smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000003964107 561691250 /nfs/dbraw/zinc/69/12/50/561691250.db2.gz HLMWNBIZKQIDFC-BDYUSTAISA-N 2 1 550.769 4.767 1 0 in-vivo KJAFMP CC[NH+](CC)[C@@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1 ZINC000003980204 561692381 /nfs/dbraw/zinc/69/23/81/561692381.db2.gz WIKHCYUMNOKBJZ-SNTUXTEOSA-N 2 1 628.261 4.630 1 0 KJAFMP CC[NH+](CC)CCn1c2cc(OC)ccc2c2c1[C@@H]1C[C@H]3[C@@H](C(=O)OC)[C@H](OC)[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)C[C@@H]3C[N@H+]1CC2 ZINC000004212148 561694148 /nfs/dbraw/zinc/69/41/48/561694148.db2.gz WFTSRDISOMSAQC-SOAOGOJHSA-N 2 1 707.865 4.986 1 0 in-man KJAFMP CC[NH+](CC)CCn1c2cc(OC)ccc2c2c1[C@@H]1C[C@H]3[C@@H](C(=O)OC)[C@H](OC)[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)C[C@@H]3C[N@@H+]1CC2 ZINC000004212148 561694147 /nfs/dbraw/zinc/69/41/47/561694147.db2.gz WFTSRDISOMSAQC-SOAOGOJHSA-N 2 1 707.865 4.986 1 0 in-man KJAFMP O=C(NCCC[NH+](CCCC[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000005834397 561698932 /nfs/dbraw/zinc/69/89/32/561698932.db2.gz UKFOLUNVLQWPHJ-UHFFFAOYSA-N 2 1 574.610 4.908 1 0 KJAFMP Clc1ccc(N2CC[NH+](Cc3cnn4c3cccc4N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000013438668 561712235 /nfs/dbraw/zinc/71/22/35/561712235.db2.gz GYWHDZIJHYATFG-UHFFFAOYSA-N 2 1 501.078 4.632 1 0 KJAFMP Cc1nn2c(cccc2N2CC[NH+](Cc3ccccc3)CC2)c1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000013438671 561712244 /nfs/dbraw/zinc/71/22/44/561712244.db2.gz OHHKPQVUUXXVGV-UHFFFAOYSA-N 2 1 515.105 4.941 1 0 KJAFMP CCc1[nH+]c2c(ccc(OC3CCN(C(C)=[NH2+])CC3)c2N(C)C)n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000013441134 561712722 /nfs/dbraw/zinc/71/27/22/561712722.db2.gz YKLCRAZHXKMIBV-UHFFFAOYSA-N 3 1 511.674 4.991 1 0 KJAFMP O=C(NCc1ccccc1)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccc4)C3)cc2)C1 ZINC000013726220 561725044 /nfs/dbraw/zinc/72/50/44/561725044.db2.gz ZDPYMPPMCCZBQQ-ROJLCIKYSA-N 2 1 538.736 4.743 1 0 KJAFMP O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)NCc4ccccc4)C3)cc2)C1 ZINC000013726224 561725029 /nfs/dbraw/zinc/72/50/29/561725029.db2.gz ZDPYMPPMCCZBQQ-MEKGRNQZSA-N 2 1 538.736 4.743 1 0 KJAFMP O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)NCc4ccccc4)C3)cc2)C1 ZINC000013726224 561725027 /nfs/dbraw/zinc/72/50/27/561725027.db2.gz ZDPYMPPMCCZBQQ-MEKGRNQZSA-N 2 1 538.736 4.743 1 0 KJAFMP O=C(NCc1ccccc1)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)cc2)C1 ZINC000013726224 561725025 /nfs/dbraw/zinc/72/50/25/561725025.db2.gz ZDPYMPPMCCZBQQ-MEKGRNQZSA-N 2 1 538.736 4.743 1 0 KJAFMP CC(C)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O ZINC000014191826 561737532 /nfs/dbraw/zinc/73/75/32/561737532.db2.gz VJHTXZAEBALHDW-GKRYNVPLSA-N 2 1 596.829 4.542 1 0 KJAFMP CC(C)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O ZINC000014191826 561737531 /nfs/dbraw/zinc/73/75/31/561737531.db2.gz VJHTXZAEBALHDW-GKRYNVPLSA-N 2 1 596.829 4.542 1 0 KJAFMP O=C1NCN(c2ccccc2)C12CC[NH+](CCCN1CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)CC2 ZINC000022860063 561759596 /nfs/dbraw/zinc/75/95/96/561759596.db2.gz QZZMTYFFXGERDK-UHFFFAOYSA-N 2 1 603.758 4.507 1 0 KJAFMP C[C@@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927993 561760109 /nfs/dbraw/zinc/76/01/09/561760109.db2.gz OVTUWSVWDTXFTD-SUYBVONHSA-N 2 1 520.737 4.954 1 0 KJAFMP C[C@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927998 561760122 /nfs/dbraw/zinc/76/01/22/561760122.db2.gz OVTUWSVWDTXFTD-MXBOTTGLSA-N 2 1 520.737 4.954 1 0 KJAFMP C[C@@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)CC1)C(=O)c1ccccc1 ZINC000022928002 561760084 /nfs/dbraw/zinc/76/00/84/561760084.db2.gz OVTUWSVWDTXFTD-HVNZXBJASA-N 2 1 520.737 4.954 1 0 KJAFMP C[C@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)CC1)C(=O)c1ccccc1 ZINC000022928006 561760045 /nfs/dbraw/zinc/76/00/45/561760045.db2.gz OVTUWSVWDTXFTD-NEEKEDPPSA-N 2 1 520.737 4.954 1 0 KJAFMP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc2ccccc2c1 ZINC000026576038 561799855 /nfs/dbraw/zinc/79/98/55/561799855.db2.gz WLWJPYVMOSSIHL-UHFFFAOYSA-N 2 1 552.144 4.830 1 0 KJAFMP CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000026576800 561800741 /nfs/dbraw/zinc/80/07/41/561800741.db2.gz LFFAEWTVDMNHRK-UHFFFAOYSA-N 2 1 558.192 4.974 1 0 KJAFMP Cc1cc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c(C)cc1Cl ZINC000026577649 561802198 /nfs/dbraw/zinc/80/21/98/561802198.db2.gz KLZPXBQKPFYPQA-UHFFFAOYSA-N 2 1 564.583 4.947 1 0 KJAFMP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000026578086 561802759 /nfs/dbraw/zinc/80/27/59/561802759.db2.gz WENMUHCQGMDBRN-UHFFFAOYSA-N 2 1 586.080 4.575 1 0 KJAFMP Cc1c(Cl)cccc1S(=O)(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000026578391 561803230 /nfs/dbraw/zinc/80/32/30/561803230.db2.gz XNKPGMFQBZTOIF-UHFFFAOYSA-N 2 1 550.556 4.638 1 0 KJAFMP CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000026578461 561803400 /nfs/dbraw/zinc/80/34/00/561803400.db2.gz YMJDHHMLWDCLGU-UHFFFAOYSA-N 2 1 595.213 4.896 1 0 KJAFMP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(Cl)cc(Cl)c1 ZINC000026578468 561803393 /nfs/dbraw/zinc/80/33/93/561803393.db2.gz RGIBTLUMURENJT-UHFFFAOYSA-N 2 1 570.974 4.983 1 0 KJAFMP CCCCC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026850917 561827322 /nfs/dbraw/zinc/82/73/22/561827322.db2.gz UAIUAJRUOCAUGH-RVLOQZQWSA-N 2 1 540.708 4.872 1 0 KJAFMP CC(C)CC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026954090 561829025 /nfs/dbraw/zinc/82/90/25/561829025.db2.gz LXBNXXBURIRXNG-RVLOQZQWSA-N 2 1 540.708 4.728 1 0 KJAFMP C[C@@H]1C[C@H](C)C[NH+](CC(=O)Nc2nc3cc4nc(NC(=O)C[N@@H+]5C[C@H](C)C[C@H](C)C5)sc4cc3s2)C1 ZINC000027184053 561842171 /nfs/dbraw/zinc/84/21/71/561842171.db2.gz IITMPFUJXRCRPM-USTZCAOPSA-N 2 1 528.748 4.739 1 0 KJAFMP C[C@@H]1C[C@H](C)C[NH+](CC(=O)Nc2nc3cc4nc(NC(=O)C[N@H+]5C[C@H](C)C[C@H](C)C5)sc4cc3s2)C1 ZINC000027184053 561842170 /nfs/dbraw/zinc/84/21/70/561842170.db2.gz IITMPFUJXRCRPM-USTZCAOPSA-N 2 1 528.748 4.739 1 0 KJAFMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C(=[NH2+])NN3CCOCC3)c2)C1=O ZINC000027331133 561855031 /nfs/dbraw/zinc/85/50/31/561855031.db2.gz BUTHBIKCCABUOZ-UAABGXCFSA-N 2 1 533.717 4.749 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411554 561856446 /nfs/dbraw/zinc/85/64/46/561856446.db2.gz HLZFFRNOPQUTAL-FULRKLNBSA-N 2 1 621.798 4.763 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411560 561856405 /nfs/dbraw/zinc/85/64/05/561856405.db2.gz HLZFFRNOPQUTAL-XOSPKBLGSA-N 2 1 621.798 4.763 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411566 561856416 /nfs/dbraw/zinc/85/64/16/561856416.db2.gz HLZFFRNOPQUTAL-APVDNHQMSA-N 2 1 621.798 4.763 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411572 561856396 /nfs/dbraw/zinc/85/63/96/561856396.db2.gz HLZFFRNOPQUTAL-LLXHICIGSA-N 2 1 621.798 4.763 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413112 561856741 /nfs/dbraw/zinc/85/67/41/561856741.db2.gz OHEUJYJUVYPNKL-ZUVFJQHLSA-N 2 1 639.788 4.902 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413117 561856674 /nfs/dbraw/zinc/85/66/74/561856674.db2.gz OHEUJYJUVYPNKL-QZIZTPMKSA-N 2 1 639.788 4.902 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413122 561856660 /nfs/dbraw/zinc/85/66/60/561856660.db2.gz OHEUJYJUVYPNKL-GNNCHPBJSA-N 2 1 639.788 4.902 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027413127 561856749 /nfs/dbraw/zinc/85/67/49/561856749.db2.gz OHEUJYJUVYPNKL-DICNJETBSA-N 2 1 639.788 4.902 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415277 561857062 /nfs/dbraw/zinc/85/70/62/561857062.db2.gz KJDPZFINBIEQAX-SPFRTMBUSA-N 2 1 603.808 4.624 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415282 561857054 /nfs/dbraw/zinc/85/70/54/561857054.db2.gz KJDPZFINBIEQAX-OTEJJTPWSA-N 2 1 603.808 4.624 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415286 561857051 /nfs/dbraw/zinc/85/70/51/561857051.db2.gz KJDPZFINBIEQAX-ALMDLERYSA-N 2 1 603.808 4.624 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415292 561857073 /nfs/dbraw/zinc/85/70/73/561857073.db2.gz KJDPZFINBIEQAX-APPQYHDTSA-N 2 1 603.808 4.624 1 0 KJAFMP COc1cccc(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 ZINC000027420743 561857695 /nfs/dbraw/zinc/85/76/95/561857695.db2.gz MDGYMVFSBKXGQB-MWKYWARRSA-N 2 1 633.834 4.633 1 0 KJAFMP COc1cccc(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 ZINC000027420745 561857643 /nfs/dbraw/zinc/85/76/43/561857643.db2.gz MDGYMVFSBKXGQB-GYOFENNSSA-N 2 1 633.834 4.633 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421621 561857826 /nfs/dbraw/zinc/85/78/26/561857826.db2.gz ZDNLRYDGPXLQJI-BRBTZGCTSA-N 2 1 639.788 4.902 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421626 561857851 /nfs/dbraw/zinc/85/78/51/561857851.db2.gz ZDNLRYDGPXLQJI-CARQOULDSA-N 2 1 639.788 4.902 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421632 561857823 /nfs/dbraw/zinc/85/78/23/561857823.db2.gz ZDNLRYDGPXLQJI-LFTSXLRWSA-N 2 1 639.788 4.902 1 0 KJAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421637 561857854 /nfs/dbraw/zinc/85/78/54/561857854.db2.gz ZDNLRYDGPXLQJI-WMMPDGNWSA-N 2 1 639.788 4.902 1 0 KJAFMP COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)c3ccccc3C[NH2+]CCCCCC[NH3+])nc(N)c2cc1OC ZINC000027550475 561867727 /nfs/dbraw/zinc/86/77/27/561867727.db2.gz MGVLNZLBZKMKDD-UHFFFAOYSA-N 3 1 579.790 4.607 1 0 KJAFMP CCC[NH+](CCCCCC[N@@H+](CCC)[C@@H]1CCc2[nH]c(=O)ccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027649104 561876244 /nfs/dbraw/zinc/87/62/44/561876244.db2.gz XBMBHXSIWSUYDK-HHHXNRCGSA-N 2 1 529.791 4.863 1 0 KJAFMP CCC[NH+](CCCCCC[N@H+](CCC)[C@@H]1CCc2[nH]c(=O)ccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027649104 561876242 /nfs/dbraw/zinc/87/62/42/561876242.db2.gz XBMBHXSIWSUYDK-HHHXNRCGSA-N 2 1 529.791 4.863 1 0 KJAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC000027649104 561876240 /nfs/dbraw/zinc/87/62/40/561876240.db2.gz XBMBHXSIWSUYDK-HHHXNRCGSA-N 2 1 529.791 4.863 1 0 KJAFMP COc1ccc(-c2c(C)c(C(=O)NCC[N@H+]3CCC[C@@H]3CC[NH3+])nn2-c2ccc(Cl)cc2Cl)cc1 ZINC000027711054 561879653 /nfs/dbraw/zinc/87/96/53/561879653.db2.gz ZBKKACISZLMNHQ-HXUWFJFHSA-N 2 1 516.473 4.706 1 0 KJAFMP COc1ccc(-c2c(C)c(C(=O)NCC[N@@H+]3CCC[C@@H]3CC[NH3+])nn2-c2ccc(Cl)cc2Cl)cc1 ZINC000027711054 561879651 /nfs/dbraw/zinc/87/96/51/561879651.db2.gz ZBKKACISZLMNHQ-HXUWFJFHSA-N 2 1 516.473 4.706 1 0 KJAFMP COc1ccc(-c2c(C)c(C(=O)NCC[N@H+]3CCC[C@H]3CC[NH3+])nn2-c2ccc(Cl)cc2Cl)cc1 ZINC000027711059 561879659 /nfs/dbraw/zinc/87/96/59/561879659.db2.gz ZBKKACISZLMNHQ-FQEVSTJZSA-N 2 1 516.473 4.706 1 0 KJAFMP COc1ccc(-c2c(C)c(C(=O)NCC[N@@H+]3CCC[C@H]3CC[NH3+])nn2-c2ccc(Cl)cc2Cl)cc1 ZINC000027711059 561879657 /nfs/dbraw/zinc/87/96/57/561879657.db2.gz ZBKKACISZLMNHQ-FQEVSTJZSA-N 2 1 516.473 4.706 1 0 KJAFMP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@H]4[C@@H](C2)[NH+](C)CC[C@]314)C[C@H]1[C@H]2Cc3ccc(OC)c4c3[C@@]1(CC[N@H+]2C)[C@H]5O4 ZINC000027979029 561891388 /nfs/dbraw/zinc/89/13/88/561891388.db2.gz BOZJVDGQCWRTFI-NSHPJJRGSA-N 2 1 577.725 4.640 1 0 KJAFMP COC(=O)[C@@H](C)CN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028018628 561898022 /nfs/dbraw/zinc/89/80/22/561898022.db2.gz WHWVUIVBICTFFL-FQEVSTJZSA-N 2 1 553.711 4.907 1 0 KJAFMP COC(=O)[C@@H](C)CN(c1ccc2[nH+]c(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028022557 561898861 /nfs/dbraw/zinc/89/88/61/561898861.db2.gz NKIYBUFLKCGVNM-FQEVSTJZSA-N 3 1 553.711 4.907 1 0 KJAFMP CC(=[NH2+])N1CCC(N(CCCC(=O)[O-])c2ccc3[nH+]c(C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028022562 561898854 /nfs/dbraw/zinc/89/88/54/561898854.db2.gz DDMAASAAMQWCEV-UHFFFAOYSA-N 2 1 539.684 4.963 1 0 KJAFMP CC(=[NH2+])N1CCC(N(C[C@H](C)C(=O)[O-])c2ccc3[nH+]c(C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028086032 561898975 /nfs/dbraw/zinc/89/89/75/561898975.db2.gz ZVZMASPVTUJLPJ-IBGZPJMESA-N 2 1 539.684 4.819 1 0 KJAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028340045 561913883 /nfs/dbraw/zinc/91/38/83/561913883.db2.gz JSSBJZNAQLSMID-CZNDPXEESA-N 2 1 642.269 4.824 1 0 KJAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN1CCCN(CC[N@@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028342561 561914366 /nfs/dbraw/zinc/91/43/66/561914366.db2.gz HJNXIXULSCHZBG-YEUCHJDASA-N 2 1 664.939 4.630 1 0 KJAFMP C[NH+](C)CCN(Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028356209 561916201 /nfs/dbraw/zinc/91/62/01/561916201.db2.gz IUEONYOZUXHYSV-XPSQVAKYSA-N 2 1 693.336 4.994 1 0 KJAFMP C[N@@H+](CCc1ccccn1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028373416 561918746 /nfs/dbraw/zinc/91/87/46/561918746.db2.gz FJWOXGHISFSVOD-VSJLXWSYSA-N 2 1 651.255 4.500 1 0 KJAFMP C[N@H+](CCc1ccccn1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028373416 561918744 /nfs/dbraw/zinc/91/87/44/561918744.db2.gz FJWOXGHISFSVOD-VSJLXWSYSA-N 2 1 651.255 4.500 1 0 KJAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2ccccc2F)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028381709 561920240 /nfs/dbraw/zinc/92/02/40/561920240.db2.gz TXSUTEHZKIBGJG-VSJLXWSYSA-N 2 1 654.230 4.902 1 0 KJAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccc(F)c2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028381718 561920291 /nfs/dbraw/zinc/92/02/91/561920291.db2.gz CZFWSGDEYZMQOV-VSJLXWSYSA-N 2 1 654.230 4.902 1 0 KJAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2ccc(F)cc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028381724 561920202 /nfs/dbraw/zinc/92/02/02/561920202.db2.gz PSXOZKLCEKKWIU-VSJLXWSYSA-N 2 1 654.230 4.902 1 0 KJAFMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC[C@@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028387475 561921357 /nfs/dbraw/zinc/92/13/57/561921357.db2.gz SOEPONMIESQTFA-OAQYLSRUSA-N 2 1 613.146 4.985 1 0 KJAFMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC[C@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028387480 561921402 /nfs/dbraw/zinc/92/14/02/561921402.db2.gz SOEPONMIESQTFA-NRFANRHFSA-N 2 1 613.146 4.985 1 0 KJAFMP C[NH+](C)CCC[N@@H+](C)C[C@@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028389424 561921952 /nfs/dbraw/zinc/92/19/52/561921952.db2.gz XWCZGIMYIJNHEV-QGZVFWFLSA-N 2 1 544.039 4.909 1 0 KJAFMP C[NH+](C)CCC[N@H+](C)C[C@@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028389424 561921950 /nfs/dbraw/zinc/92/19/50/561921950.db2.gz XWCZGIMYIJNHEV-QGZVFWFLSA-N 2 1 544.039 4.909 1 0 KJAFMP C[NH+](C)CCC[N@@H+](C)C[C@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028389430 561921888 /nfs/dbraw/zinc/92/18/88/561921888.db2.gz XWCZGIMYIJNHEV-KRWDZBQOSA-N 2 1 544.039 4.909 1 0 KJAFMP C[NH+](C)CCC[N@H+](C)C[C@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028389430 561921887 /nfs/dbraw/zinc/92/18/87/561921887.db2.gz XWCZGIMYIJNHEV-KRWDZBQOSA-N 2 1 544.039 4.909 1 0 KJAFMP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)c3ccc(OC(F)(F)F)cc3)CCCCC2)CC1 ZINC000028397204 561923314 /nfs/dbraw/zinc/92/33/14/561923314.db2.gz PHDZAKCPWCXBFC-AREMUKBSSA-N 2 1 672.576 4.545 1 0 KJAFMP C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028458757 561924684 /nfs/dbraw/zinc/92/46/84/561924684.db2.gz CDBOWLBYGATSGT-CKONCYBQSA-N 2 1 631.906 4.857 1 0 KJAFMP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)Nc3ccc(Cl)cc3)CCCCC2)CC1 ZINC000028462093 561925330 /nfs/dbraw/zinc/92/53/30/561925330.db2.gz RXWALAREMASYGA-AREMUKBSSA-N 2 1 638.040 4.692 1 0 KJAFMP CC(C)(C)c1ccc(C(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000028463971 561925928 /nfs/dbraw/zinc/92/59/28/561925928.db2.gz FZZSUZOMDHLDFS-GDLZYMKVSA-N 2 1 644.688 4.944 1 0 KJAFMP CC(C)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 ZINC000028477248 561928497 /nfs/dbraw/zinc/92/84/97/561928497.db2.gz VVUROZYJZFCFFO-HOFKKMOUSA-N 2 1 563.570 4.859 1 0 KJAFMP CC[NH+](CC)[C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1 ZINC000028528234 561932928 /nfs/dbraw/zinc/93/29/28/561932928.db2.gz WIKHCYUMNOKBJZ-HEAIWMBWSA-N 2 1 628.261 4.630 1 0 KJAFMP [NH3+][C@@H](CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1)c1ccccc1 ZINC000028529260 561933850 /nfs/dbraw/zinc/93/38/50/561933850.db2.gz BQQDZPHKRDTWLB-JHOUSYSJSA-N 2 1 644.260 4.663 1 0 KJAFMP [NH3+][C@H](CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1)c1ccccc1 ZINC000028529262 561933922 /nfs/dbraw/zinc/93/39/22/561933922.db2.gz BQQDZPHKRDTWLB-CZNDPXEESA-N 2 1 644.260 4.663 1 0 KJAFMP O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)CCCCC1 ZINC000028529373 561933977 /nfs/dbraw/zinc/93/39/77/561933977.db2.gz XSIHRKSWHLAHSS-OIDHKYIRSA-N 2 1 670.298 4.678 1 0 KJAFMP O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3Cc4ccccc4C[NH2+]3)CC2)CCCCC1 ZINC000028529376 561934061 /nfs/dbraw/zinc/93/40/61/561934061.db2.gz XSIHRKSWHLAHSS-VSJLXWSYSA-N 2 1 670.298 4.678 1 0 KJAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN(C)CCCN(C)CC[N@H+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714074 561954702 /nfs/dbraw/zinc/95/47/02/561954702.db2.gz XEPMXKVQYFUXLU-YEUCHJDASA-N 2 1 666.955 4.876 1 0 KJAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH2+]Cc4ccc(C[NH+]5CCCC5)cc4)CC3)cc[nH+]c2c1 ZINC000028822350 561966907 /nfs/dbraw/zinc/96/69/07/561966907.db2.gz HEORJBIZGYPLLY-UHFFFAOYSA-N 4 1 535.180 4.505 1 0 KJAFMP Cc1c(C[N@@H+](C)C[C@H](O)c2ccc(C[NH+](C)C)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822557 561967339 /nfs/dbraw/zinc/96/73/39/561967339.db2.gz WMOFUUNABPTEKS-VWLOTQADSA-N 2 1 567.155 4.719 1 0 KJAFMP Cc1c(C[N@@H+](C)C[C@@H](O)c2ccc(C[NH+](C)C)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822558 561967316 /nfs/dbraw/zinc/96/73/16/561967316.db2.gz WMOFUUNABPTEKS-RUZDIDTESA-N 2 1 567.155 4.719 1 0 KJAFMP COC[C@@H](C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824111 561968993 /nfs/dbraw/zinc/96/89/93/561968993.db2.gz YAELXWATNYAJNR-YXPSQANSSA-N 2 1 527.153 4.703 1 0 KJAFMP COC[C@H](C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824112 561968998 /nfs/dbraw/zinc/96/89/98/561968998.db2.gz YAELXWATNYAJNR-NNNZQYNTSA-N 2 1 527.153 4.703 1 0 KJAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824117 561969097 /nfs/dbraw/zinc/96/90/97/561969097.db2.gz KHUSEOUYELGLMC-QVKOCQLISA-N 2 1 539.164 4.847 1 0 KJAFMP Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+](C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824118 561969026 /nfs/dbraw/zinc/96/90/26/561969026.db2.gz KHUSEOUYELGLMC-UNRZKBSHSA-N 2 1 539.164 4.847 1 0 KJAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824134 561969090 /nfs/dbraw/zinc/96/90/90/561969090.db2.gz KHUSEOUYELGLMC-LXQNXJGFSA-N 2 1 539.164 4.847 1 0 KJAFMP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824144 561969113 /nfs/dbraw/zinc/96/91/13/561969113.db2.gz KBCSJIBLEYAWLZ-GSLIJJQTSA-N 2 1 501.090 4.908 1 0 KJAFMP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC000028864114 561972457 /nfs/dbraw/zinc/97/24/57/561972457.db2.gz IEKFIZICLFDORP-UHFFFAOYSA-N 2 1 601.742 4.762 1 0 KJAFMP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC000028864114 561972456 /nfs/dbraw/zinc/97/24/56/561972456.db2.gz IEKFIZICLFDORP-UHFFFAOYSA-N 2 1 601.742 4.762 1 0 KJAFMP C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC000028864114 561972455 /nfs/dbraw/zinc/97/24/55/561972455.db2.gz IEKFIZICLFDORP-UHFFFAOYSA-N 2 1 601.742 4.762 1 0 KJAFMP CCSc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864130 561972615 /nfs/dbraw/zinc/97/26/15/561972615.db2.gz RJBKPNBOIDAQBD-UHFFFAOYSA-N 2 1 605.755 4.576 1 0 KJAFMP CCSc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864130 561972614 /nfs/dbraw/zinc/97/26/14/561972614.db2.gz RJBKPNBOIDAQBD-UHFFFAOYSA-N 2 1 605.755 4.576 1 0 KJAFMP CCSc1ccc(C[N@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864130 561972612 /nfs/dbraw/zinc/97/26/12/561972612.db2.gz RJBKPNBOIDAQBD-UHFFFAOYSA-N 2 1 605.755 4.576 1 0 KJAFMP Cc1c2ccccc2sc1C[N@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864146 561972446 /nfs/dbraw/zinc/97/24/46/561972446.db2.gz GBQXEIGMFIPHBT-UHFFFAOYSA-N 2 1 615.750 4.987 1 0 KJAFMP Cc1c2ccccc2sc1C[N@@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864146 561972445 /nfs/dbraw/zinc/97/24/45/561972445.db2.gz GBQXEIGMFIPHBT-UHFFFAOYSA-N 2 1 615.750 4.987 1 0 KJAFMP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864146 561972444 /nfs/dbraw/zinc/97/24/44/561972444.db2.gz GBQXEIGMFIPHBT-UHFFFAOYSA-N 2 1 615.750 4.987 1 0 KJAFMP Cc1c2ccccc2sc1C[N@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2ccccc2)C1 ZINC000028864160 561972906 /nfs/dbraw/zinc/97/29/06/561972906.db2.gz CKXBNWWRXBYJLE-UHFFFAOYSA-N 2 1 579.770 4.709 1 0 KJAFMP Cc1c2ccccc2sc1C[N@@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2ccccc2)C1 ZINC000028864160 561972904 /nfs/dbraw/zinc/97/29/04/561972904.db2.gz CKXBNWWRXBYJLE-UHFFFAOYSA-N 2 1 579.770 4.709 1 0 KJAFMP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2Cc2ccccc2)C1 ZINC000028864160 561972903 /nfs/dbraw/zinc/97/29/03/561972903.db2.gz CKXBNWWRXBYJLE-UHFFFAOYSA-N 2 1 579.770 4.709 1 0 KJAFMP Cc1c2ccccc2sc1C[N@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2ccccc2F)C1 ZINC000028864161 561972782 /nfs/dbraw/zinc/97/27/82/561972782.db2.gz XPLFJWZQERBCOJ-UHFFFAOYSA-N 2 1 597.760 4.848 1 0 KJAFMP Cc1c2ccccc2sc1C[N@@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2ccccc2F)C1 ZINC000028864161 561972781 /nfs/dbraw/zinc/97/27/81/561972781.db2.gz XPLFJWZQERBCOJ-UHFFFAOYSA-N 2 1 597.760 4.848 1 0 KJAFMP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2Cc2ccccc2F)C1 ZINC000028864161 561972780 /nfs/dbraw/zinc/97/27/80/561972780.db2.gz XPLFJWZQERBCOJ-UHFFFAOYSA-N 2 1 597.760 4.848 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@H+]4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864200 561972760 /nfs/dbraw/zinc/97/27/60/561972760.db2.gz NFSVFVSAVLFOGI-NDEPHWFRSA-N 2 1 599.726 4.961 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@@H+]4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864200 561972759 /nfs/dbraw/zinc/97/27/59/561972759.db2.gz NFSVFVSAVLFOGI-NDEPHWFRSA-N 2 1 599.726 4.961 1 0 KJAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864200 561972758 /nfs/dbraw/zinc/97/27/58/561972758.db2.gz NFSVFVSAVLFOGI-NDEPHWFRSA-N 2 1 599.726 4.961 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@H+]4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864202 561972844 /nfs/dbraw/zinc/97/28/44/561972844.db2.gz NFSVFVSAVLFOGI-MUUNZHRXSA-N 2 1 599.726 4.961 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@@H+]4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864202 561972842 /nfs/dbraw/zinc/97/28/42/561972842.db2.gz NFSVFVSAVLFOGI-MUUNZHRXSA-N 2 1 599.726 4.961 1 0 KJAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864202 561972841 /nfs/dbraw/zinc/97/28/41/561972841.db2.gz NFSVFVSAVLFOGI-MUUNZHRXSA-N 2 1 599.726 4.961 1 0 KJAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](CC(C)C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864221 561972721 /nfs/dbraw/zinc/97/27/21/561972721.db2.gz RGEVUXIWFRBFJB-RUZDIDTESA-N 2 1 564.721 4.880 1 0 KJAFMP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](CC(C)C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864221 561972719 /nfs/dbraw/zinc/97/27/19/561972719.db2.gz RGEVUXIWFRBFJB-RUZDIDTESA-N 2 1 564.721 4.880 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@H+](CC(C)C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864221 561972717 /nfs/dbraw/zinc/97/27/17/561972717.db2.gz RGEVUXIWFRBFJB-RUZDIDTESA-N 2 1 564.721 4.880 1 0 KJAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](CC(C)C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864224 561972874 /nfs/dbraw/zinc/97/28/74/561972874.db2.gz RGEVUXIWFRBFJB-VWLOTQADSA-N 2 1 564.721 4.880 1 0 KJAFMP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](CC(C)C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864224 561972872 /nfs/dbraw/zinc/97/28/72/561972872.db2.gz RGEVUXIWFRBFJB-VWLOTQADSA-N 2 1 564.721 4.880 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@H+](CC(C)C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864224 561972871 /nfs/dbraw/zinc/97/28/71/561972871.db2.gz RGEVUXIWFRBFJB-VWLOTQADSA-N 2 1 564.721 4.880 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@@H+](Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864238 561973068 /nfs/dbraw/zinc/97/30/68/561973068.db2.gz RTDFPRBOVNIPCI-AREMUKBSSA-N 2 1 599.726 4.819 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@H+](Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864238 561973066 /nfs/dbraw/zinc/97/30/66/561973066.db2.gz RTDFPRBOVNIPCI-AREMUKBSSA-N 2 1 599.726 4.819 1 0 KJAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864238 561973064 /nfs/dbraw/zinc/97/30/64/561973064.db2.gz RTDFPRBOVNIPCI-AREMUKBSSA-N 2 1 599.726 4.819 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@@H+](Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864240 561973146 /nfs/dbraw/zinc/97/31/46/561973146.db2.gz RTDFPRBOVNIPCI-SANMLTNESA-N 2 1 599.726 4.819 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@H+](Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864240 561973145 /nfs/dbraw/zinc/97/31/45/561973145.db2.gz RTDFPRBOVNIPCI-SANMLTNESA-N 2 1 599.726 4.819 1 0 KJAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](Cc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864240 561973144 /nfs/dbraw/zinc/97/31/44/561973144.db2.gz RTDFPRBOVNIPCI-SANMLTNESA-N 2 1 599.726 4.819 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@@H+](CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864245 561973042 /nfs/dbraw/zinc/97/30/42/561973042.db2.gz ZJUVUSLUDJXXPT-HHHXNRCGSA-N 2 1 613.753 4.861 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@H+](CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864245 561973040 /nfs/dbraw/zinc/97/30/40/561973040.db2.gz ZJUVUSLUDJXXPT-HHHXNRCGSA-N 2 1 613.753 4.861 1 0 KJAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864245 561973038 /nfs/dbraw/zinc/97/30/38/561973038.db2.gz ZJUVUSLUDJXXPT-HHHXNRCGSA-N 2 1 613.753 4.861 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@@H+](CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864247 561973020 /nfs/dbraw/zinc/97/30/20/561973020.db2.gz ZJUVUSLUDJXXPT-MHZLTWQESA-N 2 1 613.753 4.861 1 0 KJAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@H+](CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864247 561973019 /nfs/dbraw/zinc/97/30/19/561973019.db2.gz ZJUVUSLUDJXXPT-MHZLTWQESA-N 2 1 613.753 4.861 1 0 KJAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](CCc5ccccn5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864247 561973017 /nfs/dbraw/zinc/97/30/17/561973017.db2.gz ZJUVUSLUDJXXPT-MHZLTWQESA-N 2 1 613.753 4.861 1 0 KJAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[NH+]1C1CCCC1)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864259 561973115 /nfs/dbraw/zinc/97/31/15/561973115.db2.gz AUTSCZOWVXPUGG-XMMPIXPASA-N 2 1 569.096 4.955 1 0 KJAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[NH+]1C1CCCC1)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864259 561973113 /nfs/dbraw/zinc/97/31/13/561973113.db2.gz AUTSCZOWVXPUGG-XMMPIXPASA-N 2 1 569.096 4.955 1 0 KJAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@H+]1C1CCCC1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864259 561973111 /nfs/dbraw/zinc/97/31/11/561973111.db2.gz AUTSCZOWVXPUGG-XMMPIXPASA-N 2 1 569.096 4.955 1 0 KJAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@@H+]1C1CCCC1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864259 561973109 /nfs/dbraw/zinc/97/31/09/561973109.db2.gz AUTSCZOWVXPUGG-XMMPIXPASA-N 2 1 569.096 4.955 1 0 KJAFMP C[NH2+][C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(Cl)cc1)C2)c1ccccc1 ZINC000028864261 561973008 /nfs/dbraw/zinc/97/30/08/561973008.db2.gz JLFBHKWEJXWJSJ-MHZLTWQESA-N 2 1 551.037 4.509 1 0 KJAFMP C[NH2+][C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(Cl)cc1)C2)c1ccccc1 ZINC000028864261 561973006 /nfs/dbraw/zinc/97/30/06/561973006.db2.gz JLFBHKWEJXWJSJ-MHZLTWQESA-N 2 1 551.037 4.509 1 0 KJAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[NH+]1CCc1ccccn1)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864269 561973057 /nfs/dbraw/zinc/97/30/57/561973057.db2.gz RJMQDUQSQDWCOB-AREMUKBSSA-N 2 1 606.117 4.650 1 0 KJAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[NH+]1CCc1ccccn1)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864269 561973055 /nfs/dbraw/zinc/97/30/55/561973055.db2.gz RJMQDUQSQDWCOB-AREMUKBSSA-N 2 1 606.117 4.650 1 0 KJAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@H+]1CCc1ccccn1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864269 561973053 /nfs/dbraw/zinc/97/30/53/561973053.db2.gz RJMQDUQSQDWCOB-AREMUKBSSA-N 2 1 606.117 4.650 1 0 KJAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[N@@H+]1CCc1ccccn1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864269 561973052 /nfs/dbraw/zinc/97/30/52/561973052.db2.gz RJMQDUQSQDWCOB-AREMUKBSSA-N 2 1 606.117 4.650 1 0 KJAFMP C[NH+](C)[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(Cl)cc1)C2)c1ccccc1 ZINC000028864271 561973159 /nfs/dbraw/zinc/97/31/59/561973159.db2.gz WILRMDUJGFWPPI-LJAQVGFWSA-N 2 1 565.064 4.851 1 0 KJAFMP C[NH+](C)[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(Cl)cc1)C2)c1ccccc1 ZINC000028864271 561973158 /nfs/dbraw/zinc/97/31/58/561973158.db2.gz WILRMDUJGFWPPI-LJAQVGFWSA-N 2 1 565.064 4.851 1 0 KJAFMP COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccc(C(=O)NCC[NH+](C)C)c3)oc21 ZINC000028878039 561976074 /nfs/dbraw/zinc/97/60/74/561976074.db2.gz MGJOAQODMQCCGV-UHFFFAOYSA-N 2 1 543.664 4.975 1 0 KJAFMP COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)oc21 ZINC000028878084 561976046 /nfs/dbraw/zinc/97/60/46/561976046.db2.gz IVEMQVDPOPYVKY-UHFFFAOYSA-N 2 1 533.669 4.717 1 0 KJAFMP COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)oc21 ZINC000028878084 561976045 /nfs/dbraw/zinc/97/60/45/561976045.db2.gz IVEMQVDPOPYVKY-UHFFFAOYSA-N 2 1 533.669 4.717 1 0 KJAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CC[NH+](C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953551 561982324 /nfs/dbraw/zinc/98/23/24/561982324.db2.gz ZPGWSMSWUGDMDJ-IHLOFXLRSA-N 2 1 565.202 4.970 1 0 KJAFMP CC(C)[N@@H+]1C[C@H](C(=O)N2CC[NH+](C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953551 561982322 /nfs/dbraw/zinc/98/23/22/561982322.db2.gz ZPGWSMSWUGDMDJ-IHLOFXLRSA-N 2 1 565.202 4.970 1 0 KJAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccco4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953706 561982508 /nfs/dbraw/zinc/98/25/08/561982508.db2.gz HGKMYGLOLULUCK-IZLXSDGUSA-N 2 1 527.153 4.994 1 0 KJAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccoc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953728 561982492 /nfs/dbraw/zinc/98/24/92/561982492.db2.gz LGPQYEJGWLGLAJ-IZLXSDGUSA-N 2 1 527.153 4.994 1 0 KJAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4nccs4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953735 561982448 /nfs/dbraw/zinc/98/24/48/561982448.db2.gz WZYCVLMRRGSXKF-FTJBHMTQSA-N 2 1 544.209 4.857 1 0 KJAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccn4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953813 561982550 /nfs/dbraw/zinc/98/25/50/561982550.db2.gz JFDFGNJSMNQBIE-WDYNHAJCSA-N 2 1 538.180 4.796 1 0 KJAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cccnc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953816 561982474 /nfs/dbraw/zinc/98/24/74/561982474.db2.gz JXZXACOJLYOEII-WDYNHAJCSA-N 2 1 538.180 4.796 1 0 KJAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953825 561982634 /nfs/dbraw/zinc/98/26/34/561982634.db2.gz SJONUAZTIADEJJ-WDYNHAJCSA-N 2 1 538.180 4.796 1 0 KJAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]CCc4ccccn4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953875 561982594 /nfs/dbraw/zinc/98/25/94/561982594.db2.gz DYWHPNRMYVPDBS-IHLOFXLRSA-N 2 1 552.207 4.838 1 0 KJAFMP Cc1[nH+]ccn1Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959642 561983934 /nfs/dbraw/zinc/98/39/34/561983934.db2.gz HFZXMUYVCMYCJC-RRPNLBNLSA-N 2 1 506.094 4.666 1 0 KJAFMP Cc1[nH+]ccn1Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959642 561983933 /nfs/dbraw/zinc/98/39/33/561983933.db2.gz HFZXMUYVCMYCJC-RRPNLBNLSA-N 2 1 506.094 4.666 1 0 KJAFMP Cc1c[nH+]cn1Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959646 561983906 /nfs/dbraw/zinc/98/39/06/561983906.db2.gz XIQWGUZTBXYFIW-RRPNLBNLSA-N 2 1 506.094 4.666 1 0 KJAFMP Cc1c[nH+]cn1Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959646 561983905 /nfs/dbraw/zinc/98/39/05/561983905.db2.gz XIQWGUZTBXYFIW-RRPNLBNLSA-N 2 1 506.094 4.666 1 0 KJAFMP CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CC3CC[NH2+]CC3)CC2)C1 ZINC000028959785 561983880 /nfs/dbraw/zinc/98/38/80/561983880.db2.gz CCFHTGXMQLCUQJ-WUFINQPMSA-N 2 1 509.138 4.655 1 0 KJAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)C[NH+](C)C)C(C)C)c1 ZINC000028960058 561983912 /nfs/dbraw/zinc/98/39/12/561983912.db2.gz BMMGOGXSWCPOBQ-LBRLCBGXSA-N 2 1 582.233 4.796 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](CC3CC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975333 561986417 /nfs/dbraw/zinc/98/64/17/561986417.db2.gz GIMZSPHDTTYQLI-BFLUCZKCSA-N 2 1 541.737 4.970 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](CC3CC3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975333 561986415 /nfs/dbraw/zinc/98/64/15/561986415.db2.gz GIMZSPHDTTYQLI-BFLUCZKCSA-N 2 1 541.737 4.970 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975333 561986412 /nfs/dbraw/zinc/98/64/12/561986412.db2.gz GIMZSPHDTTYQLI-BFLUCZKCSA-N 2 1 541.737 4.970 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](C3CCN(C(C)=O)CC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975339 561986494 /nfs/dbraw/zinc/98/64/94/561986494.db2.gz SEGSTAYQKLCBCH-IWVFXYMLSA-N 2 1 612.816 4.571 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](C3CCN(C(C)=O)CC3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975339 561986492 /nfs/dbraw/zinc/98/64/92/561986492.db2.gz SEGSTAYQKLCBCH-IWVFXYMLSA-N 2 1 612.816 4.571 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C(C)=O)CC3)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975339 561986491 /nfs/dbraw/zinc/98/64/91/561986491.db2.gz SEGSTAYQKLCBCH-IWVFXYMLSA-N 2 1 612.816 4.571 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975345 561986393 /nfs/dbraw/zinc/98/63/93/561986393.db2.gz IATQFPFNGNYBPW-BXTSTYNKSA-N 2 1 584.806 4.654 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](CC3CC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975443 561986620 /nfs/dbraw/zinc/98/66/20/561986620.db2.gz BGRYRZFRZVJJFE-KYPHJKQUSA-N 2 1 541.737 4.970 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](CC3CC3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975443 561986619 /nfs/dbraw/zinc/98/66/19/561986619.db2.gz BGRYRZFRZVJJFE-KYPHJKQUSA-N 2 1 541.737 4.970 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@@H+](CC3CC3)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975443 561986617 /nfs/dbraw/zinc/98/66/17/561986617.db2.gz BGRYRZFRZVJJFE-KYPHJKQUSA-N 2 1 541.737 4.970 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](C3CCN(C(C)=O)CC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975447 561986544 /nfs/dbraw/zinc/98/65/44/561986544.db2.gz GQPVTPBVODGSBT-QXTIUPHPSA-N 2 1 612.816 4.571 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](C3CCN(C(C)=O)CC3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975447 561986542 /nfs/dbraw/zinc/98/65/42/561986542.db2.gz GQPVTPBVODGSBT-QXTIUPHPSA-N 2 1 612.816 4.571 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@@H+](C3CCN(C(C)=O)CC3)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975447 561986540 /nfs/dbraw/zinc/98/65/40/561986540.db2.gz GQPVTPBVODGSBT-QXTIUPHPSA-N 2 1 612.816 4.571 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@H+](C3CCN(C(C)=O)CC3)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975447 561986538 /nfs/dbraw/zinc/98/65/38/561986538.db2.gz GQPVTPBVODGSBT-QXTIUPHPSA-N 2 1 612.816 4.571 1 0 KJAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CN(C3CC[NH+](C)CC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975453 561986662 /nfs/dbraw/zinc/98/66/62/561986662.db2.gz DUQPPLUAQADJCL-PNIUZAESSA-N 2 1 584.806 4.654 1 0 KJAFMP [NH3+][C@@H](CC1CCCCC1)Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000029060218 561995648 /nfs/dbraw/zinc/99/56/48/561995648.db2.gz NEGWOZCGMVPOEG-QHCPKHFHSA-N 2 1 557.085 4.846 1 0 KJAFMP [NH3+][C@@H](CC1CCCCC1)Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000029060218 561995647 /nfs/dbraw/zinc/99/56/47/561995647.db2.gz NEGWOZCGMVPOEG-QHCPKHFHSA-N 2 1 557.085 4.846 1 0 KJAFMP [NH3+][C@H](CC1CCCCC1)Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000029060225 561995651 /nfs/dbraw/zinc/99/56/51/561995651.db2.gz NEGWOZCGMVPOEG-HSZRJFAPSA-N 2 1 557.085 4.846 1 0 KJAFMP [NH3+][C@H](CC1CCCCC1)Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000029060225 561995650 /nfs/dbraw/zinc/99/56/50/561995650.db2.gz NEGWOZCGMVPOEG-HSZRJFAPSA-N 2 1 557.085 4.846 1 0 KJAFMP C[C@@H](CC[N@H+]1CCc2c(c(=O)n(CC[NH+]3CCCCC3)c(=O)n2Cc2c(F)cccc2F)C1)CC(C)(C)C ZINC000029060705 561995653 /nfs/dbraw/zinc/99/56/53/561995653.db2.gz DLHODBGBXCELJA-QFIPXVFZSA-N 2 1 530.704 4.643 1 0 KJAFMP C[C@H](CC[N@H+]1CCc2c(c(=O)n(CC[NH+]3CCCCC3)c(=O)n2Cc2c(F)cccc2F)C1)CC(C)(C)C ZINC000029060710 561995665 /nfs/dbraw/zinc/99/56/65/561995665.db2.gz DLHODBGBXCELJA-JOCHJYFZSA-N 2 1 530.704 4.643 1 0 KJAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000029130269 562002378 /nfs/dbraw/zinc/00/23/78/562002378.db2.gz YZFGLYSCMDRPPR-HEHLMWRFSA-N 2 1 601.758 4.642 1 0 KJAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000029130357 562002524 /nfs/dbraw/zinc/00/25/24/562002524.db2.gz YEUBWLQDBIKYSD-PZXMZKPCSA-N 2 1 601.758 4.642 1 0 KJAFMP Cc1cccc([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 ZINC000029130489 562002593 /nfs/dbraw/zinc/00/25/93/562002593.db2.gz YWHUDUIEXKHFJO-LBRLCBGXSA-N 2 1 579.805 4.672 1 0 KJAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2cccc(F)c2)CC1 ZINC000029130491 562002534 /nfs/dbraw/zinc/00/25/34/562002534.db2.gz LIOMBGTYRNUNNP-QXIHQKPUSA-N 2 1 583.768 4.502 1 0 KJAFMP Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+](C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000029131054 562002844 /nfs/dbraw/zinc/00/28/44/562002844.db2.gz XJIWJTAALOWWFJ-RASJINCSSA-N 2 1 638.297 4.957 1 0 KJAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000029131061 562002848 /nfs/dbraw/zinc/00/28/48/562002848.db2.gz XJIWJTAALOWWFJ-UKAHRKLESA-N 2 1 638.297 4.957 1 0 KJAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2cc(F)cc(F)c2)CC1 ZINC000029131548 562003229 /nfs/dbraw/zinc/00/32/29/562003229.db2.gz GIDRZUZJOGBZEN-QXIHQKPUSA-N 2 1 601.758 4.642 1 0 KJAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000029131550 562003145 /nfs/dbraw/zinc/00/31/45/562003145.db2.gz MFZOJIKQOIALPN-NTWBYJAHSA-N 2 1 619.748 4.781 1 0 KJAFMP Cc1cc(-c2cc(OC(=O)C[NH3+])ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029135895 562004644 /nfs/dbraw/zinc/00/46/44/562004644.db2.gz SOJNQHUFONCMOD-UHFFFAOYSA-N 2 1 533.032 4.736 1 0 KJAFMP CCCCC[NH+]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[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252851 562011388 /nfs/dbraw/zinc/01/13/88/562011388.db2.gz VXSPNGNSOYREIE-IWRYZOJTSA-N 2 1 677.842 4.604 1 0 KJAFMP CCCCC[NH+]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[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252851 562011386 /nfs/dbraw/zinc/01/13/86/562011386.db2.gz VXSPNGNSOYREIE-IWRYZOJTSA-N 2 1 677.842 4.604 1 0 KJAFMP CCCCC[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 ZINC000029252851 562011384 /nfs/dbraw/zinc/01/13/84/562011384.db2.gz VXSPNGNSOYREIE-IWRYZOJTSA-N 2 1 677.842 4.604 1 0 KJAFMP Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CCc2ccccc2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@H]5O4 ZINC000029254077 562011530 /nfs/dbraw/zinc/01/15/30/562011530.db2.gz RIIOHYVJMPLXEI-CTHHFRLWSA-N 2 1 711.859 4.657 1 0 KJAFMP Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CCc2ccccc2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@H+]2CC1CC1)[C@H]5O4 ZINC000029254077 562011526 /nfs/dbraw/zinc/01/15/26/562011526.db2.gz RIIOHYVJMPLXEI-CTHHFRLWSA-N 2 1 711.859 4.657 1 0 KJAFMP Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CCc1ccccc1)[C@H]5O4 ZINC000029254077 562011525 /nfs/dbraw/zinc/01/15/25/562011525.db2.gz RIIOHYVJMPLXEI-CTHHFRLWSA-N 2 1 711.859 4.657 1 0 KJAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCNC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389543 562016998 /nfs/dbraw/zinc/01/69/98/562016998.db2.gz QJTIBSMGWLVSTE-VIJSPRBVSA-N 2 1 559.582 4.777 1 0 KJAFMP [NH3+]CCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029398917 562019223 /nfs/dbraw/zinc/01/92/23/562019223.db2.gz RCTWLVXHMKSTOS-UHFFFAOYSA-N 2 1 523.468 4.594 1 0 KJAFMP COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)CCCCCC[NH+](C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029407952 562021077 /nfs/dbraw/zinc/02/10/77/562021077.db2.gz XTQSACOVMOQXLB-UDYUOCFDSA-N 2 1 568.711 4.600 1 0 KJAFMP COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)CCCCCC[NH+](C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029407954 562021058 /nfs/dbraw/zinc/02/10/58/562021058.db2.gz XTQSACOVMOQXLB-SOVVWBNOSA-N 2 1 568.711 4.600 1 0 KJAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](C)CC1)[N@@H+](C)CC1CCCCC1 ZINC000029475069 562026343 /nfs/dbraw/zinc/02/63/43/562026343.db2.gz GITKXXBJJFLYLD-LQJZCPKCSA-N 2 1 576.826 4.994 1 0 KJAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](C)CC1)[N@H+](C)CC1CCCCC1 ZINC000029475069 562026342 /nfs/dbraw/zinc/02/63/42/562026342.db2.gz GITKXXBJJFLYLD-LQJZCPKCSA-N 2 1 576.826 4.994 1 0 KJAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](C)CC1)[N@@H+](C)C1CCCCC1 ZINC000029482088 562027491 /nfs/dbraw/zinc/02/74/91/562027491.db2.gz VPHKTUHKHFICOY-ACHIHNKUSA-N 2 1 562.799 4.746 1 0 KJAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](C)CC1)[N@H+](C)C1CCCCC1 ZINC000029482088 562027490 /nfs/dbraw/zinc/02/74/90/562027490.db2.gz VPHKTUHKHFICOY-ACHIHNKUSA-N 2 1 562.799 4.746 1 0 KJAFMP CN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(C)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029551612 562031194 /nfs/dbraw/zinc/03/11/94/562031194.db2.gz JNWSXLWBKCGBLL-ROJLCIKYSA-N 2 1 594.756 4.708 1 0 KJAFMP CN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029551616 562031164 /nfs/dbraw/zinc/03/11/64/562031164.db2.gz JNWSXLWBKCGBLL-MEKGRNQZSA-N 2 1 594.756 4.708 1 0 KJAFMP CN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029551616 562031163 /nfs/dbraw/zinc/03/11/63/562031163.db2.gz JNWSXLWBKCGBLL-MEKGRNQZSA-N 2 1 594.756 4.708 1 0 KJAFMP CN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029551616 562031162 /nfs/dbraw/zinc/03/11/62/562031162.db2.gz JNWSXLWBKCGBLL-MEKGRNQZSA-N 2 1 594.756 4.708 1 0 KJAFMP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000033504557 562037426 /nfs/dbraw/zinc/03/74/26/562037426.db2.gz ZZWCWEGNNCVDPY-SSEXGKCCSA-N 2 1 539.786 4.809 1 0 KJAFMP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000033504558 562037397 /nfs/dbraw/zinc/03/73/97/562037397.db2.gz ZZWCWEGNNCVDPY-PMERELPUSA-N 2 1 539.786 4.809 1 0 KJAFMP O=C(NCc1ccccc1)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)cc2)C1 ZINC000034624868 562039268 /nfs/dbraw/zinc/03/92/68/562039268.db2.gz ZDPYMPPMCCZBQQ-ACHIHNKUSA-N 2 1 538.736 4.743 1 0 KJAFMP COC(=O)[C@H](C)CN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000034689188 562039649 /nfs/dbraw/zinc/03/96/49/562039649.db2.gz WHWVUIVBICTFFL-HXUWFJFHSA-N 2 1 553.711 4.907 1 0 KJAFMP COC(=O)[C@H](C)CN(c1ccc2[nH+]c(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000034689189 562039642 /nfs/dbraw/zinc/03/96/42/562039642.db2.gz NKIYBUFLKCGVNM-HXUWFJFHSA-N 3 1 553.711 4.907 1 0 KJAFMP CC(=[NH2+])N1CCC(N(C[C@@H](C)C(=O)[O-])c2ccc3[nH+]c(C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000036107663 562047342 /nfs/dbraw/zinc/04/73/42/562047342.db2.gz ZVZMASPVTUJLPJ-LJQANCHMSA-N 2 1 539.684 4.819 1 0 KJAFMP CCCCC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@@H]3O5 ZINC000036221079 562051413 /nfs/dbraw/zinc/05/14/13/562051413.db2.gz LHABVQRHEYQPMS-BESSAKRQSA-N 2 1 526.681 4.830 1 0 KJAFMP CCCCC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000036221082 562051442 /nfs/dbraw/zinc/05/14/42/562051442.db2.gz LHABVQRHEYQPMS-DZVDWBIPSA-N 2 1 526.681 4.830 1 0 KJAFMP CCCCC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@@H]3O5 ZINC000036221141 562051419 /nfs/dbraw/zinc/05/14/19/562051419.db2.gz UAIUAJRUOCAUGH-PFFZYSGCSA-N 2 1 540.708 4.872 1 0 KJAFMP CC[NH+](CC)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036284765 562053368 /nfs/dbraw/zinc/05/33/68/562053368.db2.gz QTJSMJTVECGMBP-SLGZMBILSA-N 2 1 608.271 4.517 1 0 KJAFMP CC[NH+](CC)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036284769 562053360 /nfs/dbraw/zinc/05/33/60/562053360.db2.gz QTJSMJTVECGMBP-WRVRXEDSSA-N 2 1 608.271 4.517 1 0 KJAFMP CC[NH+](CC)C[C@@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036284980 562053645 /nfs/dbraw/zinc/05/36/45/562053645.db2.gz AVVCPIMDJWIBFD-CKOYEXALSA-N 2 1 622.298 4.907 1 0 KJAFMP CC[NH+](CC)C[C@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036284984 562053658 /nfs/dbraw/zinc/05/36/58/562053658.db2.gz AVVCPIMDJWIBFD-LBFZIJHGSA-N 2 1 622.298 4.907 1 0 KJAFMP CC[NH+](CC)C[C@@H](C1CCCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036285031 562053632 /nfs/dbraw/zinc/05/36/32/562053632.db2.gz DIMIWYVVVZJRMN-SXLOSVNLSA-N 2 1 622.298 4.907 1 0 KJAFMP CC[NH+](CC)C[C@H](C1CCCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036285035 562053643 /nfs/dbraw/zinc/05/36/43/562053643.db2.gz DIMIWYVVVZJRMN-CKOYEXALSA-N 2 1 622.298 4.907 1 0 KJAFMP COc1cccc(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 ZINC000036350258 562058105 /nfs/dbraw/zinc/05/81/05/562058105.db2.gz MDGYMVFSBKXGQB-CKKSYRDUSA-N 2 1 633.834 4.633 1 0 KJAFMP COc1cccc(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 ZINC000036350259 562058090 /nfs/dbraw/zinc/05/80/90/562058090.db2.gz MDGYMVFSBKXGQB-XGRPBWIBSA-N 2 1 633.834 4.633 1 0 KJAFMP CN1CC[NH+](CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[NH+](C)C)c4)C[C@@H]3C2)CC1 ZINC000036351809 562059426 /nfs/dbraw/zinc/05/94/26/562059426.db2.gz UHWJCLZESHKMAC-NVDQFQLTSA-N 2 1 536.715 4.857 1 0 KJAFMP CC[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H](Cc1ccc(O)cc1)N(CC)C[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000038147602 562065550 /nfs/dbraw/zinc/06/55/50/562065550.db2.gz RAUSFOOIAODGPX-ZYADHFCISA-N 3 1 615.907 4.908 1 0 KJAFMP CN1CC[NH+](CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[N@H+]5CCC[C@H]5CO)c4)C[C@@H]3C2)CC1 ZINC000038149792 562066191 /nfs/dbraw/zinc/06/61/91/562066191.db2.gz CQLUIXRFWRPBOB-CWFKBQJKSA-N 2 1 592.779 4.752 1 0 KJAFMP CN1CC[NH+](CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[N@@H+]5CCC[C@H]5CO)c4)C[C@@H]3C2)CC1 ZINC000038149792 562066190 /nfs/dbraw/zinc/06/61/90/562066190.db2.gz CQLUIXRFWRPBOB-CWFKBQJKSA-N 2 1 592.779 4.752 1 0 KJAFMP C[NH+]1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[N@H+]5CCC[C@H]5CO)c4)C[C@@H]3C2)CC1 ZINC000038149792 562066188 /nfs/dbraw/zinc/06/61/88/562066188.db2.gz CQLUIXRFWRPBOB-CWFKBQJKSA-N 2 1 592.779 4.752 1 0 KJAFMP CC[NH+](CC)Cc1ccc(OCCCC[N@H+]2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C2)cc1 ZINC000040402394 562074751 /nfs/dbraw/zinc/07/47/51/562074751.db2.gz GOISZTQNZMENLA-HOMRVSDPSA-N 2 1 506.687 4.922 1 0 KJAFMP CN(CC[NH+](C)C)C(=O)c1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040405200 562074983 /nfs/dbraw/zinc/07/49/83/562074983.db2.gz XFHOAEIPIHFKFF-UHFFFAOYSA-N 2 1 523.081 4.690 1 0 KJAFMP C[NH+](C)CCCNC(=O)c1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040405595 562074968 /nfs/dbraw/zinc/07/49/68/562074968.db2.gz LTNOFXLGDDNJGH-UHFFFAOYSA-N 2 1 523.081 4.738 1 0 KJAFMP C[NH+]1CCN(CCC(=O)N[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040429211 562076701 /nfs/dbraw/zinc/07/67/01/562076701.db2.gz QYIQPSSWHKZILG-WYJFYEORSA-N 2 1 514.758 4.715 1 0 KJAFMP CN1CC[NH+](CCC(=O)N2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040431365 562076842 /nfs/dbraw/zinc/07/68/42/562076842.db2.gz ZDRIKSGZRQIWCF-GNWHWUCQSA-N 2 1 514.758 4.811 1 0 KJAFMP CN1CC[NH+](CCC(=O)N2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040431367 562077038 /nfs/dbraw/zinc/07/70/38/562077038.db2.gz ZDRIKSGZRQIWCF-BLBFUENDSA-N 2 1 514.758 4.811 1 0 KJAFMP C[NH+]1CCN(CC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040879170 562082437 /nfs/dbraw/zinc/08/24/37/562082437.db2.gz TWPUQLSTEDVVMR-GJTYJFQVSA-N 2 1 501.715 4.752 1 0 KJAFMP [NH3+]CCCC(=O)OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000040879565 562082471 /nfs/dbraw/zinc/08/24/71/562082471.db2.gz LNJVBKQGWKWNDE-UHFFFAOYSA-N 2 1 522.637 4.598 1 0 KJAFMP O=C(C[NH+]1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc32)cc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000040897888 562083144 /nfs/dbraw/zinc/08/31/44/562083144.db2.gz DOSDPMXDSKRFTI-UHFFFAOYSA-N 2 1 535.092 4.882 1 0 KJAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCOC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000040898981 562083276 /nfs/dbraw/zinc/08/32/76/562083276.db2.gz KKXVHHRAFBLUGV-OBWKWBNQSA-N 2 1 518.698 4.682 1 0 KJAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000040918545 562084387 /nfs/dbraw/zinc/08/43/87/562084387.db2.gz JJKLLEHFPKRJTB-HOMRVSDPSA-N 2 1 504.671 4.676 1 0 KJAFMP CC(C)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O ZINC000043063442 562645262 /nfs/dbraw/zinc/64/52/62/562645262.db2.gz VJHTXZAEBALHDW-YIKNKFAXSA-N 2 1 596.829 4.542 1 0 KJAFMP CC(C)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)S(C)(=O)=O ZINC000043063442 562645261 /nfs/dbraw/zinc/64/52/61/562645261.db2.gz VJHTXZAEBALHDW-YIKNKFAXSA-N 2 1 596.829 4.542 1 0 KJAFMP CN(C(=O)c1ccccc1)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C)C(=O)c4ccccc4)C3)cc2)C1 ZINC000043099805 562645917 /nfs/dbraw/zinc/64/59/17/562645917.db2.gz JNWSXLWBKCGBLL-ACHIHNKUSA-N 2 1 594.756 4.708 1 0 KJAFMP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CCCCC[N@@H+](C)CCc2c[nH]c3ccccc23)CC1 ZINC000043119921 562646063 /nfs/dbraw/zinc/64/60/63/562646063.db2.gz XALYLOGPBGCSDB-UHFFFAOYSA-N 2 1 526.125 4.951 1 0 KJAFMP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc2ccccc21 ZINC000043532511 562649350 /nfs/dbraw/zinc/64/93/50/562649350.db2.gz PDESKMSXRQQMBF-UHFFFAOYSA-N 2 1 552.144 4.830 1 0 KJAFMP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)NCCCN2CC[NH2+]CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000044351266 562654575 /nfs/dbraw/zinc/65/45/75/562654575.db2.gz FBPYLFOGJJZAHD-UHFFFAOYSA-N 2 1 594.160 4.578 1 0 KJAFMP C[NH+](C)CCNC(=O)OCc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000044430641 562657625 /nfs/dbraw/zinc/65/76/25/562657625.db2.gz QFYVJSKQPQIBGR-UHFFFAOYSA-N 2 1 539.080 4.844 1 0 KJAFMP O=C(N[C@H]1CC[N@@H+](CCc2ccc(OC3CC[NH2+]CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000044431659 562657910 /nfs/dbraw/zinc/65/79/10/562657910.db2.gz AHLTYPAWFCTNMI-SFHVURJKSA-N 2 1 541.317 4.934 1 0 KJAFMP O=C(N[C@H]1CC[N@H+](CCc2ccc(OC3CC[NH2+]CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000044431659 562657909 /nfs/dbraw/zinc/65/79/09/562657909.db2.gz AHLTYPAWFCTNMI-SFHVURJKSA-N 2 1 541.317 4.934 1 0 KJAFMP Cc1noc(C)c1C[NH+]1CCCN(c2ccc3c(c2)CC[N@H+](Cc2ccc(-c4ncc[nH]4)cc2)CC3)CC1 ZINC000045188419 562658347 /nfs/dbraw/zinc/65/83/47/562658347.db2.gz LXIQEFUKTIOSFC-UHFFFAOYSA-N 2 1 510.686 4.995 1 0 KJAFMP Cc1noc(C)c1C[NH+]1CCCN(c2ccc3c(c2)CC[N@@H+](Cc2ccc(-c4ncc[nH]4)cc2)CC3)CC1 ZINC000045188419 562658346 /nfs/dbraw/zinc/65/83/46/562658346.db2.gz LXIQEFUKTIOSFC-UHFFFAOYSA-N 2 1 510.686 4.995 1 0 KJAFMP Cc1noc(C)c1C[N@H+]1CCCN(c2ccc3c(c2)CC[NH+](Cc2ccc(-c4ncc[nH]4)cc2)CC3)CC1 ZINC000045188419 562658345 /nfs/dbraw/zinc/65/83/45/562658345.db2.gz LXIQEFUKTIOSFC-UHFFFAOYSA-N 2 1 510.686 4.995 1 0 KJAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCc3ccccc3-c3cccc(Cl)c3)[nH+]2)cc1 ZINC000045191335 562658543 /nfs/dbraw/zinc/65/85/43/562658543.db2.gz FQLZXYCLWQDLCW-UHFFFAOYSA-N 2 1 516.049 4.574 1 0 KJAFMP Cc1cc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)ccc1N1CC[NH+](C(C)C)CC1 ZINC000045195038 562658885 /nfs/dbraw/zinc/65/88/85/562658885.db2.gz JNFDCMZMGJXSMP-UHFFFAOYSA-N 2 1 518.533 4.983 1 0 KJAFMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@@]1(C)Cc2ccc(O)cc2C[NH2+]1 ZINC000045290060 562660297 /nfs/dbraw/zinc/66/02/97/562660297.db2.gz DAJWTURPBVTSIB-FAEOHAEXSA-N 2 1 507.719 4.636 1 0 KJAFMP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)[C@@H](C)C1)NC(=O)[C@@]1(C)Cc2ccc(O)cc2C[NH2+]1 ZINC000045290060 562660296 /nfs/dbraw/zinc/66/02/96/562660296.db2.gz DAJWTURPBVTSIB-FAEOHAEXSA-N 2 1 507.719 4.636 1 0 KJAFMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@]1(C)Cc2ccc(OC)cc2C[NH2+]1 ZINC000045300582 562660438 /nfs/dbraw/zinc/66/04/38/562660438.db2.gz GGBNTYXPXJWTGG-FAEOHAEXSA-N 2 1 507.719 4.636 1 0 KJAFMP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@]1(C)Cc2ccc(OC)cc2C[NH2+]1 ZINC000045300582 562660437 /nfs/dbraw/zinc/66/04/37/562660437.db2.gz GGBNTYXPXJWTGG-FAEOHAEXSA-N 2 1 507.719 4.636 1 0 KJAFMP COc1cccc([C@]2(C)CC[N@H+](C[C@@H](NC(=O)[C@@]3(C)Cc4ccc(OC)cc4C[NH2+]3)C(C)C)C[C@@H]2C)c1 ZINC000045301062 562660496 /nfs/dbraw/zinc/66/04/96/562660496.db2.gz DYBGUYRXHWGUMN-NSPDZHQZSA-N 2 1 507.719 4.549 1 0 KJAFMP COc1cccc([C@]2(C)CC[N@@H+](C[C@@H](NC(=O)[C@@]3(C)Cc4ccc(OC)cc4C[NH2+]3)C(C)C)C[C@@H]2C)c1 ZINC000045301062 562660495 /nfs/dbraw/zinc/66/04/95/562660495.db2.gz DYBGUYRXHWGUMN-NSPDZHQZSA-N 2 1 507.719 4.549 1 0 KJAFMP OCCCCCCNc1nc(N2CC[NH2+]CC2)nc(NCc2ccccc2-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000045302299 562660613 /nfs/dbraw/zinc/66/06/13/562660613.db2.gz NGDHAMIERNYMJH-UHFFFAOYSA-N 2 1 529.611 4.544 1 0 KJAFMP O=C(c1cccc(COc2ccc3c(c2)CC[N@@H+](C2CCCC2)CC3)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000045335171 562661349 /nfs/dbraw/zinc/66/13/49/562661349.db2.gz BFQLRZOHYAZOQI-UHFFFAOYSA-N 2 1 510.682 4.966 1 0 KJAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCN3CC[NH2+]CC3)c3ccccc23)C1 ZINC000049605048 562665307 /nfs/dbraw/zinc/66/53/07/562665307.db2.gz DTLSHMZSADNLMO-IZEXYCQBSA-N 2 1 627.855 4.874 1 0 KJAFMP [NH3+]CCCNc1nc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)cc[nH+]1 ZINC000049605248 562665592 /nfs/dbraw/zinc/66/55/92/562665592.db2.gz QWIBZNQCPIRIMJ-UHFFFAOYSA-N 2 1 535.027 4.705 1 0 KJAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)[nH+]2)cc1 ZINC000049605366 562665744 /nfs/dbraw/zinc/66/57/44/562665744.db2.gz PZXIMMWLVKWMII-UHFFFAOYSA-N 2 1 549.601 4.939 1 0 KJAFMP O=C(N[C@H]1CC[N@@H+](CCc2ccc(O[C@H]3CC[NH2+]C3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049745706 562674001 /nfs/dbraw/zinc/67/40/01/562674001.db2.gz QGPQBNKZRCKMTF-ROUUACIJSA-N 2 1 527.290 4.543 1 0 KJAFMP O=C(N[C@H]1CC[N@H+](CCc2ccc(O[C@H]3CC[NH2+]C3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049745706 562674000 /nfs/dbraw/zinc/67/40/00/562674000.db2.gz QGPQBNKZRCKMTF-ROUUACIJSA-N 2 1 527.290 4.543 1 0 KJAFMP C[N@H+]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000049781327 562682940 /nfs/dbraw/zinc/68/29/40/562682940.db2.gz MHDGQTOZQLQWQP-HSZRJFAPSA-N 3 1 583.740 4.930 1 0 KJAFMP C[N@H+]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049781329 562682955 /nfs/dbraw/zinc/68/29/55/562682955.db2.gz MHDGQTOZQLQWQP-QHCPKHFHSA-N 3 1 583.740 4.930 1 0 KJAFMP c1ccc(N2[C@@H]3[C@H]4CC[NH+]5CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)N3c4ccccc4[C@@]45CC[N@@H+]6CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@H]65)cc1 ZINC000049781910 562683122 /nfs/dbraw/zinc/68/31/22/562683122.db2.gz VDEOWAISRHKINC-MPCDFULNSA-N 2 1 586.780 4.631 1 0 KJAFMP c1ccc(N2[C@@H]3[C@H]4CC[NH+]5CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)N3c4ccccc4[C@@]45CC[N@H+]6CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@H]65)cc1 ZINC000049781910 562683121 /nfs/dbraw/zinc/68/31/21/562683121.db2.gz VDEOWAISRHKINC-MPCDFULNSA-N 2 1 586.780 4.631 1 0 KJAFMP c1ccc(N2[C@@H]3[C@H]4CC[N@H+]5CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)N3c4ccccc4[C@@]45CC[NH+]6CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@H]65)cc1 ZINC000049781910 562683120 /nfs/dbraw/zinc/68/31/20/562683120.db2.gz VDEOWAISRHKINC-MPCDFULNSA-N 2 1 586.780 4.631 1 0 KJAFMP C[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccc(=O)[nH]c7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841134 562688037 /nfs/dbraw/zinc/68/80/37/562688037.db2.gz OMPIYXLSPSTIIT-UHFFFAOYSA-N 2 1 638.780 4.964 1 0 KJAFMP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(NCCc3ccc(Cl)cc3)c2cc1OC ZINC000049881706 562691054 /nfs/dbraw/zinc/69/10/54/562691054.db2.gz PTAGCXBAEBBEDM-NRFANRHFSA-N 2 1 540.108 4.628 1 0 KJAFMP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(NCCc3ccc(Cl)cc3)c2cc1OC ZINC000049881706 562691053 /nfs/dbraw/zinc/69/10/53/562691053.db2.gz PTAGCXBAEBBEDM-NRFANRHFSA-N 2 1 540.108 4.628 1 0 KJAFMP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(NCCc3ccc(Cl)cc3)c2cc1OC ZINC000049881707 562691038 /nfs/dbraw/zinc/69/10/38/562691038.db2.gz PTAGCXBAEBBEDM-OAQYLSRUSA-N 2 1 540.108 4.628 1 0 KJAFMP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(NCCc3ccc(Cl)cc3)c2cc1OC ZINC000049881707 562691037 /nfs/dbraw/zinc/69/10/37/562691037.db2.gz PTAGCXBAEBBEDM-OAQYLSRUSA-N 2 1 540.108 4.628 1 0 KJAFMP C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049888781 562691430 /nfs/dbraw/zinc/69/14/30/562691430.db2.gz NQGQLKZLDUJDEA-NOWQQFBNSA-N 2 1 711.929 4.530 1 0 KJAFMP C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049889549 562692196 /nfs/dbraw/zinc/69/21/96/562692196.db2.gz ZZGLTXNPJZVYPI-KNXHFOKOSA-N 2 1 729.919 4.669 1 0 KJAFMP Nc1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nc(N7CC[NH+](CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)n2)cn1 ZINC000049898847 562692909 /nfs/dbraw/zinc/69/29/09/562692909.db2.gz KOKMYZZUDCMIMA-UHFFFAOYSA-N 2 1 667.822 4.615 1 0 KJAFMP C/C=C1/C[NH+]2[C@@H]([C@@H]3C(=O)N4c5ccccc5[C@@]56CC[N@@H+]7CC8=CCO[C@@H]3[C@@H]([C@H]45)[C@H]8C[C@H]76)C[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000049899412 562693092 /nfs/dbraw/zinc/69/30/92/562693092.db2.gz PXWJNFJRUYWQOX-DSNAYJLUSA-N 2 1 650.823 4.725 1 0 in-vitro KJAFMP C/C=C1/C[NH+]2[C@@H]([C@@H]3C(=O)N4c5ccccc5[C@@]56CC[N@H+]7CC8=CCO[C@@H]3[C@@H]([C@H]45)[C@H]8C[C@H]76)C[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000049899412 562693091 /nfs/dbraw/zinc/69/30/91/562693091.db2.gz PXWJNFJRUYWQOX-DSNAYJLUSA-N 2 1 650.823 4.725 1 0 in-vitro KJAFMP C/C=C1/C[N@H+]2[C@@H]([C@@H]3C(=O)N4c5ccccc5[C@@]56CC[NH+]7CC8=CCO[C@@H]3[C@@H]([C@H]45)[C@H]8C[C@H]76)C[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000049899412 562693090 /nfs/dbraw/zinc/69/30/90/562693090.db2.gz PXWJNFJRUYWQOX-DSNAYJLUSA-N 2 1 650.823 4.725 1 0 in-vitro KJAFMP Oc1ccc(C[C@H]2CCCN(c3nc(N4CC[NH2+]CC4)nc(NCCCOc4ccccc4-c4ccccc4)[nH+]3)C2)cc1 ZINC000049917764 562693833 /nfs/dbraw/zinc/69/38/33/562693833.db2.gz AVSHXORGLDZTSV-HHHXNRCGSA-N 2 1 579.749 4.994 1 0 KJAFMP Oc1ccc(C[C@@H]2CCCN(c3nc(N4CC[NH2+]CC4)nc(NCCCOc4ccccc4-c4ccccc4)[nH+]3)C2)cc1 ZINC000049917765 562693904 /nfs/dbraw/zinc/69/39/04/562693904.db2.gz AVSHXORGLDZTSV-MHZLTWQESA-N 2 1 579.749 4.994 1 0 KJAFMP COc1cc(C(=O)N2CC[NH+](C(C)C)CC2)ccc1C[N@@H+](C)CCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000049918032 562694301 /nfs/dbraw/zinc/69/43/01/562694301.db2.gz WKWXTDKZZRBYMS-UHFFFAOYSA-N 2 1 576.613 4.812 1 0 KJAFMP COc1cc(C(=O)N2CC[NH+](C(C)C)CC2)ccc1C[N@H+](C)CCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000049918032 562694300 /nfs/dbraw/zinc/69/43/00/562694300.db2.gz WKWXTDKZZRBYMS-UHFFFAOYSA-N 2 1 576.613 4.812 1 0 KJAFMP CC(=O)N(C[C@@H]([NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)C(C)C ZINC000058487709 562698156 /nfs/dbraw/zinc/69/81/56/562698156.db2.gz QRNOQQMCKHDTEF-ZWEKWIFMSA-N 2 1 534.736 4.595 1 0 KJAFMP CC(=O)N(C[C@@H]([NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)C(C)C ZINC000058487709 562698155 /nfs/dbraw/zinc/69/81/55/562698155.db2.gz QRNOQQMCKHDTEF-ZWEKWIFMSA-N 2 1 534.736 4.595 1 0 KJAFMP CC(=O)N(C[C@H](CC(C)C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000058519681 562698479 /nfs/dbraw/zinc/69/84/79/562698479.db2.gz NRXOSRAXRKFLQU-DOEKTCAHSA-N 2 1 534.736 4.595 1 0 KJAFMP CC(C)[NH2+]C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058534571 562698669 /nfs/dbraw/zinc/69/86/69/562698669.db2.gz FVKCEDJRQYZWOJ-REUBFRLUSA-N 2 1 518.737 4.870 1 0 KJAFMP Oc1ccc2c3c1O[C@H]1c4sc5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@H]5O4 ZINC000058538189 562698764 /nfs/dbraw/zinc/69/87/64/562698764.db2.gz NQNVFVDZFZCYFC-YAUKWVCOSA-N 2 1 678.851 4.558 1 0 KJAFMP CCC[NH+](CCCCCC[N@@H+](CCC)[C@H]1CCc2[nH]c(=O)ccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000058635261 562701177 /nfs/dbraw/zinc/70/11/77/562701177.db2.gz XBMBHXSIWSUYDK-MHZLTWQESA-N 2 1 529.791 4.863 1 0 KJAFMP CCC[NH+](CCCCCC[N@H+](CCC)[C@H]1CCc2[nH]c(=O)ccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000058635261 562701176 /nfs/dbraw/zinc/70/11/76/562701176.db2.gz XBMBHXSIWSUYDK-MHZLTWQESA-N 2 1 529.791 4.863 1 0 KJAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC000058635261 562701175 /nfs/dbraw/zinc/70/11/75/562701175.db2.gz XBMBHXSIWSUYDK-MHZLTWQESA-N 2 1 529.791 4.863 1 0 KJAFMP C[NH+]1CCN(CCC(=O)N[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058660445 562701403 /nfs/dbraw/zinc/70/14/03/562701403.db2.gz QYIQPSSWHKZILG-UZBSQRRVSA-N 2 1 514.758 4.715 1 0 KJAFMP CC(C)[NH2+]C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000062213092 562704424 /nfs/dbraw/zinc/70/44/24/562704424.db2.gz FVKCEDJRQYZWOJ-ZRRKCSAHSA-N 2 1 518.737 4.870 1 0 KJAFMP CC(=O)N(C[C@H]([NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)C(C)C ZINC000062213094 562704389 /nfs/dbraw/zinc/70/43/89/562704389.db2.gz QRNOQQMCKHDTEF-WEWMWRJBSA-N 2 1 534.736 4.595 1 0 KJAFMP CC(=O)N(C[C@H]([NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)C(C)C ZINC000062213094 562704388 /nfs/dbraw/zinc/70/43/88/562704388.db2.gz QRNOQQMCKHDTEF-WEWMWRJBSA-N 2 1 534.736 4.595 1 0 KJAFMP CC(=O)N(C[C@@H](CC(C)C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000062213096 562704403 /nfs/dbraw/zinc/70/44/03/562704403.db2.gz NRXOSRAXRKFLQU-FXVJXKIMSA-N 2 1 534.736 4.595 1 0 KJAFMP CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000066066415 562709382 /nfs/dbraw/zinc/70/93/82/562709382.db2.gz HMEXUNLOTPELNZ-QABMSTFYSA-N 2 1 575.556 4.679 1 0 KJAFMP O=C(Nc1ccccc1-c1ccccc1)OC1CC[NH+](CCC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000066074588 562709833 /nfs/dbraw/zinc/70/98/33/562709833.db2.gz SMJZXEGGFGRWAA-LJAQVGFWSA-N 2 1 556.663 4.627 1 0 KJAFMP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@H+](C(C)C)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116871 562723238 /nfs/dbraw/zinc/72/32/38/562723238.db2.gz FAZCSGKZKWJHTF-UHFFFAOYSA-N 3 1 567.823 4.708 1 0 KJAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2C[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CC[N@H+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000072173284 562730892 /nfs/dbraw/zinc/73/08/92/562730892.db2.gz IWNZQRZTZRLAFI-AYMQSLGUSA-N 2 1 702.896 4.842 1 0 KJAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2C[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CC[N@@H+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000072173284 562730891 /nfs/dbraw/zinc/73/08/91/562730891.db2.gz IWNZQRZTZRLAFI-AYMQSLGUSA-N 2 1 702.896 4.842 1 0 KJAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@H+]2C[C@]4(C[C@@H]5C[C@]67CCO[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 ZINC000072173284 562730890 /nfs/dbraw/zinc/73/08/90/562730890.db2.gz IWNZQRZTZRLAFI-AYMQSLGUSA-N 2 1 702.896 4.842 1 0 KJAFMP C[NH+](C)CCCc1ccc(-c2n[nH]c3ccc(NC(=O)[C@@H](c4ccsc4)[NH+]4CCCC4)cc32)cc1S(C)(=O)=O ZINC000072317675 562733200 /nfs/dbraw/zinc/73/32/00/562733200.db2.gz ZAWHKDIJGLEXIH-MUUNZHRXSA-N 2 1 565.765 4.965 1 0 KJAFMP C[NH+](C)CCCc1ccc(-c2n[nH]c3ccc(NC(=O)[C@H](c4ccsc4)[NH+]4CCCC4)cc32)cc1S(C)(=O)=O ZINC000072317676 562733207 /nfs/dbraw/zinc/73/32/07/562733207.db2.gz ZAWHKDIJGLEXIH-NDEPHWFRSA-N 2 1 565.765 4.965 1 0 KJAFMP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1cccc(C[NH+]3CCC(c4ccccc4)CC3)c1)ccc2O ZINC000073197340 562735312 /nfs/dbraw/zinc/73/53/12/562735312.db2.gz QLAUZPPGGRVYJJ-SANMLTNESA-N 2 1 503.668 4.541 1 0 KJAFMP O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(C[N@H+]3CC[C@@H](Oc4ccc(Cl)cc4)C3)cc1)ccc2O ZINC000073197773 562735509 /nfs/dbraw/zinc/73/55/09/562735509.db2.gz YGFPXLTUYOSIJW-XMMPIXPASA-N 2 1 524.086 4.977 1 0 KJAFMP O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(C[N@@H+]3CC[C@@H](Oc4ccc(Cl)cc4)C3)cc1)ccc2O ZINC000073197773 562735508 /nfs/dbraw/zinc/73/55/08/562735508.db2.gz YGFPXLTUYOSIJW-XMMPIXPASA-N 2 1 524.086 4.977 1 0 KJAFMP CN1CC[NH+](CCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073200200 562736116 /nfs/dbraw/zinc/73/61/16/562736116.db2.gz YPHHCBORUIYXQN-GJTYJFQVSA-N 2 1 501.715 4.752 1 0 KJAFMP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1ccc(C[NH2+]CCc3c(Cl)cccc3Cl)cc1)ccc2O ZINC000082151650 562739977 /nfs/dbraw/zinc/73/99/77/562739977.db2.gz GVRKTUGZYSOYMQ-QHCPKHFHSA-N 2 1 532.493 4.800 1 0 KJAFMP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1cccc(C[NH2+]CCc3c(Cl)cccc3Cl)c1)ccc2O ZINC000082155695 562740584 /nfs/dbraw/zinc/74/05/84/562740584.db2.gz MCZWBSFGGNTCLH-QHCPKHFHSA-N 2 1 532.493 4.800 1 0 KJAFMP Brc1cnc2[nH]c(-c3ccc(OCC[NH+]4CCCCC4)cc3)nc2c1NCC1CC[NH2+]CC1 ZINC000084597044 562743911 /nfs/dbraw/zinc/74/39/11/562743911.db2.gz BRHAIUXYHUZNFP-UHFFFAOYSA-N 2 1 513.484 4.664 1 0 KJAFMP C[NH+](C)CCCNc1c2nc(-c3ccc(OCC[NH+]4CCCCC4)cc3)[nH]c2ncc1Br ZINC000084616425 562744611 /nfs/dbraw/zinc/74/46/11/562744611.db2.gz WMTSXEYIPRFKBI-UHFFFAOYSA-N 2 1 501.473 4.616 1 0 KJAFMP COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@@H]4[NH2+][C@H](C)CC[C@@H]4Cc4cc[nH+]c(N)c4)c3)O2)ccc1O ZINC000085596610 291869639 /nfs/dbraw/zinc/86/96/39/291869639.db2.gz IITVZLJJWPWDMB-NSGIBPDDSA-N 2 1 607.748 4.684 1 0 biogenic,in-vitro KJAFMP CC[C@H]1CC[C@@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3ccc[nH]3)c3cc[nH+]c(N)c3)c2)C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC000085631966 565165904 /nfs/dbraw/zinc/16/59/04/565165904.db2.gz ZSFMVWUZBAKKHL-GNRSTFEPSA-N 2 1 621.843 4.879 1 0 biogenic,in-vitro KJAFMP CCCC[C@H](CC[C@H](O)C[C@H](O)CCc1ccc(O)c(OCC[C@H](Cc2ccc[nH]2)c2cc[nH+]c(N)c2)c1)[NH2+]C[C@H](C)O ZINC000085632054 560067609 /nfs/dbraw/zinc/06/76/09/560067609.db2.gz XFKXDZGBJMHTPX-MJEKCGCGSA-N 2 1 595.805 4.633 1 0 biogenic,in-vitro KJAFMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)CNC(C)=O)C2 ZINC000095539753 562755253 /nfs/dbraw/zinc/75/52/53/562755253.db2.gz MYPWNZJNRVBSTA-WIKZPUGXSA-N 2 1 806.017 4.759 1 0 KJAFMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)CNC(C)=O)C2 ZINC000095539753 562755252 /nfs/dbraw/zinc/75/52/52/562755252.db2.gz MYPWNZJNRVBSTA-WIKZPUGXSA-N 2 1 806.017 4.759 1 0 KJAFMP CCC1=C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(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)CNC(C)=O)C2 ZINC000095539753 562755251 /nfs/dbraw/zinc/75/52/51/562755251.db2.gz MYPWNZJNRVBSTA-WIKZPUGXSA-N 2 1 806.017 4.759 1 0 KJAFMP CCC1=C[C@@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)CNC(C)=O)C2 ZINC000095559776 562762845 /nfs/dbraw/zinc/76/28/45/562762845.db2.gz FLHQOEVPAYRPSY-BJQMPEKASA-N 2 1 791.990 4.717 1 0 KJAFMP CCC1=C[C@@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(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)CNC(C)=O)C2 ZINC000095559776 562762844 /nfs/dbraw/zinc/76/28/44/562762844.db2.gz FLHQOEVPAYRPSY-BJQMPEKASA-N 2 1 791.990 4.717 1 0 KJAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCNCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095574608 562769997 /nfs/dbraw/zinc/76/99/97/562769997.db2.gz MJOASWYRHSZQRG-AIMWIADMSA-N 2 1 549.800 4.929 1 0 KJAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cccc(F)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095575808 562770413 /nfs/dbraw/zinc/77/04/13/562770413.db2.gz PMPBXBUAFBJPPJ-AGJHSZMPSA-N 2 1 810.964 4.935 1 0 KJAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cccc(F)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095575808 562770412 /nfs/dbraw/zinc/77/04/12/562770412.db2.gz PMPBXBUAFBJPPJ-AGJHSZMPSA-N 2 1 810.964 4.935 1 0 KJAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cccc(F)c3[nH]c1[C@@](C(=O)OC)(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 ZINC000095575808 562770411 /nfs/dbraw/zinc/77/04/11/562770411.db2.gz PMPBXBUAFBJPPJ-AGJHSZMPSA-N 2 1 810.964 4.935 1 0 KJAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(F)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095575817 562770482 /nfs/dbraw/zinc/77/04/82/562770482.db2.gz IENQGDZVEMPBEM-AGJHSZMPSA-N 2 1 810.964 4.935 1 0 KJAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(F)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095575817 562770481 /nfs/dbraw/zinc/77/04/81/562770481.db2.gz IENQGDZVEMPBEM-AGJHSZMPSA-N 2 1 810.964 4.935 1 0 KJAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cc(F)ccc3[nH]c1[C@@](C(=O)OC)(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 ZINC000095575817 562770480 /nfs/dbraw/zinc/77/04/80/562770480.db2.gz IENQGDZVEMPBEM-AGJHSZMPSA-N 2 1 810.964 4.935 1 0 KJAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCOCCOCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095578756 562771373 /nfs/dbraw/zinc/77/13/73/562771373.db2.gz NWTKQFTXRMPAJC-AIMWIADMSA-N 2 1 566.783 4.592 1 0 KJAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCOCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095579354 562771518 /nfs/dbraw/zinc/77/15/18/562771518.db2.gz YBWGNQBCHVCNFS-BWELLIPCSA-N 2 1 522.730 4.576 1 0 KJAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(O)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095579874 562771731 /nfs/dbraw/zinc/77/17/31/562771731.db2.gz HMWKIBTUCVHUOZ-AGJHSZMPSA-N 2 1 808.973 4.502 1 0 KJAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(O)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095579874 562771730 /nfs/dbraw/zinc/77/17/30/562771730.db2.gz HMWKIBTUCVHUOZ-AGJHSZMPSA-N 2 1 808.973 4.502 1 0 KJAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cc(O)ccc3[nH]c1[C@@](C(=O)OC)(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 ZINC000095579874 562771729 /nfs/dbraw/zinc/77/17/29/562771729.db2.gz HMWKIBTUCVHUOZ-AGJHSZMPSA-N 2 1 808.973 4.502 1 0 KJAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095593155 562776162 /nfs/dbraw/zinc/77/61/62/562776162.db2.gz VRCVDFALKJXNOX-JKVZWNDSSA-N 2 1 780.963 4.630 1 0 KJAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095593155 562776161 /nfs/dbraw/zinc/77/61/61/562776161.db2.gz VRCVDFALKJXNOX-JKVZWNDSSA-N 2 1 780.963 4.630 1 0 KJAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095593155 562776160 /nfs/dbraw/zinc/77/61/60/562776160.db2.gz VRCVDFALKJXNOX-JKVZWNDSSA-N 2 1 780.963 4.630 1 0 KJAFMP CC[C@]12C=CC[N@@H+]3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000095593285 562776175 /nfs/dbraw/zinc/77/61/75/562776175.db2.gz DSISYKFNZBAGNU-ASWARYRYSA-N 2 1 766.980 4.839 1 0 KJAFMP CC[C@]12C=CC[N@H+]3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000095593285 562776174 /nfs/dbraw/zinc/77/61/74/562776174.db2.gz DSISYKFNZBAGNU-ASWARYRYSA-N 2 1 766.980 4.839 1 0 KJAFMP CC[C@]12C=CC[NH+]3CCC[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 ZINC000095593285 562776173 /nfs/dbraw/zinc/77/61/73/562776173.db2.gz DSISYKFNZBAGNU-ASWARYRYSA-N 2 1 766.980 4.839 1 0 KJAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1ccccc1Cl)CCc1cc2c(cc1-3)OCO2 ZINC000095593604 562776275 /nfs/dbraw/zinc/77/62/75/562776275.db2.gz QTUJDNKWRSWFKO-UHFFFAOYSA-N 2 1 585.084 4.914 1 0 KJAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1ccccc1Cl)CCc1cc2c(cc1-3)OCO2 ZINC000095593604 562776274 /nfs/dbraw/zinc/77/62/74/562776274.db2.gz QTUJDNKWRSWFKO-UHFFFAOYSA-N 2 1 585.084 4.914 1 0 KJAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1cccc(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000095593681 562776324 /nfs/dbraw/zinc/77/63/24/562776324.db2.gz ZXOGUYQKBDLXRB-UHFFFAOYSA-N 2 1 585.084 4.914 1 0 KJAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000095593759 562776307 /nfs/dbraw/zinc/77/63/07/562776307.db2.gz XHYFMKBYXFRSLK-UHFFFAOYSA-N 2 1 586.619 4.539 1 0 KJAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000095593759 562776306 /nfs/dbraw/zinc/77/63/06/562776306.db2.gz XHYFMKBYXFRSLK-UHFFFAOYSA-N 2 1 586.619 4.539 1 0 KJAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1ccc(Cl)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000095593948 562776367 /nfs/dbraw/zinc/77/63/67/562776367.db2.gz UIWCKVOPCPBOKV-UHFFFAOYSA-N 2 1 585.084 4.914 1 0 KJAFMP CC[C@]1(O)C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CCC[C@@](CC)(C[C@]1(O)C(=O)OC)[C@H]34)C2 ZINC000095594958 562776582 /nfs/dbraw/zinc/77/65/82/562776582.db2.gz RQKNVXDUXUNJOZ-UDMDOTTKSA-N 2 1 754.969 4.673 1 0 KJAFMP CC[C@]12C=CC[N@@H+]3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000095595549 562776731 /nfs/dbraw/zinc/77/67/31/562776731.db2.gz DSISYKFNZBAGNU-JVHYHWFUSA-N 2 1 766.980 4.839 1 0 KJAFMP CC[C@]12C=CC[N@H+]3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000095595549 562776730 /nfs/dbraw/zinc/77/67/30/562776730.db2.gz DSISYKFNZBAGNU-JVHYHWFUSA-N 2 1 766.980 4.839 1 0 KJAFMP CC[C@]12C=CC[NH+]3CCC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@H]32 ZINC000095595549 562776729 /nfs/dbraw/zinc/77/67/29/562776729.db2.gz DSISYKFNZBAGNU-JVHYHWFUSA-N 2 1 766.980 4.839 1 0 KJAFMP CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C(=O)NCc1ccccc1 ZINC000095612336 562785394 /nfs/dbraw/zinc/78/53/94/562785394.db2.gz RWVVRACXMDSPQB-HPVVNECPSA-N 2 1 779.979 4.602 1 0 KJAFMP O=C(NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095612557 562785605 /nfs/dbraw/zinc/78/56/05/562785605.db2.gz OIXDQFQFMZDLEJ-XAMDOCMDSA-N 2 1 718.943 4.584 1 0 KJAFMP O=C(NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095612557 562785604 /nfs/dbraw/zinc/78/56/04/562785604.db2.gz OIXDQFQFMZDLEJ-XAMDOCMDSA-N 2 1 718.943 4.584 1 0 KJAFMP O=C(NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095612557 562785603 /nfs/dbraw/zinc/78/56/03/562785603.db2.gz OIXDQFQFMZDLEJ-XAMDOCMDSA-N 2 1 718.943 4.584 1 0 KJAFMP O=C(NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095612557 562785602 /nfs/dbraw/zinc/78/56/02/562785602.db2.gz OIXDQFQFMZDLEJ-XAMDOCMDSA-N 2 1 718.943 4.584 1 0 KJAFMP O=C(NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[NH+]3C[C@@H]2CC[C@@H]1O ZINC000095612558 562785631 /nfs/dbraw/zinc/78/56/31/562785631.db2.gz OIXDQFQFMZDLEJ-WNRCIUKGSA-N 2 1 718.943 4.584 1 0 KJAFMP O=C(NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[NH+]3C[C@@H]2CC[C@@H]1O ZINC000095612558 562785630 /nfs/dbraw/zinc/78/56/30/562785630.db2.gz OIXDQFQFMZDLEJ-WNRCIUKGSA-N 2 1 718.943 4.584 1 0 KJAFMP O=C(NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1O ZINC000095612558 562785629 /nfs/dbraw/zinc/78/56/29/562785629.db2.gz OIXDQFQFMZDLEJ-WNRCIUKGSA-N 2 1 718.943 4.584 1 0 KJAFMP O=C(NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@H]21)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2CC[C@@H]1O ZINC000095612558 562785628 /nfs/dbraw/zinc/78/56/28/562785628.db2.gz OIXDQFQFMZDLEJ-WNRCIUKGSA-N 2 1 718.943 4.584 1 0 KJAFMP CC[C@]12CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[N@H+]([C@H]3c5cc6c(cc5O[C@H]3[C@@H]1O)NC1=C(C(=O)OC)C[C@@]3(CC)C=CC[NH+]5CC[C@]61[C@H]53)[C@@H]42 ZINC000095615238 562787184 /nfs/dbraw/zinc/78/71/84/562787184.db2.gz XVLKCTCGGIJHCK-GXLFRJOSSA-N 2 1 778.903 4.786 1 0 KJAFMP CC[C@]12CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[N@@H+]([C@H]3c5cc6c(cc5O[C@H]3[C@@H]1O)NC1=C(C(=O)OC)C[C@@]3(CC)C=CC[NH+]5CC[C@]61[C@H]53)[C@@H]42 ZINC000095615238 562787183 /nfs/dbraw/zinc/78/71/83/562787183.db2.gz XVLKCTCGGIJHCK-GXLFRJOSSA-N 2 1 778.903 4.786 1 0 KJAFMP CC[C@]12CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[NH+]([C@H]3c5cc6c(cc5O[C@H]3[C@@H]1O)NC1=C(C(=O)OC)C[C@@]3(CC)C=CC[N@@H+]5CC[C@]61[C@H]53)[C@@H]42 ZINC000095615238 562787182 /nfs/dbraw/zinc/78/71/82/562787182.db2.gz XVLKCTCGGIJHCK-GXLFRJOSSA-N 2 1 778.903 4.786 1 0 KJAFMP CC[C@@H]1C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095615901 562787645 /nfs/dbraw/zinc/78/76/45/562787645.db2.gz AGKYIOIIEPFTEV-VSBPWMKXSA-N 2 1 794.990 4.876 1 0 KJAFMP CC[C@@H]1C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095615901 562787644 /nfs/dbraw/zinc/78/76/44/562787644.db2.gz AGKYIOIIEPFTEV-VSBPWMKXSA-N 2 1 794.990 4.876 1 0 KJAFMP CC[C@@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(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 ZINC000095615901 562787643 /nfs/dbraw/zinc/78/76/43/562787643.db2.gz AGKYIOIIEPFTEV-VSBPWMKXSA-N 2 1 794.990 4.876 1 0 KJAFMP C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095849915 562789490 /nfs/dbraw/zinc/78/94/90/562789490.db2.gz SEVZIESSWVVYFW-YGIZDMHFSA-N 2 1 586.777 4.986 1 0 KJAFMP C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095852698 562789595 /nfs/dbraw/zinc/78/95/95/562789595.db2.gz SEVZIESSWVVYFW-REYAJUCUSA-N 2 1 586.777 4.986 1 0 KJAFMP C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095861906 562789677 /nfs/dbraw/zinc/78/96/77/562789677.db2.gz SEVZIESSWVVYFW-RROHFTNDSA-N 2 1 586.777 4.986 1 0 KJAFMP CN(C)CCC[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1 ZINC000096258046 562792841 /nfs/dbraw/zinc/79/28/41/562792841.db2.gz ROPXWCQJTZHRDR-UHFFFAOYSA-N 2 1 596.780 4.783 1 0 KJAFMP CC(=O)O[C@]12Cc3c4c([nH]c3[C@@H]3Oc5c6c(ccc5O)C[C@H]1[NH+](CC1CC1)CC[C@]632)[C@@H]1Oc2c3c(ccc2O)C[C@H]2[N@H+](CC5CC5)CC[C@]31[C@@]2(OC(C)=O)C4 ZINC000096900295 562796787 /nfs/dbraw/zinc/79/67/87/562796787.db2.gz BQTOPTJFSMCLPE-CTHHFRLWSA-N 2 1 745.873 4.966 1 0 KJAFMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@@H+](C[C@@H]8CCC[C@@H]87)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000096904529 562798381 /nfs/dbraw/zinc/79/83/81/562798381.db2.gz BVZJASHAPBDRHL-OWNQDPBWSA-N 2 1 807.001 4.876 1 0 KJAFMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@H+](C[C@@H]8CCC[C@@H]87)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000096904529 562798380 /nfs/dbraw/zinc/79/83/80/562798380.db2.gz BVZJASHAPBDRHL-OWNQDPBWSA-N 2 1 807.001 4.876 1 0 KJAFMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@@H]8CCC[C@@H]87)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000096904529 562798379 /nfs/dbraw/zinc/79/83/79/562798379.db2.gz BVZJASHAPBDRHL-OWNQDPBWSA-N 2 1 807.001 4.876 1 0 KJAFMP C[NH+](C)CCCNc1nc(-c2ccccc2NC(=O)c2ccc(NC(=O)CC[NH+]3CCOCC3)cc2)nc2ccccc21 ZINC000096908887 562799492 /nfs/dbraw/zinc/79/94/92/562799492.db2.gz QMARXQJQZATRPM-UHFFFAOYSA-N 2 1 581.721 4.574 1 0 KJAFMP C[NH+](C)CCCNc1nc(-c2ccccc2NC(=O)c2ccc(NC(=O)C[NH+]3CCCC3)cc2)nc2ccccc21 ZINC000096908902 562799454 /nfs/dbraw/zinc/79/94/54/562799454.db2.gz GLIPJUUPZOEUCK-UHFFFAOYSA-N 2 1 551.695 4.947 1 0 KJAFMP COc1cc2c(cc1OC)[C@H]([NH+]1CCC(n3c4ccc(Cl)cc4n(CCC[NH+](C)C)c3=O)CC1)CC2 ZINC000096933807 562803683 /nfs/dbraw/zinc/80/36/83/562803683.db2.gz PILOHDIELWEPCC-HSZRJFAPSA-N 2 1 513.082 4.750 1 0 KJAFMP COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(n3c4ccc(Cl)cc4n(CCC[NH+](C)C)c3=O)CC1)CC2 ZINC000096933808 562803720 /nfs/dbraw/zinc/80/37/20/562803720.db2.gz PILOHDIELWEPCC-QHCPKHFHSA-N 2 1 513.082 4.750 1 0 KJAFMP C[NH+]1CCN(c2cc3nc(/C=C/c4ccc(C(=O)NCCC[NH+]5CCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938699 562804577 /nfs/dbraw/zinc/80/45/77/562804577.db2.gz PAYQNFMJKPYQMJ-NTCAYCPXSA-N 2 1 594.735 4.663 1 0 KJAFMP CC[NH+](CC)CCNC(=O)c1ccc(/C=C/c2nc3cc(N4CC[NH+](C)CC4)c(F)cc3c(=O)n2-c2ccccc2)cc1 ZINC000096938701 562804574 /nfs/dbraw/zinc/80/45/74/562804574.db2.gz FADWHUCWIOOVAU-DTQAZKPQSA-N 2 1 582.724 4.519 1 0 KJAFMP C[NH+]1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)CC[NH+]5CCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938705 562804554 /nfs/dbraw/zinc/80/45/54/562804554.db2.gz AIOCEQJXBHSJDA-SDNWHVSQSA-N 2 1 580.708 4.871 1 0 KJAFMP CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CCN(C(=O)C(C)(C)C)C3)C2)c1cccc(F)c1 ZINC000101391205 562810516 /nfs/dbraw/zinc/81/05/16/562810516.db2.gz OALXFTNKIGJWPY-QUMGSSFMSA-N 2 1 523.697 4.697 1 0 KJAFMP [NH3+]CC[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696281 562811865 /nfs/dbraw/zinc/81/18/65/562811865.db2.gz XJANAPFCTQMOPO-UHFFFAOYSA-N 2 1 542.661 4.541 1 0 KJAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCC[NH+]2CCC(CNS(C)(=O)=O)CC2)c1=O ZINC000101759157 562812090 /nfs/dbraw/zinc/81/20/90/562812090.db2.gz UTTJQYGVCBXTDB-RLPLKTQASA-N 2 1 627.896 4.519 1 0 KJAFMP CC[NH2+]CC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c4cc(-c5ccc6c(c5)CC[N@H+](C)C6)ccc4oc32)cc1 ZINC000103135371 562814452 /nfs/dbraw/zinc/81/44/52/562814452.db2.gz SUZBXENFNZNMOX-UHFFFAOYSA-N 2 1 565.674 4.659 1 0 KJAFMP CC[NH2+]CC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c4ccc(-c5ccc6c(c5)CC[N@H+](C)C6)cc4oc32)cc1 ZINC000103135377 562814434 /nfs/dbraw/zinc/81/44/34/562814434.db2.gz SPNDPJKIQMYEMJ-UHFFFAOYSA-N 2 1 565.674 4.659 1 0 KJAFMP NC(=[NH2+])c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4cccnc43)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1 ZINC000103233836 562818551 /nfs/dbraw/zinc/81/85/51/562818551.db2.gz LMSWYXWIVUAQTI-UHFFFAOYSA-N 2 1 553.604 4.583 1 0 KJAFMP CCN(C(=O)c1ccc(CNc2nc(NCC[NH+](C)C)nc(N3CCc4ccccc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000140365967 562833029 /nfs/dbraw/zinc/83/30/29/562833029.db2.gz RGXRDSPPMREJGO-UHFFFAOYSA-N 2 1 564.738 4.995 1 0 KJAFMP C[C@H]1CCCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](CC5CCOCC5)CC4)C3=O)c(F)c2)C1 ZINC000140667905 562833283 /nfs/dbraw/zinc/83/32/83/562833283.db2.gz WVCRGGUDWOGUBV-OZXSUGGESA-N 2 1 512.714 4.524 1 0 KJAFMP C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](CC5CC5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140686044 562833265 /nfs/dbraw/zinc/83/32/65/562833265.db2.gz CKMDQCQDFQXMDO-REWPJTCUSA-N 2 1 504.641 4.997 1 0 KJAFMP CN1CC[NH+](CCCNC(=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 ZINC000144420513 562836219 /nfs/dbraw/zinc/83/62/19/562836219.db2.gz QBCPQASVBPBTIQ-LIGWSQQPSA-N 2 1 604.598 4.637 1 0 KJAFMP CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(NCC[NH+]4CCCC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146486256 562838620 /nfs/dbraw/zinc/83/86/20/562838620.db2.gz RDACEUVICKCWOY-RUZDIDTESA-N 2 1 533.790 4.718 1 0 KJAFMP CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(NCC[NH+]4CCCC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146486474 562838613 /nfs/dbraw/zinc/83/86/13/562838613.db2.gz RDACEUVICKCWOY-VWLOTQADSA-N 2 1 533.790 4.718 1 0 KJAFMP C[NH+]1CCN(c2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccsc5)[NH+]5CCCC5)cc43)cc2)CC1 ZINC000146726825 562838776 /nfs/dbraw/zinc/83/87/76/562838776.db2.gz SUFAWXVSCZFIGM-MHZLTWQESA-N 2 1 500.672 4.819 1 0 KJAFMP C[NH+]1CCN(c2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccsc5)[NH+]5CCCC5)cc43)cc2)CC1 ZINC000146727034 562838753 /nfs/dbraw/zinc/83/87/53/562838753.db2.gz SUFAWXVSCZFIGM-HHHXNRCGSA-N 2 1 500.672 4.819 1 0 KJAFMP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCC(OC(=O)C[NH3+])CC2)[C@H](c2cccc(Cl)c2F)[C@]12c1ccc(Cl)cc1NC2=O ZINC000146818892 562838844 /nfs/dbraw/zinc/83/88/44/562838844.db2.gz PMIPZOPYEPYDBH-OGBWVMALSA-N 2 1 619.565 4.812 1 0 KJAFMP CN1CC[NH+](CCCNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000147084596 562839106 /nfs/dbraw/zinc/83/91/06/562839106.db2.gz MEOBCNLOCHKAIY-OHMLLRHZSA-N 2 1 604.598 4.637 1 0 KJAFMP C[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7cc[n+]([O-])cc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000150371760 562843364 /nfs/dbraw/zinc/84/33/64/562843364.db2.gz BCZGXEZPALEJJW-UHFFFAOYSA-N 2 1 638.780 4.909 1 0 KJAFMP Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CC[NH+]2CCCC2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000165268549 562850007 /nfs/dbraw/zinc/85/00/07/562850007.db2.gz WLRMBDVZTCUJEG-UHFFFAOYSA-N 2 1 648.816 4.586 1 0 KJAFMP CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N6CC[NH+](CCOC)CC6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000165275819 562850016 /nfs/dbraw/zinc/85/00/16/562850016.db2.gz ZCCFGHQSRJSABP-UHFFFAOYSA-N 2 1 678.764 4.653 1 0 KJAFMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@@H+](C[C@@H]8CCC[C@@H]87)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000169298258 562852650 /nfs/dbraw/zinc/85/26/50/562852650.db2.gz BVZJASHAPBDRHL-DHXVWPRVSA-N 2 1 807.001 4.876 1 0 KJAFMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@H+](C[C@@H]8CCC[C@@H]87)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000169298258 562852649 /nfs/dbraw/zinc/85/26/49/562852649.db2.gz BVZJASHAPBDRHL-DHXVWPRVSA-N 2 1 807.001 4.876 1 0 KJAFMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@@H]8CCC[C@@H]87)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000169298258 562852648 /nfs/dbraw/zinc/85/26/48/562852648.db2.gz BVZJASHAPBDRHL-DHXVWPRVSA-N 2 1 807.001 4.876 1 0 KJAFMP Cc1cc(Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)cc3)cc2)nc(N)[nH+]1 ZINC000169339251 562860370 /nfs/dbraw/zinc/86/03/70/562860370.db2.gz LEYULABBGOPLBV-UHFFFAOYSA-O 2 1 573.637 4.692 1 0 KJAFMP COc1c(Br)cc(-c2cccc(/C=C/C(=O)NCCC[N@@H+](C)CCC[NH3+])c2)cc1Br ZINC000169346606 562861849 /nfs/dbraw/zinc/86/18/49/562861849.db2.gz XULGPXITGHLMFM-CMDGGOBGSA-N 2 1 539.312 4.687 1 0 KJAFMP CN1CC[NH+](CCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356600 562863854 /nfs/dbraw/zinc/86/38/54/562863854.db2.gz YPHHCBORUIYXQN-ZIQMFUFLSA-N 2 1 501.715 4.752 1 0 KJAFMP OC/C=C1/C[NH+]2CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CC[N@H+]6CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@H]65)N(c2ccccc2)[C@@H]13 ZINC000169358516 562863990 /nfs/dbraw/zinc/86/39/90/562863990.db2.gz VVWIDIIMLHNFOH-JDVPCOFVSA-N 2 1 586.780 4.535 1 0 KJAFMP OC/C=C1/C[NH+]2CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CC[N@@H+]6CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@H]65)N(c2ccccc2)[C@@H]13 ZINC000169358516 562863989 /nfs/dbraw/zinc/86/39/89/562863989.db2.gz VVWIDIIMLHNFOH-JDVPCOFVSA-N 2 1 586.780 4.535 1 0 KJAFMP OC/C=C1/C[N@H+]2CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CC[NH+]6CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@H]65)N(c2ccccc2)[C@@H]13 ZINC000169358516 562863988 /nfs/dbraw/zinc/86/39/88/562863988.db2.gz VVWIDIIMLHNFOH-JDVPCOFVSA-N 2 1 586.780 4.535 1 0 KJAFMP C/C=C1/C[NH+]2[C@@H](C3=C[C@@H]4[C@@H]5N(c6ccccc6[C@@]56CC[N@H+]5C/C(=C/CO)[C@@H]4C[C@H]56)C3=O)C[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000169360954 562864178 /nfs/dbraw/zinc/86/41/78/562864178.db2.gz WGKQKBZVYLWPHU-YJIPJUBSSA-N 2 1 650.823 4.628 1 0 KJAFMP C/C=C1/C[NH+]2[C@@H](C3=C[C@@H]4[C@@H]5N(c6ccccc6[C@@]56CC[N@@H+]5C/C(=C/CO)[C@@H]4C[C@H]56)C3=O)C[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000169360954 562864177 /nfs/dbraw/zinc/86/41/77/562864177.db2.gz WGKQKBZVYLWPHU-YJIPJUBSSA-N 2 1 650.823 4.628 1 0 KJAFMP C/C=C1/C[N@H+]2[C@@H](C3=C[C@@H]4[C@@H]5N(c6ccccc6[C@@]56CC[NH+]5C/C(=C/CO)[C@@H]4C[C@H]56)C3=O)C[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000169360954 562864176 /nfs/dbraw/zinc/86/41/76/562864176.db2.gz WGKQKBZVYLWPHU-YJIPJUBSSA-N 2 1 650.823 4.628 1 0 KJAFMP C[NH+]1CCN(CC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169370289 562864750 /nfs/dbraw/zinc/86/47/50/562864750.db2.gz TWPUQLSTEDVVMR-ZIQMFUFLSA-N 2 1 501.715 4.752 1 0 KJAFMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCN1c2ccccc2O[C@@H](c2cccc(C(=[NH2+])NN3CCOCC3)c2)C1=O ZINC000169372207 562864833 /nfs/dbraw/zinc/86/48/33/562864833.db2.gz BUTHBIKCCABUOZ-IRYADYCUSA-N 2 1 533.717 4.749 1 0 KJAFMP c1ccc2c(c1)nc(NCc1ccc(CNCCC[NH2+]C3CCCCC3)cc1)nc2NC1CC[NH2+]CC1 ZINC000200593012 562873363 /nfs/dbraw/zinc/87/33/63/562873363.db2.gz SHIKEDQVUTVKBS-UHFFFAOYSA-N 2 1 501.723 4.808 1 0 KJAFMP Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000253655806 562882654 /nfs/dbraw/zinc/88/26/54/562882654.db2.gz KHUSEOUYELGLMC-XEVVZDEMSA-N 2 1 539.164 4.847 1 0 KJAFMP CNc1nc(-c2ccc(CCN3CC[NH+](CCCC[NH+]4CCN(c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299826311 562883830 /nfs/dbraw/zinc/88/38/30/562883830.db2.gz GSOZEATURLGZTN-UHFFFAOYSA-N 2 1 518.775 4.614 1 0 KJAFMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)o1 ZINC000299831907 562885741 /nfs/dbraw/zinc/88/57/41/562885741.db2.gz OWCXZPQUOUQHDF-VQCLQPKNSA-N 2 1 578.662 4.642 1 0 KJAFMP O=c1ccc2ccc(OCCCN3CC[NH+](CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299864676 562894212 /nfs/dbraw/zinc/89/42/12/562894212.db2.gz RUDSZRKFTPRYSM-UHFFFAOYSA-N 2 1 512.654 4.719 1 0 KJAFMP CC1=CC(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)c(N)c2)c2cc(N)ccc2[N@H+]1C ZINC000377848947 562896532 /nfs/dbraw/zinc/89/65/32/562896532.db2.gz XQIARJRJHXEBEZ-UHFFFAOYSA-O 2 1 504.618 4.704 1 0 KJAFMP COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[N@H+](C1CC[NH2+]CC1)C2 ZINC000473129784 562900052 /nfs/dbraw/zinc/90/00/52/562900052.db2.gz INPHYWINOJFIAJ-UHFFFAOYSA-N 2 1 585.174 4.730 1 0 KJAFMP COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C[N@H+](C1CC[NH2+]CC1)CCC2 ZINC000473131269 562900133 /nfs/dbraw/zinc/90/01/33/562900133.db2.gz NPPASAYBDKHVDT-UHFFFAOYSA-N 2 1 585.174 4.730 1 0 KJAFMP COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C[N@@H+](C1CC[NH2+]CC1)CCC2 ZINC000473131269 562900132 /nfs/dbraw/zinc/90/01/32/562900132.db2.gz NPPASAYBDKHVDT-UHFFFAOYSA-N 2 1 585.174 4.730 1 0 KJAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473164963 562902846 /nfs/dbraw/zinc/90/28/46/562902846.db2.gz IIKSJECAQBIROY-NYVOZVTQSA-N 2 1 524.061 4.931 1 0 KJAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473164963 562902845 /nfs/dbraw/zinc/90/28/45/562902845.db2.gz IIKSJECAQBIROY-NYVOZVTQSA-N 2 1 524.061 4.931 1 0 KJAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473164964 562902900 /nfs/dbraw/zinc/90/29/00/562902900.db2.gz IIKSJECAQBIROY-STZQEDGTSA-N 2 1 524.061 4.931 1 0 KJAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473164964 562902899 /nfs/dbraw/zinc/90/28/99/562902899.db2.gz IIKSJECAQBIROY-STZQEDGTSA-N 2 1 524.061 4.931 1 0 KJAFMP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000473243997 562904814 /nfs/dbraw/zinc/90/48/14/562904814.db2.gz HMFYCBIPDDXTTK-ISILISOKSA-N 2 1 571.766 4.848 1 0 KJAFMP C[C@H]1C[C@H]2CCC[NH+]2[C@@H](CC(=O)C[C@@H]2[N@@H+]3CCC[C@@H]3C[C@H](C)[C@@]2(O)c2ccccc2)[C@]1(O)c1ccccc1 ZINC000653725558 562909066 /nfs/dbraw/zinc/90/90/66/562909066.db2.gz JPVGVKCBHJUCQQ-GAZPSEQRSA-N 2 1 516.726 4.857 1 0 KJAFMP C[C@@H]1C[C@@H]2CCC[NH+]2[C@H](CC(=O)C[C@H]2[N@@H+]3CCC[C@H]3C[C@@H](C)[C@]2(O)c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000653725559 562909061 /nfs/dbraw/zinc/90/90/61/562909061.db2.gz JPVGVKCBHJUCQQ-MACGHIFPSA-N 2 1 516.726 4.857 1 0 KJAFMP CC[NH+]1CCN(c2ccc3c(c2)[nH+]c(NCc2cc(C)no2)nc3Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)CC1 ZINC000653842104 562914913 /nfs/dbraw/zinc/91/49/13/562914913.db2.gz FQWFCEMZVYHRRW-UHFFFAOYSA-N 2 1 597.724 4.949 1 0 KJAFMP O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653886946 562916978 /nfs/dbraw/zinc/91/69/78/562916978.db2.gz PXPWFLNVUKPHQM-CXQACEEJSA-N 2 1 505.625 4.919 1 0 KJAFMP O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653886946 562916977 /nfs/dbraw/zinc/91/69/77/562916977.db2.gz PXPWFLNVUKPHQM-CXQACEEJSA-N 2 1 505.625 4.919 1 0 KJAFMP O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653886946 562916976 /nfs/dbraw/zinc/91/69/76/562916976.db2.gz PXPWFLNVUKPHQM-CXQACEEJSA-N 2 1 505.625 4.919 1 0 KJAFMP CC(C)Cc1nn(C)c(=O)c2c1cn(Cc1c[nH+]c(NCCCCC[NH3+])c3ccccc13)c2SCCCO ZINC000653912223 562917723 /nfs/dbraw/zinc/91/77/23/562917723.db2.gz UKBMJQCYJYSUFI-UHFFFAOYSA-N 2 1 536.746 4.545 1 0 KJAFMP CC(=O)Nc1ccc(CN(C)c2c(C)[nH+]c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cn32)cc1 ZINC000061907277 562703091 /nfs/dbraw/zinc/70/30/91/562703091.db2.gz PGHXUKXWYYWOQW-UHFFFAOYSA-N 2 1 524.669 4.632 3 0 KJAFMP CCCCN1C(=[NH2+])N([C@@H](CCC)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000064560484 562708534 /nfs/dbraw/zinc/70/85/34/562708534.db2.gz ANFIASDTFAVNAZ-RTNMLALUSA-N 3 1 557.831 4.825 3 0 KJAFMP CCCCN1C(=[NH2+])N([C@@H](CCC)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1[C@H](C)CC ZINC000066129506 562712973 /nfs/dbraw/zinc/71/29/73/562712973.db2.gz MAWZSNDGHVCEFO-QDXQZTBOSA-N 3 1 523.814 4.628 3 0 KJAFMP CCCCN1C(=[NH2+])N([C@@H](CCC)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C[C@H]1Cc1ccccc1 ZINC000066136659 562713237 /nfs/dbraw/zinc/71/32/37/562713237.db2.gz NBEOOUAVQBBNHY-QUAHOIDUSA-N 3 1 523.814 4.628 3 0 KJAFMP CCCCN1C(=[NH2+])N([C@@H](C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(C)C)C[C@H]1Cc1ccccc1 ZINC000066139217 562713395 /nfs/dbraw/zinc/71/33/95/562713395.db2.gz MFJLHOLUPATNON-IHZBLBIESA-N 3 1 557.831 4.681 3 0 KJAFMP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(=[NH2+])N1CCCC1CCCC1 ZINC000095569909 562767760 /nfs/dbraw/zinc/76/77/60/562767760.db2.gz JPKNDIAWWOYACR-GMKPQLIGSA-N 3 1 515.835 4.822 3 0 KJAFMP