2cccnc2NC1=O ZINC000169703599 562868839 /nfs/dbraw/zinc/86/88/39/562868839.db2.gz UACVZJDYLGCPBW-OQBISYOISA-N 1 1 557.698 4.865 1 0 KJAFMO C[C@]1(Cc2ccccc2)C(=O)NC2(CCCC2)C[N@@H+]1Cc1ccc2cc3c(cc2n1)C[C@@]1(C3)c2cccnc2NC1=O ZINC000169703600 562868869 /nfs/dbraw/zinc/86/88/69/562868869.db2.gz UACVZJDYLGCPBW-LRHLLKFHSA-N 1 1 557.698 4.865 1 0 KJAFMO O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(C[NH+]4CCC5(CC4)CC(=O)c4ccccc4O5)nc3cc1C2 ZINC000169703612 562868882 /nfs/dbraw/zinc/86/88/82/562868882.db2.gz ZBVCNPULWSAJJD-YTTGMZPUSA-N 1 1 516.601 4.619 1 0 KJAFMO O=C1Nc2ncccc2[C@]12Cc1cc3ccc(C[NH+]4CCC5(CC4)CC(=O)c4ccccc4O5)nc3cc1C2 ZINC000169703613 562868863 /nfs/dbraw/zinc/86/88/63/562868863.db2.gz ZBVCNPULWSAJJD-JGCGQSQUSA-N 1 1 516.601 4.619 1 0 KJAFMO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2c(Cl)cccc2NS(C)(=O)=O)n1 ZINC000169703986 562868915 /nfs/dbraw/zinc/86/89/15/562868915.db2.gz JYTGEOSYGPERDW-UHFFFAOYSA-N 1 1 629.061 4.889 1 0 KJAFMO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)cc2NS(C)(=O)=O)n1 ZINC000169703987 562868893 /nfs/dbraw/zinc/86/88/93/562868893.db2.gz ZENAVEGFQAMLKF-UHFFFAOYSA-N 1 1 629.061 4.889 1 0 KJAFMO Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[N@@H+]4C[C@H]5CC[C@@H](C4)O5)ccn32)n1 ZINC000169706574 562869886 /nfs/dbraw/zinc/86/98/86/562869886.db2.gz DVLRGNOMLVHMMA-WMPKNSHKSA-N 1 1 577.689 4.807 1 0 KJAFMO Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[N@H+]4C[C@H]5CC[C@@H](C4)O5)ccn32)n1 ZINC000169706574 562869885 /nfs/dbraw/zinc/86/98/85/562869885.db2.gz DVLRGNOMLVHMMA-WMPKNSHKSA-N 1 1 577.689 4.807 1 0 KJAFMO CC[N@@H+](CCO)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1 ZINC000169706922 562869926 /nfs/dbraw/zinc/86/99/26/562869926.db2.gz JJJVFTNNFDYRFZ-UHFFFAOYSA-N 1 1 500.651 4.516 1 0 KJAFMO COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([N@@H+](C)CCO)CC1)C(=O)C2 ZINC000169708270 562870252 /nfs/dbraw/zinc/87/02/52/562870252.db2.gz SAYQWFWJCLMCHE-BTOOTBGFSA-N 1 1 501.067 4.845 1 0 KJAFMO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([N@@H+](C)CCO)CC1)C(=O)C2 ZINC000169708271 562870241 /nfs/dbraw/zinc/87/02/41/562870241.db2.gz SAYQWFWJCLMCHE-BSYJTBJZSA-N 1 1 501.067 4.845 1 0 KJAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@H+]3CCC[C@H]3CO)cc2)c1 ZINC000169711520 562870991 /nfs/dbraw/zinc/87/09/91/562870991.db2.gz RKZNMCJGQKIGHN-VWLOTQADSA-N 1 1 587.677 4.640 1 0 KJAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)c1 ZINC000169711591 562871075 /nfs/dbraw/zinc/87/10/75/562871075.db2.gz RKZNMCJGQKIGHN-RUZDIDTESA-N 1 1 587.677 4.640 1 0 KJAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3CO)s2)c1 ZINC000169711597 562871107 /nfs/dbraw/zinc/87/11/07/562871107.db2.gz CMOCISPQIUCIHX-OAQYLSRUSA-N 1 1 593.706 4.702 1 0 KJAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@H+]3CCC[C@H]3CO)s2)c1 ZINC000169711598 562871092 /nfs/dbraw/zinc/87/10/92/562871092.db2.gz CMOCISPQIUCIHX-NRFANRHFSA-N 1 1 593.706 4.702 1 0 KJAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[NH+]3CCC(O)CC3)s2)c1 ZINC000169711599 562871103 /nfs/dbraw/zinc/87/11/03/562871103.db2.gz UJSUBQLZSOLMFU-UHFFFAOYSA-N 1 1 593.706 4.702 1 0 KJAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CCC[C@@H]5CO)cc4)c3)c(OCCCOC)cc21 ZINC000169711606 562871089 /nfs/dbraw/zinc/87/10/89/562871089.db2.gz GJLGXSBRASRPQZ-RUZDIDTESA-N 1 1 587.677 4.640 1 0 KJAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CCC[C@H]5CO)cc4)c3)c(OCCCOC)cc21 ZINC000169711607 562871078 /nfs/dbraw/zinc/87/10/78/562871078.db2.gz GJLGXSBRASRPQZ-VWLOTQADSA-N 1 1 587.677 4.640 1 0 KJAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000195437303 562871867 /nfs/dbraw/zinc/87/18/67/562871867.db2.gz WITZFUSWCPNNGU-RKEPUAKOSA-N 1 1 696.797 4.806 1 0 KJAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000195839114 562872368 /nfs/dbraw/zinc/87/23/68/562872368.db2.gz UJJBKAUOPDYSBC-YQXZIBMNSA-N 1 1 574.288 4.861 1 0 KJAFMO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000195839114 562872367 /nfs/dbraw/zinc/87/23/67/562872367.db2.gz UJJBKAUOPDYSBC-YQXZIBMNSA-N 1 1 574.288 4.861 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCc3cccnc3)Cc3ccncc3)cc2N(CC)C(=O)C(C)(C)C1=O ZINC000198468552 562872719 /nfs/dbraw/zinc/87/27/19/562872719.db2.gz ILNOCUPRGROOMO-UHFFFAOYSA-N 1 1 529.685 4.736 1 0 KJAFMO CCCN1c2ccc(OCCC[N@@H+](CCc3cccnc3)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000198497760 562872752 /nfs/dbraw/zinc/87/27/52/562872752.db2.gz IDYZARHVKIZPOP-UHFFFAOYSA-N 1 1 529.685 4.736 1 0 KJAFMO COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)N1CC[NH+](C)CC1)CCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1 ZINC000198834363 562872891 /nfs/dbraw/zinc/87/28/91/562872891.db2.gz ORTSQVKJVXPUFI-AKQQUHDPSA-N 1 1 699.216 4.555 1 0 KJAFMO CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(C(=O)NN4CC[NH+](C)CC4)cc3)nc21 ZINC000198978825 562872869 /nfs/dbraw/zinc/87/28/69/562872869.db2.gz LSNFUHFMDCZXMM-UHFFFAOYSA-N 1 1 538.031 4.579 1 0 KJAFMO CC(C)n1c(Nc2ccc(F)c(Cl)c2)nc2cnc(Nc3ccc(C(=O)NN4CC[NH+](C)CC4)cc3F)nc21 ZINC000198982335 562872873 /nfs/dbraw/zinc/87/28/73/562872873.db2.gz BMNRVDRIGUMQRP-UHFFFAOYSA-N 1 1 556.021 4.718 1 0 KJAFMO Cc1ccc(-n2cc(-c3ccc(CN4CC[NH+](C)CC4)cc3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000199413148 562872951 /nfs/dbraw/zinc/87/29/51/562872951.db2.gz HUUXFODVIYBEJN-UHFFFAOYSA-N 1 1 517.641 4.586 1 0 KJAFMO COc1cccc(F)c1C[N@H+]1C[C@H](C)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1 ZINC000199800182 562873087 /nfs/dbraw/zinc/87/30/87/562873087.db2.gz PQSHODILBAUMMD-XMSQKQJNSA-N 1 1 526.616 4.905 1 0 KJAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](C)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1 ZINC000199800182 562873086 /nfs/dbraw/zinc/87/30/86/562873086.db2.gz PQSHODILBAUMMD-XMSQKQJNSA-N 1 1 526.616 4.905 1 0 KJAFMO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000199802731 562873115 /nfs/dbraw/zinc/87/31/15/562873115.db2.gz VJLVYEPJGZOKTG-YJBOKZPZSA-N 1 1 518.593 4.806 1 0 KJAFMO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000199802731 562873114 /nfs/dbraw/zinc/87/31/14/562873114.db2.gz VJLVYEPJGZOKTG-YJBOKZPZSA-N 1 1 518.593 4.806 1 0 KJAFMO C[N@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000199802764 562873137 /nfs/dbraw/zinc/87/31/37/562873137.db2.gz VJLVYEPJGZOKTG-QAPCUYQASA-N 1 1 518.593 4.806 1 0 KJAFMO C[N@@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000199802764 562873136 /nfs/dbraw/zinc/87/31/36/562873136.db2.gz VJLVYEPJGZOKTG-QAPCUYQASA-N 1 1 518.593 4.806 1 0 KJAFMO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)cccc1N1Cc2ccc(C(C)(C)C)cc2C1=O ZINC000199972459 562873185 /nfs/dbraw/zinc/87/31/85/562873185.db2.gz LNTTWCMWTOIRLF-UHFFFAOYSA-N 1 1 523.641 4.589 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](CCOC)CC4)c4ccc(Cl)cc34)cc2)c1C ZINC000203554567 562873984 /nfs/dbraw/zinc/87/39/84/562873984.db2.gz OWLZQCCDGDPNOK-UHFFFAOYSA-N 1 1 605.139 4.815 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(Cl)cc34)cc2)c1C ZINC000203554569 562874029 /nfs/dbraw/zinc/87/40/29/562874029.db2.gz WLWPYBSPKCILMB-UHFFFAOYSA-N 1 1 561.086 4.798 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4cc(C)c(C)cc34)cc2)c1C ZINC000203555025 562874010 /nfs/dbraw/zinc/87/40/10/562874010.db2.gz FMMILDOXANBLCE-UHFFFAOYSA-N 1 1 554.695 4.761 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4cc(F)c(Cl)cc34)cc2)c1C ZINC000203555033 562874035 /nfs/dbraw/zinc/87/40/35/562874035.db2.gz RTIVTQKATKGTKF-UHFFFAOYSA-N 1 1 579.076 4.937 1 0 KJAFMO CS(=O)(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000203987305 562874253 /nfs/dbraw/zinc/87/42/53/562874253.db2.gz KWNMXYGISHPBBZ-KRWDZBQOSA-N 1 1 542.036 4.870 1 0 KJAFMO CS(=O)(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000203987325 562874242 /nfs/dbraw/zinc/87/42/42/562874242.db2.gz KWNMXYGISHPBBZ-QGZVFWFLSA-N 1 1 542.036 4.870 1 0 KJAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000203987866 562874301 /nfs/dbraw/zinc/87/43/01/562874301.db2.gz PZPZHHRRYKOANQ-UHFFFAOYSA-N 1 1 518.980 4.936 1 0 KJAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-n4ccnc4[C@@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204426898 562874443 /nfs/dbraw/zinc/87/44/43/562874443.db2.gz DIYCXELQMFEOFP-OAQYLSRUSA-N 1 1 500.651 4.864 1 0 KJAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-n4ccnc4[C@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204426910 562874476 /nfs/dbraw/zinc/87/44/76/562874476.db2.gz DIYCXELQMFEOFP-NRFANRHFSA-N 1 1 500.651 4.864 1 0 KJAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4CCCC[N@H+]4CC(C)(C)O)cc2OCC3)n(C(C)C)n1 ZINC000204428231 562874514 /nfs/dbraw/zinc/87/45/14/562874514.db2.gz JHJGKQOZWSRWDP-VWLOTQADSA-N 1 1 544.704 4.789 1 0 KJAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4CCCC[N@H+]4CC(C)(C)O)cc2OCC3)n(C(C)C)n1 ZINC000204428243 562874544 /nfs/dbraw/zinc/87/45/44/562874544.db2.gz JHJGKQOZWSRWDP-RUZDIDTESA-N 1 1 544.704 4.789 1 0 KJAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4ccsc4c3=O)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000204822226 562874602 /nfs/dbraw/zinc/87/46/02/562874602.db2.gz FBMPLKHXFQTJNM-UHFFFAOYSA-N 1 1 587.746 4.785 1 0 KJAFMO CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@H+]1CCc1ccccc1 ZINC000205008692 562874717 /nfs/dbraw/zinc/87/47/17/562874717.db2.gz WNUIWNLMBLSCIS-UHSQPCAPSA-N 1 1 538.696 4.607 1 0 KJAFMO CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@@H+]1CCc1ccccc1 ZINC000205008692 562874716 /nfs/dbraw/zinc/87/47/16/562874716.db2.gz WNUIWNLMBLSCIS-UHSQPCAPSA-N 1 1 538.696 4.607 1 0 KJAFMO Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@@H]5C[C@H](Cc6c(F)cccc6F)C[N@@H+](C)C5)cc43)ccc2n1 ZINC000205014951 562874759 /nfs/dbraw/zinc/87/47/59/562874759.db2.gz PYLUAXDUTQDMCP-DYESRHJHSA-N 1 1 514.580 4.688 1 0 KJAFMO Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@@H]5C[C@H](Cc6c(F)cccc6F)C[N@H+](C)C5)cc43)ccc2n1 ZINC000205014951 562874758 /nfs/dbraw/zinc/87/47/58/562874758.db2.gz PYLUAXDUTQDMCP-DYESRHJHSA-N 1 1 514.580 4.688 1 0 KJAFMO Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@H]5C[C@H](Cc6c(F)cccc6F)C[N@@H+](C)C5)cc43)ccc2n1 ZINC000205014971 562874732 /nfs/dbraw/zinc/87/47/32/562874732.db2.gz PYLUAXDUTQDMCP-UTKZUKDTSA-N 1 1 514.580 4.688 1 0 KJAFMO Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@H]5C[C@H](Cc6c(F)cccc6F)C[N@H+](C)C5)cc43)ccc2n1 ZINC000205014971 562874731 /nfs/dbraw/zinc/87/47/31/562874731.db2.gz PYLUAXDUTQDMCP-UTKZUKDTSA-N 1 1 514.580 4.688 1 0 KJAFMO Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@@H]5C[C@@H](Cc6c(F)cccc6F)C[N@@H+](C)C5)cc43)ccc2n1 ZINC000205014994 562874767 /nfs/dbraw/zinc/87/47/67/562874767.db2.gz PYLUAXDUTQDMCP-LAUBAEHRSA-N 1 1 514.580 4.688 1 0 KJAFMO Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@@H]5C[C@@H](Cc6c(F)cccc6F)C[N@H+](C)C5)cc43)ccc2n1 ZINC000205014994 562874766 /nfs/dbraw/zinc/87/47/66/562874766.db2.gz PYLUAXDUTQDMCP-LAUBAEHRSA-N 1 1 514.580 4.688 1 0 KJAFMO Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@H]5C[C@@H](Cc6c(F)cccc6F)C[N@@H+](C)C5)cc43)ccc2n1 ZINC000205015017 562874751 /nfs/dbraw/zinc/87/47/51/562874751.db2.gz PYLUAXDUTQDMCP-UWJYYQICSA-N 1 1 514.580 4.688 1 0 KJAFMO Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@H]5C[C@@H](Cc6c(F)cccc6F)C[N@H+](C)C5)cc43)ccc2n1 ZINC000205015017 562874750 /nfs/dbraw/zinc/87/47/50/562874750.db2.gz PYLUAXDUTQDMCP-UWJYYQICSA-N 1 1 514.580 4.688 1 0 KJAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C[C@H](C)C1 ZINC000205034179 562874793 /nfs/dbraw/zinc/87/47/93/562874793.db2.gz LFKHIVSTWCPQDN-QFBILLFUSA-N 1 1 514.561 4.554 1 0 KJAFMO COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C[C@H](C)C1 ZINC000205034179 562874792 /nfs/dbraw/zinc/87/47/92/562874792.db2.gz LFKHIVSTWCPQDN-QFBILLFUSA-N 1 1 514.561 4.554 1 0 KJAFMO CCc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)n[nH]3)cc2C)no1 ZINC000205328225 562875081 /nfs/dbraw/zinc/87/50/81/562875081.db2.gz CJFGEFVVORFDMA-UHFFFAOYSA-N 1 1 542.644 4.579 1 0 KJAFMO CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205340933 562875117 /nfs/dbraw/zinc/87/51/17/562875117.db2.gz KZYCFKDRYYLKKX-UHFFFAOYSA-N 1 1 590.740 4.874 1 0 KJAFMO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12 ZINC000205492237 562875440 /nfs/dbraw/zinc/87/54/40/562875440.db2.gz NCEHBUWMPOLOKS-UHFFFAOYSA-N 1 1 578.583 4.908 1 0 KJAFMO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5cccc(C)n5)n4)C3)cc2)nc2nc(C)nn21 ZINC000205498113 562875521 /nfs/dbraw/zinc/87/55/21/562875521.db2.gz INERYAOKFWMZAQ-UHFFFAOYSA-N 1 1 542.651 4.896 1 0 KJAFMO CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1N(CC)C1CCOCC1 ZINC000205714286 562875757 /nfs/dbraw/zinc/87/57/57/562875757.db2.gz DVPUNFJORMSHSM-UHFFFAOYSA-N 1 1 586.777 4.989 1 0 KJAFMO CCN(c1cc(-c2ccc(C[N@H+]3CCC[C@@H](O)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715440 562875797 /nfs/dbraw/zinc/87/57/97/562875797.db2.gz AIQVGFUSSVRXFY-SSEXGKCCSA-N 1 1 586.777 4.859 1 0 KJAFMO CCN(c1cc(-c2ccc(CN3CC[NH+](C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715844 562875781 /nfs/dbraw/zinc/87/57/81/562875781.db2.gz ABJILWSDTPZUCV-UHFFFAOYSA-N 1 1 585.793 4.650 1 0 KJAFMO CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)c(F)c(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205718098 562875776 /nfs/dbraw/zinc/87/57/76/562875776.db2.gz MVMFNMZLRJXPHI-UHFFFAOYSA-N 1 1 590.740 4.874 1 0 KJAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(N(CC(F)F)C3CCOCC3)c2C)c(=O)[nH]1 ZINC000205825369 562875970 /nfs/dbraw/zinc/87/59/70/562875970.db2.gz MMHHWSKFXGSHNX-UHFFFAOYSA-N 1 1 608.730 4.980 1 0 KJAFMO CC(C)c1ccc(C(=O)O[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2Nc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000206719449 562876536 /nfs/dbraw/zinc/87/65/36/562876536.db2.gz UMJMOBMCZCPEPL-DQEYMECFSA-N 1 1 522.602 4.536 1 0 KJAFMO CC(C)c1ccc(CO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2Nc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000206740264 562876548 /nfs/dbraw/zinc/87/65/48/562876548.db2.gz MLCCBLUSPKCWEX-UIOOFZCWSA-N 1 1 508.619 4.896 1 0 KJAFMO Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1N1CCc2nc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)ncc2C1=O ZINC000207315986 562876737 /nfs/dbraw/zinc/87/67/37/562876737.db2.gz OAZCSYYZEBSICT-UHFFFAOYSA-N 1 1 644.658 4.785 1 0 KJAFMO COc1cc(C(=O)OCCCCN2C[C@@H](C)[N@@H+](CCCCOC(=O)c3cc(OC)c(OC)c(OC)c3)C[C@H]2C)cc(OC)c1OC ZINC000209017877 562876839 /nfs/dbraw/zinc/87/68/39/562876839.db2.gz SFVXRVCUUFTHRJ-DNQXCXABSA-N 1 1 646.778 4.707 1 0 KJAFMO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000214151879 562877297 /nfs/dbraw/zinc/87/72/97/562877297.db2.gz TXPAETLBONTRSC-KQWNVCNZSA-N 1 1 507.594 4.834 1 0 KJAFMO Cc1[nH]c(/C=C2\C(=O)Nc3ncc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000214163270 562877309 /nfs/dbraw/zinc/87/73/09/562877309.db2.gz LSOLDVKBKPRYJX-HMAPJEAMSA-N 1 1 524.650 4.697 1 0 KJAFMO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cc(-c5ccncc5)[nH]n4)c3)sc2C1 ZINC000220414235 562878512 /nfs/dbraw/zinc/87/85/12/562878512.db2.gz QEGCTTOMTRRAIN-SQJMNOBHSA-N 1 1 541.681 4.577 1 0 KJAFMO COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H]([NH+]3CCOCC3)CC4)c2)cc1OC ZINC000220422091 562878479 /nfs/dbraw/zinc/87/84/79/562878479.db2.gz BBQNERJMARDUQX-UKILVPOCSA-N 1 1 576.719 4.579 1 0 KJAFMO COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H]([NH+]3CCOCC3)CC4)c2)cc1C ZINC000220424803 562878476 /nfs/dbraw/zinc/87/84/76/562878476.db2.gz RJYYFRDVKYGGJW-AZGAKELHSA-N 1 1 560.720 4.879 1 0 KJAFMO Cc1[nH]c(C=C2C(=O)Nc3ccc(-c4c[nH]c(-c5ccccc5)n4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000221776572 562879220 /nfs/dbraw/zinc/87/92/20/562879220.db2.gz RJHUKULOQZOAIA-KQWNVCNZSA-N 1 1 506.610 4.569 1 0 KJAFMO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4nnc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000221842566 562879261 /nfs/dbraw/zinc/87/92/61/562879261.db2.gz FEXXIXITPXJPRC-JWGURIENSA-N 1 1 524.650 4.697 1 0 KJAFMO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(-c4nc(-c5ccccc5)n[nH]4)cc32)c1C ZINC000221843573 562879275 /nfs/dbraw/zinc/87/92/75/562879275.db2.gz IATSNOJYINNSSS-QJOMJCCJSA-N 1 1 523.641 4.648 1 0 KJAFMO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(-c4n[nH]c(-c5ccccc5)n4)cc32)c1C ZINC000221843573 562879274 /nfs/dbraw/zinc/87/92/74/562879274.db2.gz IATSNOJYINNSSS-QJOMJCCJSA-N 1 1 523.641 4.648 1 0 KJAFMO CO[C@]12C=C[C@@]3(C[C@]1(C)[C@@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000224265082 562880402 /nfs/dbraw/zinc/88/04/02/562880402.db2.gz FZDIMXLFHUBMEZ-JJIKELEOSA-N 1 1 503.614 4.656 1 0 KJAFMO COc1ccc2c3c1O[C@@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000253633939 562882143 /nfs/dbraw/zinc/88/21/43/562882143.db2.gz PGZDUZAOPBWIDF-LCYXMKHKSA-N 1 1 503.683 4.507 1 0 KJAFMO COc1ccc2c3c1O[C@@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000253633943 562882132 /nfs/dbraw/zinc/88/21/32/562882132.db2.gz PGZDUZAOPBWIDF-OIDAMGILSA-N 1 1 503.683 4.507 1 0 KJAFMO COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000253633946 562882119 /nfs/dbraw/zinc/88/21/19/562882119.db2.gz PGZDUZAOPBWIDF-QCFBSGBLSA-N 1 1 503.683 4.507 1 0 KJAFMO C[N@H+]1CCC[C@H](CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253638244 562882431 /nfs/dbraw/zinc/88/24/31/562882431.db2.gz PUHMESLJVPPQNX-DWXRJYCRSA-N 1 1 531.926 4.562 1 0 KJAFMO C[N@H+]1CCC[C@@H](CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253638247 562882435 /nfs/dbraw/zinc/88/24/35/562882435.db2.gz PUHMESLJVPPQNX-QYBDOPJKSA-N 1 1 531.926 4.562 1 0 KJAFMO C[N@H+]1CCC[C@@H](OC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253682389 581099868 /nfs/dbraw/zinc/09/98/68/581099868.db2.gz IBLLBUYPYLZUSC-QPPBQGQZSA-N 1 1 533.898 4.534 1 0 KJAFMO C[N@H+]1CCC[C@H](OC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253682393 581099984 /nfs/dbraw/zinc/09/99/84/581099984.db2.gz IBLLBUYPYLZUSC-URXFXBBRSA-N 1 1 533.898 4.534 1 0 KJAFMO COc1ccccc1-c1c2c(c(OC)c3c1CC[N@@H+](C)[C@H]3[C@H]1OC(=O)c3c1ccc(OC)c3OC)OCO2 ZINC000299824074 562883199 /nfs/dbraw/zinc/88/31/99/562883199.db2.gz HDVWNBDSURGDIU-RPWUZVMVSA-N 1 1 519.550 4.557 1 0 KJAFMO COc1ccccc1-c1c2c(c(OC)c3c1CC[N@H+](C)[C@H]3[C@H]1OC(=O)c3c1ccc(OC)c3OC)OCO2 ZINC000299824074 562883198 /nfs/dbraw/zinc/88/31/98/562883198.db2.gz HDVWNBDSURGDIU-RPWUZVMVSA-N 1 1 519.550 4.557 1 0 KJAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)[N@@H+](C)CCCCCN1C[C@H](Cc2ccc(O)cc2)NC1=S ZINC000299824286 562883235 /nfs/dbraw/zinc/88/32/35/562883235.db2.gz AZFRIUCLANITFJ-AWCRTANDSA-N 1 1 581.896 4.812 1 0 KJAFMO COc1cc(/C=C/C(=O)OCCCC[N@@H+](C)CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000299824616 562883301 /nfs/dbraw/zinc/88/33/01/562883301.db2.gz LMEVBQGDSOCGTO-OUKQBFOZSA-N 1 1 589.682 4.644 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[N@H+]5CCC[C@@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299825569 562883618 /nfs/dbraw/zinc/88/36/18/562883618.db2.gz CSYLHEUBOVRMNX-AREMUKBSSA-N 1 1 566.706 4.986 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[N@H+]5CCC[C@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299825575 562883631 /nfs/dbraw/zinc/88/36/31/562883631.db2.gz CSYLHEUBOVRMNX-SANMLTNESA-N 1 1 566.706 4.986 1 0 KJAFMO C[NH+](C)Cc1c2ccccc2[nH]c1C(=O)NCCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1 ZINC000299825980 562883746 /nfs/dbraw/zinc/88/37/46/562883746.db2.gz DKBPQSXNYNGHQK-UHFFFAOYSA-N 1 1 559.681 4.668 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1cc(COc3ccccc3NC(=O)c3ccc4ccccc4n3)nn1)CC2 ZINC000299826250 562883813 /nfs/dbraw/zinc/88/38/13/562883813.db2.gz FRHBLRNEPZVMRZ-UHFFFAOYSA-N 1 1 564.646 4.733 1 0 KJAFMO COc1cc2c(cc1OC)C[N@H+](CCn1cc(COc3ccccc3NC(=O)c3ccc4ccccc4n3)nn1)CC2 ZINC000299826250 562883812 /nfs/dbraw/zinc/88/38/12/562883812.db2.gz FRHBLRNEPZVMRZ-UHFFFAOYSA-N 1 1 564.646 4.733 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299828326 562884430 /nfs/dbraw/zinc/88/44/30/562884430.db2.gz IAAHTPOTCBOKRX-PSWAGMNNSA-N 1 1 566.706 4.699 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCC[N@@H+](C)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299830244 562885172 /nfs/dbraw/zinc/88/51/72/562885172.db2.gz MAEJHLCDEPWOPH-UHFFFAOYSA-N 1 1 554.695 4.843 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(OC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(Cl)cc34)cc2)c1C ZINC000299830266 562885194 /nfs/dbraw/zinc/88/51/94/562885194.db2.gz MFTNUFUMHSJQIL-UHFFFAOYSA-N 1 1 562.070 4.765 1 0 KJAFMO COc1cc(/C=C/C(=O)OCCCCC[N@@H+](C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000299831227 562885504 /nfs/dbraw/zinc/88/55/04/562885504.db2.gz YDTSKBZQNJTOPK-OUKQBFOZSA-N 1 1 589.682 4.644 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4C[N@H+]5C)c4ccc(C)cc34)cc2)c1C ZINC000299832600 562885868 /nfs/dbraw/zinc/88/58/68/562885868.db2.gz QADYICPXCLUKAL-DQEYMECFSA-N 1 1 552.679 4.594 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](CC)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299832638 562885849 /nfs/dbraw/zinc/88/58/49/562885849.db2.gz QHXPIGIAJMEOJE-UHFFFAOYSA-N 1 1 554.695 4.843 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@H]4CCC[N@@H+](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299834730 562886548 /nfs/dbraw/zinc/88/65/48/562886548.db2.gz VHCHHMQCTCIXEB-DEOSSOPVSA-N 1 1 554.695 4.889 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@@H]4CCC[N@@H+](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299834735 562886534 /nfs/dbraw/zinc/88/65/34/562886534.db2.gz VHCHHMQCTCIXEB-XMMPIXPASA-N 1 1 554.695 4.889 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C5CC5)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299835482 562886885 /nfs/dbraw/zinc/88/68/85/562886885.db2.gz WEIOJAZJELWSIH-UHFFFAOYSA-N 1 1 566.706 4.986 1 0 KJAFMO CCCC(=O)c1cnn(-c2ccc3c(c2)OCCN3C(=O)c2cn(CC(=O)N3CC[NH+](C)CC3)c3ccc(Cl)cc23)c1C ZINC000299836367 562887087 /nfs/dbraw/zinc/88/70/87/562887087.db2.gz ZEPYQOKZKRUNGH-UHFFFAOYSA-N 1 1 603.123 4.585 1 0 KJAFMO COc1cc(C(=O)OCCCCN2C[C@H](C)[N@@H+](CCCCOC(=O)c3cc(OC)c(OC)c(OC)c3)C[C@@H]2C)cc(OC)c1OC ZINC000299839304 562888158 /nfs/dbraw/zinc/88/81/58/562888158.db2.gz SFVXRVCUUFTHRJ-ZEQRLZLVSA-N 1 1 646.778 4.707 1 0 KJAFMO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NCC=N)[C@H](c2cccc(Cl)c2F)[C@@]12c1ccc(Cl)cc1NC2=O ZINC000299840322 562888471 /nfs/dbraw/zinc/88/84/71/562888471.db2.gz UZCPOBKEPQHWJB-MZFHRINRSA-N 1 1 505.421 4.649 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1cc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)nn1)CC2 ZINC000299841072 562888742 /nfs/dbraw/zinc/88/87/42/562888742.db2.gz XSRSNVWMSJSEFI-UHFFFAOYSA-N 1 1 548.043 4.838 1 0 KJAFMO COc1cc2c(cc1OC)C[N@H+](CCn1cc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)nn1)CC2 ZINC000299841072 562888741 /nfs/dbraw/zinc/88/87/41/562888741.db2.gz XSRSNVWMSJSEFI-UHFFFAOYSA-N 1 1 548.043 4.838 1 0 KJAFMO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000299841205 562888768 /nfs/dbraw/zinc/88/87/68/562888768.db2.gz YOVVEEOQRUQRLN-KRWDZBQOSA-N 1 1 539.476 4.805 1 0 KJAFMO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC[C@H]2CCC[N@H+]2C)cc1Cl ZINC000299841206 562888819 /nfs/dbraw/zinc/88/88/19/562888819.db2.gz YOVVEEOQRUQRLN-QGZVFWFLSA-N 1 1 539.476 4.805 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1cc(COc3ccccc3NC(=O)c3cnc4ccccc4c3)nn1)CC2 ZINC000299841436 562888875 /nfs/dbraw/zinc/88/88/75/562888875.db2.gz ZVAIWZUSSZEANO-UHFFFAOYSA-N 1 1 564.646 4.733 1 0 KJAFMO COc1cc2c(cc1OC)C[N@H+](CCn1cc(COc3ccccc3NC(=O)c3cnc4ccccc4c3)nn1)CC2 ZINC000299841436 562888874 /nfs/dbraw/zinc/88/88/74/562888874.db2.gz ZVAIWZUSSZEANO-UHFFFAOYSA-N 1 1 564.646 4.733 1 0 KJAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1cc(COc3ccccc3NC(=O)c3cccc(Cl)c3)nn1)CC2 ZINC000299841464 562888892 /nfs/dbraw/zinc/88/88/92/562888892.db2.gz ZYDJCXPERHMTCF-UHFFFAOYSA-N 1 1 548.043 4.838 1 0 KJAFMO COc1cc2c(cc1OC)C[N@H+](CCn1cc(COc3ccccc3NC(=O)c3cccc(Cl)c3)nn1)CC2 ZINC000299841464 562888891 /nfs/dbraw/zinc/88/88/91/562888891.db2.gz ZYDJCXPERHMTCF-UHFFFAOYSA-N 1 1 548.043 4.838 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@H]2C[C@@H](C)Nc3ccccc32)cc1OC ZINC000299845316 562889439 /nfs/dbraw/zinc/88/94/39/562889439.db2.gz ZPJCDXWVCPKLIN-JAMKYWPSSA-N 1 1 545.680 4.925 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@H]2C[C@@H](C)Nc3ccccc32)cc1OC ZINC000299845316 562889438 /nfs/dbraw/zinc/88/94/38/562889438.db2.gz ZPJCDXWVCPKLIN-JAMKYWPSSA-N 1 1 545.680 4.925 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@@H]2C[C@H](C)Nc3ccccc32)cc1OC ZINC000299845319 562889455 /nfs/dbraw/zinc/88/94/55/562889455.db2.gz ZPJCDXWVCPKLIN-MHBGZZOHSA-N 1 1 545.680 4.925 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@@H]2C[C@H](C)Nc3ccccc32)cc1OC ZINC000299845319 562889454 /nfs/dbraw/zinc/88/94/54/562889454.db2.gz ZPJCDXWVCPKLIN-MHBGZZOHSA-N 1 1 545.680 4.925 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@H]2C[C@H](C)Nc3ccccc32)cc1OC ZINC000299845321 562889472 /nfs/dbraw/zinc/88/94/72/562889472.db2.gz ZPJCDXWVCPKLIN-SQMFLSJESA-N 1 1 545.680 4.925 1 0 KJAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@H]2C[C@H](C)Nc3ccccc32)cc1OC ZINC000299845321 562889471 /nfs/dbraw/zinc/88/94/71/562889471.db2.gz ZPJCDXWVCPKLIN-SQMFLSJESA-N 1 1 545.680 4.925 1 0 KJAFMO Cc1coc(-c2cccc(C(=O)N[C@H]3CC[C@H](CC[N@H+]4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)n1 ZINC000299845593 562889510 /nfs/dbraw/zinc/88/95/10/562889510.db2.gz CXACCTLHKWWMBU-MGFGWZDJSA-N 1 1 551.709 4.768 1 0 KJAFMO Cc1ccc2c(cccc2C(=O)N[C@H]2CC[C@H](CC[N@H+]3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)n1 ZINC000299845596 562889517 /nfs/dbraw/zinc/88/95/17/562889517.db2.gz DQJPLAXUDBHKAH-RZFKFIIISA-N 1 1 535.710 4.661 1 0 KJAFMO CS(=O)(=O)Oc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[C@H](NC(=O)c3cccc(-n4cccc4)c3)CC1)CC2 ZINC000299845644 562889523 /nfs/dbraw/zinc/88/95/23/562889523.db2.gz GLNKSQKEDBWUGV-JIBACQESSA-N 1 1 535.710 4.595 1 0 KJAFMO Cc1ncc(-c2cccc(C(=O)N[C@H]3CC[C@H](CC[N@H+]4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)o1 ZINC000299845921 562889563 /nfs/dbraw/zinc/88/95/63/562889563.db2.gz LUFMWUOUUQBFCY-MGFGWZDJSA-N 1 1 551.709 4.768 1 0 KJAFMO Cc1ccc2c(cccc2C(=O)N[C@H]2CC[C@H](CC[N@H+]3CCc4ccc(S(C)(=O)=O)cc4CC3)CC2)n1 ZINC000299846002 562889592 /nfs/dbraw/zinc/88/95/92/562889592.db2.gz RPIVMBGTIWBNFZ-RZFKFIIISA-N 1 1 519.711 4.726 1 0 KJAFMO CS(=O)(=O)Oc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc43)CC1)CC2 ZINC000299846049 562889606 /nfs/dbraw/zinc/88/96/06/562889606.db2.gz CWTKWMZRXUTRKL-PGWJBFNOSA-N 1 1 520.695 4.958 1 0 KJAFMO Cc1cnc(-c2cccc(C(=O)N[C@H]3CC[C@H](CC[N@H+]4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)o1 ZINC000299846117 562889633 /nfs/dbraw/zinc/88/96/33/562889633.db2.gz JWEXFFPVADEULA-MGFGWZDJSA-N 1 1 551.709 4.768 1 0 KJAFMO Cc1cc(-c2cccc(C(=O)N[C@H]3CC[C@H](CC[N@H+]4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)on1 ZINC000299846159 562889651 /nfs/dbraw/zinc/88/96/51/562889651.db2.gz WVDFKSHXOWCAKH-MGFGWZDJSA-N 1 1 535.710 4.833 1 0 KJAFMO Cc1ncc(-c2cccc(C(=O)N[C@H]3CC[C@H](CC[N@H+]4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)o1 ZINC000299846171 562889643 /nfs/dbraw/zinc/88/96/43/562889643.db2.gz XXKFENINNOPLPU-MGFGWZDJSA-N 1 1 535.710 4.833 1 0 KJAFMO Cc1cc(-c2cccc(C(=O)N[C@H]3CC[C@H](CC[N@H+]4CCc5ccc(OS(C)(=O)=O)cc5CC4)CC3)c2)on1 ZINC000299846696 562889716 /nfs/dbraw/zinc/88/97/16/562889716.db2.gz ZMJYDZCRICPTFL-MGFGWZDJSA-N 1 1 551.709 4.768 1 0 KJAFMO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CC[C@H]1CC[C@H](NC(=O)/C=C/c3c(F)cccc3F)CC1)CC2 ZINC000299846886 562889762 /nfs/dbraw/zinc/88/97/62/562889762.db2.gz UAADKSLJJWMEKI-VFWABUEKSA-N 1 1 516.654 4.547 1 0 KJAFMO O=C(C[C@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1 ZINC000299847272 562889874 /nfs/dbraw/zinc/88/98/74/562889874.db2.gz LMHSDWZYDYHNTK-YPAWHYETSA-N 1 1 512.614 4.583 1 0 KJAFMO O=C(C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1 ZINC000299847272 562889873 /nfs/dbraw/zinc/88/98/73/562889873.db2.gz LMHSDWZYDYHNTK-YPAWHYETSA-N 1 1 512.614 4.583 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccccc3F)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299854510 562891377 /nfs/dbraw/zinc/89/13/77/562891377.db2.gz ABASRKIVZOVMJH-HSZRJFAPSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccccc3F)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299854513 562891398 /nfs/dbraw/zinc/89/13/98/562891398.db2.gz ABASRKIVZOVMJH-QHCPKHFHSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCCN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000299854608 562891448 /nfs/dbraw/zinc/89/14/48/562891448.db2.gz AOCCUSCVPQOIRN-UHFFFAOYSA-N 1 1 543.127 4.977 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000299854608 562891447 /nfs/dbraw/zinc/89/14/47/562891447.db2.gz AOCCUSCVPQOIRN-UHFFFAOYSA-N 1 1 543.127 4.977 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000299854608 562891446 /nfs/dbraw/zinc/89/14/46/562891446.db2.gz AOCCUSCVPQOIRN-UHFFFAOYSA-N 1 1 543.127 4.977 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3cccc(F)c3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855002 562891527 /nfs/dbraw/zinc/89/15/27/562891527.db2.gz CCUUWFNDMFXJMR-HSZRJFAPSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3cccc(F)c3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855002 562891526 /nfs/dbraw/zinc/89/15/26/562891526.db2.gz CCUUWFNDMFXJMR-HSZRJFAPSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3cccc(F)c3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855003 562891490 /nfs/dbraw/zinc/89/14/90/562891490.db2.gz CCUUWFNDMFXJMR-QHCPKHFHSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3cccc(F)c3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855003 562891489 /nfs/dbraw/zinc/89/14/89/562891489.db2.gz CCUUWFNDMFXJMR-QHCPKHFHSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)c2cccc(Cl)c2)CC1 ZINC000299855071 562891547 /nfs/dbraw/zinc/89/15/47/562891547.db2.gz CZVUOZPEWVPBHF-JOCHJYFZSA-N 1 1 529.100 4.667 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c2cccc(Cl)c2)CC1 ZINC000299855073 562891535 /nfs/dbraw/zinc/89/15/35/562891535.db2.gz CZVUOZPEWVPBHF-QFIPXVFZSA-N 1 1 529.100 4.667 1 0 KJAFMO COc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299855469 562891646 /nfs/dbraw/zinc/89/16/46/562891646.db2.gz BCVGDFVUHQSRKG-UHFFFAOYSA-N 1 1 542.680 4.727 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855806 562891747 /nfs/dbraw/zinc/89/17/47/562891747.db2.gz GMHKDASFRJNUHU-DEOSSOPVSA-N 1 1 525.137 4.836 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855806 562891746 /nfs/dbraw/zinc/89/17/46/562891746.db2.gz GMHKDASFRJNUHU-DEOSSOPVSA-N 1 1 525.137 4.836 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCCN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855806 562891745 /nfs/dbraw/zinc/89/17/45/562891745.db2.gz GMHKDASFRJNUHU-DEOSSOPVSA-N 1 1 525.137 4.836 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855809 562891737 /nfs/dbraw/zinc/89/17/37/562891737.db2.gz GMHKDASFRJNUHU-XMMPIXPASA-N 1 1 525.137 4.836 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855809 562891736 /nfs/dbraw/zinc/89/17/36/562891736.db2.gz GMHKDASFRJNUHU-XMMPIXPASA-N 1 1 525.137 4.836 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCCN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855809 562891735 /nfs/dbraw/zinc/89/17/35/562891735.db2.gz GMHKDASFRJNUHU-XMMPIXPASA-N 1 1 525.137 4.836 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299856216 562891897 /nfs/dbraw/zinc/89/18/97/562891897.db2.gz ISEQOZLGRBFKIV-HSZRJFAPSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299856218 562891917 /nfs/dbraw/zinc/89/19/17/562891917.db2.gz ISEQOZLGRBFKIV-QHCPKHFHSA-N 1 1 543.127 4.975 1 0 KJAFMO Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)C45CCC(C[NH3+])(CC4)CC5)[nH]c3Cl)ccc12 ZINC000299856665 562891971 /nfs/dbraw/zinc/89/19/71/562891971.db2.gz DCGNYZUHWDBIJK-KXJCJMOQSA-N 1 1 518.065 4.888 1 0 KJAFMO CC(=O)N1CCC[C@H](C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)C1 ZINC000299857284 562892155 /nfs/dbraw/zinc/89/21/55/562892155.db2.gz MSZZGUPVRPUTFU-BVAGGSTKSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC[C@@H](C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)C1 ZINC000299857288 562892196 /nfs/dbraw/zinc/89/21/96/562892196.db2.gz MSZZGUPVRPUTFU-JYFHCDHNSA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC[C@H](C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)C1 ZINC000299857291 562892179 /nfs/dbraw/zinc/89/21/79/562892179.db2.gz MSZZGUPVRPUTFU-OZXSUGGESA-N 1 1 543.127 4.975 1 0 KJAFMO CC(=O)N1CCC[C@@H](C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)C1 ZINC000299857295 562892160 /nfs/dbraw/zinc/89/21/60/562892160.db2.gz MSZZGUPVRPUTFU-ZEQKJWHPSA-N 1 1 543.127 4.975 1 0 KJAFMO C[N@@H+](CCNCc1cn(-c2ccnc3cc(Cl)ccc32)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299857516 562892225 /nfs/dbraw/zinc/89/22/25/562892225.db2.gz FHTNNIIWPLWJAH-UHFFFAOYSA-N 1 1 521.456 4.804 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCCN2C[C@@H]3C[C@H]2CN3Cc2ccc(F)cc2)c2ccc(C)c(Cl)c2)CC1 ZINC000299858772 562892534 /nfs/dbraw/zinc/89/25/34/562892534.db2.gz UAGFQQUWGUKWFT-NSOVKSMOSA-N 1 1 541.111 4.728 1 0 KJAFMO COc1cc2oc(-c3ccc(OC(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000299859194 562892651 /nfs/dbraw/zinc/89/26/51/562892651.db2.gz FJZXVHORWNHJFF-UHFFFAOYSA-N 1 1 530.577 4.802 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(C(=O)c3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299859441 562892668 /nfs/dbraw/zinc/89/26/68/562892668.db2.gz XPECTIYHOMHYFI-JOCHJYFZSA-N 1 1 557.110 4.616 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@H+]2CCN(C(=O)c3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299859441 562892667 /nfs/dbraw/zinc/89/26/67/562892667.db2.gz XPECTIYHOMHYFI-JOCHJYFZSA-N 1 1 557.110 4.616 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299859445 562892752 /nfs/dbraw/zinc/89/27/52/562892752.db2.gz XPECTIYHOMHYFI-QFIPXVFZSA-N 1 1 557.110 4.616 1 0 KJAFMO CC(=O)N1CCC(C(=O)N(CCC[N@H+]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299859445 562892751 /nfs/dbraw/zinc/89/27/51/562892751.db2.gz XPECTIYHOMHYFI-QFIPXVFZSA-N 1 1 557.110 4.616 1 0 KJAFMO O=c1c2c(F)cc(C3CC3)cc2ccn1-c1cccc(-c2ncnc3[nH]c(C4=CC[N@H+](C5COC5)CC4)cc32)c1CO ZINC000299860035 562892882 /nfs/dbraw/zinc/89/28/82/562892882.db2.gz GJESDBCLIUWDLK-UHFFFAOYSA-N 1 1 563.633 4.926 1 0 KJAFMO O=c1c2c(F)cc(C3CC3)cc2ccn1-c1cccc(-c2ncnc3[nH]c(C4=CC[N@@H+](C5COC5)CC4)cc32)c1CO ZINC000299860035 562892881 /nfs/dbraw/zinc/89/28/81/562892881.db2.gz GJESDBCLIUWDLK-UHFFFAOYSA-N 1 1 563.633 4.926 1 0 KJAFMO NC(=O)c1ccccc1OCCC[N@@H+]1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC000299860609 562892998 /nfs/dbraw/zinc/89/29/98/562892998.db2.gz GUZVTLAJXNRRJR-UHFFFAOYSA-N 1 1 515.635 4.535 1 0 KJAFMO O=c1ccc2ccc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299863529 562893853 /nfs/dbraw/zinc/89/38/53/562893853.db2.gz PIWUWOLYFQAYGB-UHFFFAOYSA-N 1 1 512.654 4.719 1 0 KJAFMO O=c1ccc2ccc(OCCCN3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299864676 562894213 /nfs/dbraw/zinc/89/42/13/562894213.db2.gz RUDSZRKFTPRYSM-UHFFFAOYSA-N 1 1 512.654 4.719 1 0 KJAFMO CN1CC[NH+](Cc2cc3ccccc3n2-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CC1 ZINC000299868415 562895069 /nfs/dbraw/zinc/89/50/69/562895069.db2.gz ZWZIGZIGFWFBLR-DEOSSOPVSA-N 1 1 564.111 4.848 1 0 KJAFMO COc1cc2oc(-c3cccc(OC(=O)N4CC[NH+](Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000299869873 562895382 /nfs/dbraw/zinc/89/53/82/562895382.db2.gz VNYJQDGWKMJGHL-UHFFFAOYSA-N 1 1 530.577 4.802 1 0 KJAFMO COc1ccc2c(c1OC(=O)NCc1ccccc1)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000299870319 562895486 /nfs/dbraw/zinc/89/54/86/562895486.db2.gz WCGDWMYEODQDMA-PKTZIBPZSA-N 1 1 611.445 4.924 1 0 KJAFMO COc1ccc2c(c1OC(=O)NCc1ccccc1)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000299870319 562895485 /nfs/dbraw/zinc/89/54/85/562895485.db2.gz WCGDWMYEODQDMA-PKTZIBPZSA-N 1 1 611.445 4.924 1 0 KJAFMO Cc1cc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2cc(N)ccc2n1C ZINC000377848947 562896533 /nfs/dbraw/zinc/89/65/33/562896533.db2.gz XQIARJRJHXEBEZ-UHFFFAOYSA-O 1 1 504.618 4.704 1 0 KJAFMO C[N@H+]1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@@H](c2ccccc2)C1 ZINC000473081799 562896645 /nfs/dbraw/zinc/89/66/45/562896645.db2.gz DVTRVQNSMOJXCM-MUUNZHRXSA-N 1 1 625.803 4.953 1 0 KJAFMO C[N@@H+]1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@@H](c2ccccc2)C1 ZINC000473081799 562896644 /nfs/dbraw/zinc/89/66/44/562896644.db2.gz DVTRVQNSMOJXCM-MUUNZHRXSA-N 1 1 625.803 4.953 1 0 KJAFMO C[N@H+]1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@H](c2ccccc2)C1 ZINC000473081800 562896664 /nfs/dbraw/zinc/89/66/64/562896664.db2.gz DVTRVQNSMOJXCM-NDEPHWFRSA-N 1 1 625.803 4.953 1 0 KJAFMO C[N@@H+]1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@H](c2ccccc2)C1 ZINC000473081800 562896663 /nfs/dbraw/zinc/89/66/63/562896663.db2.gz DVTRVQNSMOJXCM-NDEPHWFRSA-N 1 1 625.803 4.953 1 0 KJAFMO O=c1sc2ccccc2n1CCCCCN1CC[NH+](CCCCn2c3ccccc3sc2=O)CC1 ZINC000473082026 562896690 /nfs/dbraw/zinc/89/66/90/562896690.db2.gz FIXGPVVBAHZXJS-UHFFFAOYSA-N 1 1 510.729 4.708 1 0 KJAFMO O=c1oc2ccccc2n1CCCCCCN1CC[NH+](CCCCCn2c3ccccc3oc2=O)CC1 ZINC000473084668 562896915 /nfs/dbraw/zinc/89/69/15/562896915.db2.gz TWFDQCONQMAKPA-UHFFFAOYSA-N 1 1 506.647 4.551 1 0 KJAFMO CCOC(=O)CCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473087264 562897177 /nfs/dbraw/zinc/89/71/77/562897177.db2.gz DXWNMQVLTDIFQX-MUUNZHRXSA-N 1 1 545.680 4.527 1 0 KJAFMO CCOC(=O)CCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473087266 562897161 /nfs/dbraw/zinc/89/71/61/562897161.db2.gz DXWNMQVLTDIFQX-NDEPHWFRSA-N 1 1 545.680 4.527 1 0 KJAFMO O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)OCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1 ZINC000473087439 562897182 /nfs/dbraw/zinc/89/71/82/562897182.db2.gz FLNRLXKRYFJZJQ-FTJBHMTQSA-N 1 1 503.986 4.766 1 0 KJAFMO CCOC(=O)[C@@H](C)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473090926 562897660 /nfs/dbraw/zinc/89/76/60/562897660.db2.gz QJITZIBKPFUXOB-DFHRPNOPSA-N 1 1 545.680 4.526 1 0 KJAFMO CCOC(=O)[C@H](C)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473090933 562897644 /nfs/dbraw/zinc/89/76/44/562897644.db2.gz QJITZIBKPFUXOB-DWACAAAGSA-N 1 1 545.680 4.526 1 0 KJAFMO CCOC(=O)[C@H](C)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473090936 562897664 /nfs/dbraw/zinc/89/76/64/562897664.db2.gz QJITZIBKPFUXOB-RBISFHTESA-N 1 1 545.680 4.526 1 0 KJAFMO CCOC(=O)[C@@H](C)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473090938 562897647 /nfs/dbraw/zinc/89/76/47/562897647.db2.gz QJITZIBKPFUXOB-SKCUWOTOSA-N 1 1 545.680 4.526 1 0 KJAFMO COC(=O)CCCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473094029 562897808 /nfs/dbraw/zinc/89/78/08/562897808.db2.gz VCELSWIWCPPQDI-GDLZYMKVSA-N 1 1 559.707 4.917 1 0 KJAFMO COC(=O)CCCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473094030 562897805 /nfs/dbraw/zinc/89/78/05/562897805.db2.gz VCELSWIWCPPQDI-LJAQVGFWSA-N 1 1 559.707 4.917 1 0 KJAFMO CCOC(=O)CCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473094791 562897832 /nfs/dbraw/zinc/89/78/32/562897832.db2.gz WDWKSVGJSAENFZ-GDLZYMKVSA-N 1 1 559.707 4.917 1 0 KJAFMO CCOC(=O)CCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473094793 562897819 /nfs/dbraw/zinc/89/78/19/562897819.db2.gz WDWKSVGJSAENFZ-LJAQVGFWSA-N 1 1 559.707 4.917 1 0 KJAFMO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C(=O)C1=O ZINC000473101468 562898102 /nfs/dbraw/zinc/89/81/02/562898102.db2.gz JPUARTFOHZKSCN-CDBYGCFJSA-N 1 1 721.943 4.910 1 0 KJAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCC(=O)Nc1ccc3[nH]ccc3c1)C2 ZINC000473106311 562898240 /nfs/dbraw/zinc/89/82/40/562898240.db2.gz WIPCMJXSXVWXKA-UUOHFWCXSA-N 1 1 501.627 4.901 1 0 KJAFMO CCCCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CC[NH+](C)CC5)nc(C)n4)s3)cc2)no1 ZINC000473109191 562898440 /nfs/dbraw/zinc/89/84/40/562898440.db2.gz QQHUJDHUHXTNQO-UHFFFAOYSA-N 1 1 547.689 4.800 1 0 KJAFMO O=C(NCC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2 ZINC000473110114 562898508 /nfs/dbraw/zinc/89/85/08/562898508.db2.gz UXVSPCRUHCDGHS-JOCHJYFZSA-N 1 1 510.465 4.868 1 0 KJAFMO O=C(NCC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2 ZINC000473110115 562898531 /nfs/dbraw/zinc/89/85/31/562898531.db2.gz UXVSPCRUHCDGHS-QFIPXVFZSA-N 1 1 510.465 4.868 1 0 KJAFMO O=C1Nc2ccccc2[C@@]12[N@@H+]1CCC[C@@H]1[C@@H](c1ccc(C(F)(F)F)cc1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473110529 562898514 /nfs/dbraw/zinc/89/85/14/562898514.db2.gz WRLFFWGEAXXYBF-SFUJYVBYSA-N 1 1 517.507 4.857 1 0 KJAFMO O=C1Nc2ccccc2[C@@]12[N@H+]1CCC[C@@H]1[C@@H](c1ccc(C(F)(F)F)cc1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473110529 562898513 /nfs/dbraw/zinc/89/85/13/562898513.db2.gz WRLFFWGEAXXYBF-SFUJYVBYSA-N 1 1 517.507 4.857 1 0 KJAFMO O=C1NC[C@@H](Cc2ccccc2)N(C[C@@H]2CCC[N@H+]2C[C@@H](CC2CCCCC2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000473121606 562899420 /nfs/dbraw/zinc/89/94/20/562899420.db2.gz QABDTPJMJYQBCF-KQQMQGIYSA-N 1 1 717.955 4.884 1 0 KJAFMO CCC[N@@H+](CCCNC(=O)OC(C)(C)C)CCc1cccc2c1CC(=O)N2CCCNC(=O)OC(C)(C)C ZINC000473125521 562899688 /nfs/dbraw/zinc/89/96/88/562899688.db2.gz QRCAJERBDVJCKJ-UHFFFAOYSA-N 1 1 532.726 4.660 1 0 KJAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCCN(C1CC[NH2+]CC1)C2 ZINC000473129784 562900053 /nfs/dbraw/zinc/90/00/53/562900053.db2.gz INPHYWINOJFIAJ-UHFFFAOYSA-N 1 1 585.174 4.730 1 0 KJAFMO CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000473134130 562900467 /nfs/dbraw/zinc/90/04/67/562900467.db2.gz FZDIMXLFHUBMEZ-KTLUODIZSA-N 1 1 503.614 4.656 1 0 KJAFMO CC[N@H+]1CCCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1 ZINC000473134239 562900512 /nfs/dbraw/zinc/90/05/12/562900512.db2.gz GYKCLKQWDUOGKZ-UHFFFAOYSA-N 1 1 530.094 4.998 1 0 KJAFMO CC[N@H+]1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2CC1 ZINC000473134784 562900555 /nfs/dbraw/zinc/90/05/55/562900555.db2.gz HULMBKWINBUXAH-UHFFFAOYSA-N 1 1 530.094 4.650 1 0 KJAFMO CC[N@H+]1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1 ZINC000473135166 562900648 /nfs/dbraw/zinc/90/06/48/562900648.db2.gz LXPOMXGDVJAVRC-UHFFFAOYSA-N 1 1 530.094 4.998 1 0 KJAFMO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000473136121 562900972 /nfs/dbraw/zinc/90/09/72/562900972.db2.gz XQTCPDAMWIGNQG-KTLUODIZSA-N 1 1 505.630 4.880 1 0 KJAFMO COc1ccc([C@@H](O)[C@@]2(C)C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(ccc5O)C[C@H]3[N@H+](CC3CC3)CC[C@]624)cc1 ZINC000473136233 562900982 /nfs/dbraw/zinc/90/09/82/562900982.db2.gz ZRDWOOPZQAVHOE-XOSCKEEYSA-N 1 1 517.666 4.749 1 0 KJAFMO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000473136243 562900980 /nfs/dbraw/zinc/90/09/80/562900980.db2.gz ZTGGBCGJFNFNKQ-KTLUODIZSA-N 1 1 505.630 4.880 1 0 KJAFMO C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c2c3c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)ccc2C(N)=O)CC1 ZINC000473136413 562901015 /nfs/dbraw/zinc/90/10/15/562901015.db2.gz RBAHQHAFZWLDGS-UHFFFAOYSA-N 1 1 549.606 4.866 1 0 KJAFMO CN(C)c1ccc(C(=O)Nc2cccc(-c3ccc(C(N)=O)c4[nH]c5cc(C(=O)N6CC[NH+](C)CC6)ccc5c43)c2F)cc1 ZINC000473137636 562901206 /nfs/dbraw/zinc/90/12/06/562901206.db2.gz YPXWUKLQAUBCPF-UHFFFAOYSA-N 1 1 592.675 4.932 1 0 KJAFMO CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000473144210 562901223 /nfs/dbraw/zinc/90/12/23/562901223.db2.gz ADWURTUVOMHDIA-UHFFFAOYSA-N 1 1 503.521 4.697 1 0 KJAFMO CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(NCCC[NH+]2CCOCC2)cc1 ZINC000473149185 562901489 /nfs/dbraw/zinc/90/14/89/562901489.db2.gz ITQPSSHZDKJILG-UHFFFAOYSA-N 1 1 502.537 4.730 1 0 KJAFMO CC(C)[C@](C)([NH2+]Cc1ccc2ncccc2c1)c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473152894 562901864 /nfs/dbraw/zinc/90/18/64/562901864.db2.gz WWSWXUCLNZWXKO-BTYSJIOQSA-N 1 1 621.657 4.668 1 0 KJAFMO CC(C)[C@](C)([NH2+]Cc1ccc2ncccc2c1)c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473152895 562901858 /nfs/dbraw/zinc/90/18/58/562901858.db2.gz WWSWXUCLNZWXKO-IADCTJSHSA-N 1 1 621.657 4.668 1 0 KJAFMO CC(C)[C@](C)([NH2+]Cc1ccc2occc2c1)c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473153695 562902042 /nfs/dbraw/zinc/90/20/42/562902042.db2.gz CLEDCFNOFQFOGX-KMRXNPHXSA-N 1 1 610.630 4.866 1 0 KJAFMO CC(C)[C@](C)([NH2+]Cc1ccc2occc2c1)c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473153696 562902046 /nfs/dbraw/zinc/90/20/46/562902046.db2.gz CLEDCFNOFQFOGX-PIKZIKFNSA-N 1 1 610.630 4.866 1 0 KJAFMO COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473164963 562902844 /nfs/dbraw/zinc/90/28/44/562902844.db2.gz IIKSJECAQBIROY-NYVOZVTQSA-N 1 1 524.061 4.931 1 0 KJAFMO COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473164964 562902898 /nfs/dbraw/zinc/90/28/98/562902898.db2.gz IIKSJECAQBIROY-STZQEDGTSA-N 1 1 524.061 4.931 1 0 KJAFMO CC(C)[C@](C)([NH2+]Cc1ccc2ncsc2c1)c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473168250 562903111 /nfs/dbraw/zinc/90/31/11/562903111.db2.gz LCNNMCFKBKHPHV-DCFHFQCYSA-N 1 1 627.686 4.729 1 0 KJAFMO CC(C)[C@](C)([NH2+]Cc1ccc2ncsc2c1)c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473168268 562903066 /nfs/dbraw/zinc/90/30/66/562903066.db2.gz LCNNMCFKBKHPHV-HRFSGMKKSA-N 1 1 627.686 4.729 1 0 KJAFMO O=S(=O)(N=c1nc[nH]s1)N1CCc2c(cccc2-c2c(Br)cc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC000473182945 562903551 /nfs/dbraw/zinc/90/35/51/562903551.db2.gz BPHPTRAVFDEGTB-UHFFFAOYSA-N 1 1 600.486 4.500 1 0 KJAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000473197534 562903667 /nfs/dbraw/zinc/90/36/67/562903667.db2.gz ALANNRUBNGLOLE-KKXDTOCCSA-N 1 1 515.441 4.725 1 0 KJAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000473199039 562903727 /nfs/dbraw/zinc/90/37/27/562903727.db2.gz WZRQIRXCUAPYSV-MHPIHPPYSA-N 1 1 525.024 4.616 1 0 KJAFMO C[NH+](C)C[C@H]1CC[C@H](Nc2c3cc(-c4cc(F)c(O)c(Cl)c4)ccc3ncc2S(C)(=O)=O)CC1 ZINC000473210139 562903806 /nfs/dbraw/zinc/90/38/06/562903806.db2.gz DTEIGJIUBBSQHA-RZDIXWSQSA-N 1 1 506.043 4.758 1 0 KJAFMO O=C([O-])C[NH+]1CCN(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215304 562903995 /nfs/dbraw/zinc/90/39/95/562903995.db2.gz ICQCOHCCXTZXCR-PVWDLEKUSA-N 1 1 519.734 4.765 1 0 KJAFMO O=C([O-])C[NH+]1CCN(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215352 562904020 /nfs/dbraw/zinc/90/40/20/562904020.db2.gz JTUOQQKUKUIYJU-OTZCPNHCSA-N 1 1 505.707 4.770 1 0 KJAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4C[C@@H](C)[N@H+](C)[C@@H](C)C4)cc2OCC3)n(C(C)C)n1 ZINC000473236423 562904662 /nfs/dbraw/zinc/90/46/62/562904662.db2.gz HMJRRWDLSULHRG-HATOLVCRSA-N 1 1 500.651 4.998 1 0 KJAFMO CC[N@@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000473243886 562904755 /nfs/dbraw/zinc/90/47/55/562904755.db2.gz DLHDVXKHPFNZCD-UHFFFAOYSA-N 1 1 506.651 4.911 1 0 KJAFMO CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3cccc4c3COC4)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000473244006 562904823 /nfs/dbraw/zinc/90/48/23/562904823.db2.gz HVJDCVDGPGBRLJ-KFIZHRIMSA-N 1 1 763.018 4.737 1 0 KJAFMO CC[N@@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000473245306 562904911 /nfs/dbraw/zinc/90/49/11/562904911.db2.gz XKYSFDBITLUFEN-UHFFFAOYSA-N 1 1 514.630 4.778 1 0 KJAFMO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccc(F)cc4)C(C)C)ccc3C2)cc1 ZINC000474602219 562905196 /nfs/dbraw/zinc/90/51/96/562905196.db2.gz AROJNSXAIBTZKZ-UHFFFAOYSA-N 1 1 523.674 4.522 1 0 KJAFMO COc1ccc(C[C@H]2c3ccc(OS(=O)(=O)c4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474605869 562905325 /nfs/dbraw/zinc/90/53/25/562905325.db2.gz GOKSNSBXMFNPIY-PMERELPUSA-N 1 1 586.710 4.930 1 0 KJAFMO COc1ccc(C[C@H]2c3ccc(OS(=O)(=O)c4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474605869 562905324 /nfs/dbraw/zinc/90/53/24/562905324.db2.gz GOKSNSBXMFNPIY-PMERELPUSA-N 1 1 586.710 4.930 1 0 KJAFMO COc1ccc(C[C@@H]2c3ccc(OS(=O)(=O)c4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474605881 562905382 /nfs/dbraw/zinc/90/53/82/562905382.db2.gz GOKSNSBXMFNPIY-SSEXGKCCSA-N 1 1 586.710 4.930 1 0 KJAFMO COc1ccc(C[C@@H]2c3ccc(OS(=O)(=O)c4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474605881 562905381 /nfs/dbraw/zinc/90/53/81/562905381.db2.gz GOKSNSBXMFNPIY-SSEXGKCCSA-N 1 1 586.710 4.930 1 0 KJAFMO Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccccc4)C(C)C)ccc3C2)c(C)c1 ZINC000474609491 562905588 /nfs/dbraw/zinc/90/55/88/562905588.db2.gz QLOPMFWLQWNBML-UHFFFAOYSA-N 1 1 533.738 4.999 1 0 KJAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3n[nH]c(-c4ccc(-c5nn[nH]n5)cc4)n3)ccc21 ZINC000474609708 562905657 /nfs/dbraw/zinc/90/56/57/562905657.db2.gz SXKKUUAHHRQZBD-NDEPHWFRSA-N 1 1 510.577 4.574 1 0 KJAFMO CCOC(=O)CCCOc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474609940 562905767 /nfs/dbraw/zinc/90/57/67/562905767.db2.gz XQRVCDZYLNZADD-GDLZYMKVSA-N 1 1 560.691 4.884 1 0 KJAFMO CCOC(=O)CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474609940 562905766 /nfs/dbraw/zinc/90/57/66/562905766.db2.gz XQRVCDZYLNZADD-GDLZYMKVSA-N 1 1 560.691 4.884 1 0 KJAFMO CCOC(=O)CCCOc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474609941 562905749 /nfs/dbraw/zinc/90/57/49/562905749.db2.gz XQRVCDZYLNZADD-LJAQVGFWSA-N 1 1 560.691 4.884 1 0 KJAFMO CCOC(=O)CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474609941 562905748 /nfs/dbraw/zinc/90/57/48/562905748.db2.gz XQRVCDZYLNZADD-LJAQVGFWSA-N 1 1 560.691 4.884 1 0 KJAFMO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccccc4)C(C)(C)C)ccc3C2)cc1 ZINC000474610009 562905792 /nfs/dbraw/zinc/90/57/92/562905792.db2.gz ZBSXODYSHLNGMN-UHFFFAOYSA-N 1 1 519.711 4.773 1 0 KJAFMO Cc1cc(-c2cc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)n[nH]2)ccc1NC(=O)Nc1cc(C(C)C)on1 ZINC000584904660 562905829 /nfs/dbraw/zinc/90/58/29/562905829.db2.gz DGTHZVANBQORTH-UHFFFAOYSA-N 1 1 556.671 5.140 1 0 in-vitro KJAFMO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CC[N@@H+](C)[C@@H](C)C3)n2)c1 ZINC000653665228 562906003 /nfs/dbraw/zinc/90/60/03/562906003.db2.gz JLGQDKDZERGMDQ-KRWDZBQOSA-N 1 1 504.616 4.635 1 0 KJAFMO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CC[N@H+](C)[C@@H](C)C3)n2)c1 ZINC000653665228 562906002 /nfs/dbraw/zinc/90/60/02/562906002.db2.gz JLGQDKDZERGMDQ-KRWDZBQOSA-N 1 1 504.616 4.635 1 0 KJAFMO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CC[N@@H+](C)[C@H](C)C3)n2)c1 ZINC000653665229 562905995 /nfs/dbraw/zinc/90/59/95/562905995.db2.gz JLGQDKDZERGMDQ-QGZVFWFLSA-N 1 1 504.616 4.635 1 0 KJAFMO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CC[N@H+](C)[C@H](C)C3)n2)c1 ZINC000653665229 562905994 /nfs/dbraw/zinc/90/59/94/562905994.db2.gz JLGQDKDZERGMDQ-QGZVFWFLSA-N 1 1 504.616 4.635 1 0 KJAFMO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CCC([NH+]4CCOCC4)CC3)n2)c1 ZINC000653668346 562906071 /nfs/dbraw/zinc/90/60/71/562906071.db2.gz KEFMZFKILVHXLH-UHFFFAOYSA-N 1 1 560.680 4.796 1 0 KJAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000653707423 562907888 /nfs/dbraw/zinc/90/78/88/562907888.db2.gz ODNMSCZTRWQCLL-UHFFFAOYSA-N 1 1 526.641 4.651 1 0 KJAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000653708701 562907999 /nfs/dbraw/zinc/90/79/99/562907999.db2.gz WDFJVNDHNAPLGF-UHFFFAOYSA-N 1 1 540.668 4.959 1 0 KJAFMO COc1ccc(C(=O)Nc2ccc(Nc3ncnc4cc(OCCC[NH+]5CCN(C)CC5)c(OC)cc43)cc2)cc1 ZINC000653712876 562908193 /nfs/dbraw/zinc/90/81/93/562908193.db2.gz YIQIIWTUQHYAID-UHFFFAOYSA-N 1 1 556.667 4.659 1 0 KJAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(NCCC[NH+]3CCOCC3)nc2N(C)C1=O ZINC000653720536 562908709 /nfs/dbraw/zinc/90/87/09/562908709.db2.gz FWVLVEFKMVXALX-UHFFFAOYSA-N 1 1 583.615 4.767 1 0 KJAFMO C[NH+]1CCN(C(=O)CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000653722834 562908832 /nfs/dbraw/zinc/90/88/32/562908832.db2.gz HVUDLUKJLSDQOP-UWXQCODUSA-N 1 1 766.984 4.622 1 0 KJAFMO COc1ccc(S(=O)(=O)NCC(C)(C)c2cccc3ccc(Br)cc32)cc1N1CC[NH+](C)CC1 ZINC000653724734 562908917 /nfs/dbraw/zinc/90/89/17/562908917.db2.gz HHQSQESJYDHJPT-UHFFFAOYSA-N 1 1 546.531 4.619 1 0 KJAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@@H]3CCCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)n1C ZINC000653726449 562909164 /nfs/dbraw/zinc/90/91/64/562909164.db2.gz LSEKXOSZIOVUOY-FXAWDEMLSA-N 1 1 506.598 4.880 1 0 KJAFMO Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(C(F)(F)F)cc2)n1C ZINC000653726450 562909139 /nfs/dbraw/zinc/90/91/39/562909139.db2.gz LSEKXOSZIOVUOY-PXNSSMCTSA-N 1 1 506.598 4.880 1 0 KJAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@H]3CCCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)n1C ZINC000653726451 562909166 /nfs/dbraw/zinc/90/91/66/562909166.db2.gz LSEKXOSZIOVUOY-XLIONFOSSA-N 1 1 506.598 4.880 1 0 KJAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@H]3CCCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)n1C ZINC000653726452 562909152 /nfs/dbraw/zinc/90/91/52/562909152.db2.gz LSEKXOSZIOVUOY-YLJYHZDGSA-N 1 1 506.598 4.880 1 0 KJAFMO O=C(Nc1cc(-c2cccnc2)nc(NCCC[NH+]2CCOCC2)n1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000653726556 562909176 /nfs/dbraw/zinc/90/91/76/562909176.db2.gz SWGHSHOUMNMZNI-UHFFFAOYSA-N 1 1 565.394 4.706 1 0 KJAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4F)[C@H]3C2)n1C ZINC000653730896 562909485 /nfs/dbraw/zinc/90/94/85/562909485.db2.gz YTXILLIRPDSLHZ-BEFAXECRSA-N 1 1 510.561 4.629 1 0 KJAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4F)[C@@H]3C2)n1C ZINC000653730897 562909475 /nfs/dbraw/zinc/90/94/75/562909475.db2.gz YTXILLIRPDSLHZ-DNVCBOLYSA-N 1 1 510.561 4.629 1 0 KJAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@@H]3CCN(c4ccc(C(F)(F)F)cc4F)[C@@H]3C2)n1C ZINC000653730898 562909482 /nfs/dbraw/zinc/90/94/82/562909482.db2.gz YTXILLIRPDSLHZ-HNAYVOBHSA-N 1 1 510.561 4.629 1 0 KJAFMO Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@H]3[C@@H](CCN3c3ccc(C(F)(F)F)cc3F)C2)n1C ZINC000653730899 562909456 /nfs/dbraw/zinc/90/94/56/562909456.db2.gz YTXILLIRPDSLHZ-KXBFYZLASA-N 1 1 510.561 4.629 1 0 KJAFMO CC[N@@H+](CCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653736149 562909679 /nfs/dbraw/zinc/90/96/79/562909679.db2.gz SAQJZZDISDDUPO-ZHACJKMWSA-N 1 1 504.627 4.900 1 0 KJAFMO COc1cc(/C=C/c2ccc(OCC(=O)NCCC[N@@H+](C)Cc3ccccc3OC)cc2)cc(OC)c1 ZINC000653737711 562909869 /nfs/dbraw/zinc/90/98/69/562909869.db2.gz FOWUIYPOOQKIFI-ZHACJKMWSA-N 1 1 504.627 4.900 1 0 KJAFMO O=S(=O)([N-]c1nccs1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1C1(F)C[NH2+]C1 ZINC000653743745 562910252 /nfs/dbraw/zinc/91/02/52/562910252.db2.gz HSAOOZKZRSLRJO-HNNXBMFYSA-N 1 1 513.538 4.645 1 0 KJAFMO O=S(=O)([N-]c1nccs1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1C1(F)C[NH2+]C1 ZINC000653743746 562910263 /nfs/dbraw/zinc/91/02/63/562910263.db2.gz HSAOOZKZRSLRJO-OAHLLOKOSA-N 1 1 513.538 4.645 1 0 KJAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3ncnc4sc(Br)c(-c5ccccc5)c43)CC2)C1 ZINC000653748694 562910486 /nfs/dbraw/zinc/91/04/86/562910486.db2.gz DMPDVWGBKSFQGK-IBGZPJMESA-N 1 1 500.510 4.973 1 0 KJAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3ncnc4sc(Br)c(-c5ccccc5)c43)CC2)C1 ZINC000653748696 562910551 /nfs/dbraw/zinc/91/05/51/562910551.db2.gz DMPDVWGBKSFQGK-LJQANCHMSA-N 1 1 500.510 4.973 1 0 KJAFMO C[NH+]1CCN(CC(=O)N2CCN(c3ccc(Nc4c(C(N)=O)cnc5ccc(-c6cnc7ccccc7c6)cc54)cc3C(F)(F)F)CC2)CC1 ZINC000653761883 562911366 /nfs/dbraw/zinc/91/13/66/562911366.db2.gz CEAFRZNOGGSIDV-UHFFFAOYSA-N 1 1 682.751 4.629 1 0 KJAFMO Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762405 562911430 /nfs/dbraw/zinc/91/14/30/562911430.db2.gz WZCPKLAFIXFELX-RUZDIDTESA-N 1 1 545.039 4.930 1 0 KJAFMO Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762406 562911420 /nfs/dbraw/zinc/91/14/20/562911420.db2.gz WZCPKLAFIXFELX-VWLOTQADSA-N 1 1 545.039 4.930 1 0 KJAFMO Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CC[NH+](C)CC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775390 562911869 /nfs/dbraw/zinc/91/18/69/562911869.db2.gz BKLDSUFVHGYTJL-UHFFFAOYSA-N 1 1 601.107 4.821 1 0 KJAFMO Cc1c[nH+]cn1-c1cc(C(=O)Nc2cccc(CNc3ccc4c(c3)n[nH]c4C(=O)N[C@@H](C)C(N)=O)c2)cc(C(F)(F)F)c1 ZINC000653792892 562912737 /nfs/dbraw/zinc/91/27/37/562912737.db2.gz KCKJDURDBLOYPJ-KRWDZBQOSA-N 1 1 604.593 4.544 1 0 KJAFMO COC(=O)c1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(C[NH+]5CCN(C)CC5)cc4)cc32)c1 ZINC000653794075 562912877 /nfs/dbraw/zinc/91/28/77/562912877.db2.gz GOVZIFWWQMXLOP-UHFFFAOYSA-N 1 1 525.613 4.551 1 0 KJAFMO Cn1c(SCCC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-n2cnnc2)cc1 ZINC000653799659 562913325 /nfs/dbraw/zinc/91/33/25/562913325.db2.gz IHKSAHBRVXUIPJ-JOCHJYFZSA-N 1 1 529.592 4.637 1 0 KJAFMO Cn1c(SCCC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-n2cnnc2)cc1 ZINC000653799659 562913324 /nfs/dbraw/zinc/91/33/24/562913324.db2.gz IHKSAHBRVXUIPJ-JOCHJYFZSA-N 1 1 529.592 4.637 1 0 KJAFMO Cn1c(SCCC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-n2cnnc2)cc1 ZINC000653799660 562913338 /nfs/dbraw/zinc/91/33/38/562913338.db2.gz IHKSAHBRVXUIPJ-QFIPXVFZSA-N 1 1 529.592 4.637 1 0 KJAFMO Cn1c(SCCC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-n2cnnc2)cc1 ZINC000653799660 562913337 /nfs/dbraw/zinc/91/33/37/562913337.db2.gz IHKSAHBRVXUIPJ-QFIPXVFZSA-N 1 1 529.592 4.637 1 0 KJAFMO Cc1nc2cc(Nc3nc(Nc4ccc(F)cc4)nc(N4CC[NH+](C)CC4)n3)ccc2n1Cc1ccccc1 ZINC000653799722 562913376 /nfs/dbraw/zinc/91/33/76/562913376.db2.gz ZPJGCXRVXZJXCO-UHFFFAOYSA-N 1 1 523.620 4.956 1 0 KJAFMO Cc1ccc(-c2cn(-c3ccc(CN4CC[NH+](C)CC4)cc3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653802011 562913441 /nfs/dbraw/zinc/91/34/41/562913441.db2.gz CTOUMIKCVOTXBI-UHFFFAOYSA-N 1 1 517.641 4.586 1 0 KJAFMO Cc1ccc(-c2cn(-c3ccc(C[NH+]4CCOCC4)cc3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653802060 562913446 /nfs/dbraw/zinc/91/34/46/562913446.db2.gz RUSAXVPZMANXDJ-UHFFFAOYSA-N 1 1 504.598 4.671 1 0 KJAFMO CN(C)c1cccc2c1cccc2S(=O)(=O)NC(=[NH2+])NCCCCCCCCN1CCCCCCCCNC(N)=NC1=O ZINC000653827921 562914465 /nfs/dbraw/zinc/91/44/65/562914465.db2.gz LTLSQDGVWQKPKD-UHFFFAOYSA-N 1 1 614.861 4.939 1 0 KJAFMO [NH3+][C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000653834583 562914649 /nfs/dbraw/zinc/91/46/49/562914649.db2.gz ZWZPNUQLMSAMMR-NPLHHVMXSA-N 1 1 638.609 4.780 1 0 KJAFMO CC(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)n[nH]3)cc2)no1 ZINC000653837694 562914734 /nfs/dbraw/zinc/91/47/34/562914734.db2.gz RUAXPITVQTVSAL-UHFFFAOYSA-N 1 1 542.644 4.832 1 0 KJAFMO [NH3+][C@H](C(=O)Nc1cccc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837901 562914799 /nfs/dbraw/zinc/91/47/99/562914799.db2.gz LQANTSXWUVNUGR-JWZKTCGFSA-N 1 1 602.629 4.502 1 0 KJAFMO NC(=O)c1ccc(OC(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc12 ZINC000653842749 562914916 /nfs/dbraw/zinc/91/49/16/562914916.db2.gz GFRVMVDESKRPSW-UHFFFAOYSA-N 1 1 515.441 4.936 1 0 KJAFMO COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])nnc2[C@@H](N)Cc2c[nH]c3ccccc23)cc1 ZINC000653842766 562914928 /nfs/dbraw/zinc/91/49/28/562914928.db2.gz MQLCJXCOIKRMFV-BHBYDHKZSA-N 1 1 590.732 4.677 1 0 KJAFMO COc1ccc(Cn2c([C@H](N)Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000653850985 562915545 /nfs/dbraw/zinc/91/55/45/562915545.db2.gz MQLCJXCOIKRMFV-POURPWNDSA-N 1 1 590.732 4.677 1 0 KJAFMO COc1cc(CCc2cc(Nc3ncnc4cc(N5CC[N@H+]6CCCC[C@@H]6C5)ccc43)n[nH]2)cc(OC)c1 ZINC000653854010 562915690 /nfs/dbraw/zinc/91/56/90/562915690.db2.gz OCMFTUJIRAAZFF-HSZRJFAPSA-N 1 1 513.646 4.573 1 0 KJAFMO COc1cc(CCc2cc(Nc3ncnc4cc(N5CC[N@H+]6CCCC[C@H]6C5)ccc43)n[nH]2)cc(OC)c1 ZINC000653854020 562915684 /nfs/dbraw/zinc/91/56/84/562915684.db2.gz OCMFTUJIRAAZFF-QHCPKHFHSA-N 1 1 513.646 4.573 1 0 KJAFMO O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653886946 562916980 /nfs/dbraw/zinc/91/69/80/562916980.db2.gz PXPWFLNVUKPHQM-CXQACEEJSA-N 1 1 505.625 4.919 1 0 KJAFMO O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653886946 562916979 /nfs/dbraw/zinc/91/69/79/562916979.db2.gz PXPWFLNVUKPHQM-CXQACEEJSA-N 1 1 505.625 4.919 1 0 KJAFMO Cn1c(=O)nc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)cc1N1CC[NH+](C)CC1 ZINC000653915951 562917848 /nfs/dbraw/zinc/91/78/48/562917848.db2.gz FFUJWARHMSHZEP-UHFFFAOYSA-N 1 1 544.908 4.854 1 0 KJAFMO CCO[C@@H]1OC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=C[C@H](c2csc3ccccc32)[C@H]1CCCO ZINC000013634612 561722175 /nfs/dbraw/zinc/72/21/75/561722175.db2.gz RHQPDZCTKOVIKR-UNHDOIQYSA-N 1 1 520.695 4.995 3 0 KJAFMO O=C(C1=C[C@H](c2csc3ccccc32)C[C@H](OCCCCO)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013634651 561722187 /nfs/dbraw/zinc/72/21/87/561722187.db2.gz PQEFSWUTJPGHQA-NEKDWFFYSA-N 1 1 506.668 4.749 3 0 KJAFMO O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013634691 561722141 /nfs/dbraw/zinc/72/21/41/561722141.db2.gz MYHGUVBHLVZSTN-JYFHCDHNSA-N 1 1 518.576 4.553 3 0 KJAFMO O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013634745 561722129 /nfs/dbraw/zinc/72/21/29/561722129.db2.gz MYHGUVBHLVZSTN-BVAGGSTKSA-N 1 1 518.576 4.553 3 0 KJAFMO O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013634761 561722107 /nfs/dbraw/zinc/72/21/07/561722107.db2.gz DAOVZNHVXCJTAS-DGPALRBDSA-N 1 1 504.671 4.867 3 0 KJAFMO O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013656753 561723251 /nfs/dbraw/zinc/72/32/51/561723251.db2.gz DAOVZNHVXCJTAS-MFMCTBQISA-N 1 1 504.671 4.867 3 0 KJAFMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000015879194 561753105 /nfs/dbraw/zinc/75/31/05/561753105.db2.gz QXJZJTVRRJJGAB-XQUOZVEWSA-N 1 1 519.642 4.757 3 0 KJAFMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000015879196 561753100 /nfs/dbraw/zinc/75/31/00/561753100.db2.gz QXJZJTVRRJJGAB-JTHIVGNPSA-N 1 1 519.642 4.757 3 0 KJAFMO CCO[C@@H]1OC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000017527416 561755319 /nfs/dbraw/zinc/75/53/19/561755319.db2.gz RKTAVQJMPBYOOQ-INNMJMHTSA-N 1 1 532.603 4.799 3 0 KJAFMO CCO[C@@H]1OC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO ZINC000017527418 561755343 /nfs/dbraw/zinc/75/53/43/561755343.db2.gz ISIDFHKZRQTHEA-INNMJMHTSA-N 1 1 543.502 4.543 3 0 KJAFMO CCO[C@H]1OC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000017544952 561755743 /nfs/dbraw/zinc/75/57/43/561755743.db2.gz RKTAVQJMPBYOOQ-VBOOUTDYSA-N 1 1 532.603 4.799 3 0 KJAFMO CCOc1ccc(CN2c3cc(C(=O)NCCC[NH+]4CCOCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000020211628 561758673 /nfs/dbraw/zinc/75/86/73/561758673.db2.gz YGEBRIQWQRFVLB-UHFFFAOYSA-N 1 1 531.678 4.849 3 0 KJAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C(=O)OC)CCCC[N@@H+]1[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000036386495 562060074 /nfs/dbraw/zinc/06/00/74/562060074.db2.gz MHBQFVYAAJGZPT-BILGYAHESA-N 1 1 501.410 4.734 3 0 KJAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C(=O)OC)CCCC[N@@H+]1[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000038144581 562064041 /nfs/dbraw/zinc/06/40/41/562064041.db2.gz JJEIFRDWZHBNQT-ANAFOTAVSA-N 1 1 531.436 4.743 3 0 KJAFMO CCc1[nH+]c2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(C)CCCc1ccccc1 ZINC000061897181 562702913 /nfs/dbraw/zinc/70/29/13/562702913.db2.gz RDIYBCZYNPNRHV-UHFFFAOYSA-N 1 1 505.644 4.590 3 0 KJAFMO COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000061923651 562703489 /nfs/dbraw/zinc/70/34/89/562703489.db2.gz JEOHSRSFZWJSOZ-PKTNWEFCSA-N 1 1 504.631 4.573 3 0 KJAFMO O=C(OCc1cn([C@H]2C[N@H+](Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923670 562703509 /nfs/dbraw/zinc/70/35/09/562703509.db2.gz FUXCQDIAOOJVLO-DSITVLBTSA-N 1 1 509.031 4.899 3 0 KJAFMO O=C(OCc1cn([C@H]2C[N@@H+](Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923670 562703508 /nfs/dbraw/zinc/70/35/08/562703508.db2.gz FUXCQDIAOOJVLO-DSITVLBTSA-N 1 1 509.031 4.899 3 0 KJAFMO COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2CC2CCCCC2)cc1 ZINC000061923774 562703530 /nfs/dbraw/zinc/70/35/30/562703530.db2.gz JEOHSRSFZWJSOZ-JCYYIGJDSA-N 1 1 504.631 4.573 3 0 KJAFMO O=C(OCc1cn([C@@H]2C[N@H+](Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923792 562703564 /nfs/dbraw/zinc/70/35/64/562703564.db2.gz FUXCQDIAOOJVLO-UBFVSLLYSA-N 1 1 509.031 4.899 3 0 KJAFMO O=C(OCc1cn([C@@H]2C[N@@H+](Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923792 562703563 /nfs/dbraw/zinc/70/35/63/562703563.db2.gz FUXCQDIAOOJVLO-UBFVSLLYSA-N 1 1 509.031 4.899 3 0 KJAFMO COc1ccc([C@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000061923826 562703528 /nfs/dbraw/zinc/70/35/28/562703528.db2.gz LBFIANPTQSJRPJ-PKTNWEFCSA-N 1 1 504.631 4.573 3 0 KJAFMO O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)[N@H+](Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923846 562703540 /nfs/dbraw/zinc/70/35/40/562703540.db2.gz XTVGMFVZOGSPBB-DSITVLBTSA-N 1 1 509.031 4.899 3 0 KJAFMO O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)[N@@H+](Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923846 562703539 /nfs/dbraw/zinc/70/35/39/562703539.db2.gz XTVGMFVZOGSPBB-DSITVLBTSA-N 1 1 509.031 4.899 3 0 KJAFMO COc1ccc([C@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)C[N@H+]2CC2CCCCC2)cc1 ZINC000061923929 562703521 /nfs/dbraw/zinc/70/35/21/562703521.db2.gz LBFIANPTQSJRPJ-JCYYIGJDSA-N 1 1 504.631 4.573 3 0 KJAFMO O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)[N@H+](Cc3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923956 562703559 /nfs/dbraw/zinc/70/35/59/562703559.db2.gz XTVGMFVZOGSPBB-UBFVSLLYSA-N 1 1 509.031 4.899 3 0 KJAFMO O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)[N@@H+](Cc3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923956 562703558 /nfs/dbraw/zinc/70/35/58/562703558.db2.gz XTVGMFVZOGSPBB-UBFVSLLYSA-N 1 1 509.031 4.899 3 0 KJAFMO CCc1[nH+]c2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)Cc1ccc(OC)c(OC)c1 ZINC000061926809 562703581 /nfs/dbraw/zinc/70/35/81/562703581.db2.gz NSWVKGFIUGXYLX-UHFFFAOYSA-N 1 1 532.641 4.758 3 0 KJAFMO COCCN(Cc1ccc(OC)cc1)c1c(C)[nH+]c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn21 ZINC000061929437 562703640 /nfs/dbraw/zinc/70/36/40/562703640.db2.gz ADMFRSNIOIYBON-UHFFFAOYSA-N 1 1 511.626 4.758 3 0 KJAFMO COCCN(Cc1ccc(OC)cc1)c1c(C)[nH+]c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn21 ZINC000061930117 562703648 /nfs/dbraw/zinc/70/36/48/562703648.db2.gz KHZTWBSYRCVBIJ-UHFFFAOYSA-N 1 1 501.587 4.515 3 0 KJAFMO CCc1[nH+]c2ccc(C(=O)NCCCn3ccnc3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061930611 562703644 /nfs/dbraw/zinc/70/36/44/562703644.db2.gz UULUZUDNXGQPCA-UHFFFAOYSA-N 1 1 509.452 4.702 3 0 KJAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000061947869 562704166 /nfs/dbraw/zinc/70/41/66/562704166.db2.gz DECOGQNLOVPDNQ-VPYPWEPUSA-N 1 1 513.723 4.938 3 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000061948286 562704220 /nfs/dbraw/zinc/70/42/20/562704220.db2.gz NUNMIMCKNUQLOZ-OREGWCPLSA-N 1 1 507.675 4.558 3 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCC(F)(F)F)cccc2C1=O ZINC000061948288 562704186 /nfs/dbraw/zinc/70/41/86/562704186.db2.gz JKUODKPKOBRJKI-YCRNBWNJSA-N 1 1 527.628 4.700 3 0 KJAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CC3)cc2C1=O ZINC000064700342 562709022 /nfs/dbraw/zinc/70/90/22/562709022.db2.gz VNYVSUGQMFYEBM-LEHBWIKQSA-N 1 1 534.484 4.694 3 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000064700424 562709013 /nfs/dbraw/zinc/70/90/13/562709013.db2.gz VDGBRVCPPABHPH-SXDGJLEOSA-N 1 1 521.702 4.600 3 0 KJAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000066114583 562712358 /nfs/dbraw/zinc/71/23/58/562712358.db2.gz UGRDOVSHCAWOGO-PFPZSTESSA-N 1 1 546.668 4.691 3 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000066124394 562712725 /nfs/dbraw/zinc/71/27/25/562712725.db2.gz MNMLFFQUHHOZKL-OBWXTZQISA-N 1 1 534.484 4.694 3 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000066129213 562712890 /nfs/dbraw/zinc/71/28/90/562712890.db2.gz WNVHVMARWFEBOU-GNBJCERTSA-N 1 1 571.505 4.993 3 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000066138966 562713377 /nfs/dbraw/zinc/71/33/77/562713377.db2.gz RADAEONKDPBXEH-ISCCLHIJSA-N 1 1 534.632 4.822 3 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000066139172 562713439 /nfs/dbraw/zinc/71/34/39/562713439.db2.gz NHGRAHAVFNGAOG-GTNJKRJXSA-N 1 1 534.632 4.822 3 0 KJAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000066147733 562713559 /nfs/dbraw/zinc/71/35/59/562713559.db2.gz HRGUGGLIAJBQAH-YHGPEZAFSA-N 1 1 578.175 4.873 3 0 KJAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000066148726 562713683 /nfs/dbraw/zinc/71/36/83/562713683.db2.gz LVXBRBUTRZQNTO-GNBJCERTSA-N 1 1 578.537 4.711 3 0 KJAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000066166902 562714159 /nfs/dbraw/zinc/71/41/59/562714159.db2.gz 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KKQGJNMYLIDDHN-CASQCGHMSA-N 1 1 517.637 4.640 3 0 KJAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000072127668 562725774 /nfs/dbraw/zinc/72/57/74/562725774.db2.gz CLIHWMVBJWOFHW-BSUMSBOOSA-N 1 1 717.955 4.884 3 0 KJAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000072131663 562726721 /nfs/dbraw/zinc/72/67/21/562726721.db2.gz BZHLJASDENBEQM-HQPLKVBUSA-N 1 1 683.938 4.688 3 0 KJAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000072134133 562727212 /nfs/dbraw/zinc/72/72/12/562727212.db2.gz HUXRHDPNLCAMHC-QRIZJJBVSA-N 1 1 733.954 4.590 3 0 KJAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000072134198 562727256 /nfs/dbraw/zinc/72/72/56/562727256.db2.gz PCQUQGVRNGKKJE-NOMHHCBYSA-N 1 1 578.175 4.873 3 0 KJAFMO 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