smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1NC(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+][C@H](C)[C@H](C)N5)cc4)cc3)cc2)=[NH+][C@H]1C ZINC000001596509 561677712 /nfs/dbraw/zinc/67/77/12/561677712.db2.gz OTOMHKCCBNJVCK-FGYAAKKASA-N 2 0 508.626 4.445 1 0 KIAFRP COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@@]31CC[C@@]2(C[C@@H]3c4c2c(O)c(OC)cc4CC[N@H+]3C)C[C@@H]1OC ZINC000001618657 561677811 /nfs/dbraw/zinc/67/78/11/561677811.db2.gz ZEQJFLRBPFWVDX-RYXXLZIISA-N 2 0 533.669 4.310 1 0 KIAFRP O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cccc2c(C(=O)Nc3ccc(C4=[NH+]CCN4)cc3)cccc12 ZINC000001687844 561679384 /nfs/dbraw/zinc/67/93/84/561679384.db2.gz LQHULKPJSQSXOB-UHFFFAOYSA-N 2 0 502.578 4.044 1 0 KIAFRP O=C(Nc1ccc(C2=[NH+]CCN2)c(Cl)c1)c1cccc(C(=O)Nc2ccc(C3=[NH+]CCN3)c(Cl)c2)c1 ZINC000001689096 561679364 /nfs/dbraw/zinc/67/93/64/561679364.db2.gz DYEUTYAAUNSQHI-UHFFFAOYSA-N 2 0 521.408 4.198 1 0 KIAFRP Cc1cccc2c1c(Br)c(C(=O)NCc1cccc(C(N)=[NH2+])c1)n2Cc1cccc(C(N)=[NH2+])c1 ZINC000003831920 561683537 /nfs/dbraw/zinc/68/35/37/561683537.db2.gz JBQWITKJQABBAY-UHFFFAOYSA-N 2 0 517.431 4.259 1 0 KIAFRP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@H]5O4 ZINC000003914584 561684540 /nfs/dbraw/zinc/68/45/40/561684540.db2.gz HDKIEIZPXNNDMH-IWRYZOJTSA-N 2 0 675.826 4.127 1 0 KIAFRP COCCCNC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NCCCOC)cc3)cc2)cc1 ZINC000004758080 561695312 /nfs/dbraw/zinc/69/53/12/561695312.db2.gz GNYPJYIKILDIJZ-UHFFFAOYSA-N 2 0 544.656 4.094 1 0 KIAFRP C[C@H]1[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+][C@@H](C)[C@H](C)N5)cc4)cc3)cc2)N[C@H]1C ZINC000004896486 561695573 /nfs/dbraw/zinc/69/55/73/561695573.db2.gz OTOMHKCCBNJVCK-LWYYNNOASA-N 2 0 508.626 4.445 1 0 KIAFRP C[C@H]1NC(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+][C@H](C)[C@H](C)N5)cc4)cc3)cc2)=[NH+][C@@H]1C ZINC000004896487 561695502 /nfs/dbraw/zinc/69/55/02/561695502.db2.gz OTOMHKCCBNJVCK-WTGUMLROSA-N 2 0 508.626 4.445 1 0 KIAFRP COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@@]31CC[C@@]2(C[C@H]3c4c2c(O)c(OC)cc4CC[N@H+]3C)C[C@@H]1OC ZINC000005882768 561699789 /nfs/dbraw/zinc/69/97/89/561699789.db2.gz ZEQJFLRBPFWVDX-ZBUNTEAJSA-N 2 0 533.669 4.310 1 0 KIAFRP C[C@@H]1C[NH+]=C(c2ccc(C[NH+]3CCC(C4CC[NH+](Cc5ccc(C6=[NH+]C[C@@H](C)N6)cc5)CC4)CC3)cc2)N1 ZINC000006019539 561702042 /nfs/dbraw/zinc/70/20/42/561702042.db2.gz LDDQQSKKWZHBHX-DNQXCXABSA-N 4 0 512.746 4.287 1 0 KIAFRP C[C@@H]1C[NH+]=C(c2ccc(C[NH+]3CCC(C4CC[NH+](Cc5ccc(C6=[NH+]C[C@H](C)N6)cc5)CC4)CC3)cc2)N1 ZINC000006019542 561702040 /nfs/dbraw/zinc/70/20/40/561702040.db2.gz LDDQQSKKWZHBHX-PSWAGMNNSA-N 4 0 512.746 4.287 1 0 KIAFRP C[C@H]1C[NH+]=C(c2ccc(C[NH+]3CCC(C4CC[NH+](Cc5ccc(C6=[NH+]C[C@H](C)N6)cc5)CC4)CC3)cc2)N1 ZINC000006019548 561701975 /nfs/dbraw/zinc/70/19/75/561701975.db2.gz LDDQQSKKWZHBHX-ZEQRLZLVSA-N 4 0 512.746 4.287 1 0 KIAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000006716463 561702955 /nfs/dbraw/zinc/70/29/55/561702955.db2.gz KKBPPVVSQKSKNV-AREMUKBSSA-N 2 0 588.605 4.112 1 0 KIAFRP [NH3+]CCc1c[nH]c2c1c(-c1c3c(CC[NH3+])c[nH]c3c(O)cc1Br)c(Br)cc2O ZINC000013434713 561711857 /nfs/dbraw/zinc/71/18/57/561711857.db2.gz WOFRPUHHIHPQGR-UHFFFAOYSA-N 2 0 508.214 4.255 1 0 KIAFRP COc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439443 561712402 /nfs/dbraw/zinc/71/24/02/561712402.db2.gz QEMYWIPVNFBRSI-HHHXNRCGSA-N 2 0 521.727 4.376 1 0 KIAFRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439447 561712390 /nfs/dbraw/zinc/71/23/90/561712390.db2.gz QEMYWIPVNFBRSI-MHZLTWQESA-N 2 0 521.727 4.376 1 0 KIAFRP COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](CC(C)C)NC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000013443032 561713014 /nfs/dbraw/zinc/71/30/14/561713014.db2.gz RFHXKRXZCSWUOX-KAYWLYCHSA-N 2 0 500.643 4.273 1 0 KIAFRP CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3ccc(-c4cccc(C(N)=[NH2+])c4)cc3)S(C)(=O)=O)cc2)CC1 ZINC000013487641 561715282 /nfs/dbraw/zinc/71/52/82/561715282.db2.gz OUOZXPKTQRWQGD-UHFFFAOYSA-N 2 0 519.671 4.444 1 0 KIAFRP CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3ccccc3-c3cccc(C(N)=[NH2+])c3)S(C)(=O)=O)cc2)CC1 ZINC000013487642 561715241 /nfs/dbraw/zinc/71/52/41/561715241.db2.gz SAJZWUHSNFZVPD-UHFFFAOYSA-N 2 0 519.671 4.444 1 0 KIAFRP CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3ccccc3-c3ccc(C(N)=[NH2+])cc3)S(C)(=O)=O)cc2)CC1 ZINC000013487643 561715244 /nfs/dbraw/zinc/71/52/44/561715244.db2.gz JHTUMDZXPBZMDQ-UHFFFAOYSA-N 2 0 519.671 4.444 1 0 KIAFRP CCC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000013493035 561716504 /nfs/dbraw/zinc/71/65/04/561716504.db2.gz UMKFEBPIMJKDEA-CTZUUEIXSA-N 2 0 512.654 4.092 1 0 KIAFRP Cc1c(C)c(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])C(c2ccccc2)c2ccccc2)c(C)c(C)c1C[NH3+] ZINC000013779036 561728772 /nfs/dbraw/zinc/72/87/72/561728772.db2.gz WQVNIMGPTXTIGL-MFMCTBQISA-N 2 0 512.698 4.146 1 0 KIAFRP COc1ccc(NC(=O)N2CC[NH+](CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CC[NH+](C)CC1 ZINC000013806212 561731390 /nfs/dbraw/zinc/73/13/90/561731390.db2.gz RXGJIWBUJGUKEZ-UHFFFAOYSA-N 2 0 522.669 4.240 1 0 KIAFRP COc1ccc(NC(=O)NCC[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1N1CC[NH+](C)CC1 ZINC000013806224 561731339 /nfs/dbraw/zinc/73/13/39/561731339.db2.gz FBHJLENKHMRXEZ-UHFFFAOYSA-N 2 0 508.642 4.069 1 0 KIAFRP COc1cccc2c1cc(C(=O)NCc1ccc(-c3cc[n+](C)cc3)cc1)n2Cc1cccc(C(N)=[NH2+])c1 ZINC000014954008 561746838 /nfs/dbraw/zinc/74/68/38/561746838.db2.gz QOGWVVKYAKRDMT-UHFFFAOYSA-O 2 0 504.614 4.404 1 0 KIAFRP CC[C@H](C)C(=O)N[C@H]1CC=C2C[C@H]3C(=O)C[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)C[NH3+] ZINC000014969960 561750959 /nfs/dbraw/zinc/75/09/59/561750959.db2.gz AUUQYFVHVIKAAD-JYEUPPAVSA-N 2 0 515.783 4.161 1 0 KIAFRP CC(C)[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000014986453 561752805 /nfs/dbraw/zinc/75/28/05/561752805.db2.gz WORVRXHLXJLCDN-WNCULLNHSA-N 2 0 537.715 4.259 1 0 KIAFRP O=C1NCN(c2ccccc2)C12CC[NH+](CCCN1CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC1)CC2 ZINC000022860064 561759598 /nfs/dbraw/zinc/75/95/98/561759598.db2.gz ZJPCTJQUIYMFHV-UHFFFAOYSA-N 2 0 567.778 4.229 1 0 KIAFRP CNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccc(Cl)c(CN4CC[NH+](C)CC4)c2)n3C)ccn1 ZINC000022878358 561759502 /nfs/dbraw/zinc/75/95/02/561759502.db2.gz WGONGMOZFNXPIC-UHFFFAOYSA-N 2 0 520.037 4.265 1 0 KIAFRP O=C1CC[C@](CC[NH+]2CC(N3CC[NH2+]CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927740 561759931 /nfs/dbraw/zinc/75/99/31/561759931.db2.gz DBKZTQXVXUMAQV-HHHXNRCGSA-N 2 0 501.502 4.033 1 0 KIAFRP O=C1CC[C@@](CC[NH+]2CC(N3CC[NH2+]CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927745 561759929 /nfs/dbraw/zinc/75/99/29/561759929.db2.gz DBKZTQXVXUMAQV-MHZLTWQESA-N 2 0 501.502 4.033 1 0 KIAFRP CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(Cl)c(CN5CC[NH+](C)CC5)c4)[nH+]c3c2)ccn1 ZINC000023359451 561762202 /nfs/dbraw/zinc/76/22/02/561762202.db2.gz IAEHNTOVVLQNQX-UHFFFAOYSA-N 2 0 506.010 4.254 1 0 KIAFRP O=C(CC[NH+]1CCCC[C@H]1CCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3CCO)ccc1-2 ZINC000026579133 561804222 /nfs/dbraw/zinc/80/42/22/561804222.db2.gz WOFJHYYVUMFSQF-WMPKNSHKSA-N 2 0 576.738 4.029 1 0 KIAFRP O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3CCO)ccc1-2 ZINC000026579134 561804179 /nfs/dbraw/zinc/80/41/79/561804179.db2.gz WOFJHYYVUMFSQF-CLJLJLNGSA-N 2 0 576.738 4.029 1 0 KIAFRP CSC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026674663 561813596 /nfs/dbraw/zinc/81/35/96/561813596.db2.gz GAGHIAAADSEPRP-NZHOUOPXSA-N 2 0 502.640 4.282 1 0 KIAFRP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@H]([NH3+])Cc4ccc(O)cc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026847291 561826826 /nfs/dbraw/zinc/82/68/26/561826826.db2.gz QMQONIJKFSQSNN-ZWXJPIIXSA-N 2 0 666.650 4.492 1 0 KIAFRP CCCC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026954084 561829084 /nfs/dbraw/zinc/82/90/84/561829084.db2.gz UMPFOWXMGXYTIF-DZVDWBIPSA-N 2 0 526.681 4.482 1 0 KIAFRP C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nc2cc3nc(NC(=O)C[NH2+][C@@H]4CCC[C@@H]4C)sc3cc2s1 ZINC000027110156 561841361 /nfs/dbraw/zinc/84/13/61/561841361.db2.gz MENUJGVUFZFKQC-SYMSYNOKSA-N 2 0 500.694 4.339 1 0 KIAFRP CCN(C(=O)C[NH+](CC)CC)c1nc2cc3nc(N(CC)C(=O)C[NH+](CC)CC)sc3cc2s1 ZINC000027191107 561843517 /nfs/dbraw/zinc/84/35/17/561843517.db2.gz QJQAGRZOPVWSRI-UHFFFAOYSA-N 2 0 504.726 4.295 1 0 KIAFRP [NH3+]Cc1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@H](COCc2ccccc2)OCc2ccc(C[NH3+])cc2)cc1 ZINC000027191646 561843664 /nfs/dbraw/zinc/84/36/64/561843664.db2.gz QBWLXOCQPOYMME-IYMPVJEUSA-N 2 0 600.756 4.230 1 0 KIAFRP [NH3+]Cc1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C[NH3+])cc2)cc1 ZINC000027191652 561843669 /nfs/dbraw/zinc/84/36/69/561843669.db2.gz QBWLXOCQPOYMME-ACYSOYCRSA-N 2 0 600.756 4.230 1 0 KIAFRP [NH3+]Cc1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@H](COCc2ccccc2)OCc2ccc(C[NH3+])cc2)cc1 ZINC000027191657 561843627 /nfs/dbraw/zinc/84/36/27/561843627.db2.gz QBWLXOCQPOYMME-WLPVSNDTSA-N 2 0 600.756 4.230 1 0 KIAFRP [NH3+]Cc1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C[NH3+])cc2)cc1 ZINC000027191663 561843645 /nfs/dbraw/zinc/84/36/45/561843645.db2.gz QBWLXOCQPOYMME-NWJWHWDBSA-N 2 0 600.756 4.230 1 0 KIAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027214671 561848061 /nfs/dbraw/zinc/84/80/61/561848061.db2.gz VLOYTQPFWGGMKU-IQKFOVTFSA-N 2 0 591.709 4.450 1 0 in-vivo KIAFRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027415398 561857078 /nfs/dbraw/zinc/85/70/78/561857078.db2.gz KFRZKOUCOUFIIC-WYFBSPMASA-N 2 0 661.844 4.411 1 0 KIAFRP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027415404 561857083 /nfs/dbraw/zinc/85/70/83/561857083.db2.gz KFRZKOUCOUFIIC-LFAHRRIWSA-N 2 0 661.844 4.411 1 0 KIAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027550591 561867910 /nfs/dbraw/zinc/86/79/10/561867910.db2.gz JMWBXYKHUPFCLZ-MUUNZHRXSA-N 2 0 553.654 4.278 1 0 KIAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027550594 561867915 /nfs/dbraw/zinc/86/79/15/561867915.db2.gz JMWBXYKHUPFCLZ-NDEPHWFRSA-N 2 0 553.654 4.278 1 0 KIAFRP CCOC(=O)[C@@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(=[NH2+])c3ccc(OC)cc3)CC2)cc1 ZINC000027551648 561868179 /nfs/dbraw/zinc/86/81/79/561868179.db2.gz OIZIPNKDGRHAPV-PMERELPUSA-N 2 0 585.705 4.499 1 0 KIAFRP CCOC(=O)CS(=O)(=O)N(Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1)c1ccc(OC2CCN(C(C)=[NH2+])CC2)cc1 ZINC000027645334 561875691 /nfs/dbraw/zinc/87/56/91/561875691.db2.gz UJQWCBQYZMZVED-UHFFFAOYSA-N 2 0 591.734 4.378 1 0 KIAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027850021 561885939 /nfs/dbraw/zinc/88/59/39/561885939.db2.gz HFKOVWNTQPGKAA-HNRBIFIRSA-N 2 0 586.774 4.080 1 0 KIAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027850024 561885960 /nfs/dbraw/zinc/88/59/60/561885960.db2.gz HFKOVWNTQPGKAA-NSOVKSMOSA-N 2 0 586.774 4.080 1 0 KIAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027850031 561885955 /nfs/dbraw/zinc/88/59/55/561885955.db2.gz HFKOVWNTQPGKAA-VSGBNLITSA-N 2 0 586.774 4.080 1 0 KIAFRP CCOC(=O)COc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027863817 561887433 /nfs/dbraw/zinc/88/74/33/561887433.db2.gz OPAXHYJUSCNJMJ-GDLZYMKVSA-N 2 0 593.790 4.309 1 0 KIAFRP CCOC(=O)COc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027863824 561887464 /nfs/dbraw/zinc/88/74/64/561887464.db2.gz OPAXHYJUSCNJMJ-LJAQVGFWSA-N 2 0 593.790 4.309 1 0 KIAFRP COc1cc2c(cc1OC)C[C@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027864690 561887546 /nfs/dbraw/zinc/88/75/46/561887546.db2.gz JQVWVHVZZVCIDS-HHHXNRCGSA-N 2 0 551.753 4.385 1 0 KIAFRP COc1cc2c(cc1OC)C[C@@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027864699 561887538 /nfs/dbraw/zinc/88/75/38/561887538.db2.gz JQVWVHVZZVCIDS-MHZLTWQESA-N 2 0 551.753 4.385 1 0 KIAFRP Cc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c2)ccc1C(=O)Nc1cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c1 ZINC000027881308 561889177 /nfs/dbraw/zinc/88/91/77/561889177.db2.gz BWLXASBBMDBPNG-UHFFFAOYSA-N 2 0 674.851 4.307 1 0 KIAFRP COc1ccc2c(c1)[C@](O)(C[NH2+]CCC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027885627 561889418 /nfs/dbraw/zinc/88/94/18/561889418.db2.gz YZSVCBZUOHOGLB-WJOKGBTCSA-N 2 0 551.753 4.043 1 0 KIAFRP COc1ccc2c(c1)[C@@](O)(C[NH2+]CCC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027885634 561889472 /nfs/dbraw/zinc/88/94/72/561889472.db2.gz YZSVCBZUOHOGLB-HKBQPEDESA-N 2 0 551.753 4.043 1 0 KIAFRP C[NH2+]CCOc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OCC[NH2+]C)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1 ZINC000027897395 561890605 /nfs/dbraw/zinc/89/06/05/561890605.db2.gz RQGOZGUHFFHTEO-RNATXAOGSA-N 2 0 652.836 4.265 1 0 KIAFRP C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@@H]3[C@H](C2)[C@@]41CC[N@H+]3C ZINC000027897511 561890585 /nfs/dbraw/zinc/89/05/85/561890585.db2.gz FQDLQNNQZHIEQC-MSLLCSOGSA-N 2 0 549.671 4.034 1 0 KIAFRP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(OC)c4c3[C@@]1(CC[N@H+]2CC1CC1)[C@H]5O4 ZINC000027899060 561890668 /nfs/dbraw/zinc/89/06/68/561890668.db2.gz JRCUWGJIFLJMLB-CVQRZJKKSA-N 2 0 689.853 4.430 1 0 KIAFRP O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(-c2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000027982782 561891880 /nfs/dbraw/zinc/89/18/80/561891880.db2.gz XQAWVHUOJZHGEY-UHFFFAOYSA-N 2 0 560.654 4.081 1 0 KIAFRP O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000027984649 561892070 /nfs/dbraw/zinc/89/20/70/561892070.db2.gz KDVNWXZIDHDOHM-UHFFFAOYSA-N 2 0 588.708 4.200 1 0 KIAFRP COC(=O)CN(c1ccc2c(c1)[nH+]c(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028005873 561895474 /nfs/dbraw/zinc/89/54/74/561895474.db2.gz PDTSGHYUFYPPDH-UHFFFAOYSA-N 3 0 525.657 4.271 1 0 KIAFRP COC(=O)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028017021 561897521 /nfs/dbraw/zinc/89/75/21/561897521.db2.gz RFQUOMWDNVTIQF-UHFFFAOYSA-N 2 0 525.657 4.271 1 0 KIAFRP C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028238432 561910068 /nfs/dbraw/zinc/91/00/68/561910068.db2.gz POEPECHZOIYDPM-WMBKNLHXSA-N 3 0 530.842 4.377 1 0 KIAFRP O=C(Cc1cccc2ccccc21)NCCCCCC(=O)N1CCC(C[NH2+]CCCC[NH2+]CC2CC[NH2+]CC2)CC1 ZINC000028256531 561911538 /nfs/dbraw/zinc/91/15/38/561911538.db2.gz ITFYWZCDZVNHKG-UHFFFAOYSA-N 3 0 563.831 4.257 1 0 KIAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])[C@@H]2CCc3ccccc32)CC1 ZINC000028346789 561915001 /nfs/dbraw/zinc/91/50/01/561915001.db2.gz LPXCUBHJKBBROC-XKWYWDKVSA-N 2 0 643.276 4.176 1 0 KIAFRP C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@]2([NH3+])CCc3ccccc3C2)CC1 ZINC000028346836 561915078 /nfs/dbraw/zinc/91/50/78/561915078.db2.gz SCQCUIDAIVTNEN-QBKROCAJSA-N 2 0 643.276 4.005 1 0 KIAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000028346849 561915064 /nfs/dbraw/zinc/91/50/64/561915064.db2.gz IQEGHBZHMJPPPE-HQYYERAXSA-N 2 0 643.276 4.396 1 0 KIAFRP C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000028346864 561915039 /nfs/dbraw/zinc/91/50/39/561915039.db2.gz IQEGHBZHMJPPPE-PWAPFLABSA-N 2 0 643.276 4.396 1 0 KIAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)Nc3ccccc3)cc2)CC1 ZINC000028370831 561918260 /nfs/dbraw/zinc/91/82/60/561918260.db2.gz KCBCHAXCZTUHQX-UHFFFAOYSA-N 2 0 539.640 4.378 1 0 KIAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NCc3ccccc3)cc2)CC1 ZINC000028371547 561918469 /nfs/dbraw/zinc/91/84/69/561918469.db2.gz PVXDIQFKYRQWRS-UHFFFAOYSA-N 2 0 553.667 4.056 1 0 KIAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NC3CCCCC3)cc2)CC1 ZINC000028372116 561918486 /nfs/dbraw/zinc/91/84/86/561918486.db2.gz IDRVKVCPMNGELY-UHFFFAOYSA-N 2 0 545.688 4.189 1 0 KIAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NCC3CCCCC3)cc2)CC1 ZINC000028372120 561918502 /nfs/dbraw/zinc/91/85/02/561918502.db2.gz PXZIBJNPYRAWNV-UHFFFAOYSA-N 2 0 559.715 4.436 1 0 KIAFRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028372985 561918663 /nfs/dbraw/zinc/91/86/63/561918663.db2.gz RRSAQPDQQFYIRY-ZCHFYVNCSA-N 2 0 643.276 4.351 1 0 KIAFRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028372993 561918763 /nfs/dbraw/zinc/91/87/63/561918763.db2.gz RRSAQPDQQFYIRY-WDMAKNEGSA-N 2 0 643.276 4.351 1 0 KIAFRP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000028373255 561918730 /nfs/dbraw/zinc/91/87/30/561918730.db2.gz UUPRARKOAAGHQH-GDLZYMKVSA-N 2 0 594.225 4.110 1 0 KIAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NCCCc3ccccc3)cc2)CC1 ZINC000028374249 561918915 /nfs/dbraw/zinc/91/89/15/561918915.db2.gz AELLCLXVPZHTOS-UHFFFAOYSA-N 2 0 581.721 4.489 1 0 KIAFRP C[NH+](C)CCN1CC[NH+](C[C@@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028384116 561920638 /nfs/dbraw/zinc/92/06/38/561920638.db2.gz YJJSJSBWSOLBCN-LJQANCHMSA-N 2 0 585.092 4.205 1 0 KIAFRP C[NH+](C)CCN1CC[NH+](C[C@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028384123 561920670 /nfs/dbraw/zinc/92/06/70/561920670.db2.gz YJJSJSBWSOLBCN-IBGZPJMESA-N 2 0 585.092 4.205 1 0 KIAFRP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028387009 561921258 /nfs/dbraw/zinc/92/12/58/561921258.db2.gz WVCVQJLLZOVQFP-FQLXRVMXSA-N 2 0 596.241 4.483 1 0 KIAFRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028387016 561921207 /nfs/dbraw/zinc/92/12/07/561921207.db2.gz WVCVQJLLZOVQFP-URLMMPGGSA-N 2 0 596.241 4.483 1 0 KIAFRP O=C(C[C@@H]1CCC[NH2+]1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028391406 561922257 /nfs/dbraw/zinc/92/22/57/561922257.db2.gz HWPUGTVHECPHAO-LMSSTIIKSA-N 2 0 594.225 4.252 1 0 KIAFRP O=C(C[C@H]1CCC[NH2+]1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028391415 561922183 /nfs/dbraw/zinc/92/21/83/561922183.db2.gz HWPUGTVHECPHAO-XRKRLSELSA-N 2 0 594.225 4.252 1 0 KIAFRP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000028392988 561922678 /nfs/dbraw/zinc/92/26/78/561922678.db2.gz PMHXZEPINFOADJ-URLMMPGGSA-N 2 0 594.225 4.252 1 0 KIAFRP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)[C@H]1CCCC[NH2+]1 ZINC000028392997 561922641 /nfs/dbraw/zinc/92/26/41/561922641.db2.gz PMHXZEPINFOADJ-FQLXRVMXSA-N 2 0 594.225 4.252 1 0 KIAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccc4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028395030 561922885 /nfs/dbraw/zinc/92/28/85/561922885.db2.gz BJJADUNFTFOKNU-JGCGQSQUSA-N 2 0 609.727 4.432 1 0 KIAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccc4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028395037 561922959 /nfs/dbraw/zinc/92/29/59/561922959.db2.gz BJJADUNFTFOKNU-YTTGMZPUSA-N 2 0 609.727 4.432 1 0 KIAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4O)CC3)c2)C1C(=O)OC ZINC000028397581 561923257 /nfs/dbraw/zinc/92/32/57/561923257.db2.gz DVUOLRXHRNQYNQ-SVNRFNMRSA-N 2 0 577.682 4.193 1 0 KIAFRP C[C@@H]([NH2+]CCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028455823 561923643 /nfs/dbraw/zinc/92/36/43/561923643.db2.gz ZORSDZPFLRASPL-AJTFRIOCSA-N 2 0 568.187 4.020 1 0 KIAFRP C[C@H]([NH2+]CCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028455825 561923663 /nfs/dbraw/zinc/92/36/63/561923663.db2.gz ZORSDZPFLRASPL-WXVAWEFUSA-N 2 0 568.187 4.020 1 0 KIAFRP CC[C@@H]([NH2+]CCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028456263 561923823 /nfs/dbraw/zinc/92/38/23/561923823.db2.gz SNRQCDXFSFMSON-VSGBNLITSA-N 2 0 582.214 4.410 1 0 KIAFRP CC[C@H]([NH2+]CCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028456266 561923810 /nfs/dbraw/zinc/92/38/10/561923810.db2.gz SNRQCDXFSFMSON-WUFINQPMSA-N 2 0 582.214 4.410 1 0 KIAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]Cc3ccc(F)cc3)CCCCC2)CC1 ZINC000028456432 561923883 /nfs/dbraw/zinc/92/38/83/561923883.db2.gz DZCFKLBWYDNKQP-HHHXNRCGSA-N 2 0 592.587 4.146 1 0 KIAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]Cc3cccs3)CCCCC2)CC1 ZINC000028457820 561924219 /nfs/dbraw/zinc/92/42/19/561924219.db2.gz XQPGJXQZZJHBDT-RUZDIDTESA-N 2 0 580.626 4.068 1 0 KIAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000028461571 561925256 /nfs/dbraw/zinc/92/52/56/561925256.db2.gz MUOJZQJKQQSHSN-NPAJZZOTSA-N 2 0 561.683 4.488 1 0 KIAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028461821 561925387 /nfs/dbraw/zinc/92/53/87/561925387.db2.gz KIMSNQWEMJOSMN-HHHXNRCGSA-N 2 0 574.597 4.006 1 0 KIAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]Cc3ccccc3F)CCCCC2)CC1 ZINC000028461824 561925364 /nfs/dbraw/zinc/92/53/64/561925364.db2.gz VJKFFBCITMWDAV-HHHXNRCGSA-N 2 0 592.587 4.146 1 0 KIAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]CC3CCCCC3)CCCCC2)CC1 ZINC000028462321 561925478 /nfs/dbraw/zinc/92/54/78/561925478.db2.gz QSSUKKCQDXBWMO-HHHXNRCGSA-N 2 0 580.645 4.387 1 0 KIAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]CCCc3ccccc3)CCCCC2)CC1 ZINC000028462325 561925482 /nfs/dbraw/zinc/92/54/82/561925482.db2.gz GVKUXJWLOAVCSF-GDLZYMKVSA-N 2 0 602.651 4.439 1 0 KIAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]CCc3ccccc3)CCCCC2)CC1 ZINC000028462329 561925497 /nfs/dbraw/zinc/92/54/97/561925497.db2.gz AJQRPIIDOYMRCS-MUUNZHRXSA-N 2 0 588.624 4.049 1 0 KIAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000028462388 561925512 /nfs/dbraw/zinc/92/55/12/561925512.db2.gz SBSLZGOLLHEECB-IQKFOVTFSA-N 2 0 591.709 4.496 1 0 KIAFRP CC(C)(C)CC[NH2+]CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)CCCCC1 ZINC000028463291 561925793 /nfs/dbraw/zinc/92/57/93/561925793.db2.gz IMSQSUXVHNQJOE-RUZDIDTESA-N 2 0 568.634 4.242 1 0 KIAFRP CC(C)C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470162 561926859 /nfs/dbraw/zinc/92/68/59/561926859.db2.gz ACPARYNPKYAYQD-AHKZPQOWSA-N 2 0 534.701 4.299 1 0 KIAFRP CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470176 561926885 /nfs/dbraw/zinc/92/68/85/561926885.db2.gz UEWHXLVSSMYLGO-LSYYVWMOSA-N 2 0 533.717 4.034 1 0 KIAFRP CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470527 561926813 /nfs/dbraw/zinc/92/68/13/561926813.db2.gz CNVZZZPLGYMSFV-NVQXNPDNSA-N 2 0 549.543 4.469 1 0 KIAFRP CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028473205 561927278 /nfs/dbraw/zinc/92/72/78/561927278.db2.gz ACPARYNPKYAYQD-BDYUSTAISA-N 2 0 534.701 4.299 1 0 KIAFRP CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476108 561928116 /nfs/dbraw/zinc/92/81/16/561928116.db2.gz XFRNCXGSJUADFM-BDYUSTAISA-N 2 0 573.576 4.315 1 0 KIAFRP CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476314 561928194 /nfs/dbraw/zinc/92/81/94/561928194.db2.gz ACPARYNPKYAYQD-VPUSJEBWSA-N 2 0 534.701 4.299 1 0 KIAFRP CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476871 561928421 /nfs/dbraw/zinc/92/84/21/561928421.db2.gz ASRPYBALJOUGHC-YZNIXAGQSA-N 2 0 545.728 4.101 1 0 KIAFRP [NH3+]CCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028478267 561928796 /nfs/dbraw/zinc/92/87/96/561928796.db2.gz XAMLRWSYWBCOJG-AREMUKBSSA-N 2 0 560.595 4.195 1 0 KIAFRP CC[C@H](C[NH2+]CCCCCC[NH2+]C[C@H](CC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522656 561929587 /nfs/dbraw/zinc/92/95/87/561929587.db2.gz UKMRMSMTGCYRQI-PSWAGMNNSA-N 2 0 546.712 4.371 1 0 KIAFRP CC[C@H](C[NH2+]CCCCCC[NH2+]C[C@@H](CC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522658 561929595 /nfs/dbraw/zinc/92/95/95/561929595.db2.gz UKMRMSMTGCYRQI-DNQXCXABSA-N 2 0 546.712 4.371 1 0 KIAFRP CC[C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](CC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522661 561929542 /nfs/dbraw/zinc/92/95/42/561929542.db2.gz UKMRMSMTGCYRQI-ZEQRLZLVSA-N 2 0 546.712 4.371 1 0 KIAFRP Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[NH2+]CCCCCC[NH2+]CCCN1C(=O)c3ccccc3C1=O)C2=O ZINC000028523669 561930244 /nfs/dbraw/zinc/93/02/44/561930244.db2.gz HNXYUNZQEIQITO-UHFFFAOYSA-N 2 0 532.685 4.043 1 0 KIAFRP CC(C)(C[NH2+]CCCCCC[NH2+]CC(C)(C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028523717 561930370 /nfs/dbraw/zinc/93/03/70/561930370.db2.gz ZVKDFNBNUBGPLR-UHFFFAOYSA-N 2 0 546.712 4.371 1 0 KIAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCCCCCCCCC[NH3+])CC1 ZINC000028528183 561932793 /nfs/dbraw/zinc/93/27/93/561932793.db2.gz FNTPFIQEKNCIBW-UHFFFAOYSA-N 2 0 511.107 4.138 1 0 KIAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCCNCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000028641941 561943379 /nfs/dbraw/zinc/94/33/79/561943379.db2.gz VTLDSDBUCPUKHT-UHFFFAOYSA-N 2 0 605.739 4.214 1 0 KIAFRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000028653032 561946095 /nfs/dbraw/zinc/94/60/95/561946095.db2.gz RQPBIDGXGZXSLU-RHNUXINZSA-N 2 0 674.846 4.274 1 0 KIAFRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(O)cc1 ZINC000028653039 561946165 /nfs/dbraw/zinc/94/61/65/561946165.db2.gz APAXYZSAKSDVKN-QBDOPFNQSA-N 2 0 676.818 4.302 1 0 KIAFRP CC[NH+](CC)CCOc1cccc(-c2nc3nc(N)nc(N)c3nc2-c2cccc(OCC[NH+](CC)CC)c2)c1 ZINC000028711109 561951716 /nfs/dbraw/zinc/95/17/16/561951716.db2.gz GZROBZRPDVWXHE-UHFFFAOYSA-N 2 0 544.704 4.359 1 0 KIAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CN1CCN(CC[N@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714044 561954377 /nfs/dbraw/zinc/95/43/77/561954377.db2.gz RVRKPKDBCYMWDR-BIWJUTDKSA-N 2 0 636.885 4.198 1 0 KIAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN(C)CCN(C)CC[N@@H+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714071 561954725 /nfs/dbraw/zinc/95/47/25/561954725.db2.gz UWPWFSGFMDDZFL-ODEIBIGMSA-N 2 0 652.928 4.486 1 0 KIAFRP COc1cc(-c2csc3c2C(=[NH2+])NC[C@@H]3C=CC(=O)NC2CC[NH2+]CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822579 561967368 /nfs/dbraw/zinc/96/73/68/561967368.db2.gz MFWAQKDWCCUZIR-DJGBTNNQSA-N 2 0 582.730 4.395 1 0 KIAFRP COc1cc(-c2csc3c2C(=[NH2+])NC[C@H]3C=CC(=O)NC2CC[NH2+]CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822580 561967362 /nfs/dbraw/zinc/96/73/62/561967362.db2.gz MFWAQKDWCCUZIR-ZQAUEJBPSA-N 2 0 582.730 4.395 1 0 KIAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(C(=O)C[NH3+])C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824066 561968856 /nfs/dbraw/zinc/96/88/56/561968856.db2.gz CKUKOEHJDFYUBU-GVAUOCQISA-N 2 0 580.095 4.254 1 0 KIAFRP COCC(COC)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824113 561968979 /nfs/dbraw/zinc/96/89/79/561968979.db2.gz VKZBGBOJTIGWCF-LXQNXJGFSA-N 2 0 557.179 4.330 1 0 KIAFRP O=C(NCCNc1c2ccccc2[nH+]c2c1CCCC2)C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000028824304 561969387 /nfs/dbraw/zinc/96/93/87/561969387.db2.gz WLFOCPXAEKVJHV-UHFFFAOYSA-N 2 0 536.680 4.297 1 0 KIAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)C1 ZINC000028824433 561969677 /nfs/dbraw/zinc/96/96/77/561969677.db2.gz DPSNPRPBLILKPY-QFIPXVFZSA-N 2 0 602.683 4.003 1 0 KIAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)C1 ZINC000028824434 561969659 /nfs/dbraw/zinc/96/96/59/561969659.db2.gz DPSNPRPBLILKPY-JOCHJYFZSA-N 2 0 602.683 4.003 1 0 KIAFRP [NH3+]Cc1ncc([C@@]23C[C@@H]2[C@H](N(CCC[N@@H+]2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825137 561970318 /nfs/dbraw/zinc/97/03/18/561970318.db2.gz NMYTVJXUWUGBBX-SDLCRUBJSA-N 2 0 541.615 4.171 1 0 KIAFRP [NH3+]Cc1ncc([C@@]23C[C@@H]2[C@H](N(CCC[N@@H+]2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825140 561970365 /nfs/dbraw/zinc/97/03/65/561970365.db2.gz NMYTVJXUWUGBBX-HKTKNQGOSA-N 2 0 541.615 4.171 1 0 KIAFRP C[C@@H]1CN(CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@@H]2CC[C@]3(c4cnc(C[NH3+])s4)C[C@H]23)[C@@H](C)C[NH2+]1 ZINC000028825143 561970336 /nfs/dbraw/zinc/97/03/36/561970336.db2.gz ZMZHZCSLQGDVJZ-QOUGIXSESA-N 2 0 552.576 4.330 1 0 KIAFRP [NH3+]Cc1ncc([C@@]23C[C@@H]2[C@@H](N(CCC[N@@H+]2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825147 561970346 /nfs/dbraw/zinc/97/03/46/561970346.db2.gz NMYTVJXUWUGBBX-RUSORYGASA-N 2 0 541.615 4.171 1 0 KIAFRP C[C@@H]1CN(CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H]2CC[C@@]3(c4cnc(C[NH3+])s4)C[C@@H]23)[C@@H](C)C[NH2+]1 ZINC000028825148 561970360 /nfs/dbraw/zinc/97/03/60/561970360.db2.gz ZMZHZCSLQGDVJZ-BEGLXJJCSA-N 2 0 552.576 4.330 1 0 KIAFRP C[C@@H]1CN(CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H]2CC[C@]3(c4cnc(C[NH3+])s4)C[C@H]23)[C@@H](C)C[NH2+]1 ZINC000028825149 561970285 /nfs/dbraw/zinc/97/02/85/561970285.db2.gz ZMZHZCSLQGDVJZ-JXWYJFIFSA-N 2 0 552.576 4.330 1 0 KIAFRP C[C@@H]1C[NH2+][C@@H](C)CN1CCCN(C(=O)Nc1cc(Cl)nc(Cl)c1)[C@H]1CC[C@@]2(c3cnc(C[NH3+])s3)C[C@@H]12 ZINC000028825150 561970282 /nfs/dbraw/zinc/97/02/82/561970282.db2.gz ZMZHZCSLQGDVJZ-BDXPTWQUSA-N 2 0 552.576 4.330 1 0 KIAFRP C[C@@H]1C[NH2+][C@@H](C)CN1CCCN(C(=O)Nc1cc(Cl)nc(Cl)c1)[C@H]1CC[C@]2(c3cnc(C[NH3+])s3)C[C@H]12 ZINC000028825151 561970313 /nfs/dbraw/zinc/97/03/13/561970313.db2.gz ZMZHZCSLQGDVJZ-MRILWLIUSA-N 2 0 552.576 4.330 1 0 KIAFRP C[N@@H+]1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cn3)c(OCCC[NH3+])c2)CC1 ZINC000028825296 561970810 /nfs/dbraw/zinc/97/08/10/561970810.db2.gz LHVUKMHQXOQZDT-UHFFFAOYSA-N 2 0 537.064 4.109 1 0 KIAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000028825737 561970878 /nfs/dbraw/zinc/97/08/78/561970878.db2.gz FPCHDSHOEYZWRR-XZOQPEGZSA-N 2 0 588.502 4.393 1 0 KIAFRP CC(C)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000028825744 561970965 /nfs/dbraw/zinc/97/09/65/561970965.db2.gz HKRDNYBCBWCVPZ-XZOQPEGZSA-N 2 0 588.502 4.393 1 0 KIAFRP CC(C)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000028825745 561970931 /nfs/dbraw/zinc/97/09/31/561970931.db2.gz HKRDNYBCBWCVPZ-DHIUTWEWSA-N 2 0 588.502 4.393 1 0 KIAFRP CC(C)n1cc(NC(=O)c2cc(NC(=[NH2+])c3ccccc3)cn2C)cc1C(=O)Nc1ccc(C(=O)NCCC[NH+](C)C)n1C ZINC000028863594 561972358 /nfs/dbraw/zinc/97/23/58/561972358.db2.gz KWHLSWSWXBDGDZ-UHFFFAOYSA-N 2 0 599.740 4.370 1 0 KIAFRP COc1cccc(C(=[NH2+])Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(C(=O)NCCC[NH+](C)C)n4C)n(C(C)C)c3)n(C)c2)c1 ZINC000028863635 561972587 /nfs/dbraw/zinc/97/25/87/561972587.db2.gz RHIUCGUGEHAWQK-UHFFFAOYSA-N 2 0 629.766 4.378 1 0 KIAFRP CCc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864112 561972541 /nfs/dbraw/zinc/97/25/41/561972541.db2.gz FVCSRWSONCYMPB-UHFFFAOYSA-N 2 0 573.688 4.027 1 0 KIAFRP CSc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864121 561972590 /nfs/dbraw/zinc/97/25/90/561972590.db2.gz CMTGTUPQRGVTHE-UHFFFAOYSA-N 2 0 591.728 4.186 1 0 KIAFRP C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000028864124 561972637 /nfs/dbraw/zinc/97/26/37/561972637.db2.gz RPWAWOSYDIWRBM-UHFFFAOYSA-N 2 0 613.631 4.483 1 0 KIAFRP Cc1cc(Cl)ccc1C[NH+]1CCc2c(c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864141 561972492 /nfs/dbraw/zinc/97/24/92/561972492.db2.gz UKFXMFODKVUUPA-UHFFFAOYSA-N 2 0 594.106 4.426 1 0 KIAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864144 561972623 /nfs/dbraw/zinc/97/26/23/561972623.db2.gz LSOURRCAOWIPMJ-UHFFFAOYSA-N 2 0 573.688 4.081 1 0 KIAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@@H+](C)CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864169 561972764 /nfs/dbraw/zinc/97/27/64/561972764.db2.gz MTAHMKQTFODPEX-UHFFFAOYSA-N 2 0 524.656 4.099 1 0 KIAFRP CC(=[NH2+])Nc1cc(C(=O)Nc2cc(C(=O)Nc3nc(C(=O)NCCC[NH+](C)C)c(CCC(C)C)s3)n(C)c2)n(C)c1 ZINC000028864243 561973012 /nfs/dbraw/zinc/97/30/12/561973012.db2.gz CHVDFBUKMRIRDB-UHFFFAOYSA-N 2 0 583.763 4.004 1 0 KIAFRP c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)oc3ncnc(NCCN4CC[NH2+]CC4)c32)cc1 ZINC000028879303 561976265 /nfs/dbraw/zinc/97/62/65/561976265.db2.gz DMZTWOCJNVKCBW-UHFFFAOYSA-N 2 0 512.658 4.349 1 0 KIAFRP COC[C@@H](C)[NH2+]CC1(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028953560 561982455 /nfs/dbraw/zinc/98/24/55/561982455.db2.gz LLYPXTFGGKKFPO-MVNQZMKCSA-N 2 0 519.174 4.235 1 0 KIAFRP COC[C@H](C)[NH2+]CC1(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028953562 561982541 /nfs/dbraw/zinc/98/25/41/561982541.db2.gz LLYPXTFGGKKFPO-RNJDCESWSA-N 2 0 519.174 4.235 1 0 KIAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cnc[nH]4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953756 561982530 /nfs/dbraw/zinc/98/25/30/561982530.db2.gz JDKQYFYELFSWDK-SXOMAYOGSA-N 2 0 527.157 4.124 1 0 KIAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ncc[nH]4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953763 561982517 /nfs/dbraw/zinc/98/25/17/561982517.db2.gz IPQDSHGUTBGRCL-FTJBHMTQSA-N 2 0 527.157 4.124 1 0 KIAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4nccn4C)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953770 561982545 /nfs/dbraw/zinc/98/25/45/561982545.db2.gz GDPGGMHYTFBSNL-SXOMAYOGSA-N 2 0 541.184 4.134 1 0 KIAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cncnc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953805 561982462 /nfs/dbraw/zinc/98/24/62/561982462.db2.gz UVVSRJZXMBBDIT-IZLXSDGUSA-N 2 0 539.168 4.191 1 0 KIAFRP COCC[N@H+](C)Cc1ccccc1N1CCN(C(=O)[C@@H]2C[NH+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959713 561983897 /nfs/dbraw/zinc/98/38/97/561983897.db2.gz PXQQGBGLLVYWAF-RRPNLBNLSA-N 2 0 513.126 4.191 1 0 KIAFRP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN3CCC([NH3+])CC3)CC2)C1 ZINC000028959733 561983887 /nfs/dbraw/zinc/98/38/87/561983887.db2.gz UPCSXJYYAWJGTD-WUFINQPMSA-N 2 0 524.153 4.036 1 0 KIAFRP CC(C)CN(Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)C(=O)CC[NH3+] ZINC000028959814 561983939 /nfs/dbraw/zinc/98/39/39/561983939.db2.gz UTAJQDGTADLYIO-URLMMPGGSA-N 2 0 568.206 4.446 1 0 KIAFRP C[NH2+]CC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)C(C)C ZINC000028960088 561983951 /nfs/dbraw/zinc/98/39/51/561983951.db2.gz GTTORKQZYXUEKC-HFASVGIHSA-N 2 0 572.169 4.284 1 0 KIAFRP CC(C)[C@H](NC(=O)[C@@H](C)[NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960095 561983941 /nfs/dbraw/zinc/98/39/41/561983941.db2.gz QNTAFNXCHAAUJZ-DQFIBICCSA-N 2 0 572.169 4.412 1 0 KIAFRP CC(C)[C@H](NC(=O)CC[NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960099 561983891 /nfs/dbraw/zinc/98/38/91/561983891.db2.gz SXZKHCLLCRXMHC-HFASVGIHSA-N 2 0 572.169 4.414 1 0 KIAFRP Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCN(C[C@@H](O)CN3CC[NH2+]CC3)CC2)c1 ZINC000028961545 561984361 /nfs/dbraw/zinc/98/43/61/561984361.db2.gz AGZBTOKWUUPEBM-DSNFFHCTSA-N 2 0 646.946 4.370 1 0 KIAFRP Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCN(C[C@H](O)CN3CC[NH2+]CC3)CC2)c1 ZINC000028961552 561984365 /nfs/dbraw/zinc/98/43/65/561984365.db2.gz AGZBTOKWUUPEBM-QGVFFIPKSA-N 2 0 646.946 4.370 1 0 KIAFRP C[NH2+][C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(C)cc1C)C2)c1ccccc1 ZINC000029060330 561995661 /nfs/dbraw/zinc/99/56/61/561995661.db2.gz STHQVHUFYBTWHL-LJAQVGFWSA-N 2 0 544.646 4.472 1 0 KIAFRP C[NH2+][C@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(C)cc1C)C2)c1ccccc1 ZINC000029060333 561995642 /nfs/dbraw/zinc/99/56/42/561995642.db2.gz STHQVHUFYBTWHL-GDLZYMKVSA-N 2 0 544.646 4.472 1 0 KIAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4[NH2+]CCc5ccccc54)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000029060462 561995659 /nfs/dbraw/zinc/99/56/59/561995659.db2.gz HJNWXNGNDDFENS-PMERELPUSA-N 2 0 556.657 4.399 1 0 KIAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4[NH2+]CCc5ccccc54)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000029060467 561995622 /nfs/dbraw/zinc/99/56/22/561995622.db2.gz HJNWXNGNDDFENS-SSEXGKCCSA-N 2 0 556.657 4.399 1 0 KIAFRP CC(C)C[N@H+](C)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000029060615 561995626 /nfs/dbraw/zinc/99/56/26/561995626.db2.gz WGUOBMQAEOVIPD-UHFFFAOYSA-N 2 0 580.598 4.381 1 0 KIAFRP COc1cccc([C@@H]2C[N@@H+](C(C)C)C[C@H]2C(=O)N2CCN(c3c(F)cccc3[C@@H](NC(=O)CC[NH+](C)C)C(C)C)CC2)c1 ZINC000029130593 562002737 /nfs/dbraw/zinc/00/27/37/562002737.db2.gz KEVDDJINAKGHQN-LBRLCBGXSA-N 2 0 595.804 4.372 1 0 KIAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)c1 ZINC000029130808 562002934 /nfs/dbraw/zinc/00/29/34/562002934.db2.gz SOSFYACMVJVEJQ-XBDRXADTSA-N 2 0 610.243 4.352 1 0 KIAFRP C[NH2+]CC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2c2ccc(Cl)cc2)CC1)C(C)C ZINC000029130884 562002910 /nfs/dbraw/zinc/00/29/10/562002910.db2.gz AFYRPFJWRJINKI-VATRQPNGSA-N 2 0 610.243 4.224 1 0 KIAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)[C@@H](C)[NH3+])C(C)C)c1 ZINC000029130887 562002826 /nfs/dbraw/zinc/00/28/26/562002826.db2.gz SOSFYACMVJVEJQ-NPAPAHQKSA-N 2 0 610.243 4.352 1 0 KIAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH3+])C(C)C)c1 ZINC000029130976 562002801 /nfs/dbraw/zinc/00/28/01/562002801.db2.gz JCRLKKFCFDVDDV-VATRQPNGSA-N 2 0 610.243 4.354 1 0 KIAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000029131451 562003044 /nfs/dbraw/zinc/00/30/44/562003044.db2.gz DUEOGLDPZSDHOJ-DURBRWELSA-N 2 0 554.179 4.065 1 0 KIAFRP CCCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252980 562011328 /nfs/dbraw/zinc/01/13/28/562011328.db2.gz QUHICZCAIBKQSC-YAUKWVCOSA-N 2 0 663.815 4.214 1 0 KIAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(OCCCCCCOc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000029340608 562015144 /nfs/dbraw/zinc/01/51/44/562015144.db2.gz LDUAFBWPXSAQIM-UIOOFZCWSA-N 2 0 532.722 4.180 1 0 KIAFRP CC(C)[NH2+]C[C@@H](O)COc1ccccc1OCCCCCCOc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000029340611 562015152 /nfs/dbraw/zinc/01/51/52/562015152.db2.gz MQFXDVBSZCBVKM-WMPKNSHKSA-N 2 0 532.722 4.180 1 0 KIAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCNC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389972 562017118 /nfs/dbraw/zinc/01/71/18/562017118.db2.gz YXUHGNSTVHJZTH-XDZXDJIYSA-N 2 0 545.555 4.387 1 0 KIAFRP C[NH+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCNC(=O)[C@@H]2C[N@H+](C)CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000029389978 562017127 /nfs/dbraw/zinc/01/71/27/562017127.db2.gz YXUHGNSTVHJZTH-GWMMUDDPSA-N 2 0 545.555 4.387 1 0 KIAFRP C[NH+](CCCn1c(N)[nH+]c2cc(Br)ccc21)CCCn1c(N)[nH+]c2cc(Br)ccc21 ZINC000029399515 562019328 /nfs/dbraw/zinc/01/93/28/562019328.db2.gz CTFOREKWTRVZJK-UHFFFAOYSA-N 3 0 535.288 4.488 1 0 KIAFRP CCOC(=O)C1=C(COCC[NH+]2CCN(CC[NH+](CC)CC)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029463061 562023409 /nfs/dbraw/zinc/02/34/09/562023409.db2.gz FGEWODDSZAAYKH-MCKMWFOCSA-N 2 0 577.166 4.107 1 0 KIAFRP CCOC(=O)C1=C(COCC[NH+]2CCN(CC[NH+](CC)CC)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029463067 562023373 /nfs/dbraw/zinc/02/33/73/562023373.db2.gz FGEWODDSZAAYKH-TVLNSTGRSA-N 2 0 577.166 4.107 1 0 KIAFRP COc1cc(C(=O)NC(=O)[C@@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@@H](C(=O)NC(=O)c5cc(OC)c(OC)c(OC)c5)C4)cc3)C2)cc(OC)c1OC ZINC000029553205 562031603 /nfs/dbraw/zinc/03/16/03/562031603.db2.gz GEYPSQZHXMNWIM-VSGBNLITSA-N 2 0 746.858 4.075 1 0 KIAFRP COc1cc(C(=O)NC(=O)[C@@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@H](C(=O)NC(=O)c5cc(OC)c(OC)c(OC)c5)C4)cc3)C2)cc(OC)c1OC ZINC000029553209 562031621 /nfs/dbraw/zinc/03/16/21/562031621.db2.gz GEYPSQZHXMNWIM-HNRBIFIRSA-N 2 0 746.858 4.075 1 0 KIAFRP CN(CCC[NH+](C)C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000029557332 562032329 /nfs/dbraw/zinc/03/23/29/562032329.db2.gz HDZNQLFXAOOEFQ-CJNBSOOHSA-N 2 0 613.847 4.373 1 0 KIAFRP O=C(NC(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)NC(=O)c4ccccc4)C3)cc2)C1)c1ccccc1 ZINC000029557577 562032403 /nfs/dbraw/zinc/03/24/03/562032403.db2.gz WGFDGTABINXSBX-LOYHVIPDSA-N 2 0 566.702 4.024 1 0 KIAFRP O=C(NC(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)NC(=O)c4ccccc4)C3)cc2)C1)c1ccccc1 ZINC000029557580 562032439 /nfs/dbraw/zinc/03/24/39/562032439.db2.gz WGFDGTABINXSBX-RNPORBBMSA-N 2 0 566.702 4.024 1 0 KIAFRP CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCCC[NH3+] ZINC000029561757 562033505 /nfs/dbraw/zinc/03/35/05/562033505.db2.gz GARVGWQHRZRJPU-GFPZKVLASA-N 2 0 611.831 4.332 1 0 KIAFRP CN(C)C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000029564788 562034041 /nfs/dbraw/zinc/03/40/41/562034041.db2.gz PWBDFPUIINBOCS-ZDXFFWRPSA-N 2 0 696.937 4.178 1 0 KIAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5C)c4)cc3)cc2)c1 ZINC000031561775 562036234 /nfs/dbraw/zinc/03/62/34/562036234.db2.gz JYJYFJBCZKCPIF-UHFFFAOYSA-P 2 0 517.589 4.246 1 0 KIAFRP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000033504561 562037371 /nfs/dbraw/zinc/03/73/71/562037371.db2.gz XWKXPLPDTIDFPV-SSEXGKCCSA-N 2 0 539.786 4.461 1 0 KIAFRP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000033504563 562037424 /nfs/dbraw/zinc/03/74/24/562037424.db2.gz XWKXPLPDTIDFPV-PMERELPUSA-N 2 0 539.786 4.461 1 0 KIAFRP COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@]31CC[C@]2(C[C@H]3c4c2c(O)c(OC)cc4CC[N@H+]3C)C[C@H]1OC ZINC000033913539 562037876 /nfs/dbraw/zinc/03/78/76/562037876.db2.gz ZEQJFLRBPFWVDX-XVNLIJBVSA-N 2 0 533.669 4.310 1 0 KIAFRP COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@]31CC[C@]2(C[C@@H]3c4c2c(O)c(OC)cc4CC[N@H+]3C)C[C@H]1OC ZINC000033913540 562037868 /nfs/dbraw/zinc/03/78/68/562037868.db2.gz ZEQJFLRBPFWVDX-UKQVIXBHSA-N 2 0 533.669 4.310 1 0 KIAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCN(C(=O)C3CC[NH2+]CC3)CC2)c(C(C)C)c1 ZINC000034689214 562039681 /nfs/dbraw/zinc/03/96/81/562039681.db2.gz JEISJIQYKNPETD-YTTGMZPUSA-N 2 0 666.933 4.291 1 0 KIAFRP O=C1COc2ccccc2N1C1CC[NH+](CCCn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CC[NH2+]C3)CC1 ZINC000034804863 562043431 /nfs/dbraw/zinc/04/34/31/562043431.db2.gz NGIKJKVCHFIMFL-UHFFFAOYSA-N 2 0 539.602 4.495 1 0 KIAFRP CCS(=O)(=O)N1c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2C[C@@H]1c1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000035975467 562045986 /nfs/dbraw/zinc/04/59/86/562045986.db2.gz UGJLMTYKBNUMMU-HHHXNRCGSA-N 2 0 519.671 4.418 1 0 KIAFRP CCOC(=O)[C@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(=[NH2+])c3ccc(OC)cc3)CC2)cc1 ZINC000036107659 562047359 /nfs/dbraw/zinc/04/73/59/562047359.db2.gz OIZIPNKDGRHAPV-SSEXGKCCSA-N 2 0 585.705 4.499 1 0 KIAFRP COc1ccccc1CC[NH2+]Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036284748 562053316 /nfs/dbraw/zinc/05/33/16/562053316.db2.gz JSKHOFVHGKKMTP-MUUNZHRXSA-N 2 0 612.602 4.059 1 0 KIAFRP C[NH+]1CCC(c2ccccc2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036284886 562053456 /nfs/dbraw/zinc/05/34/56/562053456.db2.gz TVYHNAAZQNGNOW-ROJLCIKYSA-N 2 0 600.207 4.367 1 0 KIAFRP C[NH+]1CCC(c2ccccc2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036284891 562053428 /nfs/dbraw/zinc/05/34/28/562053428.db2.gz TVYHNAAZQNGNOW-AJQTZOPKSA-N 2 0 600.207 4.367 1 0 KIAFRP C[NH+]1CCC(Cc2ccccc2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285232 562053852 /nfs/dbraw/zinc/05/38/52/562053852.db2.gz OKIXSPZFVJCSDW-CZNDPXEESA-N 2 0 614.234 4.453 1 0 KIAFRP C[NH+]1CCC(Cc2ccccc2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285238 562053890 /nfs/dbraw/zinc/05/38/90/562053890.db2.gz OKIXSPZFVJCSDW-JHOUSYSJSA-N 2 0 614.234 4.453 1 0 KIAFRP CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036285243 562053863 /nfs/dbraw/zinc/05/38/63/562053863.db2.gz LWBXLZBGWUEHNG-LOYHVIPDSA-N 2 0 580.217 4.257 1 0 KIAFRP CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036285249 562053903 /nfs/dbraw/zinc/05/39/03/562053903.db2.gz LWBXLZBGWUEHNG-XZWHSSHBSA-N 2 0 580.217 4.257 1 0 KIAFRP CC(=O)N1CCC(CC(C)C)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285300 562053939 /nfs/dbraw/zinc/05/39/39/562053939.db2.gz ZNWANTUKXKBZLP-FIRIVFDPSA-N 2 0 608.227 4.173 1 0 KIAFRP CC(=O)N1CCC(CC(C)C)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285304 562053913 /nfs/dbraw/zinc/05/39/13/562053913.db2.gz ZNWANTUKXKBZLP-IOWSJCHKSA-N 2 0 608.227 4.173 1 0 KIAFRP CC[C@H](C)C(=O)N[C@H]1CC[C@H]2C[C@H]3C(=O)C[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)C[NH3+] ZINC000036295007 562054870 /nfs/dbraw/zinc/05/48/70/562054870.db2.gz VOAGBJSUODLHRL-PHZOWCOASA-N 2 0 517.799 4.241 1 0 KIAFRP C[NH+]1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[N@@H+]5CC[C@H](O)C5)c4)C[C@@H]3C2)CC1 ZINC000036351808 562059375 /nfs/dbraw/zinc/05/93/75/562059375.db2.gz CNDKMGSFYGRYPR-LIHQSLCGSA-N 2 0 578.752 4.362 1 0 KIAFRP CC[C@H]1CN(c2ncc(C3=[NH+]CCN3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000036488114 562060917 /nfs/dbraw/zinc/06/09/17/562060917.db2.gz GCVYMVHKOARNEP-NRFANRHFSA-N 2 0 519.496 4.443 1 0 KIAFRP C[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)[N@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)[NH+](C)C ZINC000038147601 562065596 /nfs/dbraw/zinc/06/55/96/562065596.db2.gz QWTKIROLSYOMPY-BBACVFHCSA-N 3 0 601.880 4.341 1 0 KIAFRP C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000038806649 562072457 /nfs/dbraw/zinc/07/24/57/562072457.db2.gz POEPECHZOIYDPM-OPDRTSFASA-N 3 0 530.842 4.377 1 0 KIAFRP C[NH+](C)CCCNC(=O)CCc1cccc2c1Oc1c(CCC(=O)NCCC[NH+](C)C)cccc1C2(C)C ZINC000040639532 562078747 /nfs/dbraw/zinc/07/87/47/562078747.db2.gz GWGOHLHEIZKNHR-UHFFFAOYSA-N 2 0 522.734 4.119 1 0 KIAFRP CCCC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]3O5 ZINC000040663209 562078999 /nfs/dbraw/zinc/07/89/99/562078999.db2.gz WCHLSRWLEJAPMR-UHJWFULKSA-N 2 0 512.654 4.440 1 0 KIAFRP CCCC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000040663211 562078996 /nfs/dbraw/zinc/07/89/96/562078996.db2.gz WCHLSRWLEJAPMR-CTZUUEIXSA-N 2 0 512.654 4.440 1 0 KIAFRP C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2nc3cc4nc(NC(=O)C[NH2+][C@@H]5CC[C@H](C)C5)sc4cc3s2)C1 ZINC000040709525 562079057 /nfs/dbraw/zinc/07/90/57/562079057.db2.gz SIYZYPCYEPXBIT-SYMSYNOKSA-N 2 0 500.694 4.339 1 0 KIAFRP C[NH+]1CCN(CCC(=O)N2CCC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040880020 562082478 /nfs/dbraw/zinc/08/24/78/562082478.db2.gz CENRZZIJDJFOCR-SYGBTZKXSA-N 2 0 500.731 4.421 1 0 KIAFRP C[NH+]1CCN(CCC(=O)N2CCC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040880024 562082475 /nfs/dbraw/zinc/08/24/75/562082475.db2.gz CENRZZIJDJFOCR-DUEBYIIVSA-N 2 0 500.731 4.421 1 0 KIAFRP CN1CC[NH+](CCC(=O)N[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040954931 562086581 /nfs/dbraw/zinc/08/65/81/562086581.db2.gz ZHRHVAJQVGRZMO-GJTYJFQVSA-N 2 0 500.731 4.325 1 0 KIAFRP [NH3+]Cc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)cc1 ZINC000040976257 562087230 /nfs/dbraw/zinc/08/72/30/562087230.db2.gz NKSITFUAIXVDAQ-DEOSSOPVSA-N 2 0 512.507 4.042 1 0 KIAFRP O=C(NC(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)NC(=O)c4ccccc4)C3)cc2)C1)c1ccccc1 ZINC000043100358 562645895 /nfs/dbraw/zinc/64/58/95/562645895.db2.gz WGFDGTABINXSBX-KYJUHHDHSA-N 2 0 566.702 4.024 1 0 KIAFRP [NH3+][C@@H](CCC(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000044087079 562652274 /nfs/dbraw/zinc/65/22/74/562652274.db2.gz PPRVWSJTHRIDNG-MHZLTWQESA-N 3 0 593.776 4.405 1 0 KIAFRP O=C(CC[NH+]1CCCC1)Nc1ccc(/C=C2\CCn3c2nc2ccc(NC(=O)CC[NH+]4CCCC4)cc2c3=O)cc1 ZINC000044352016 562654930 /nfs/dbraw/zinc/65/49/30/562654930.db2.gz WOXZFGZZTQTNHQ-DARPEHSRSA-N 2 0 554.695 4.190 1 0 KIAFRP Cc1cc(C[N@@H+]2CCCN(c3ccc4c(c3)CC[NH+](Cc3ccc(-c5ncc[nH]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657978 /nfs/dbraw/zinc/65/79/78/562657978.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 2 0 509.702 4.432 1 0 KIAFRP COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1-c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(C)c1 ZINC000045188517 562658356 /nfs/dbraw/zinc/65/83/56/562658356.db2.gz DVFVGHMYYUQURE-UHFFFAOYSA-N 2 0 511.663 4.474 1 0 KIAFRP COc1ccc(C[NH2+]Cc2ccccc2)cc1-c1ccc(OC)c(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000045195764 562658950 /nfs/dbraw/zinc/65/89/50/562658950.db2.gz VAKPQDNNUSKCMF-UHFFFAOYSA-N 2 0 509.672 4.035 1 0 KIAFRP COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(OC)c(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000045228327 562659525 /nfs/dbraw/zinc/65/95/25/562659525.db2.gz HNJGJCNONVWPGF-UHFFFAOYSA-N 2 0 535.710 4.002 1 0 KIAFRP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCCN3CC[NH2+]CC3)c3ccccc23)C1)c1ccc(Cl)c(Cl)c1 ZINC000045231301 562659668 /nfs/dbraw/zinc/65/96/68/562659668.db2.gz GZOJQCWBRYZQDN-QFIPXVFZSA-N 2 0 527.496 4.435 1 0 KIAFRP COc1ccc(C[NH2+]Cc2ccsc2)cc1-c1ccc(OC)c(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000045303029 562660809 /nfs/dbraw/zinc/66/08/09/562660809.db2.gz WEBPETUBHDCYEY-UHFFFAOYSA-N 2 0 515.701 4.096 1 0 KIAFRP COc1ccc(C[NH2+]CCc2cccs2)cc1-c1ccc(OC)c(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000045303203 562660776 /nfs/dbraw/zinc/66/07/76/562660776.db2.gz VNHMHBFPFIFWED-UHFFFAOYSA-N 2 0 529.728 4.139 1 0 KIAFRP COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1-c1ccc(OC)c(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000045314612 562660836 /nfs/dbraw/zinc/66/08/36/562660836.db2.gz SCZYJQFNVIYVKL-UHFFFAOYSA-N 2 0 527.662 4.174 1 0 KIAFRP Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000045324374 562661238 /nfs/dbraw/zinc/66/12/38/562661238.db2.gz QEQVXHWUTXOBRC-UHFFFAOYSA-N 2 0 515.706 4.266 1 0 KIAFRP S=C(NCCC[NH2+]CCCCCCC[NH2+]CCCNC(=S)NCc1ccccc1)NCc1ccccc1 ZINC000049035241 562663538 /nfs/dbraw/zinc/66/35/38/562663538.db2.gz KKQHZZXCHVVPQG-UHFFFAOYSA-N 2 0 542.863 4.225 1 0 KIAFRP COc1cc(C(=O)NC(=O)[C@H]2CCC[NH+](Cc3ccc(C[N@H+]4CCC[C@H](C(=O)NC(=O)c5cc(OC)c(OC)c(OC)c5)C4)cc3)C2)cc(OC)c1OC ZINC000049590071 562664855 /nfs/dbraw/zinc/66/48/55/562664855.db2.gz GEYPSQZHXMNWIM-NSOVKSMOSA-N 2 0 746.858 4.075 1 0 KIAFRP Cn1cc(NC(=O)c2ccc(C(O)c3ccc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000049615793 562666730 /nfs/dbraw/zinc/66/67/30/562666730.db2.gz MMSOBTBFWNZOOU-UHFFFAOYSA-N 2 0 736.918 4.381 1 0 KIAFRP CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)cc1 ZINC000049626136 562666995 /nfs/dbraw/zinc/66/69/95/562666995.db2.gz WXRKJXJURAERMG-BHYZAODMSA-N 2 0 615.775 4.317 1 0 KIAFRP CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)cc1 ZINC000049626138 562667021 /nfs/dbraw/zinc/66/70/21/562667021.db2.gz WXRKJXJURAERMG-CDZUIXILSA-N 2 0 615.775 4.317 1 0 KIAFRP NC(=[NH2+])c1ccc(NC(=O)c2cc(Sc3ccc(O)c(C(=O)Nc4ccc(C(N)=[NH2+])cc4)c3)ccc2O)cc1 ZINC000049626477 562667200 /nfs/dbraw/zinc/66/72/00/562667200.db2.gz SRFLSDMMBPMLSJ-UHFFFAOYSA-N 2 0 540.605 4.322 1 0 KIAFRP C[NH+](C)CCSc1cc(-c2nn(CCC[NH+]3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F ZINC000049649349 562667894 /nfs/dbraw/zinc/66/78/94/562667894.db2.gz XMUHUIQHGFGRKD-UHFFFAOYSA-N 2 0 656.841 4.017 1 0 KIAFRP Cn1cc(NC(=O)c2ccc(Cc3ccc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCC[NH+]1CCCC1 ZINC000049650157 562667996 /nfs/dbraw/zinc/66/79/96/562667996.db2.gz AHVSQKVABQOKOR-UHFFFAOYSA-N 2 0 692.865 4.110 1 0 KIAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000049695594 562670778 /nfs/dbraw/zinc/67/07/78/562670778.db2.gz NVNDSZWHCFDEAR-UCDLYESDSA-N 2 0 609.815 4.325 1 0 in-vitro KIAFRP CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000049708436 562670899 /nfs/dbraw/zinc/67/08/99/562670899.db2.gz ABHODCSECYTOLV-PIXGQMGXSA-N 2 0 595.788 4.064 1 0 KIAFRP C[NH+]1CCN(CCNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000049709506 562671345 /nfs/dbraw/zinc/67/13/45/562671345.db2.gz BXWXGVCDVQYCNW-HVHHDALESA-N 2 0 590.571 4.246 1 0 KIAFRP CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000049722995 562672814 /nfs/dbraw/zinc/67/28/14/562672814.db2.gz BWLSZCKRHLWKLH-PIXGQMGXSA-N 2 0 595.788 4.016 1 0 KIAFRP CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1C[N@H+](CC)Cc1ccccc1 ZINC000049722996 562672805 /nfs/dbraw/zinc/67/28/05/562672805.db2.gz ZHNPIYLLDWNMTK-UCDLYESDSA-N 2 0 609.815 4.406 1 0 KIAFRP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@H+]2C[C@]4(C[C@@H]5C[C@]67CC(=O)C[C@H]6CC[NH+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049768181 562677883 /nfs/dbraw/zinc/67/78/83/562677883.db2.gz PWQNZSCRPVJZJK-RBUYCUMVSA-N 2 0 730.906 4.353 1 0 KIAFRP COc1ccccc1C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)c3c2CC[NH2+]C3)CC1 ZINC000049777440 562680060 /nfs/dbraw/zinc/68/00/60/562680060.db2.gz ZUZALNURNUOFEB-VWLOTQADSA-N 2 0 673.802 4.415 1 0 KIAFRP COc1ccccc1C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)c3c2CC[NH2+]C3)CC1 ZINC000049777441 562680030 /nfs/dbraw/zinc/68/00/30/562680030.db2.gz ZUZALNURNUOFEB-RUZDIDTESA-N 2 0 673.802 4.415 1 0 KIAFRP Oc1ccc(CCNc2nc(NCCCOc3cccc(C[NH+]4CCCCC4)c3Cl)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000049777917 562680688 /nfs/dbraw/zinc/68/06/88/562680688.db2.gz MXXQZQBWEDQSIZ-UHFFFAOYSA-N 2 0 581.165 4.162 1 0 KIAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)C[C@@H]([NH3+])CCC[NH3+])CC5)CCCC4)c3Cl)c2n1 ZINC000049778183 562681049 /nfs/dbraw/zinc/68/10/49/562681049.db2.gz CSMQUTKOEXQGEE-DEOSSOPVSA-N 2 0 719.736 4.456 1 0 KIAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)[C@@H]([NH3+])CCC[NH+](C)C)CC4)c3Cl)c2n1 ZINC000049778242 562681071 /nfs/dbraw/zinc/68/10/71/562681071.db2.gz FWEDCBJKAGZGPE-SANMLTNESA-N 2 0 707.725 4.134 1 0 KIAFRP Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)C[C@@H]([NH3+])CCC[NH+](C)C)CC4)c3Cl)c2n1 ZINC000049780063 562681308 /nfs/dbraw/zinc/68/13/08/562681308.db2.gz NSSOKQCGRWKWIV-DEOSSOPVSA-N 2 0 707.725 4.216 1 0 KIAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000049780726 562682113 /nfs/dbraw/zinc/68/21/13/562682113.db2.gz XDEJCUHUPQEPPL-HHHXNRCGSA-N 2 0 726.932 4.160 1 0 KIAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000049780727 562682109 /nfs/dbraw/zinc/68/21/09/562682109.db2.gz XDEJCUHUPQEPPL-MHZLTWQESA-N 2 0 726.932 4.160 1 0 KIAFRP NC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049780864 562682413 /nfs/dbraw/zinc/68/24/13/562682413.db2.gz UYZBARWQZSYLIG-QFIPXVFZSA-N 2 0 612.738 4.379 1 0 KIAFRP C[NH+]1CCC(NC(=O)Nc2ccc(-c3nc4c(cnn4C4CC[NH+](Cc5ccccc5)CC4)c(N4CCOCC4)n3)cc2)CC1 ZINC000049784926 562683859 /nfs/dbraw/zinc/68/38/59/562683859.db2.gz AAHPRKDUIDQODH-UHFFFAOYSA-N 2 0 609.779 4.383 1 0 KIAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000049793305 562684706 /nfs/dbraw/zinc/68/47/06/562684706.db2.gz QQXKBDCCRRDXTJ-HSZRJFAPSA-N 2 0 647.805 4.259 1 0 KIAFRP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@H+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCC[C@H]5CC[NH+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1 ZINC000049793360 562684767 /nfs/dbraw/zinc/68/47/67/562684767.db2.gz GANUMCUPKWUEQY-YGXJUAHWSA-N 2 0 732.922 4.492 1 0 KIAFRP COCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793548 562684948 /nfs/dbraw/zinc/68/49/48/562684948.db2.gz LOYUKPFBRPALPM-DEOSSOPVSA-N 2 0 641.776 4.473 1 0 KIAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793648 562685049 /nfs/dbraw/zinc/68/50/49/562685049.db2.gz QQXKBDCCRRDXTJ-QHCPKHFHSA-N 2 0 647.805 4.259 1 0 KIAFRP C[NH2+]CCCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CCCC[NH2+]C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000049793674 562685065 /nfs/dbraw/zinc/68/50/65/562685065.db2.gz SCAGQPNFECNJTC-ROUUACIJSA-N 2 0 686.686 4.318 1 0 KIAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000049793762 562685176 /nfs/dbraw/zinc/68/51/76/562685176.db2.gz WZNCBGHMNHVSSB-HSZRJFAPSA-N 2 0 629.815 4.311 1 0 KIAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793763 562685179 /nfs/dbraw/zinc/68/51/79/562685179.db2.gz WZNCBGHMNHVSSB-QHCPKHFHSA-N 2 0 629.815 4.311 1 0 KIAFRP O=C(c1nc[nH]n1)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793764 562685170 /nfs/dbraw/zinc/68/51/70/562685170.db2.gz GVRLCOHGUAZGEO-QHCPKHFHSA-N 2 0 664.774 4.258 1 0 KIAFRP C[C@H](O)C(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793765 562685192 /nfs/dbraw/zinc/68/51/92/562685192.db2.gz IVDQXLRRIVWSRB-URXFXBBRSA-N 2 0 641.776 4.207 1 0 KIAFRP C[C@@H](O)C(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793766 562685150 /nfs/dbraw/zinc/68/51/50/562685150.db2.gz IVDQXLRRIVWSRB-QPPBQGQZSA-N 2 0 641.776 4.207 1 0 KIAFRP CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049807832 562686495 /nfs/dbraw/zinc/68/64/95/562686495.db2.gz SEZGALPGIRIHAV-CUBQBAPOSA-N 2 0 536.742 4.377 1 0 KIAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCCC[NH2+]CCNCCCNCC[NH2+]CCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049844760 562688581 /nfs/dbraw/zinc/68/85/81/562688581.db2.gz SOUGBXUQRKWGMK-UHFFFAOYSA-N 2 0 662.835 4.194 1 0 KIAFRP CCC[NH+]1CCN(c2nc(N3CC[NH+](CCC)CC3)nc(N3[C@H](c4ccc(OC)cc4)c4[nH]c5ccccc5c4C[C@H]3C(=O)OC)n2)CC1 ZINC000049853472 562688925 /nfs/dbraw/zinc/68/89/25/562688925.db2.gz CZZNQZBDJBWFTA-CQTOTRCISA-N 2 0 667.859 4.119 1 0 KIAFRP C[NH2+]C(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000049877911 562690337 /nfs/dbraw/zinc/69/03/37/562690337.db2.gz NZMDRDDPLHTBFV-LOSJGSFVSA-N 2 0 562.586 4.413 1 0 KIAFRP C[NH2+]C(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H]([NH3+])CC(C)C)CC1 ZINC000049877914 562690348 /nfs/dbraw/zinc/69/03/48/562690348.db2.gz NZMDRDDPLHTBFV-JWQCQUIFSA-N 2 0 562.586 4.413 1 0 KIAFRP OCC[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049888771 562691433 /nfs/dbraw/zinc/69/14/33/562691433.db2.gz YAZWKGZMTQWFEC-UHFFFAOYSA-N 2 0 653.795 4.428 1 0 KIAFRP [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)c1nc2ccccc2o1 ZINC000049898563 562692661 /nfs/dbraw/zinc/69/26/61/562692661.db2.gz FERQJTWOYXTDOT-CHQNGUEUSA-N 2 0 670.811 4.166 1 0 KIAFRP Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC4)c3Cl)c2n1 ZINC000049937652 562694987 /nfs/dbraw/zinc/69/49/87/562694987.db2.gz ZKIUMEFJMSVDOZ-SANMLTNESA-N 2 0 707.725 4.216 1 0 KIAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC5)CCCC4)c3Cl)c2n1 ZINC000049942496 562695541 /nfs/dbraw/zinc/69/55/41/562695541.db2.gz MIBABLYTRRUIAX-MHZLTWQESA-N 2 0 719.736 4.456 1 0 KIAFRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000049952351 562695781 /nfs/dbraw/zinc/69/57/81/562695781.db2.gz KFRZKOUCOUFIIC-QJKWIJLYSA-N 2 0 661.844 4.411 1 0 KIAFRP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000049952352 562695809 /nfs/dbraw/zinc/69/58/09/562695809.db2.gz KFRZKOUCOUFIIC-ZFCFJKLRSA-N 2 0 661.844 4.411 1 0 KIAFRP C[C@H](COC(=O)NCCC[NH2+]CCCC[NH3+])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058541939 562699005 /nfs/dbraw/zinc/69/90/05/562699005.db2.gz JZXBYOANJSEDGX-NVBMJFCCSA-N 2 0 521.787 4.058 1 0 KIAFRP CN1CC[NH+](CCC(=O)N[C@@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058566841 562699480 /nfs/dbraw/zinc/69/94/80/562699480.db2.gz ZHRHVAJQVGRZMO-ZIQMFUFLSA-N 2 0 500.731 4.325 1 0 KIAFRP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CC[NH2+]Cc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000058583271 562700062 /nfs/dbraw/zinc/70/00/62/562700062.db2.gz GWYYFHLBLLXQBW-SANMLTNESA-N 2 0 610.546 4.400 1 0 KIAFRP CC[NH+]1CCN(c2cc(N3CC[NH+](CC)CC3)nc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)n2)CC1 ZINC000058598564 562700758 /nfs/dbraw/zinc/70/07/58/562700758.db2.gz ZTPCBWCUAUBETJ-MGBGTMOVSA-N 2 0 594.764 4.123 1 0 KIAFRP CCC[NH+]1CCC(N2C[C@@H]([NH2+]C3CCCCCCC3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000058655706 562701383 /nfs/dbraw/zinc/70/13/83/562701383.db2.gz VJRBSHCWORMQJW-BDYUSTAISA-N 2 0 512.739 4.094 1 0 KIAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000064527625 562707117 /nfs/dbraw/zinc/70/71/17/562707117.db2.gz YRTJBUGCGGXTRV-PMERELPUSA-N 3 0 535.777 4.237 1 0 KIAFRP C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)N[C@H](C[NH+]5CCCC5)c5ccccc5)sc43)cc2)CC1 ZINC000064528351 562707308 /nfs/dbraw/zinc/70/73/08/562707308.db2.gz CVFGOMDPOQIAPD-RUZDIDTESA-N 2 0 557.724 4.195 1 0 KIAFRP CC(C)(c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000064539070 562707497 /nfs/dbraw/zinc/70/74/97/562707497.db2.gz KMIRQDUXRVFHEO-VSGBNLITSA-N 2 0 510.719 4.464 1 0 KIAFRP CC(C)(c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000064539071 562707505 /nfs/dbraw/zinc/70/75/05/562707505.db2.gz KMIRQDUXRVFHEO-HNRBIFIRSA-N 2 0 510.719 4.464 1 0 KIAFRP CC(C)(c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000064539072 562707479 /nfs/dbraw/zinc/70/74/79/562707479.db2.gz KMIRQDUXRVFHEO-NSOVKSMOSA-N 2 0 510.719 4.464 1 0 KIAFRP CC[NH+]1CCN(c2cc(N3CC[NH+](CC)CC3)nc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)n2)CC1 ZINC000064633621 562708969 /nfs/dbraw/zinc/70/89/69/562708969.db2.gz ZTPCBWCUAUBETJ-XIFFEERXSA-N 2 0 594.764 4.123 1 0 KIAFRP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074420 562709873 /nfs/dbraw/zinc/70/98/73/562709873.db2.gz KGMLFGARCJUMAB-LJAQVGFWSA-N 2 0 564.738 4.392 1 0 KIAFRP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074421 562709849 /nfs/dbraw/zinc/70/98/49/562709849.db2.gz KGMLFGARCJUMAB-GDLZYMKVSA-N 2 0 564.738 4.392 1 0 KIAFRP C[NH+](C)CCN1CCN(C(=O)C(C[NH3+])(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)CC1 ZINC000066077944 562710374 /nfs/dbraw/zinc/71/03/74/562710374.db2.gz QPBRWBZMCPNEFM-UHFFFAOYSA-N 2 0 508.710 4.429 1 0 KIAFRP C[NH+](C)CCN1CCN(C(=O)C(C[NH3+])(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000066148762 562713663 /nfs/dbraw/zinc/71/36/63/562713663.db2.gz YQMSMHNKRGSCAM-UHFFFAOYSA-N 2 0 544.584 4.160 1 0 KIAFRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2/c3cc(Cl)ccc3N(CCC[NH+](C)C)C2=O)c1C ZINC000071295235 562717145 /nfs/dbraw/zinc/71/71/45/562717145.db2.gz ZLVCLUMICKGDKK-XLNRJJMWSA-N 2 0 500.087 4.195 1 0 KIAFRP [NH3+]CCC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2NC(=O)CC[NH3+])nn1 ZINC000071295991 562717385 /nfs/dbraw/zinc/71/73/85/562717385.db2.gz SWUCXZANPANFSU-UHFFFAOYSA-N 2 0 540.468 4.423 1 0 KIAFRP C[C@H]1C=C(CCCCCCC[C@@H](O)C[NH2+]CCC[NH2+]C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071334878 562719647 /nfs/dbraw/zinc/71/96/47/562719647.db2.gz UROBYIKGJRUUMQ-YFVZOPNBSA-N 2 0 550.781 4.482 1 0 KIAFRP C[C@H]1C=C(CCCCCCC[C@@H](O)C[NH2+]CCC[NH2+]C[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071334883 562719616 /nfs/dbraw/zinc/71/96/16/562719616.db2.gz UROBYIKGJRUUMQ-LYWOHPCHSA-N 2 0 550.781 4.482 1 0 KIAFRP C[C@H]1C=C(CCCCCCC[C@H](O)C[NH2+]CCC[NH2+]C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071334884 562719637 /nfs/dbraw/zinc/71/96/37/562719637.db2.gz UROBYIKGJRUUMQ-NSIYGSDQSA-N 2 0 550.781 4.482 1 0 KIAFRP O=C1c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)S(=O)(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc1cc2 ZINC000072105981 562720857 /nfs/dbraw/zinc/72/08/57/562720857.db2.gz AHPNVOBTDCGCEG-UHFFFAOYSA-N 2 0 586.717 4.435 1 0 KIAFRP S=C(NCCC[NH2+]CCCCCC[NH2+]CCCNC(=S)Nc1ccccc1)Nc1ccccc1 ZINC000072106080 562720892 /nfs/dbraw/zinc/72/08/92/562720892.db2.gz OPEPCEKOMZUUQV-UHFFFAOYSA-N 2 0 500.782 4.479 1 0 KIAFRP CC[N@@H+]1CCCN(c2nc3cc(OCCC[NH+]4CCCC4)c(OC)cc3c(NC3CC[NH+](C(C)C)CC3)n2)CC1 ZINC000072114803 562722847 /nfs/dbraw/zinc/72/28/47/562722847.db2.gz IYHZRYFGYDCPKH-UHFFFAOYSA-N 3 0 553.796 4.320 1 0 KIAFRP O=S1(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)S(=O)(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc1cc2 ZINC000072121327 562724233 /nfs/dbraw/zinc/72/42/33/562724233.db2.gz HILPPELBGJCCHB-UHFFFAOYSA-N 2 0 622.772 4.037 1 0 KIAFRP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@@H]2[C@@]34CC[N@@H+]5C)[NH+](C)C ZINC000072122170 562724498 /nfs/dbraw/zinc/72/44/98/562724498.db2.gz XCSVQYRKBHKRNV-JQHWBTPISA-N 2 0 665.831 4.032 1 0 KIAFRP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@H]2[C@@]34CC[N@@H+]5C)[NH+](C)C ZINC000072122171 562724508 /nfs/dbraw/zinc/72/45/08/562724508.db2.gz XCSVQYRKBHKRNV-MCAOGJGXSA-N 2 0 665.831 4.032 1 0 KIAFRP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@@H]2[C@@]34CC[N@@H+]5C)[NH+](C)C ZINC000072122172 562724486 /nfs/dbraw/zinc/72/44/86/562724486.db2.gz XCSVQYRKBHKRNV-KOKFNTSOSA-N 2 0 665.831 4.032 1 0 KIAFRP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@H]2[C@@]34CC[N@@H+]5C)[NH+](C)C ZINC000072122173 562724469 /nfs/dbraw/zinc/72/44/69/562724469.db2.gz XCSVQYRKBHKRNV-FBEWACNMSA-N 2 0 665.831 4.032 1 0 KIAFRP Oc1ccc2c(c1)[C@]13CC[NH+](CC4CC4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CC2)C1 ZINC000072122842 562724633 /nfs/dbraw/zinc/72/46/33/562724633.db2.gz XBZDPVQCDIEQSU-JKRCZMJRSA-N 2 0 737.938 4.033 1 0 KIAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)C[NH+]3CCC4(CC3)OCCO4)c(C)c2)cc(C)c1OC[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000072147673 562729795 /nfs/dbraw/zinc/72/97/95/562729795.db2.gz HVQRRGGNLUQQLN-KKLWWLSJSA-N 2 0 682.899 4.403 1 0 KIAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)C[NH+]3CCC4(CC3)OCCO4)c(C)c2)cc(C)c1OC[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000072147674 562729788 /nfs/dbraw/zinc/72/97/88/562729788.db2.gz HVQRRGGNLUQQLN-AQOUDTPCSA-N 2 0 682.899 4.403 1 0 KIAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)C[NH+]3CCC4(CC3)OCCO4)c(C)c2)cc(C)c1OC[C@@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000072147675 562729785 /nfs/dbraw/zinc/72/97/85/562729785.db2.gz HVQRRGGNLUQQLN-HEVIKAOCSA-N 2 0 682.899 4.403 1 0 KIAFRP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@H+]2C[C@]4(C[C@@H]5C[C@]67CC(=O)O[C@H]6CC[NH+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000072173092 562730752 /nfs/dbraw/zinc/73/07/52/562730752.db2.gz RTWXKEHPBLKFOG-DWQSJKKASA-N 2 0 716.879 4.369 1 0 KIAFRP O[C@H](CNC([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072181852 562732802 /nfs/dbraw/zinc/73/28/02/562732802.db2.gz MBVHXSHTANVMDR-SPYBWZPUSA-N 2 0 504.519 4.263 1 0 KIAFRP O[C@@H](CNC([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072181853 562732805 /nfs/dbraw/zinc/73/28/05/562732805.db2.gz MBVHXSHTANVMDR-CLCXKQKWSA-N 2 0 504.519 4.263 1 0 KIAFRP NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3cc[nH+]cc32)CC1)C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1 ZINC000073165955 562734442 /nfs/dbraw/zinc/73/44/42/562734442.db2.gz MDFSYIMIGYFWGI-RTYUYELGSA-N 2 0 539.602 4.402 1 0 KIAFRP NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3cc[nH+]cc32)CC1)C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1 ZINC000073165958 562734421 /nfs/dbraw/zinc/73/44/21/562734421.db2.gz MDFSYIMIGYFWGI-LXRZIAOOSA-N 2 0 539.602 4.402 1 0 KIAFRP O=C(CC[NH+]1CCCC1)Nc1cc2cc(NC(=O)CC[NH+]3CCCC3)cc3c2c(c1)C(=O)N(CCC[NH+]1CCCCC1)C3=O ZINC000073195909 562734993 /nfs/dbraw/zinc/73/49/93/562734993.db2.gz JIQMOPBFMUDBJI-UHFFFAOYSA-N 3 0 602.780 4.161 1 0 KIAFRP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1)C1CCCCC1 ZINC000073197932 562735469 /nfs/dbraw/zinc/73/54/69/562735469.db2.gz GQJLIRHSQMGXCE-HTZJHERLSA-N 2 0 504.719 4.072 1 0 KIAFRP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[N@H+](CCCN2CC[NH+](C)CC2)CC3)CC1 ZINC000073197986 562735529 /nfs/dbraw/zinc/73/55/29/562735529.db2.gz UHWGNJCOPKVATP-KEANYWJXSA-N 3 0 515.790 4.046 1 0 KIAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC000082181662 562741852 /nfs/dbraw/zinc/74/18/52/562741852.db2.gz RINJWQDHHUYRSR-VMVDRLPDSA-N 2 0 627.805 4.464 1 0 KIAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccc(OC)cc1 ZINC000082181766 562741972 /nfs/dbraw/zinc/74/19/72/562741972.db2.gz PKJOFWLLGRGGPY-FFZGIQLDSA-N 2 0 639.841 4.333 1 0 KIAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000082181767 562741939 /nfs/dbraw/zinc/74/19/39/562741939.db2.gz IWDHAXQKFKAZRS-MCWJOJKXSA-N 2 0 627.805 4.464 1 0 KIAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000082182249 562742206 /nfs/dbraw/zinc/74/22/06/562742206.db2.gz RTINGDYJFFRKGJ-ZUYLYXQESA-N 2 0 667.851 4.111 1 0 KIAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000082195301 562742716 /nfs/dbraw/zinc/74/27/16/562742716.db2.gz FVAULEYZZJJPQP-MCWJOJKXSA-N 2 0 627.805 4.464 1 0 KIAFRP Cc1c(C)c(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)c(C)c(C)c1C[NH3+] ZINC000084324225 562742836 /nfs/dbraw/zinc/74/28/36/562742836.db2.gz WQVNIMGPTXTIGL-JDXGNMNLSA-N 2 0 512.698 4.146 1 0 KIAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]([NH3+])[C@@H]2CCc3ccccc32)CC1 ZINC000084598221 562743962 /nfs/dbraw/zinc/74/39/62/562743962.db2.gz LPXCUBHJKBBROC-XFGMUACXSA-N 2 0 643.276 4.176 1 0 KIAFRP CC[NH+](CC)CC(=O)Nc1cc2c3cc(NC(=O)C[NH+](CC)CC)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084671280 562748521 /nfs/dbraw/zinc/74/85/21/562748521.db2.gz NGFCKBCDEMOLQU-UHFFFAOYSA-N 2 0 555.687 4.253 1 0 KIAFRP CC[NH+](CC)CCCn1c(Cc2ccccc2)nnc1Sc1ccnc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000084672326 562748755 /nfs/dbraw/zinc/74/87/55/562748755.db2.gz UQZGTFLTRNXXFR-UHFFFAOYSA-N 2 0 543.745 4.264 1 0 KIAFRP C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000084687202 562748838 /nfs/dbraw/zinc/74/88/38/562748838.db2.gz FNEHFORNUBHMIE-OPDRTSFASA-N 2 0 610.906 4.204 1 0 KIAFRP O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084729438 562751548 /nfs/dbraw/zinc/75/15/48/562751548.db2.gz QPSPPWIGIBPKIQ-KKUQBAQOSA-N 2 0 543.539 4.001 1 0 KIAFRP O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084729446 562751534 /nfs/dbraw/zinc/75/15/34/562751534.db2.gz QPSPPWIGIBPKIQ-UODIDJSMSA-N 2 0 543.539 4.001 1 0 KIAFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5C[C@H](C)[NH2+]C[C@@H]5C)c4)ccc3F)c2)CC[NH2+]1 ZINC000084731971 562751755 /nfs/dbraw/zinc/75/17/55/562751755.db2.gz ABGFKVRVUBHWEK-SDHOMARFSA-N 2 0 543.731 4.399 1 0 KIAFRP CC[NH+](CC)CCCn1c(Sc2ccnc(N3CCN(c4cc[nH+]cc4)CC3)n2)nnc1-c1ccccc1 ZINC000084741446 562752187 /nfs/dbraw/zinc/75/21/87/562752187.db2.gz XQUSIKPSUZQPOC-UHFFFAOYSA-N 2 0 529.718 4.340 1 0 KIAFRP C[C@@H]1[NH2+][C@H](CC[C@H]2CCCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@]3(C)CC[NH2+][C@@H](Cc4cccc(c4)C2)C3)CC[C@H]1O ZINC000085488067 560075798 /nfs/dbraw/zinc/07/57/98/560075798.db2.gz BXSORZZDUUGHPC-RPZPKPSKSA-N 2 0 557.820 4.330 1 0 biogenic,in-vitro KIAFRP C[NH2+]C[C@H](C)CCC[C@H]1C[C@H]2[C@@H]3[NH2+][C@@H](C[NH2+]C)CC[C@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O ZINC000085547395 560072297 /nfs/dbraw/zinc/07/22/97/560072297.db2.gz HGFBLPHIPGTZSL-UXQORMFCSA-N 3 0 515.827 4.467 1 0 biogenic,in-vitro KIAFRP C[NH2+]C[C@H](C)CCC[C@H]1C[C@H]2[C@@H]3[NH2+][C@H](C[NH2+]C)CC[C@@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]4O)[C@](C)(C2)C1 ZINC000085547401 560072349 /nfs/dbraw/zinc/07/23/49/560072349.db2.gz SHPJEQBMSBAEBB-VBEWTHBCSA-N 3 0 539.849 4.489 1 0 biogenic,in-vitro KIAFRP C[NH2+]C[C@@H]1CC[C@@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@H](C)O)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]4O)[C@](C)(C2)C1 ZINC000085547406 560072382 /nfs/dbraw/zinc/07/23/82/560072382.db2.gz GVEFDHHXGVJQAU-ZRKUYDFTSA-N 2 0 512.779 4.014 1 0 biogenic,in-vitro KIAFRP CC[NH2+]COc1cc(OC)c2c3c1[C@H](C[NH2+]C)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567524 560070381 /nfs/dbraw/zinc/07/03/81/560070381.db2.gz FTSYNENTGNXBPQ-UKMWPXLWSA-N 2 0 577.678 4.025 1 0 biogenic,in-vitro KIAFRP CC[NH2+]Cc1cc(O)c(OCC[NH2+]C)cc1[C@H]1Oc2c(ccc3c2CCc2cc(O)cc(OC)c2-3)[C@@H]1COC(C)=O ZINC000085568441 560070175 /nfs/dbraw/zinc/07/01/75/560070175.db2.gz KWDIGKUCEHIVKR-XYFQYJLHSA-N 2 0 562.663 4.360 1 0 biogenic,in-vitro KIAFRP CC[NH2+][C@H](CCc1cc[nH+]c(N)c1)COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O ZINC000085596622 560063317 /nfs/dbraw/zinc/06/33/17/560063317.db2.gz XVTPNPRDLWFRHF-AQCTUAEDSA-N 2 0 581.710 4.296 1 0 biogenic,in-vitro KIAFRP CCC1(CC[C@H](C[C@@H](OC(=O)[C@H](C[NH2+]C)NC)C2(Cc3ccc(O)c(OC)c3)CC[NH2+]CC2)OC(C)=O)CCCC1 ZINC000085596799 560063231 /nfs/dbraw/zinc/06/32/31/560063231.db2.gz MVNRKIAXNFEDBM-UWPQIUOOSA-N 2 0 575.791 4.105 1 0 biogenic,in-vitro KIAFRP CNC(=[NH2+])NC[C@@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(O[C@H]3CC[NH2+]C4(CCCC4)C3)c2)OC(C)=O)CC[C@H]1C ZINC000085628159 560068720 /nfs/dbraw/zinc/06/87/20/560068720.db2.gz OWKQDQNZBBCUFV-CJQOFHKTSA-N 2 0 572.791 4.247 1 0 biogenic,in-vitro KIAFRP CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(O[C@H]2CC[NH2+]C3(CCCC3)C2)c1)OC(C)=O)CNC(=[NH2+])NC ZINC000085628245 291834883 /nfs/dbraw/zinc/83/48/83/291834883.db2.gz VGRBEGNHHFPAHS-DSYNPFFXSA-N 2 0 546.753 4.001 1 0 biogenic,in-vitro KIAFRP CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(O[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1)OC(C)=O)CNC(=[NH2+])NC ZINC000085628268 560068711 /nfs/dbraw/zinc/06/87/11/560068711.db2.gz VEYJOUMLDHYLPZ-YMIJDRNOSA-N 2 0 582.786 4.300 1 0 biogenic,in-vitro KIAFRP CC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)OC(C)=O)CNC(=[NH2+])NC1CCCCC1 ZINC000085628298 291834884 /nfs/dbraw/zinc/83/48/84/291834884.db2.gz JGRLXBFWPLEWRM-RXWNPYQGSA-N 2 0 560.780 4.391 1 0 biogenic,in-vitro KIAFRP CCCCC[C@H](C)[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)OC(C)=O)CNC(=[NH2+])NC ZINC000085628336 291831831 /nfs/dbraw/zinc/83/18/31/291831831.db2.gz UFEPZGRHTCHURU-RBYFDUNASA-N 2 0 562.796 4.495 1 0 biogenic,in-vitro KIAFRP Nc1[nH]c([C@H](CCNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH]c(N)[nH+]c2C=CCNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1 ZINC000095539395 562755021 /nfs/dbraw/zinc/75/50/21/562755021.db2.gz QLDOUIZDLPGMQO-VWCDRPFISA-N 2 0 778.102 4.399 1 0 KIAFRP Nc1[nH]cc(C(=CCNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH]c(N)[nH+]c2C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH+]1 ZINC000095539799 562755287 /nfs/dbraw/zinc/75/52/87/562755287.db2.gz HVSCSPHJFJDZCZ-BARZBYPCSA-N 2 0 776.086 4.308 1 0 KIAFRP Nc1[nH]c([C@H](CCNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH]c(N)[nH+]c2CCCNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1 ZINC000095539804 562755282 /nfs/dbraw/zinc/75/52/82/562755282.db2.gz MXRBWEXRDANRHZ-VIFPVBQESA-N 2 0 780.118 4.318 1 0 KIAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCOCC1 ZINC000095539905 562755352 /nfs/dbraw/zinc/75/53/52/562755352.db2.gz GGUJTJQWIKRQER-FQLXRVMXSA-N 2 0 567.174 4.341 1 0 KIAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCOCC1 ZINC000095539906 562755342 /nfs/dbraw/zinc/75/53/42/562755342.db2.gz GGUJTJQWIKRQER-URLMMPGGSA-N 2 0 567.174 4.341 1 0 KIAFRP C[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](CCCC[NH3+])NC(=O)COc1ccc2ccccc2c1-c1c(O)ccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095540066 562755495 /nfs/dbraw/zinc/75/54/95/562755495.db2.gz FBXCBNLJGAZPSK-AWMKSUOCSA-N 2 0 789.934 4.354 1 0 KIAFRP Cc1nc(C)c(C(=O)O[C@H]2C[C@H]3CC[N@@H+](C)[C@H]3[C@@H]3c4cc5c(cc4C(=O)O[C@@H]23)OCO5)cc1C(=O)O[C@H]1C[C@H]2CC[NH+](C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000095543420 562757237 /nfs/dbraw/zinc/75/72/37/562757237.db2.gz CJYOGPFDNAEALZ-BVORSCEZSA-N 2 0 793.826 4.300 1 0 KIAFRP CCC1=C[C@@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095544603 562757701 /nfs/dbraw/zinc/75/77/01/562757701.db2.gz MVSJGAXWYHBIQV-IELIFDKJSA-N 2 0 777.963 4.108 1 0 KIAFRP CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000095544636 562757750 /nfs/dbraw/zinc/75/77/50/562757750.db2.gz HEXMOKQFTWXZEC-GBFSBFEXSA-N 2 0 788.994 4.371 1 0 KIAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000095550141 562759930 /nfs/dbraw/zinc/75/99/30/562759930.db2.gz YLPXZIVYKARYGF-LJAQVGFWSA-N 2 0 763.789 4.295 1 0 KIAFRP [NH3+][C@@H](CC(=O)NC1(c2cccc(-c3cnc([C@@H]4CCCC[NH2+]4)s3)c2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000095559979 562762962 /nfs/dbraw/zinc/76/29/62/562762962.db2.gz DWQJEWLSPWZWQN-NOZRDPDXSA-N 2 0 570.756 4.244 1 0 KIAFRP [NH3+][C@@H](CC(=O)NC1(c2cccc(-c3cnc([C@H]4CCCC[NH2+]4)s3)c2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000095559980 562762944 /nfs/dbraw/zinc/76/29/44/562762944.db2.gz DWQJEWLSPWZWQN-ILBGXUMGSA-N 2 0 570.756 4.244 1 0 KIAFRP CN1CC[NH+](CCCC(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)CC1 ZINC000095560149 562762978 /nfs/dbraw/zinc/76/29/78/562762978.db2.gz KVIAKNCTDSRGFW-UHFFFAOYSA-N 2 0 524.113 4.280 1 0 KIAFRP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)C[NH2+]CCN2CCCCC2)nc2ccccc21 ZINC000095561839 562763513 /nfs/dbraw/zinc/76/35/13/562763513.db2.gz MFFFRNONEPQLBW-UHFFFAOYSA-N 2 0 524.113 4.328 1 0 KIAFRP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CC[NH2+]CCC[NH+](C)C)nc2ccccc21 ZINC000095562104 562763572 /nfs/dbraw/zinc/76/35/72/562763572.db2.gz TZEWBSPZWSEQJG-UHFFFAOYSA-N 3 0 512.102 4.184 1 0 KIAFRP [NH3+]CCCC[C@H]([NH2+][C@@H](CCc1ccccc1)CNC(=O)Nc1ccccc1)C(=O)NCc1ccccc1 ZINC000095564703 562764380 /nfs/dbraw/zinc/76/43/80/562764380.db2.gz OWHPPZFRRJMELI-NSOVKSMOSA-N 2 0 501.675 4.213 1 0 KIAFRP [NH3+]CCCC[C@H]([NH2+][C@H](CCc1ccccc1)CNC(=O)Nc1ccccc1)C(=O)NCc1ccccc1 ZINC000095564704 562764393 /nfs/dbraw/zinc/76/43/93/562764393.db2.gz OWHPPZFRRJMELI-IZLXSDGUSA-N 2 0 501.675 4.213 1 0 KIAFRP [NH3+]C1(C(=O)N[C@H](CCC[NH+]2CCCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000095582330 562772553 /nfs/dbraw/zinc/77/25/53/562772553.db2.gz YHWQEGXKPZBDKS-HSZRJFAPSA-N 2 0 510.086 4.033 1 0 KIAFRP [NH3+]C1(C(=O)N[C@@H](CCC[NH+]2CCCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000095582331 562772539 /nfs/dbraw/zinc/77/25/39/562772539.db2.gz YHWQEGXKPZBDKS-QHCPKHFHSA-N 2 0 510.086 4.033 1 0 KIAFRP [NH3+]CCCN(CCC[NH3+])CCOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095582636 562772651 /nfs/dbraw/zinc/77/26/51/562772651.db2.gz MPPAYSQETOUNIE-UHFFFAOYSA-N 2 0 561.543 4.446 1 0 KIAFRP C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000095587160 562774200 /nfs/dbraw/zinc/77/42/00/562774200.db2.gz XGGUSXCWAMHLLO-GOQOSDJISA-N 2 0 500.687 4.246 1 0 KIAFRP C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000095590896 562775387 /nfs/dbraw/zinc/77/53/87/562775387.db2.gz BBOQMUAMAHSMLF-XGJRVREISA-N 2 0 514.714 4.270 1 0 KIAFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1cccc(F)c1)CCc1cc2c(cc1-3)OCO2 ZINC000095593621 562776287 /nfs/dbraw/zinc/77/62/87/562776287.db2.gz CNSYNGMGRNGGED-UHFFFAOYSA-N 2 0 568.629 4.400 1 0 KIAFRP COc1ccc2cc3[n+](cc2c1OCCN(CCn1cncn1)Cc1ccccc1F)CCc1cc2c(cc1-3)OCO2 ZINC000095593680 562776284 /nfs/dbraw/zinc/77/62/84/562776284.db2.gz VYBDTFAEHYPEHP-UHFFFAOYSA-N 2 0 568.629 4.400 1 0 KIAFRP CC[C@]12C=CC[NH+]3CC[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 ZINC000095594610 562776523 /nfs/dbraw/zinc/77/65/23/562776523.db2.gz OBMKRZCOTHZPOB-UDMDOTTKSA-N 2 0 752.953 4.449 1 0 KIAFRP O[C@@H](COc1ccc(C2=Cc3ccc(OC[C@H](O)C[NH+]4CCCCC4)cc3OC2)cc1)C[NH+]1CCCCC1 ZINC000095601856 562779786 /nfs/dbraw/zinc/77/97/86/562779786.db2.gz RRTDCFASTWEWFX-VSGBNLITSA-N 2 0 522.686 4.071 1 0 KIAFRP O[C@@H](COc1ccc(C2=Cc3ccc(OC[C@@H](O)C[NH+]4CCCCC4)cc3OC2)cc1)C[NH+]1CCCCC1 ZINC000095601857 562779784 /nfs/dbraw/zinc/77/97/84/562779784.db2.gz RRTDCFASTWEWFX-IZLXSDGUSA-N 2 0 522.686 4.071 1 0 KIAFRP O[C@@H](COc1ccc2c(c1)OCC(c1ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc1)=C2)C[NH+]1CCCCC1 ZINC000095601858 562779780 /nfs/dbraw/zinc/77/97/80/562779780.db2.gz RRTDCFASTWEWFX-WUFINQPMSA-N 2 0 522.686 4.071 1 0 KIAFRP O[C@H](COc1ccc(C2=Cc3ccc(OC[C@@H](O)C[NH+]4CCCCC4)cc3OC2)cc1)C[NH+]1CCCCC1 ZINC000095601859 562779764 /nfs/dbraw/zinc/77/97/64/562779764.db2.gz RRTDCFASTWEWFX-NSOVKSMOSA-N 2 0 522.686 4.071 1 0 KIAFRP C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095602296 562779995 /nfs/dbraw/zinc/77/99/95/562779995.db2.gz ZCLFEQBFHRMJFK-GZNUUUAQSA-N 2 0 611.828 4.289 1 0 KIAFRP Nc1c(Br)cc(C[C@H](NC(=O)CCCc2ccccc2)C(=O)N[C@H](CCCC[NH3+])C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000095606763 562782416 /nfs/dbraw/zinc/78/24/16/562782416.db2.gz SWTMDXFOYCONIX-IHLOFXLRSA-N 2 0 757.572 4.202 1 0 KIAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CNC(=O)CCCC(=O)NCC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000095612574 562785614 /nfs/dbraw/zinc/78/56/14/562785614.db2.gz DSNSUQBBIJVZKB-UHFFFAOYSA-N 2 0 779.763 4.016 1 0 KIAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CCNC(=O)CCC(=O)NCCC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000095612616 562785662 /nfs/dbraw/zinc/78/56/62/562785662.db2.gz KZUDBAFGLCOODY-UHFFFAOYSA-N 2 0 793.790 4.406 1 0 KIAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCCCCNC(=O)C2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000095613023 562786009 /nfs/dbraw/zinc/78/60/09/562786009.db2.gz UZICMHIUCNUJMT-UHFFFAOYSA-N 2 0 779.763 4.158 1 0 KIAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)cc3)cc2)c1 ZINC000095890979 562790199 /nfs/dbraw/zinc/79/01/99/562790199.db2.gz IRNPQORUWWZTRZ-UHFFFAOYSA-P 2 0 586.652 4.345 1 0 KIAFRP COc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc[n+](C)c4)c(OC)c3)cc2)ccc1C(=O)Nc1ccc[n+](C)c1 ZINC000095890990 562790189 /nfs/dbraw/zinc/79/01/89/562790189.db2.gz XOUPSGDHUXIIEL-UHFFFAOYSA-P 2 0 646.704 4.362 1 0 KIAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)c(N)c4)cc3)cc2N)c1 ZINC000095890997 562790224 /nfs/dbraw/zinc/79/02/24/562790224.db2.gz APZAGDMNTOQQRL-UHFFFAOYSA-P 2 0 644.736 4.475 1 0 KIAFRP COc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc[n+](C)c3)cc2)ccc1C(=O)Nc1ccc(C(=O)Nc2ccc[n+](C)c2)cc1 ZINC000095891080 562790242 /nfs/dbraw/zinc/79/02/42/562790242.db2.gz WMQLWBVZRWRVPJ-UHFFFAOYSA-P 2 0 616.678 4.353 1 0 KIAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)c3)cc2)c1 ZINC000095891082 562790227 /nfs/dbraw/zinc/79/02/27/562790227.db2.gz GYQKEYWJZGNSBJ-UHFFFAOYSA-P 2 0 586.652 4.345 1 0 KIAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)c(N)c4)c(N)c3)cc2N)c1 ZINC000095891248 562790236 /nfs/dbraw/zinc/79/02/36/562790236.db2.gz CGPQFQBEFHUSEL-UHFFFAOYSA-P 2 0 659.751 4.057 1 0 KIAFRP CN1CC[NH+](C2CCN(c3ccc(-c4cccn5nc(Nc6cccc(N7CC[NH+](C)CC7)c6)nc45)cc3)CC2)CC1 ZINC000096169725 562790859 /nfs/dbraw/zinc/79/08/59/562790859.db2.gz JRZYQSWRVKTLRS-UHFFFAOYSA-N 2 0 565.770 4.108 1 0 KIAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@]2([NH3+])CCc3ccccc3C2)CC1 ZINC000096306988 562796370 /nfs/dbraw/zinc/79/63/70/562796370.db2.gz SCQCUIDAIVTNEN-GPNLQXFVSA-N 2 0 643.276 4.005 1 0 KIAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@]2([NH3+])CCc3ccccc3C2)CC1 ZINC000096306990 562796380 /nfs/dbraw/zinc/79/63/80/562796380.db2.gz SCQCUIDAIVTNEN-VZUPCPEBSA-N 2 0 643.276 4.005 1 0 KIAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000096306992 562796366 /nfs/dbraw/zinc/79/63/66/562796366.db2.gz IQEGHBZHMJPPPE-XXZALLQVSA-N 2 0 643.276 4.396 1 0 KIAFRP C[NH+](C)CCCNc1nc(-c2ccccc2NC(=O)c2ccc(NC(=O)CCN3CC[NH+](C)CC3)cc2)nc2ccccc21 ZINC000096908888 562799485 /nfs/dbraw/zinc/79/94/85/562799485.db2.gz QTMMDLGUGMUAND-UHFFFAOYSA-N 2 0 594.764 4.489 1 0 KIAFRP C[NH+]1CCC2=C[C@H](OC(=O)c3cccc(C(=O)O[C@H]4C=C5CC[N@@H+](C)[C@H]5[C@@H]5c6cc7c(cc6C(=O)O[C@H]45)OCO7)c3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096909167 562799517 /nfs/dbraw/zinc/79/95/17/562799517.db2.gz VLNLZAOOXFCEOD-VYJPBRPUSA-N 2 0 760.752 4.129 1 0 KIAFRP C[NH+]1CCC2=C[C@H](OC(=O)c3ccc(C(=O)O[C@H]4C=C5CC[N@@H+](C)[C@H]5[C@@H]5c6cc7c(cc6C(=O)O[C@H]45)OCO7)cc3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096909169 562799509 /nfs/dbraw/zinc/79/95/09/562799509.db2.gz JRGIHKUPFMUJAJ-VYJPBRPUSA-N 2 0 760.752 4.129 1 0 KIAFRP CN1CC[NH+](C23C[C@@H](NC(=O)C[NH+]4CCCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921594 562801483 /nfs/dbraw/zinc/80/14/83/562801483.db2.gz ZKNKOWOWSYGTCT-GJTYJFQVSA-N 2 0 500.731 4.325 1 0 KIAFRP CN1CC[NH+](C23C[C@@H](NC(=O)CC[NH+]4CCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921601 562801478 /nfs/dbraw/zinc/80/14/78/562801478.db2.gz SXCZRGFUEGEMKT-GJTYJFQVSA-N 2 0 500.731 4.325 1 0 KIAFRP CN1CC[NH+](C23C[C@@H]([NH2+]CCC(=O)N4CCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921611 562801470 /nfs/dbraw/zinc/80/14/70/562801470.db2.gz CYBYHJDWAJWZII-GJTYJFQVSA-N 2 0 500.731 4.325 1 0 KIAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-n2cc(-c3ccc4ccc(-c5cn(-c6cc(OCCC[NH3+])cc(OCCC[NH3+])c6)nn5)cc4c3)nn2)c1 ZINC000096933243 562803560 /nfs/dbraw/zinc/80/35/60/562803560.db2.gz RVTQMXQNXGSNEG-UHFFFAOYSA-N 4 0 706.852 4.246 1 0 KIAFRP [NH3+]CCCOc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(OCCC[NH3+])c(OCCC[NH3+])c6)nn5)cc4c3)nn2)cc1OCCC[NH3+] ZINC000096933244 562803544 /nfs/dbraw/zinc/80/35/44/562803544.db2.gz MHPVTYIOHAUOCW-UHFFFAOYSA-N 4 0 706.852 4.246 1 0 KIAFRP COc1ccc(OC)c(CC(=O)NCCC[NH2+]CCCCCCCC[NH2+]CCCNC(=O)Cc2cc(OC)ccc2OC)c1 ZINC000096935045 562804002 /nfs/dbraw/zinc/80/40/02/562804002.db2.gz OUJGGEWZJSZKHI-UHFFFAOYSA-N 2 0 614.828 4.039 1 0 KIAFRP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)cc3)cc(N(C)C3CC[NH2+]CC3)c2C)c(=O)[nH]1 ZINC000098186118 562805915 /nfs/dbraw/zinc/80/59/15/562805915.db2.gz QUMJHEAMCIWJCI-UHFFFAOYSA-N 2 0 515.702 4.147 1 0 KIAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000098207840 562805928 /nfs/dbraw/zinc/80/59/28/562805928.db2.gz ZLCINVZAICQINL-MHZLTWQESA-N 2 0 602.588 4.421 1 0 in-vitro KIAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000100043252 562806383 /nfs/dbraw/zinc/80/63/83/562806383.db2.gz VLOYTQPFWGGMKU-SLPYKNDMSA-N 2 0 591.709 4.450 1 0 in-vivo KIAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000100058468 562806515 /nfs/dbraw/zinc/80/65/15/562806515.db2.gz MUOJZQJKQQSHSN-SVNRFNMRSA-N 2 0 561.683 4.488 1 0 KIAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000100058529 562806511 /nfs/dbraw/zinc/80/65/11/562806511.db2.gz SBSLZGOLLHEECB-SLPYKNDMSA-N 2 0 591.709 4.496 1 0 KIAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4O)CC3)c2)C1C(=O)OC ZINC000100058606 562806530 /nfs/dbraw/zinc/80/65/30/562806530.db2.gz DVUOLRXHRNQYNQ-NPAJZZOTSA-N 2 0 577.682 4.193 1 0 KIAFRP CC(C)n1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCC[NH+]2CCC(CNS(C)(=O)=O)CC2)c2ccccc21 ZINC000101514843 562811233 /nfs/dbraw/zinc/81/12/33/562811233.db2.gz OEAJJYGHOQHLLC-LGKQTMLJSA-N 2 0 586.847 4.164 1 0 KIAFRP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCC[NH+]2CCC[C@@H]2C(N)=O)c1=O ZINC000101756737 562812079 /nfs/dbraw/zinc/81/20/79/562812079.db2.gz WYNXEKYLFMUSEO-GFQWBHFJSA-N 2 0 549.760 4.208 1 0 KIAFRP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCC[NH+](C)CCCN(C)S(C)(=O)=O)c1=O ZINC000101795749 562812111 /nfs/dbraw/zinc/81/21/11/562812111.db2.gz OZOUMOAFNFHRMX-PKQPGRETSA-N 2 0 615.885 4.471 1 0 KIAFRP C[C@H]1NC(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+][C@@H](C)[C@H](C)N5)cc4)cc3)cc2)=[NH+][C@@H]1C ZINC000105104630 562825147 /nfs/dbraw/zinc/82/51/47/562825147.db2.gz OTOMHKCCBNJVCK-XLLXOSNRSA-N 2 0 508.626 4.445 1 0 KIAFRP CC[NH+](CC)[C@@H]1CCN(c2cc(C(=O)Nc3cccc([C@@H](C[NH+](C)C)Nc4ncnc5c(C(N)=O)cccc45)c3)ccn2)C1 ZINC000114348324 562828062 /nfs/dbraw/zinc/82/80/62/562828062.db2.gz JHGDIFKUZFGJGH-LEAFIULHSA-N 2 0 595.752 4.011 1 0 KIAFRP CC[NH+](CC)[C@H]1CCN(c2cc(C(=O)Nc3cccc([C@@H](C[NH+](C)C)Nc4ncnc5c(C(N)=O)cccc45)c3)ccn2)C1 ZINC000114348326 562828059 /nfs/dbraw/zinc/82/80/59/562828059.db2.gz JHGDIFKUZFGJGH-LBNVMWSVSA-N 2 0 595.752 4.011 1 0 KIAFRP CCOC(=O)N1CCC(NC(=O)c2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)CC1 ZINC000114708239 562828449 /nfs/dbraw/zinc/82/84/49/562828449.db2.gz LQPXOQHEZBEHNV-UHFFFAOYSA-N 2 0 544.612 4.190 1 0 KIAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000114725167 562828452 /nfs/dbraw/zinc/82/84/52/562828452.db2.gz UFWFYDYOFNNXQW-UHFFFAOYSA-N 3 0 500.603 4.040 1 0 KIAFRP CC(C)[NH2+]CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114978376 562828542 /nfs/dbraw/zinc/82/85/42/562828542.db2.gz QNJDZYLFPXJGRH-SANMLTNESA-N 2 0 520.139 4.335 1 0 KIAFRP CC(C)[NH2+]CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114978378 562828551 /nfs/dbraw/zinc/82/85/51/562828551.db2.gz QNJDZYLFPXJGRH-AREMUKBSSA-N 2 0 520.139 4.335 1 0 KIAFRP CCCS(=O)(=O)N(CC[NH3+])CCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980049 562828600 /nfs/dbraw/zinc/82/86/00/562828600.db2.gz RTZMOJNFHOLHID-VWLOTQADSA-N 2 0 506.112 4.028 1 0 KIAFRP CCCS(=O)(=O)N(CC[NH3+])CCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980051 562828614 /nfs/dbraw/zinc/82/86/14/562828614.db2.gz RTZMOJNFHOLHID-RUZDIDTESA-N 2 0 506.112 4.028 1 0 KIAFRP C[C@@H]1CN(Cc2cccc(C(=O)NCc3ccc(F)c(-c4cccc(CN5CC[NH2+][C@@H](C)C5)c4)c3)c2)[C@@H](C)C[NH2+]1 ZINC000116719703 562829475 /nfs/dbraw/zinc/82/94/75/562829475.db2.gz ABGFKVRVUBHWEK-GVAUOCQISA-N 2 0 543.731 4.399 1 0 KIAFRP O=S(=O)(CC[NH+]1CCCCC1)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117333364 562829717 /nfs/dbraw/zinc/82/97/17/562829717.db2.gz OSYFPOKELPAJRL-HHHXNRCGSA-N 2 0 532.150 4.433 1 0 KIAFRP O=S(=O)(CC[NH+]1CCCCC1)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117333368 562829738 /nfs/dbraw/zinc/82/97/38/562829738.db2.gz OSYFPOKELPAJRL-MHZLTWQESA-N 2 0 532.150 4.433 1 0 KIAFRP CCC[NH2+]CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117360877 562829798 /nfs/dbraw/zinc/82/97/98/562829798.db2.gz KFLPSIMSFHENAV-SANMLTNESA-N 2 0 520.139 4.337 1 0 KIAFRP CCC[NH2+]CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117360879 562829799 /nfs/dbraw/zinc/82/97/99/562829799.db2.gz KFLPSIMSFHENAV-AREMUKBSSA-N 2 0 520.139 4.337 1 0 KIAFRP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)c(F)cc43)[C@H]2c2cccc(Cl)c2)CC1 ZINC000144213996 562835944 /nfs/dbraw/zinc/83/59/44/562835944.db2.gz RWOXESFVJKFUSP-QQZZJUGLSA-N 2 0 618.581 4.115 1 0 KIAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)N2CC[NH2+]CC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000144384862 562836192 /nfs/dbraw/zinc/83/61/92/562836192.db2.gz BFVJDEREIGXMRB-IDIXZGLXSA-N 2 0 533.475 4.315 1 0 KIAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[NH+]2CCC(O)CC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146798053 562838821 /nfs/dbraw/zinc/83/88/21/562838821.db2.gz JONMIQIHZVPUFE-PYOQLBSMSA-N 2 0 591.555 4.456 1 0 KIAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CC[NH+](CCO)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146803322 562838845 /nfs/dbraw/zinc/83/88/45/562838845.db2.gz WBZUWLYAOUGKLA-HVHHDALESA-N 2 0 591.555 4.456 1 0 KIAFRP COCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCOC)c4)cc3)ccc21 ZINC000146818472 562838829 /nfs/dbraw/zinc/83/88/29/562838829.db2.gz TWDRIAKNVAUHRL-UHFFFAOYSA-P 2 0 536.632 4.365 1 0 KIAFRP C[NH2+]C[C@@H](O)CCNC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1ccc(F)c(Cl)c1 ZINC000146826066 562838833 /nfs/dbraw/zinc/83/88/33/562838833.db2.gz WDFCDLJQBVQULI-AXJGOAPESA-N 2 0 583.507 4.109 1 0 KIAFRP C[NH+]1CCN(CCNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)c(F)cc43)[C@H]2c2cccc(Cl)c2)CC1 ZINC000146974759 562839030 /nfs/dbraw/zinc/83/90/30/562839030.db2.gz KSUKTXCLPYRKPU-PYOQLBSMSA-N 2 0 590.571 4.246 1 0 KIAFRP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)nc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000147083099 562839147 /nfs/dbraw/zinc/83/91/47/562839147.db2.gz VKWWPDDRNRHXJE-YOCNBXQISA-N 2 0 530.717 4.060 1 0 KIAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147154131 562839176 /nfs/dbraw/zinc/83/91/76/562839176.db2.gz HQFBGVNJAFEMRY-HXXBZNTPSA-N 2 0 577.528 4.066 1 0 KIAFRP C[NH+]1CCC(C[NH+]2CCN(c3nc(N)c4ncnc(Nc5cccc(C(=O)Nc6cccc(C(F)(F)F)c6)c5)c4n3)CC2)CC1 ZINC000148034296 562839906 /nfs/dbraw/zinc/83/99/06/562839906.db2.gz UDAOVXAQEKGBRT-UHFFFAOYSA-N 2 0 620.684 4.481 1 0 KIAFRP Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CC[NH+]2CCCC2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148177321 562840472 /nfs/dbraw/zinc/84/04/72/562840472.db2.gz KLXHDPNNJQFYGT-UHFFFAOYSA-N 2 0 634.789 4.196 1 0 KIAFRP C[NH+]1CCC(C[NH+]2CCN(c3ncc4ncnc(Nc5cc(C(=O)Nc6cc(C(C)(C)C)on6)ccc5F)c4n3)CC2)CC1 ZINC000148274927 562840811 /nfs/dbraw/zinc/84/08/11/562840811.db2.gz SFCOYXWITDBRQL-UHFFFAOYSA-N 2 0 602.719 4.304 1 0 KIAFRP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000148289354 562840843 /nfs/dbraw/zinc/84/08/43/562840843.db2.gz BXTMJTSRPUADRB-UHFFFAOYSA-N 2 0 611.799 4.219 1 0 KIAFRP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000148289992 562840920 /nfs/dbraw/zinc/84/09/20/562840920.db2.gz FATPAUXKHDGDBX-UHFFFAOYSA-N 2 0 597.772 4.209 1 0 KIAFRP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000148290223 562840888 /nfs/dbraw/zinc/84/08/88/562840888.db2.gz MSOJNDDNWYJKLW-UHFFFAOYSA-N 2 0 598.756 4.473 1 0 KIAFRP C#[N+]c1cc(NCC(=O)N[C@H]2C[C@@H]([NH+]3CCC(O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 ZINC000149655529 562842758 /nfs/dbraw/zinc/84/27/58/562842758.db2.gz VFEJIGVQRKISNQ-QAQDUYKDSA-N 2 0 530.576 4.304 1 0 KIAFRP C[NH+]1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CC[N@@H+](C)[C@@H](c5ccccc5)C4)cc3)cc2)C[C@H]1c1ccccc1 ZINC000150582534 562845567 /nfs/dbraw/zinc/84/55/67/562845567.db2.gz ZGQFBCCNVXJWLQ-JXLNJXQWSA-P 4 0 714.871 4.195 1 0 KIAFRP CCOC(=O)C[C@H]([NH2+]CCC[NH2+][C@@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000150613096 562848657 /nfs/dbraw/zinc/84/86/57/562848657.db2.gz SOTNZZQJQQNKRQ-LXOQGSCISA-N 2 0 770.917 4.123 1 0 KIAFRP CCOC(=O)C[C@@H]([NH2+]CCC[NH2+][C@@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000150613097 562848643 /nfs/dbraw/zinc/84/86/43/562848643.db2.gz SOTNZZQJQQNKRQ-LDEKTHDVSA-N 2 0 770.917 4.123 1 0 KIAFRP CCOC(=O)C[C@@H]([NH2+]CCC[NH2+][C@@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000150613099 562848629 /nfs/dbraw/zinc/84/86/29/562848629.db2.gz SOTNZZQJQQNKRQ-CGONDXIBSA-N 2 0 770.917 4.123 1 0 KIAFRP CCOC(=O)C[C@@H]([NH2+]CCC[NH2+][C@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000150613100 562848680 /nfs/dbraw/zinc/84/86/80/562848680.db2.gz SOTNZZQJQQNKRQ-FRZMDUKZSA-N 2 0 770.917 4.123 1 0 KIAFRP CCn1c(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000164734203 562849749 /nfs/dbraw/zinc/84/97/49/562849749.db2.gz NWGMEQIFMBPFMZ-UHFFFAOYSA-N 2 0 658.075 4.133 1 0 KIAFRP COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc12 ZINC000165255614 562849948 /nfs/dbraw/zinc/84/99/48/562849948.db2.gz NNYLDUKSYGGCJJ-UHFFFAOYSA-N 2 0 650.710 4.489 1 0 KIAFRP Cc1ccc(NC(=O)c2cc(N3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000166184972 562850369 /nfs/dbraw/zinc/85/03/69/562850369.db2.gz OOPIZRSEVSTBRB-UHFFFAOYSA-N 2 0 622.700 4.493 1 0 KIAFRP [NH3+][C@H]1C[C@H](OC(=O)c2ccccc2)CN(c2cc[nH+]cc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1 ZINC000167323758 562850725 /nfs/dbraw/zinc/85/07/25/562850725.db2.gz TUBFODOWKUPMBD-ROUUACIJSA-N 2 0 535.576 4.499 1 0 KIAFRP NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3cc[nH+]cc32)CC1)C1CCN(C(=O)C=Cc2ccc(F)cc2)CC1 ZINC000168123764 562851260 /nfs/dbraw/zinc/85/12/60/562851260.db2.gz ZSHSVZGSKROVBG-XTEOIBKWSA-N 2 0 503.622 4.124 1 0 KIAFRP NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3cc[nH+]cc32)CC1)C1CCN(C(=O)C=Cc2ccc(F)cc2)CC1 ZINC000168123861 562851265 /nfs/dbraw/zinc/85/12/65/562851265.db2.gz ZSHSVZGSKROVBG-DQZANRAXSA-N 2 0 503.622 4.124 1 0 KIAFRP COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(N[C@@H]3Cc4cc(Cl)ccc4N3)c2cc1OC ZINC000169293837 562852179 /nfs/dbraw/zinc/85/21/79/562852179.db2.gz JIBXTTIJVWINIF-DNOBIOAJSA-N 2 0 553.107 4.380 1 0 KIAFRP CCC1=C[C@@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169295633 562852401 /nfs/dbraw/zinc/85/24/01/562852401.db2.gz MVSJGAXWYHBIQV-SULIYOFUSA-N 2 0 777.963 4.108 1 0 KIAFRP CN1CC[NH+](C23C[C@H](NC(=O)C[NH+]4CCCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298840 562852693 /nfs/dbraw/zinc/85/26/93/562852693.db2.gz ZKNKOWOWSYGTCT-AVEWUVIBSA-N 2 0 500.731 4.325 1 0 KIAFRP CN1CC[NH+](C23C[C@H](NC(=O)CC[NH+]4CCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298846 562852688 /nfs/dbraw/zinc/85/26/88/562852688.db2.gz SXCZRGFUEGEMKT-AVEWUVIBSA-N 2 0 500.731 4.325 1 0 KIAFRP CN1CC[NH+](C23C[C@H]([NH2+]CCC(=O)N4CCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298856 562852699 /nfs/dbraw/zinc/85/26/99/562852699.db2.gz CYBYHJDWAJWZII-AVEWUVIBSA-N 2 0 500.731 4.325 1 0 KIAFRP C[NH+]1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CC[N@@H+](C)[C@@H](c5ccccc5)C4)cc3)cc2)C[C@@H]1c1ccccc1 ZINC000169304818 562853398 /nfs/dbraw/zinc/85/33/98/562853398.db2.gz ZGQFBCCNVXJWLQ-FZNHDDJXSA-P 4 0 714.871 4.195 1 0 KIAFRP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CC[NH+](C)C)c2)n1 ZINC000169310607 562854865 /nfs/dbraw/zinc/85/48/65/562854865.db2.gz MHHOXOROYCKYPG-UHFFFAOYSA-N 2 0 540.068 4.317 1 0 KIAFRP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCN3CC[NH+](C)CC3)c2)n1 ZINC000169310614 562854905 /nfs/dbraw/zinc/85/49/05/562854905.db2.gz ILYBFMOXMXGGJH-UHFFFAOYSA-N 2 0 595.148 4.002 1 0 KIAFRP NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2I)c(I)c1 ZINC000169318675 562856089 /nfs/dbraw/zinc/85/60/89/562856089.db2.gz XSKGQJKVEKGRNA-UHFFFAOYSA-N 2 0 592.219 4.092 1 0 KIAFRP NC(=[NH2+])c1ccc(OCc2cc(COc3ccc(C(N)=[NH2+])cc3)cc(COc3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000169318689 562856104 /nfs/dbraw/zinc/85/61/04/562856104.db2.gz MEXFTCPLIHLBSF-UHFFFAOYSA-N 3 0 522.609 4.276 1 0 KIAFRP NC(=[NH2+])c1cccc(OCc2cc(COc3cccc(C(N)=[NH2+])c3)cc(COc3cccc(C(N)=[NH2+])c3)c2)c1 ZINC000169318697 562856092 /nfs/dbraw/zinc/85/60/92/562856092.db2.gz LLDOKDCPNKKICR-UHFFFAOYSA-N 3 0 522.609 4.276 1 0 KIAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(Cl)c3Cl)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000169323411 562857012 /nfs/dbraw/zinc/85/70/12/562857012.db2.gz UXPIHWCOQPNKRS-SANMLTNESA-N 2 0 602.588 4.421 1 0 KIAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000169323417 562857045 /nfs/dbraw/zinc/85/70/45/562857045.db2.gz GJPPSRQGPWOXMV-MHZLTWQESA-N 2 0 602.588 4.421 1 0 KIAFRP CCOc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)c(Cl)c1 ZINC000169323423 562857062 /nfs/dbraw/zinc/85/70/62/562857062.db2.gz NRLHRRLCQPZVFI-LJAQVGFWSA-N 2 0 612.196 4.167 1 0 KIAFRP CSc1ccc(NC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc2ccc(SC)cc2)cc1 ZINC000169337221 562859975 /nfs/dbraw/zinc/85/99/75/562859975.db2.gz FFCBNIQPVFMUPY-UHFFFAOYSA-N 4 0 528.756 4.312 1 0 KIAFRP CCCCS(=O)(=O)c1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(S(=O)(=O)CCCC)cc2)cc1 ZINC000169337234 562859980 /nfs/dbraw/zinc/85/99/80/562859980.db2.gz WAPLWTZXTUZHLR-UHFFFAOYSA-N 2 0 676.914 4.016 1 0 KIAFRP O=C(CCOCCc1cccc(Cl)c1)N(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)CC[NH+]1CCCCC1 ZINC000169346900 562861868 /nfs/dbraw/zinc/86/18/68/562861868.db2.gz AYZITMUOLMTNQG-UHFFFAOYSA-N 2 0 575.175 4.045 1 0 KIAFRP [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2s1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000169349242 562862447 /nfs/dbraw/zinc/86/24/47/562862447.db2.gz ABEOUDUTXXUZON-OIDHKYIRSA-N 2 0 751.958 4.392 1 0 KIAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)NCC3CCC(O)CC3)c2)cc1 ZINC000169353142 562863370 /nfs/dbraw/zinc/86/33/70/562863370.db2.gz JWWYJRJFZRVMBC-UHFFFAOYSA-N 2 0 501.587 4.120 1 0 KIAFRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](COC(=O)[C@@H]([NH3+])C(C)C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698165 562866947 /nfs/dbraw/zinc/86/69/47/562866947.db2.gz JYUNJVCQDWQLLI-ATACATFBSA-N 2 0 750.948 4.453 1 0 KIAFRP CC(C)[C@H]([NH3+])C(=O)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)[C@@H]([NH3+])C(C)C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698166 562866955 /nfs/dbraw/zinc/86/69/55/562866955.db2.gz JYUNJVCQDWQLLI-HHGOQMMWSA-N 2 0 750.948 4.453 1 0 KIAFRP O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](COC(=O)C3CC[NH2+]CC3)c3ccccc3)s2)s1)[C@@H](COC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000169698179 562866940 /nfs/dbraw/zinc/86/69/40/562866940.db2.gz VRFRYKZXKZMFMP-KYJUHHDHSA-N 2 0 774.970 4.485 1 0 KIAFRP O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)C3CC[NH2+]CC3)c3ccccc3)s2)s1)[C@@H](COC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000169698180 562866984 /nfs/dbraw/zinc/86/69/84/562866984.db2.gz VRFRYKZXKZMFMP-RNPORBBMSA-N 2 0 774.970 4.485 1 0 KIAFRP O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)C3CC[NH2+]CC3)c3ccccc3)s2)s1)[C@H](COC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000169698181 562866972 /nfs/dbraw/zinc/86/69/72/562866972.db2.gz VRFRYKZXKZMFMP-LOYHVIPDSA-N 2 0 774.970 4.485 1 0 KIAFRP CN1CC[NH+](C23C[C@H](c4ccccc4)C([C@@H](c4ccccc4)C2)[N@H+](CCCN2CC[NH+](C)CC2)CC3)CC1 ZINC000195448533 562871903 /nfs/dbraw/zinc/87/19/03/562871903.db2.gz UHWGNJCOPKVATP-AOQDKHGRSA-N 3 0 515.790 4.046 1 0 KIAFRP C[NH+]1CC(CNc2cc(N3CC[NH+](C)CC3)ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc32)C1 ZINC000200763152 562873444 /nfs/dbraw/zinc/87/34/44/562873444.db2.gz XSJJLTUTXVNLLI-UHFFFAOYSA-N 2 0 559.665 4.410 1 0 KIAFRP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[C@@H](NC(=O)C[NH+]2CCCCC2)C3)CC1 ZINC000205390956 562875288 /nfs/dbraw/zinc/87/52/88/562875288.db2.gz ZKNKOWOWSYGTCT-XVCJHKRJSA-N 2 0 500.731 4.325 1 0 KIAFRP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[C@@H](NC(=O)CC[NH+]2CCCC2)C3)CC1 ZINC000205390980 562875303 /nfs/dbraw/zinc/87/53/03/562875303.db2.gz SXCZRGFUEGEMKT-XVCJHKRJSA-N 2 0 500.731 4.325 1 0 KIAFRP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[C@@H]([NH2+]CCC(=O)N2CCCC2)C3)CC1 ZINC000205392444 562875323 /nfs/dbraw/zinc/87/53/23/562875323.db2.gz CYBYHJDWAJWZII-XVCJHKRJSA-N 2 0 500.731 4.325 1 0 KIAFRP CCN(c1cc(-c2ccc(C[NH2+]CCC[NH3+])cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715889 562875778 /nfs/dbraw/zinc/87/57/78/562875778.db2.gz IWGFLZHEUMELBO-UHFFFAOYSA-N 2 0 559.755 4.341 1 0 KIAFRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc([C@@H]5CC[NH2+]C5)n4)cc32)c1C ZINC000221771479 562879221 /nfs/dbraw/zinc/87/92/21/562879221.db2.gz GMLYDFSEEPYFCG-IDCRMVTHSA-N 2 0 532.714 4.396 1 0 KIAFRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc([C@H]5CC[NH2+]C5)n4)cc32)c1C ZINC000221771533 562879217 /nfs/dbraw/zinc/87/92/17/562879217.db2.gz GMLYDFSEEPYFCG-ALFKQNEGSA-N 2 0 532.714 4.396 1 0 KIAFRP C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253636168 562882321 /nfs/dbraw/zinc/88/23/21/562882321.db2.gz POEPECHZOIYDPM-GEJYRFSVSA-N 3 0 530.842 4.377 1 0 KIAFRP C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253636169 562882319 /nfs/dbraw/zinc/88/23/19/562882319.db2.gz POEPECHZOIYDPM-RNLBEVMRSA-N 3 0 530.842 4.377 1 0 KIAFRP CNc1nc(-c2ccc(CC[NH+]3CCN(CCC[NH+]4CCN(c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299825227 562883503 /nfs/dbraw/zinc/88/35/03/562883503.db2.gz DQNCVOWTJHLZRI-UHFFFAOYSA-N 2 0 504.748 4.224 1 0 KIAFRP CC[NH+](CC)Cc1ccc(CN[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)o1 ZINC000299828878 562884614 /nfs/dbraw/zinc/88/46/14/562884614.db2.gz JIWVXAUUDIXSGP-ALMBTRMVSA-N 2 0 564.635 4.339 1 0 KIAFRP CNc1nc(-c2ccc(CC[NH+]3CCN(CCCC[NH+]4CCN(c5ccccn5)CC4)CC3)cc2)cs1 ZINC000299829008 562884642 /nfs/dbraw/zinc/88/46/42/562884642.db2.gz OZOZGNDRNXUHIC-UHFFFAOYSA-N 2 0 519.763 4.009 1 0 KIAFRP COc1cc2nc(N3CCCC3)nc(NCCCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC ZINC000299829273 562884777 /nfs/dbraw/zinc/88/47/77/562884777.db2.gz RHMKSQROWBMSQH-UHFFFAOYSA-N 2 0 528.698 4.382 1 0 KIAFRP CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000299829362 562884832 /nfs/dbraw/zinc/88/48/32/562884832.db2.gz MFOWLJWVPYWSIT-UHFFFAOYSA-N 2 0 562.542 4.015 1 0 KIAFRP CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)[NH+](C)C ZINC000299830322 562885231 /nfs/dbraw/zinc/88/52/31/562885231.db2.gz MMGUEXKWXRKQHV-ORYMTKCHSA-N 2 0 565.872 4.477 1 0 KIAFRP Nc1nc(-c2ccc(CC[NH+]3CCN(CCCC[NH+]4CCN(c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299834302 562886431 /nfs/dbraw/zinc/88/64/31/562886431.db2.gz SBHPBLBHLUMCJG-UHFFFAOYSA-N 2 0 504.748 4.155 1 0 KIAFRP CN1CCC=C(c2nsnc2OCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299838684 562887929 /nfs/dbraw/zinc/88/79/29/562887929.db2.gz QTQLWKLZSPZQTO-UHFFFAOYSA-N 2 0 509.720 4.498 1 0 KIAFRP CN1CC[NH+]([C@]23C[C@@H](c4ccccc4)[C@H]([C@@H](NC(=O)CC[NH+]4CCCC4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000299845229 562889424 /nfs/dbraw/zinc/88/94/24/562889424.db2.gz SXCZRGFUEGEMKT-PTPGRJQPSA-N 2 0 500.731 4.325 1 0 KIAFRP CN1CC[NH+]([C@]23C[C@@H](c4ccccc4)[C@H]([C@@H](NC(=O)C[NH+]4CCCCC4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000299845312 562889443 /nfs/dbraw/zinc/88/94/43/562889443.db2.gz ZKNKOWOWSYGTCT-PTPGRJQPSA-N 2 0 500.731 4.325 1 0 KIAFRP C[NH+]1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CC[N@@H+](C)[C@H](c5ccccc5)C4)cc3)cc2)C[C@H]1c1ccccc1 ZINC000299849056 562890425 /nfs/dbraw/zinc/89/04/25/562890425.db2.gz ZGQFBCCNVXJWLQ-BCRBLDSWSA-P 4 0 714.871 4.195 1 0 KIAFRP Nc1cc(=O)oc2cc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299864921 562894237 /nfs/dbraw/zinc/89/42/37/562894237.db2.gz SDXXOBJFUGAGFS-UHFFFAOYSA-N 2 0 527.669 4.301 1 0 KIAFRP Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc([C@@H]3CCC[NH2+]C3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299865105 562894327 /nfs/dbraw/zinc/89/43/27/562894327.db2.gz NELYGNRFZYNENG-IFMALSPDSA-N 2 0 577.673 4.064 1 0 KIAFRP Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc([C@H]3CCC[NH2+]C3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299865106 562894314 /nfs/dbraw/zinc/89/43/14/562894314.db2.gz NELYGNRFZYNENG-RBBKRZOGSA-N 2 0 577.673 4.064 1 0 KIAFRP O=C(CC[NH2+]CCc1ccc(Cl)c(Cl)c1)N(CC[NH2+]C[C@@H](O)c1cccc2c1OCC(=O)N2)C1CCCCC1 ZINC000473110539 562898539 /nfs/dbraw/zinc/89/85/39/562898539.db2.gz WVRBXBROEPXZHF-AREMUKBSSA-N 2 0 577.553 4.331 1 0 KIAFRP COc1cc2nc(N(C)CCCCC[NH+]3CCCC3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC ZINC000473114984 562899021 /nfs/dbraw/zinc/89/90/21/562899021.db2.gz QCTVAIAJUWXKPK-UHFFFAOYSA-N 2 0 512.743 4.449 1 0 KIAFRP C[NH+](C)C[C@@H](O)CCNC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1ccc(F)c(Cl)c1 ZINC000473214361 562903972 /nfs/dbraw/zinc/90/39/72/562903972.db2.gz CJYSCRMRQVIJQR-CWEXNXMASA-N 2 0 597.534 4.451 1 0 KIAFRP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)nc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000473245124 562904927 /nfs/dbraw/zinc/90/49/27/562904927.db2.gz VKWWPDDRNRHXJE-OGLKEZPNSA-N 2 0 530.717 4.472 1 0 KIAFRP NC(=[NH2+])c1cccc(N2C[C@H](CNC(=O)c3ccccc3)CN(CC3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000653746440 562910417 /nfs/dbraw/zinc/91/04/17/562910417.db2.gz UZPVFQUJTASIAP-AREMUKBSSA-N 2 0 538.696 4.171 1 0 KIAFRP NC(=[NH2+])c1cccc(N2C[C@@H](CNC(=O)c3ccccc3)CN(CC3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000653746441 562910421 /nfs/dbraw/zinc/91/04/21/562910421.db2.gz UZPVFQUJTASIAP-SANMLTNESA-N 2 0 538.696 4.171 1 0 KIAFRP CN1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[NH2+]CC[C@H]4CCC[N@@H+]4C)CC3)n2)CC1 ZINC000653751496 562910653 /nfs/dbraw/zinc/91/06/53/562910653.db2.gz AOUAPEKAUHZFGY-RUZDIDTESA-N 2 0 533.790 4.400 1 0 KIAFRP CN1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[NH2+]CC[C@@H]4CCC[N@@H+]4C)CC3)n2)CC1 ZINC000653751497 562910646 /nfs/dbraw/zinc/91/06/46/562910646.db2.gz AOUAPEKAUHZFGY-VWLOTQADSA-N 2 0 533.790 4.400 1 0 KIAFRP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4cc[nH+]cc4)cc32)c1C ZINC000653762278 562911405 /nfs/dbraw/zinc/91/14/05/562911405.db2.gz ZWIBUHCERCQXPG-MOHJPFBDSA-N 2 0 523.641 4.444 1 0 KIAFRP O=C1CC[C@@H]2CCC[C@H]3C[NH+]4CCC[C@H](C[C@H]5CCC[N@H+]6C[C@@H]7CCC[C@H]8CCC(=O)N([C@H]87)[C@H]56)[C@H]4N1[C@H]23 ZINC000653790113 562912525 /nfs/dbraw/zinc/91/25/25/562912525.db2.gz GVOGFWROUQGJCY-XFFDCCFASA-N 2 0 508.751 4.295 1 0 KIAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000653790980 562912648 /nfs/dbraw/zinc/91/26/48/562912648.db2.gz WOXQNFUVZBTZKE-WAKHXKBOSA-N 2 0 769.756 4.105 1 0 KIAFRP CC(C)(C)c1ccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3cc4sccc4s3)C(N)=O)cc2)cc1 ZINC000653794375 562912932 /nfs/dbraw/zinc/91/29/32/562912932.db2.gz BBZDFDHKAHJQFO-ALKXEMMNSA-N 2 0 763.003 4.158 1 0 KIAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc2sccc2s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000653794392 562912913 /nfs/dbraw/zinc/91/29/13/562912913.db2.gz FQQOCBQJYOVIRT-IALVYGIMSA-N 2 0 775.785 4.167 1 0 KIAFRP [NH3+][C@H](C(=O)Nc1cncc(F)c1CC[C@@H]1C[NH2+][C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000653833316 562914621 /nfs/dbraw/zinc/91/46/21/562914621.db2.gz AOQCYGJNZZJEEH-ZKBLBJRCSA-N 2 0 639.597 4.175 1 0 KIAFRP C[NH+](C)C1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCN(c2ncnc3[nH]c4c(c32)CCCC4)CC1 ZINC000653841674 562914908 /nfs/dbraw/zinc/91/49/08/562914908.db2.gz VUFXATHBRBCDNJ-UHFFFAOYSA-N 2 0 515.706 4.362 1 0 KIAFRP COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])nnc2[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000653848774 562915380 /nfs/dbraw/zinc/91/53/80/562915380.db2.gz PYJJUYCZUODGJC-XTEPFMGCSA-N 2 0 551.695 4.196 1 0 KIAFRP COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000653848916 562915349 /nfs/dbraw/zinc/91/53/49/562915349.db2.gz JPUXYRWHWDPZKP-JGEAEGMWSA-N 2 0 661.811 4.184 1 0 KIAFRP CCOC(=O)[C@@H](N)Cc1ccc(C(=O)NC(=[NH2+])NCc2c(Oc3ccccc3)cccc2N2CCCCC2)cc1 ZINC000653850172 562915467 /nfs/dbraw/zinc/91/54/67/562915467.db2.gz NUJRVQZNDKCTFM-SANMLTNESA-N 2 0 543.668 4.356 1 0 KIAFRP COc1ccc(Cn2c([C@H]([NH3+])Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000653856270 562915726 /nfs/dbraw/zinc/91/57/26/562915726.db2.gz PYJJUYCZUODGJC-IXCJQBJRSA-N 2 0 551.695 4.196 1 0 KIAFRP CCC1CCC(c2cc(C(=O)N3CCN(C(=O)c4cc(F)cc(N5CC[NH2+]CC5)c4)CC3)ccc2O[C@H]2CC[NH2+]C2)CC1 ZINC000653858601 562915843 /nfs/dbraw/zinc/91/58/43/562915843.db2.gz DOQSZLUWWDZMPE-KBSXYSMTSA-N 2 0 591.772 4.258 1 0 KIAFRP CC1(C)CCC(c2cc(C(=O)N3CCN(C(=O)c4cc(F)cc(N5CC[NH2+]CC5)c4)CC3)ccc2O[C@H]2CC[NH2+]C2)CC1 ZINC000653858639 562915845 /nfs/dbraw/zinc/91/58/45/562915845.db2.gz NHHZZMQXCFCORB-LJAQVGFWSA-N 2 0 591.772 4.258 1 0 KIAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)cc2)c1)N1CCN(C(=O)c2cc(F)cc(C3CC[NH2+]CC3)c2)CC1 ZINC000653882303 562916813 /nfs/dbraw/zinc/91/68/13/562916813.db2.gz JUVBELQQVBIENU-LJAQVGFWSA-N 2 0 574.672 4.438 1 0 KIAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(C2CCC(C(F)(F)F)CC2)c1)N1CCN(C(=O)c2cc(F)cc(N3CC[NH2+]CC3)c2)CC1 ZINC000653882878 562916861 /nfs/dbraw/zinc/91/68/61/562916861.db2.gz PUCMORRWCRZFPX-XUYPSIEWSA-N 2 0 631.715 4.410 1 0 KIAFRP COc1ccc2cc3[n+](cc2c1OCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CCc1cc2c(cc1-3)OCO2 ZINC000653886914 562917003 /nfs/dbraw/zinc/91/70/03/562917003.db2.gz IWMBIAFDQVLMJN-UHFFFAOYSA-N 3 0 525.629 4.074 1 0 KIAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(C2CCCCC2)c1)N1CCN(C(=O)c2cc(Cl)cc(N3CC[NH2+]CC3)c2)CC1 ZINC000653888097 562917107 /nfs/dbraw/zinc/91/71/07/562917107.db2.gz ZPACZYXCDMZCBL-NDEPHWFRSA-N 2 0 580.173 4.136 1 0 KIAFRP O=C(CC[NH2+]CCc1ccc(Cl)c(Cl)c1)N(CC[NH2+]C[C@H](O)c1ccc(O)c2c1OCC(=O)N2)C1CCCCC1 ZINC000653895019 562917353 /nfs/dbraw/zinc/91/73/53/562917353.db2.gz LUKIJOMOVGMWEG-VWLOTQADSA-N 2 0 593.552 4.037 1 0 KIAFRP CCOC(=O)C1CC[NH+](CCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)CC1 ZINC000653895478 562917367 /nfs/dbraw/zinc/91/73/67/562917367.db2.gz ZITNJIXHEUVQPB-UHFFFAOYSA-N 2 0 519.618 4.132 1 0 KIAFRP CCCCN1C(=[NH2+])N([C@@H](C)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000095570657 562768367 /nfs/dbraw/zinc/76/83/67/562768367.db2.gz XKQLIKPNNJOPIW-UGIQSDBZSA-N 3 0 529.777 4.045 3 0 KIAFRP