smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1cccc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(C(N)=[NH2+])c2)c1 ZINC000003831892 561683528 /nfs/dbraw/zinc/68/35/28/561683528.db2.gz NVOVMNVSNWBIRX-UHFFFAOYSA-N 2 0 503.404 3.950 1 0 KHAFRP [NH3+]CCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CC[NH3+])c5c4)cc3)cc12 ZINC000003919050 561685574 /nfs/dbraw/zinc/68/55/74/561685574.db2.gz DGISRQRHSYAYQM-UHFFFAOYSA-N 2 0 540.624 3.687 1 0 KHAFRP O=C(C1CC[NH+](Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(CC[NH+]3CCCCC3)c2=O)CC1 ZINC000003928044 561686914 /nfs/dbraw/zinc/68/69/14/561686914.db2.gz XTLNKZYASKPMLL-UHFFFAOYSA-N 2 0 530.717 3.760 1 0 KHAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[NH2+]Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000003955298 561690814 /nfs/dbraw/zinc/69/08/14/561690814.db2.gz UYMDKKVILQGGBT-ZTOMLWHTSA-N 2 0 551.695 3.764 1 0 KHAFRP CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c3)cc2)cc1C(=O)NCCC(N)=[NH2+] ZINC000003965793 561691558 /nfs/dbraw/zinc/69/15/58/561691558.db2.gz IRUSFNLUILISCM-UHFFFAOYSA-N 2 0 660.824 3.998 1 0 KHAFRP Cc1cc(N(C)C)c2cc(NC(=O)c3cccc(C(=O)Nc4ccc5c(ccc[n+]5C)c4)n3)ccc2[n+]1C ZINC000003986155 561692763 /nfs/dbraw/zinc/69/27/63/561692763.db2.gz LZRNMPNPYZIQAE-UHFFFAOYSA-P 2 0 506.610 3.916 1 0 KHAFRP [NH2+]=C(NCCCCCCNC(=[NH2+])NC(=[NH2+])NC12CC3CC(CC(C3)C1)C2)NC(=[NH2+])NC12CC3CC(CC(C3)C1)C2 ZINC000004790764 561695306 /nfs/dbraw/zinc/69/53/06/561695306.db2.gz KPTQMXCRDKFJIX-UHFFFAOYSA-N 4 0 552.816 3.761 1 0 KHAFRP O=C(NCCCCCCCCNC(=O)Nc1ccc(C2=[NH+]CCN2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1 ZINC000004886969 561695500 /nfs/dbraw/zinc/69/55/00/561695500.db2.gz LTCCQKAYAGNFED-UHFFFAOYSA-N 2 0 518.666 3.670 1 0 KHAFRP CNC(=O)c1ccc(NC(=O)Nc2ccc(C3=[NH+]CCCN3)cc2)cc1NC(=O)Nc1ccc(C2=[NH+]CCCN2)cc1 ZINC000004887293 561695587 /nfs/dbraw/zinc/69/55/87/561695587.db2.gz SPORZDJLWHTICW-UHFFFAOYSA-N 2 0 567.654 3.814 1 0 KHAFRP O=C(NCCCCCCNC(=O)Nc1ccc(C2=[NH+]CCCN2)cc1)Nc1ccc(C2=[NH+]CCCN2)cc1 ZINC000004887404 561695575 /nfs/dbraw/zinc/69/55/75/561695575.db2.gz INZIMZBTITYVMY-UHFFFAOYSA-N 2 0 518.666 3.670 1 0 KHAFRP Nc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439476 561712364 /nfs/dbraw/zinc/71/23/64/561712364.db2.gz BBZYLZUPRQGZEQ-HHHXNRCGSA-N 2 0 506.716 3.950 1 0 KHAFRP Nc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439480 561712311 /nfs/dbraw/zinc/71/23/11/561712311.db2.gz BBZYLZUPRQGZEQ-MHZLTWQESA-N 2 0 506.716 3.950 1 0 KHAFRP COc1ccc2c(c1)[C@](O)(C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439707 561712340 /nfs/dbraw/zinc/71/23/40/561712340.db2.gz HROMPGSHGXAFBQ-SSEXGKCCSA-N 2 0 537.726 3.652 1 0 in-vivo KHAFRP COc1ccc2c(c1)[C@@](O)(C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439708 561712398 /nfs/dbraw/zinc/71/23/98/561712398.db2.gz HROMPGSHGXAFBQ-PMERELPUSA-N 2 0 537.726 3.652 1 0 in-vivo KHAFRP c1cc(CN2CCC[NH2+]CCCCC[NH2+]CCC2)ccc1CN1CCC[NH2+]CCCCC[NH2+]CCC1 ZINC000013557494 561718940 /nfs/dbraw/zinc/71/89/40/561718940.db2.gz WFBRGJZVOPIYRZ-UHFFFAOYSA-N 4 0 500.820 3.577 1 0 KHAFRP CCOC(=O)[C@@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(=[NH2+])CC)CC2)cc1 ZINC000013782207 561729650 /nfs/dbraw/zinc/72/96/50/561729650.db2.gz ZYGUBTLYWPNVMP-SANMLTNESA-N 2 0 507.635 3.852 1 0 KHAFRP C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 ZINC000013802589 561730789 /nfs/dbraw/zinc/73/07/89/561730789.db2.gz SRXFVJJCPAFDBE-UHFFFAOYSA-N 2 0 520.703 3.929 1 0 KHAFRP C[NH2+][C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C(c1ccccc1)c1ccccc1 ZINC000014954461 561746986 /nfs/dbraw/zinc/74/69/86/561746986.db2.gz CWBJELZFIFDKMX-QXTIUPHPSA-N 2 0 625.799 3.638 1 0 KHAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nc2ccccc2s1)C1CCC(C[NH3+])CC1 ZINC000014954574 581095688 /nfs/dbraw/zinc/09/56/88/581095688.db2.gz FIYUUYNASDJLKW-QQMQZRDQSA-N 2 0 561.752 3.551 1 0 KHAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)c1nc2ccccc2s1)C1CCC(C[NH3+])CC1 ZINC000014954578 561747135 /nfs/dbraw/zinc/74/71/35/561747135.db2.gz FIYUUYNASDJLKW-XXCQUUDUSA-N 2 0 561.752 3.551 1 0 KHAFRP COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCC[NH+]2CCCCC2)C(C)C)ccc1OC ZINC000014967549 561750056 /nfs/dbraw/zinc/75/00/56/561750056.db2.gz AHYFSBZVNOGKCY-BDGPUAICSA-N 2 0 535.770 3.632 1 0 KHAFRP COc1ccc2cc(C[NH2+]CCc3cccc(Cl)c3)c(N3CCC(=O)N(CC[NH+](C)C)CC3)nc2c1 ZINC000015004403 561752874 /nfs/dbraw/zinc/75/28/74/561752874.db2.gz UKRRDTYYJWPXSP-UHFFFAOYSA-N 2 0 510.082 3.829 1 0 KHAFRP C[NH+](C)CCNC(=O)Nc1nc2nc(NCCCN3CC[NH+](C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000023357760 561761550 /nfs/dbraw/zinc/76/15/50/561761550.db2.gz APRGRQRTOONPMH-UHFFFAOYSA-N 2 0 560.534 3.731 1 0 KHAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)C3CCN(C(N)=[NH2+])CC3)CC2)c(C(C)C)c1 ZINC000024810248 561762473 /nfs/dbraw/zinc/76/24/73/561762473.db2.gz KSEVHDWJTMMENT-HKBQPEDESA-N 2 0 694.947 3.507 1 0 in-vitro KHAFRP CCC[NH+]1CCN(c2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3nc2N2CC[NH+](CCC)CC2)CC1 ZINC000026168753 561769546 /nfs/dbraw/zinc/76/95/46/561769546.db2.gz NOMBZDJACXQBJG-UHFFFAOYSA-N 2 0 551.761 3.803 1 0 KHAFRP CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@@H]2CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000026181587 561771787 /nfs/dbraw/zinc/77/17/87/561771787.db2.gz WHGAMQAJTBAWBP-LJAQVGFWSA-N 2 0 706.294 3.896 1 0 KHAFRP CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@H]2CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000026181592 561771777 /nfs/dbraw/zinc/77/17/77/561771777.db2.gz WHGAMQAJTBAWBP-GDLZYMKVSA-N 2 0 706.294 3.896 1 0 KHAFRP O=C1c2cccc3nc(Cl)cc(c32)C(=O)N1CC[NH2+]CCCC[NH2+]CCN1C(=O)c2cccc3nc(Cl)cc(c32)C1=O ZINC000026379458 561783097 /nfs/dbraw/zinc/78/30/97/561783097.db2.gz XAPSDQONRKOJGY-UHFFFAOYSA-N 2 0 605.482 3.941 1 0 KHAFRP CCOC(CNC(=[NH2+])Nc1ccc(Cc2ccc(NC(=[NH2+])NCC(OCC)OCC)cc2)cc1)OCC ZINC000026391413 561785788 /nfs/dbraw/zinc/78/57/88/561785788.db2.gz YQUZVFNVNWKCTR-UHFFFAOYSA-N 2 0 514.671 3.948 1 0 KHAFRP O=C(CCc1c[nH]c2ccccc12)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc1c[nH]c2ccccc12 ZINC000026401621 561788443 /nfs/dbraw/zinc/78/84/43/561788443.db2.gz ZPQHIRCTETUUJT-UHFFFAOYSA-N 2 0 530.717 3.797 1 0 KHAFRP [NH3+]Cc1ccc(CNC(=O)[C@@H](C[NH3+])n2cccc2CNC(=O)[C@H](c2ccccc2)C2CCCCC2)cc1 ZINC000026492101 561793564 /nfs/dbraw/zinc/79/35/64/561793564.db2.gz SMXMTUKYUIRBIV-VSGBNLITSA-N 2 0 501.675 3.743 1 0 KHAFRP [NH3+]Cc1ccc(CNC(=O)[C@@H](C[NH3+])n2cccc2CNC(=O)[C@@H](c2ccccc2)C2CCCCC2)cc1 ZINC000026492106 561793594 /nfs/dbraw/zinc/79/35/94/561793594.db2.gz SMXMTUKYUIRBIV-IZLXSDGUSA-N 2 0 501.675 3.743 1 0 KHAFRP CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H]([NH2+]Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000026569161 561797663 /nfs/dbraw/zinc/79/76/63/561797663.db2.gz WSSLYXDIOXIGHB-UYFSSDKWSA-N 2 0 749.957 3.890 1 0 KHAFRP CC[C@@H](C)C[NH2+][C@@H]1CCC(=O)N([C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCC(C)C)C(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000026569448 561797776 /nfs/dbraw/zinc/79/77/76/561797776.db2.gz HIUKVVJXHAWULP-SGJBUNNMSA-N 2 0 729.967 3.736 1 0 KHAFRP CC[C@H](C)C[NH2+][C@@H]1CCC(=O)N([C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCC(C)C)C(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000026569453 561797780 /nfs/dbraw/zinc/79/77/80/561797780.db2.gz HIUKVVJXHAWULP-RWWPVRBFSA-N 2 0 729.967 3.736 1 0 KHAFRP CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H]([NH2+]CC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000026575202 561799137 /nfs/dbraw/zinc/79/91/37/561799137.db2.gz HFBVVHIYZPADFA-AXXKPAGNSA-N 2 0 729.967 3.736 1 0 KHAFRP C[NH+](C)CCOCCn1cc(C2=C(c3c[nH]c4ccccc43)C(=O)N(CC[NH+](C)C)C2=O)c2ccccc21 ZINC000026645645 561807435 /nfs/dbraw/zinc/80/74/35/561807435.db2.gz JVQCZDRHUFJIKV-UHFFFAOYSA-N 2 0 513.642 3.542 1 0 KHAFRP CC[NH+]1CCOCC[N@H+](CC)CCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC1)C(=O)NC2=O ZINC000026819654 561820833 /nfs/dbraw/zinc/82/08/33/561820833.db2.gz QTVNFRLKAGKBPS-UHFFFAOYSA-N 2 0 583.733 3.854 1 0 KHAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CC[NH2+]CC2)c(C(C)C)c1 ZINC000026849500 561827042 /nfs/dbraw/zinc/82/70/42/561827042.db2.gz KFBQPRUUOPSVGX-SANMLTNESA-N 2 0 541.762 3.662 1 0 KHAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CC[NH2+]CC2)c(C(C)C)c1 ZINC000026849507 561827015 /nfs/dbraw/zinc/82/70/15/561827015.db2.gz KFBQPRUUOPSVGX-AREMUKBSSA-N 2 0 541.762 3.662 1 0 KHAFRP NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)CCCCCCCC(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1 ZINC000026982058 561831508 /nfs/dbraw/zinc/83/15/08/561831508.db2.gz YQZZYTVUJVKJSN-UHFFFAOYSA-N 2 0 696.809 3.747 1 0 KHAFRP C[NH2+][C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027104975 561839716 /nfs/dbraw/zinc/83/97/16/561839716.db2.gz IWXDXQSRKMEUGG-CKIYRECASA-N 2 0 661.847 3.507 1 0 KHAFRP C[NH2+][C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027104977 561839753 /nfs/dbraw/zinc/83/97/53/561839753.db2.gz IWXDXQSRKMEUGG-CJFIHWLOSA-N 2 0 661.847 3.507 1 0 KHAFRP C[C@@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCCCCC[NH3+])C(=O)Nc1ccccc1 ZINC000027435460 561859987 /nfs/dbraw/zinc/85/99/87/561859987.db2.gz SQLYTESBAWLCTR-NPAAKHOSSA-N 2 0 523.722 3.654 1 0 KHAFRP C[C@@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@H](CCCCCCCCC[NH3+])C(=O)Nc1ccccc1 ZINC000027435464 561859969 /nfs/dbraw/zinc/85/99/69/561859969.db2.gz SQLYTESBAWLCTR-MVNQZMKCSA-N 2 0 523.722 3.654 1 0 KHAFRP [NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CC[NH3+])c6c5)CC4)CC3)cc12 ZINC000027551612 561868081 /nfs/dbraw/zinc/86/80/81/561868081.db2.gz SQMSKBYHTUAWDC-UHFFFAOYSA-N 2 0 600.764 3.587 1 0 KHAFRP Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@@H]5O4 ZINC000027634756 561874322 /nfs/dbraw/zinc/87/43/22/561874322.db2.gz APSUXPSYBJVPPS-ZPNJUIDCSA-N 2 0 661.799 3.824 1 0 KHAFRP CCOC(=O)CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)c1ccc(OC2CCN(C(C)=[NH2+])CC2)cc1 ZINC000027636851 561874673 /nfs/dbraw/zinc/87/46/73/561874673.db2.gz CSHXIHWIECFVRC-UHFFFAOYSA-N 2 0 565.696 3.864 1 0 KHAFRP CCOC(=O)CS(=O)(=O)N(Cc1cc2cc(C(N)=[NH2+])ccc2s1)c1ccc(OC2CCN(C(C)=[NH2+])CC2)cc1 ZINC000027645348 561875797 /nfs/dbraw/zinc/87/57/97/561875797.db2.gz FAISDMZUGCBUBT-UHFFFAOYSA-N 2 0 571.725 3.925 1 0 KHAFRP CS(=O)(=O)c1ccc(CNCCC[NH2+]CCCCCCCC[NH2+]CCCNCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000027650799 561876611 /nfs/dbraw/zinc/87/66/11/561876611.db2.gz OIMMCJTVIZVXQI-UHFFFAOYSA-N 4 0 594.888 3.673 1 0 KHAFRP Cc1nc2cc3c4c(cccc4C(=O)N(CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656917 561877809 /nfs/dbraw/zinc/87/78/09/561877809.db2.gz HLBVHOTXKLBBTC-UHFFFAOYSA-N 2 0 628.693 3.824 1 0 KHAFRP CC(C)CCn1cc(NC(=O)C2CCC(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c3)CC2)cc1C(=O)NCCC(N)=[NH2+] ZINC000027883168 561889281 /nfs/dbraw/zinc/88/92/81/561889281.db2.gz RZVJNDQFMFQQQB-UHFFFAOYSA-N 2 0 666.872 3.877 1 0 KHAFRP COc1ccc2c(c1)C[C@](O)(C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027885642 561889453 /nfs/dbraw/zinc/88/94/53/561889453.db2.gz UDIDCXYKCBMZLO-HKBQPEDESA-N 2 0 551.753 3.738 1 0 KHAFRP COc1ccc2c(c1)C[C@@](O)(C[NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027885650 561889400 /nfs/dbraw/zinc/88/94/00/561889400.db2.gz UDIDCXYKCBMZLO-WJOKGBTCSA-N 2 0 551.753 3.738 1 0 KHAFRP CC(C)CCn1cc(NC(=O)CCCCC(=O)Nc2cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c2)cc1C(=O)NCCC(N)=[NH2+] ZINC000027894840 561890191 /nfs/dbraw/zinc/89/01/91/561890191.db2.gz ZQYWXWMGDBSRRW-UHFFFAOYSA-N 2 0 640.834 3.631 1 0 KHAFRP Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]51[C@@]4(O)C3)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[NH+]3CC1CC1)[C@H]2O5 ZINC000027899504 561890794 /nfs/dbraw/zinc/89/07/94/561890794.db2.gz DKIVQMBUHVYDFC-IWRYZOJTSA-N 2 0 675.826 3.835 1 0 KHAFRP CC(C)CCn1cc(NC(=O)C2=CC=C(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c3)CC2)cc1C(=O)NCCC(N)=[NH2+] ZINC000027901700 561891075 /nfs/dbraw/zinc/89/10/75/561891075.db2.gz ITBGRHABABCKSZ-UHFFFAOYSA-N 2 0 662.840 3.717 1 0 KHAFRP O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000027985244 561892190 /nfs/dbraw/zinc/89/21/90/561892190.db2.gz YDFCMPPZBBZSDW-UHFFFAOYSA-N 2 0 574.681 3.810 1 0 KHAFRP CC(=[NH2+])N1CCC(N(CC(N)=O)c2ccc3c(c2)[nH+]c(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028005872 561895508 /nfs/dbraw/zinc/89/55/08/561895508.db2.gz KKCZSJRNVYGHPX-UHFFFAOYSA-N 3 0 510.646 3.584 1 0 KHAFRP CC(=[NH2+])N1CCC(Oc2ccc3c(c2)nc(CCC(N)=O)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028016871 561897546 /nfs/dbraw/zinc/89/75/46/561897546.db2.gz SYCHLRLBTIFAQR-UHFFFAOYSA-N 2 0 511.630 3.780 1 0 KHAFRP CC(=[NH2+])N1CCC(N(CC(N)=O)c2ccc3nc(C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028017016 561897542 /nfs/dbraw/zinc/89/75/42/561897542.db2.gz QYQMIYAPIMHSEV-UHFFFAOYSA-N 2 0 510.646 3.584 1 0 KHAFRP CC(=[NH2+])N1CCC(Oc2ccc3nc(CCC(N)=O)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028094465 561900472 /nfs/dbraw/zinc/90/04/72/561900472.db2.gz CHVNHRFASUIVAZ-UHFFFAOYSA-N 2 0 511.630 3.780 1 0 KHAFRP CCCCOC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(N)=[NH2+])c1 ZINC000028222697 561907560 /nfs/dbraw/zinc/90/75/60/561907560.db2.gz GGSVKXFKOZNQGL-IZZNHLLZSA-N 2 0 534.682 3.844 1 0 KHAFRP C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000028337513 561913617 /nfs/dbraw/zinc/91/36/17/561913617.db2.gz IKHVFEMXTMVXNG-YVEBFHIHSA-N 2 0 617.238 3.689 1 0 KHAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@]2([NH3+])CCc3ccccc32)CC1 ZINC000028346124 561914903 /nfs/dbraw/zinc/91/49/03/561914903.db2.gz QTUAHMLSKYOMMA-VQYMFVQZSA-N 2 0 629.249 3.919 1 0 KHAFRP C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@]2([NH3+])CCc3ccccc32)CC1 ZINC000028346139 561914923 /nfs/dbraw/zinc/91/49/23/561914923.db2.gz QTUAHMLSKYOMMA-RXLFUMQBSA-N 2 0 629.249 3.919 1 0 KHAFRP C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000028346147 561914933 /nfs/dbraw/zinc/91/49/33/561914933.db2.gz DHZMSCBRESVQNW-YOZPONIGSA-N 2 0 629.249 3.615 1 0 KHAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000028346154 561914930 /nfs/dbraw/zinc/91/49/30/561914930.db2.gz DHZMSCBRESVQNW-YAFDPGIASA-N 2 0 629.249 3.615 1 0 KHAFRP C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000028346166 561914918 /nfs/dbraw/zinc/91/49/18/561914918.db2.gz DHZMSCBRESVQNW-DQJYIKHQSA-N 2 0 629.249 3.615 1 0 KHAFRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(C(=O)N2CCOCC2)c1 ZINC000028368083 561917968 /nfs/dbraw/zinc/91/79/68/561917968.db2.gz PLNUQKMNKLMFEW-UHFFFAOYSA-N 2 0 706.954 3.803 1 0 KHAFRP C[N@H+](CCc1cccs1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028371724 561918443 /nfs/dbraw/zinc/91/84/43/561918443.db2.gz JGFFBXAJCQEXOU-HHHXNRCGSA-N 2 0 568.187 3.801 1 0 KHAFRP [NH3+]CCC(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028371797 561918470 /nfs/dbraw/zinc/91/84/70/561918470.db2.gz BCNORGDAYVOPGM-MHZLTWQESA-N 2 0 555.144 3.886 1 0 KHAFRP [NH3+]CCC(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028371802 561918501 /nfs/dbraw/zinc/91/85/01/561918501.db2.gz BCNORGDAYVOPGM-HHHXNRCGSA-N 2 0 555.144 3.886 1 0 KHAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)N3CCCCC3)cc2)CC1 ZINC000028372108 561918492 /nfs/dbraw/zinc/91/84/92/561918492.db2.gz OOWDXRYSAMPFPH-UHFFFAOYSA-N 2 0 531.661 3.752 1 0 KHAFRP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CC2CC[NH2+]CC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028379507 561919807 /nfs/dbraw/zinc/91/98/07/561919807.db2.gz ZSOSLHPASNRCAN-CZNDPXEESA-N 2 0 629.249 3.520 1 0 KHAFRP C[C@H](c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000028385455 561920933 /nfs/dbraw/zinc/92/09/33/561920933.db2.gz BDQUELKIFBWVCM-MXBOTTGLSA-N 2 0 603.211 3.948 1 0 KHAFRP C[C@@H](c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000028385461 561920913 /nfs/dbraw/zinc/92/09/13/561920913.db2.gz BDQUELKIFBWVCM-SUYBVONHSA-N 2 0 603.211 3.948 1 0 KHAFRP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)[C@@H]1CCC[NH2+]1 ZINC000028395398 561923061 /nfs/dbraw/zinc/92/30/61/561923061.db2.gz WLBXSDRVYYPHOC-WUFINQPMSA-N 2 0 580.198 3.862 1 0 KHAFRP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)[C@H]1CCC[NH2+]1 ZINC000028395405 561923030 /nfs/dbraw/zinc/92/30/30/561923030.db2.gz WLBXSDRVYYPHOC-VSGBNLITSA-N 2 0 580.198 3.862 1 0 KHAFRP C[C@@H]([NH2+]Cc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028396119 561923036 /nfs/dbraw/zinc/92/30/36/561923036.db2.gz BEXZQSKPPAOPDU-QFQXNSOFSA-N 2 0 538.092 3.509 1 0 KHAFRP C[C@H]([NH2+]Cc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028396124 561923040 /nfs/dbraw/zinc/92/30/40/561923040.db2.gz BEXZQSKPPAOPDU-HFZDXXHNSA-N 2 0 538.092 3.509 1 0 KHAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccn4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028396939 561923160 /nfs/dbraw/zinc/92/31/60/561923160.db2.gz BJMTUHPLTGTGJU-WJOKGBTCSA-N 2 0 610.715 3.827 1 0 KHAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccn4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028396946 561923201 /nfs/dbraw/zinc/92/32/01/561923201.db2.gz BJMTUHPLTGTGJU-HKBQPEDESA-N 2 0 610.715 3.827 1 0 KHAFRP [NH3+]C1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3C[NH2+]CCc3cccs3)CC2)CC1 ZINC000028397464 561923263 /nfs/dbraw/zinc/92/32/63/561923263.db2.gz PKPHYTZTPDQADB-AREMUKBSSA-N 2 0 566.171 3.601 1 0 KHAFRP CC(C)([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028456124 561923719 /nfs/dbraw/zinc/92/37/19/561923719.db2.gz FBDONGLUIBISOI-AREMUKBSSA-N 2 0 568.187 3.847 1 0 KHAFRP [NH3+]CCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028456599 561923954 /nfs/dbraw/zinc/92/39/54/561923954.db2.gz SPKUFMODEUMWTR-HHHXNRCGSA-N 2 0 568.187 3.849 1 0 KHAFRP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1c2cc(C(C)(C)C)cc(C(C)(C)C)c2[nH]c1C(C)(C)C ZINC000028457530 561924188 /nfs/dbraw/zinc/92/41/88/561924188.db2.gz IGFNCURCRXYZDP-VXKWHMMOSA-N 2 0 542.769 3.851 1 0 KHAFRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](CCC[NH3+])NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028468469 561926599 /nfs/dbraw/zinc/92/65/99/561926599.db2.gz PMIHBFXPSXCKFB-NVQXNPDNSA-N 3 0 564.558 3.552 1 0 KHAFRP CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470519 561926807 /nfs/dbraw/zinc/92/68/07/561926807.db2.gz SEGOHOHUUXEXJV-BDYUSTAISA-N 2 0 509.695 3.944 1 0 KHAFRP CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028472680 561927222 /nfs/dbraw/zinc/92/72/22/561927222.db2.gz FBIXVVSBGBUTAX-UPVQGACJSA-N 2 0 500.709 3.614 1 0 KHAFRP CC(C)C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028474097 561927487 /nfs/dbraw/zinc/92/74/87/561927487.db2.gz PTIGCKULWOAKIL-IGKIAQTJSA-N 2 0 510.679 3.911 1 0 KHAFRP CC(C)(C[NH2+]CCCCCC[NH2+]CCCN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522790 561929580 /nfs/dbraw/zinc/92/95/80/561929580.db2.gz YNSZQYNMPDWUKH-UHFFFAOYSA-N 2 0 518.658 3.735 1 0 KHAFRP C[C@H](C[NH2+]CCCCCC[NH2+]C[C@H](C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522885 561929711 /nfs/dbraw/zinc/92/97/11/561929711.db2.gz QEWSJTKKNIUELQ-SZPZYZBQSA-N 2 0 518.658 3.591 1 0 KHAFRP C[C@H](C[NH2+]CCCCCC[NH2+]C[C@@H](C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522886 561929704 /nfs/dbraw/zinc/92/97/04/561929704.db2.gz QEWSJTKKNIUELQ-FGZHOGPDSA-N 2 0 518.658 3.591 1 0 KHAFRP C[C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522887 561929717 /nfs/dbraw/zinc/92/97/17/561929717.db2.gz QEWSJTKKNIUELQ-VXKWHMMOSA-N 2 0 518.658 3.591 1 0 KHAFRP [NH3+][C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000028523497 561930227 /nfs/dbraw/zinc/93/02/27/561930227.db2.gz SSBUZGGEUUYBCA-MYZQXJPJSA-N 2 0 728.850 3.570 1 0 KHAFRP Cc1ccc2c(c1)C(=O)N(C[C@@H](C)C[NH2+]CCCCCC[NH2+]CCCN1C(=O)c3ccccc3C1=O)C2=O ZINC000028523713 561930421 /nfs/dbraw/zinc/93/04/21/561930421.db2.gz HNGYNYXAGMIYFP-QFIPXVFZSA-N 2 0 518.658 3.653 1 0 KHAFRP Cc1ccc2c(c1)C(=O)N(C[C@H](C)C[NH2+]CCCCCC[NH2+]CCCN1C(=O)c3ccccc3C1=O)C2=O ZINC000028523714 561930367 /nfs/dbraw/zinc/93/03/67/561930367.db2.gz HNGYNYXAGMIYFP-JOCHJYFZSA-N 2 0 518.658 3.653 1 0 KHAFRP [NH3+][C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([NH3+])Cc2ccc(O)cc2)cc1 ZINC000028523726 561930437 /nfs/dbraw/zinc/93/04/37/561930437.db2.gz UAUOHNVOEKGVED-SIMZDOAPSA-N 2 0 728.850 3.570 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)NCCCCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000028530039 561934442 /nfs/dbraw/zinc/93/44/42/561934442.db2.gz PKRAENCMWFWKSB-IMKBVMFZSA-N 2 0 657.856 3.518 1 0 in-vivo KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)NCCCCCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000028530042 561934427 /nfs/dbraw/zinc/93/44/27/561934427.db2.gz PKRAENCMWFWKSB-PUPDPRJKSA-N 2 0 657.856 3.518 1 0 in-vivo KHAFRP NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[NH+](CCCCCCCCCCCC[NH3+])CC1 ZINC000028643793 561944258 /nfs/dbraw/zinc/94/42/58/561944258.db2.gz XMUFRADMMJZLAV-SANMLTNESA-N 3 0 633.826 3.619 1 0 KHAFRP NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)N1CC[NH+](CCCCCCCCCCCC[NH3+])CC1 ZINC000028643933 561944262 /nfs/dbraw/zinc/94/42/62/561944262.db2.gz IJUQJZBQSSPTLK-LJAQVGFWSA-N 3 0 615.889 3.754 1 0 KHAFRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC[NH3+] ZINC000028653042 561946132 /nfs/dbraw/zinc/94/61/32/561946132.db2.gz KQXJGASUCUHFSP-XLDNGHKCSA-N 2 0 640.829 3.730 1 0 KHAFRP Cc1ccc(C[NH3+])cc1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2c1 ZINC000028702777 561947321 /nfs/dbraw/zinc/94/73/21/561947321.db2.gz ZBULOKGSIMDZDA-UHFFFAOYSA-N 2 0 531.686 3.885 1 0 KHAFRP C[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000028705447 561948991 /nfs/dbraw/zinc/94/89/91/561948991.db2.gz RNCWEGASEIXTEK-KYKSMWCUSA-N 2 0 557.842 3.748 1 0 KHAFRP C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)Nc4cc5cccc6c5c(c4)C(=O)N(CC[NH+](C)C)C6=O)cc(c32)C1=O ZINC000028712253 561952815 /nfs/dbraw/zinc/95/28/15/561952815.db2.gz KXHWWLCYHQCJMC-UHFFFAOYSA-N 2 0 592.656 3.952 1 0 KHAFRP 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+]2CC1CC1)[C@H]5O4 ZINC000028764970 561959420 /nfs/dbraw/zinc/95/94/20/561959420.db2.gz APSUXPSYBJVPPS-XFPGJURKSA-N 2 0 661.799 3.824 1 0 KHAFRP O=C(CN1c2ccccc2Sc2ccccc21)NCc1ccc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc1 ZINC000028817783 561965049 /nfs/dbraw/zinc/96/50/49/561965049.db2.gz UFPAKOXVBMYECE-UHFFFAOYSA-N 2 0 558.796 3.970 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H]([NH3+])c1nc2ccccc2[nH]1 ZINC000028821112 561966171 /nfs/dbraw/zinc/96/61/71/561966171.db2.gz YQQMQROTEMPVHU-VWYPKUQYSA-N 2 0 568.722 3.695 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)C1 ZINC000028824439 561969646 /nfs/dbraw/zinc/96/96/46/561969646.db2.gz JCPYLQMDIBMVPM-QFIPXVFZSA-N 2 0 613.582 3.747 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)C1 ZINC000028824440 561969653 /nfs/dbraw/zinc/96/96/53/561969653.db2.gz JCPYLQMDIBMVPM-JOCHJYFZSA-N 2 0 613.582 3.747 1 0 KHAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000028824977 561970267 /nfs/dbraw/zinc/97/02/67/561970267.db2.gz TYIVCKPBPCBXRJ-NRFANRHFSA-N 2 0 576.356 3.621 1 0 KHAFRP [NH3+]Cc1ncc([C@@]23C[C@@H]2[C@H](N(CC[N@@H+]2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825135 561970291 /nfs/dbraw/zinc/97/02/91/561970291.db2.gz ZPOIVAJZTHLTTO-IIPRLWIHSA-N 2 0 527.588 3.781 1 0 KHAFRP [NH3+]CCCOc1cc(N2CC[C@@H]([NH3+])C2)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000028825289 561970705 /nfs/dbraw/zinc/97/07/05/561970705.db2.gz SAKSJPVESXDHJE-GOSISDBHSA-N 2 0 509.010 3.505 1 0 KHAFRP C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cn3)c(OCCC[NH3+])c2)CC1 ZINC000028825295 561970672 /nfs/dbraw/zinc/97/06/72/561970672.db2.gz ONYXJPPMZIBARL-UHFFFAOYSA-N 2 0 523.037 3.719 1 0 KHAFRP CC(C)C[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000028825750 561970949 /nfs/dbraw/zinc/97/09/49/561970949.db2.gz WTVGIWKDVPSDRV-XZOQPEGZSA-N 2 0 538.495 3.513 1 0 KHAFRP CC(C)C[C@@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000028825751 561970972 /nfs/dbraw/zinc/97/09/72/561970972.db2.gz WTVGIWKDVPSDRV-DHIUTWEWSA-N 2 0 538.495 3.513 1 0 KHAFRP CC(C)C[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000028825753 561970957 /nfs/dbraw/zinc/97/09/57/561970957.db2.gz AEZCRBIFPKXUGD-BJKOFHAPSA-N 2 0 552.522 3.903 1 0 KHAFRP CC(C)C[C@@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000028825754 561970968 /nfs/dbraw/zinc/97/09/68/561970968.db2.gz AEZCRBIFPKXUGD-DNQXCXABSA-N 2 0 552.522 3.903 1 0 KHAFRP CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000028827028 561971531 /nfs/dbraw/zinc/97/15/31/561971531.db2.gz HQZHIDQSFIHLEB-LOSJGSFVSA-N 2 0 545.577 3.659 1 0 KHAFRP CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000028827029 561971536 /nfs/dbraw/zinc/97/15/36/561971536.db2.gz HQZHIDQSFIHLEB-DQEYMECFSA-N 2 0 545.577 3.659 1 0 KHAFRP C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](CCc1c[nH]c3ccccc13)C2 ZINC000028863566 561972406 /nfs/dbraw/zinc/97/24/06/561972406.db2.gz VTBVXMWPFNAGBO-UHFFFAOYSA-N 2 0 598.698 3.988 1 0 KHAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028863568 561972310 /nfs/dbraw/zinc/97/23/10/561972310.db2.gz WHEDHWZAZRCOHY-UHFFFAOYSA-N 2 0 559.661 3.773 1 0 KHAFRP CC(=[NH2+])Nc1cc(C(=O)Nc2cc(C(=O)Nc3nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s3)n(C)c2)n(C)c1 ZINC000028864033 561972480 /nfs/dbraw/zinc/97/24/80/561972480.db2.gz XGESMADIWCFULR-UHFFFAOYSA-N 2 0 555.709 3.539 1 0 KHAFRP C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000028864107 561972556 /nfs/dbraw/zinc/97/25/56/561972556.db2.gz VIBZWBFABDSSKX-UHFFFAOYSA-N 2 0 611.697 3.650 1 0 KHAFRP Cc1ccccc1C[NH+]1CCc2c(c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864135 561972470 /nfs/dbraw/zinc/97/24/70/561972470.db2.gz PDQCJZJFEPQKRT-UHFFFAOYSA-N 2 0 559.661 3.773 1 0 KHAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH2+]4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864174 561972884 /nfs/dbraw/zinc/97/28/84/561972884.db2.gz LQAIYGISSMMWQL-QFIPXVFZSA-N 2 0 508.613 3.654 1 0 KHAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH2+]4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864175 561972878 /nfs/dbraw/zinc/97/28/78/561972878.db2.gz LQAIYGISSMMWQL-JOCHJYFZSA-N 2 0 508.613 3.654 1 0 KHAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@H+]4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864178 561972805 /nfs/dbraw/zinc/97/28/05/561972805.db2.gz MHSAZRNRLVUKIR-HSZRJFAPSA-N 2 0 522.640 3.996 1 0 KHAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@H+]4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864180 561972742 /nfs/dbraw/zinc/97/27/42/561972742.db2.gz MHSAZRNRLVUKIR-QHCPKHFHSA-N 2 0 522.640 3.996 1 0 KHAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH2+]C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864210 561972776 /nfs/dbraw/zinc/97/27/76/561972776.db2.gz NNYSCEKARXXACN-OAQYLSRUSA-N 2 0 508.613 3.511 1 0 KHAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH2+]C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864213 561972727 /nfs/dbraw/zinc/97/27/27/561972727.db2.gz NNYSCEKARXXACN-NRFANRHFSA-N 2 0 508.613 3.511 1 0 KHAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@@H+](C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864216 561972830 /nfs/dbraw/zinc/97/28/30/561972830.db2.gz DOGMLUOACWVFHA-JOCHJYFZSA-N 2 0 522.640 3.853 1 0 KHAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@@H+](C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864219 561972859 /nfs/dbraw/zinc/97/28/59/561972859.db2.gz DOGMLUOACWVFHA-QFIPXVFZSA-N 2 0 522.640 3.853 1 0 KHAFRP [NH3+]CCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CC[NH2+]CC1 ZINC000028876844 561975838 /nfs/dbraw/zinc/97/58/38/561975838.db2.gz LPVJFAKKTGXFML-CZNDPXEESA-N 2 0 593.772 3.603 1 0 KHAFRP O=C(NCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1 ZINC000028884191 561977398 /nfs/dbraw/zinc/97/73/98/561977398.db2.gz LLGOZDNWSZVDOK-UHFFFAOYSA-N 2 0 534.632 3.542 1 0 KHAFRP Cc1c(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccccc4)CC3)CCCCC2)cnn1C ZINC000028953791 561982486 /nfs/dbraw/zinc/98/24/86/561982486.db2.gz YZAGVYBBAOOSKH-WDYNHAJCSA-N 2 0 520.766 3.789 1 0 KHAFRP C[NH2+]CC(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953928 561982759 /nfs/dbraw/zinc/98/27/59/561982759.db2.gz XLHGTHPTRYGVEO-WDYNHAJCSA-N 2 0 566.190 3.738 1 0 KHAFRP C[C@@H]([NH3+])C(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953931 561982777 /nfs/dbraw/zinc/98/27/77/561982777.db2.gz WYFPFUOSSIFWKQ-USOMCTOXSA-N 2 0 566.190 3.866 1 0 KHAFRP C[C@H]([NH3+])C(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953934 561982765 /nfs/dbraw/zinc/98/27/65/561982765.db2.gz WYFPFUOSSIFWKQ-DOUMQJFESA-N 2 0 566.190 3.866 1 0 KHAFRP [NH3+]CCC(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953936 561982780 /nfs/dbraw/zinc/98/27/80/561982780.db2.gz RTEWXBDAJXCHOU-WDYNHAJCSA-N 2 0 566.190 3.868 1 0 KHAFRP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN3CC[NH2+]CC3)CC2)C1 ZINC000028959725 561983955 /nfs/dbraw/zinc/98/39/55/561983955.db2.gz GOBHJBHDLZVCNF-RRPNLBNLSA-N 2 0 510.126 3.518 1 0 KHAFRP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN3CC[NH+](C)CC3)CC2)C1 ZINC000028959728 561983957 /nfs/dbraw/zinc/98/39/57/561983957.db2.gz ZECQNJBJFAZORD-WUFINQPMSA-N 2 0 524.153 3.860 1 0 KHAFRP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN(C)C3C[NH2+]C3)CC2)C1 ZINC000028959772 561983872 /nfs/dbraw/zinc/98/38/72/561983872.db2.gz VBFZVGNTNUWTFQ-RRPNLBNLSA-N 2 0 510.126 3.516 1 0 KHAFRP CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)C[NH+](C)C)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975299 561986369 /nfs/dbraw/zinc/98/63/69/561986369.db2.gz PXRJBYSXFOWDHK-JBRSBNLGSA-N 2 0 572.751 3.648 1 0 KHAFRP CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975411 561986633 /nfs/dbraw/zinc/98/66/33/561986633.db2.gz NBEYIKPRTIBJBG-SONWIMMPSA-N 2 0 572.751 3.648 1 0 KHAFRP [NH3+]CCCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CCCC[NH3+])NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000029038817 561989340 /nfs/dbraw/zinc/98/93/40/561989340.db2.gz DUCRIXKXJZZDHT-HOTGVXAUSA-N 2 0 658.632 3.796 1 0 KHAFRP [NH3+]CC1CC[NH+](Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1 ZINC000029040637 561990804 /nfs/dbraw/zinc/99/08/04/561990804.db2.gz VRXCVXPQSXIQRY-UHFFFAOYSA-N 2 0 549.582 3.861 1 0 KHAFRP C[C@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C[C@H]4C[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000029048435 561993544 /nfs/dbraw/zinc/99/35/44/561993544.db2.gz KLJJCNSRMJAWAI-GGBKSGMNSA-N 3 0 556.858 3.715 1 0 KHAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)c(Cl)c(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)c2Cl)C1 ZINC000029048919 561993791 /nfs/dbraw/zinc/99/37/91/561993791.db2.gz LZHIQPKIGVPJDD-FXELSEDVSA-N 4 0 650.615 3.973 1 0 KHAFRP C[C@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C[C@H]4C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000029050669 561994257 /nfs/dbraw/zinc/99/42/57/561994257.db2.gz KLJJCNSRMJAWAI-MUHPNKRVSA-N 3 0 556.858 3.715 1 0 KHAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC4CC[NH2+]CC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000029060324 561995688 /nfs/dbraw/zinc/99/56/88/561995688.db2.gz SNNCHDGGFJMQBO-UHFFFAOYSA-N 2 0 508.613 3.511 1 0 KHAFRP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1CC[N@@H+]1CCc3ccccc3C1)CC[NH+](CC1CCCC1)C2 ZINC000029060700 561995632 /nfs/dbraw/zinc/99/56/32/561995632.db2.gz FPEODYSPDCNTCE-UHFFFAOYSA-N 2 0 534.651 3.943 1 0 KHAFRP CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCC[NH+](C)C)CC[NH2+]2)c1 ZINC000029128727 562001114 /nfs/dbraw/zinc/00/11/14/562001114.db2.gz KCPUSDLIDQXISF-XFBWMNOSSA-N 2 0 602.767 3.936 1 0 KHAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)C[NH3+])C(C)C)c1 ZINC000029130977 562002924 /nfs/dbraw/zinc/00/29/24/562002924.db2.gz YBORROWXCFESBC-LBRLCBGXSA-N 2 0 596.216 3.964 1 0 KHAFRP 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]2c2ccoc2)CC1 ZINC000029131456 562002990 /nfs/dbraw/zinc/00/29/90/562002990.db2.gz BSDWQYNASNMKHX-HFASVGIHSA-N 2 0 555.739 3.956 1 0 KHAFRP [NH3+]CCN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000029132077 562003243 /nfs/dbraw/zinc/00/32/43/562003243.db2.gz VLKVNRAHZUFUBY-UHFFFAOYSA-N 2 0 501.052 3.508 1 0 KHAFRP C[NH+]1CCN(c2cccc3ccc(OCC(=O)N4CCN(C(=O)COc5ccc6cccc(N7CC[NH+](C)CC7)c6c5)CC4)cc32)CC1 ZINC000029209235 562005534 /nfs/dbraw/zinc/00/55/34/562005534.db2.gz VTQFKNOCGMLKLQ-UHFFFAOYSA-N 2 0 650.824 3.625 1 0 KHAFRP NC(=[NH2+])c1ccc(C(=O)NCC2CCN(C(=O)OCc3ccc(COC(=O)N4CCC(CNC(=O)c5ccc(C(N)=[NH2+])cc5)CC4)cc3)CC2)cc1 ZINC000029392619 562017764 /nfs/dbraw/zinc/01/77/64/562017764.db2.gz WKPLTJYUKCBVTC-UHFFFAOYSA-N 2 0 710.836 3.812 1 0 KHAFRP CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Oc2ccc(Oc3ccc(N4C(=N)NC(=[NH2+])NC4(C)C)cc3)cc2)cc1 ZINC000029415144 562022743 /nfs/dbraw/zinc/02/27/43/562022743.db2.gz NWKICOYSKONELY-UHFFFAOYSA-N 2 0 540.632 3.642 1 0 KHAFRP N=C1NC(=[NH2+])N[C@@H](c2ccccc2)N1c1ccc(CCc2ccc(N3C(=N)NC(=[NH2+])N[C@@H]3c3ccccc3)cc2)cc1 ZINC000029467084 562024658 /nfs/dbraw/zinc/02/46/58/562024658.db2.gz UJMFAGFZUXAUMS-HNRBIFIRSA-N 2 0 556.678 3.768 1 0 KHAFRP N=C1NC(=[NH2+])N[C@H](c2ccccc2)N1c1ccc(CCc2ccc(N3C(=N)NC(=[NH2+])N[C@@H]3c3ccccc3)cc2)cc1 ZINC000029467087 562024586 /nfs/dbraw/zinc/02/45/86/562024586.db2.gz UJMFAGFZUXAUMS-NSOVKSMOSA-N 2 0 556.678 3.768 1 0 KHAFRP N=C1NC(=[NH2+])N[C@@H](c2ccccc2)N1c1ccc(CCc2ccc(N3C(=N)NC(=[NH2+])N[C@H]3c3ccccc3)cc2)cc1 ZINC000029467090 562024639 /nfs/dbraw/zinc/02/46/39/562024639.db2.gz UJMFAGFZUXAUMS-VSGBNLITSA-N 2 0 556.678 3.768 1 0 KHAFRP N=C1NC(=[NH2+])NC2(CCCCC2)N1c1ccc(CCc2ccc(N3C(=N)NC(=[NH2+])NC34CCCCC4)cc2)cc1 ZINC000029468381 562024928 /nfs/dbraw/zinc/02/49/28/562024928.db2.gz DIRCWEWFJMIBNW-UHFFFAOYSA-N 2 0 540.720 3.691 1 0 KHAFRP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000029481915 562027474 /nfs/dbraw/zinc/02/74/74/562027474.db2.gz KSYCSMCFFBSOBZ-VMPREFPWSA-N 2 0 522.734 3.871 1 0 KHAFRP CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000029553359 562031564 /nfs/dbraw/zinc/03/15/64/562031564.db2.gz RQDWTZQJFZRCDG-DTESGWEMSA-N 2 0 583.777 3.551 1 0 KHAFRP CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000029563267 562033806 /nfs/dbraw/zinc/03/38/06/562033806.db2.gz FVQAJYURFLBKJZ-SLGQDESLSA-N 2 0 597.804 3.941 1 0 KHAFRP CN(C)C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000029564791 562034228 /nfs/dbraw/zinc/03/42/28/562034228.db2.gz CDQSFGJJZAMCMP-IMQGJPKGSA-N 2 0 670.899 3.665 1 0 KHAFRP C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](Cc1ccc(O)cc1)N(C)C ZINC000034026762 562038107 /nfs/dbraw/zinc/03/81/07/562038107.db2.gz LLNODVNPBWSKLU-IDZRBWSNSA-N 2 0 518.746 3.876 1 0 KHAFRP C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](Cc1ccc(O)cc1)N(C)C ZINC000034026763 562038068 /nfs/dbraw/zinc/03/80/68/562038068.db2.gz LLNODVNPBWSKLU-FRXPANAUSA-N 2 0 518.746 3.876 1 0 KHAFRP [NH2+]=C(NCCC[NH2+]CCCCCCC[NH2+]CCCNC(=[NH2+])NCc1ccccc1)NCc1ccccc1 ZINC000034605597 562039157 /nfs/dbraw/zinc/03/91/57/562039157.db2.gz OIJHYSMVOFTTOD-UHFFFAOYSA-N 4 0 508.759 3.525 1 0 KHAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCN(C(=O)C3CCN(C(N)=[NH2+])CC3)CC2)c(C(C)C)c1 ZINC000034689215 562039670 /nfs/dbraw/zinc/03/96/70/562039670.db2.gz UJZLHOJWUWBESX-YTTGMZPUSA-N 2 0 708.974 3.897 1 0 KHAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(C(=O)NCC[NH3+])CC2)c(C(C)C)c1 ZINC000034689224 562039767 /nfs/dbraw/zinc/03/97/67/562039767.db2.gz TUMAXVUNGVRGFA-LJAQVGFWSA-N 2 0 626.868 3.544 1 0 KHAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCN(C(=O)CC[NH3+])CC2)c(C(C)C)c1 ZINC000034689243 562039765 /nfs/dbraw/zinc/03/97/65/562039765.db2.gz ILZXXPBHWISQSX-LJAQVGFWSA-N 2 0 626.868 3.640 1 0 KHAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)C3CC[NH2+]CC3)CC2)c(C(C)C)c1 ZINC000034717887 562039992 /nfs/dbraw/zinc/03/99/92/562039992.db2.gz XKXAXFJNQDWDNX-HKBQPEDESA-N 2 0 652.906 3.901 1 0 KHAFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)CCC[NH3+])CC2)c(C(C)C)c1 ZINC000034717893 562039989 /nfs/dbraw/zinc/03/99/89/562039989.db2.gz XIXFFEVKOUVTRE-LJAQVGFWSA-N 2 0 626.868 3.640 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000034804764 562043277 /nfs/dbraw/zinc/04/32/77/562043277.db2.gz ACOYYVDPMMDIFE-HSZRJFAPSA-N 2 0 614.694 3.618 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000034804769 562043310 /nfs/dbraw/zinc/04/33/10/562043310.db2.gz ACOYYVDPMMDIFE-QHCPKHFHSA-N 2 0 614.694 3.618 1 0 KHAFRP CC(C)([NH3+])COc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 ZINC000035837069 562045498 /nfs/dbraw/zinc/04/54/98/562045498.db2.gz JRRKWFRTDFOWAB-SANMLTNESA-N 2 0 502.615 3.959 1 0 KHAFRP CC[NH+](CC)CCNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NCC[NH+](CC)CC)cc3)ncn2)cc1 ZINC000036176679 562049364 /nfs/dbraw/zinc/04/93/64/562049364.db2.gz URRVBCDVPYBWLD-UHFFFAOYSA-N 2 0 516.690 3.954 1 0 KHAFRP C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](Cc1ccc(O)cc1)N(C)C ZINC000036216229 562051281 /nfs/dbraw/zinc/05/12/81/562051281.db2.gz LLNODVNPBWSKLU-OCBJUFRSSA-N 2 0 518.746 3.876 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH3+])c1nc2ccccc2[nH]1 ZINC000036216294 562051309 /nfs/dbraw/zinc/05/13/09/562051309.db2.gz GDHJQGJCKHJHHZ-NSGJQZOKSA-N 2 0 568.722 3.695 1 0 in-vivo KHAFRP C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C ZINC000036216338 562051208 /nfs/dbraw/zinc/05/12/08/562051208.db2.gz LLNODVNPBWSKLU-DYIKCSJPSA-N 2 0 518.746 3.876 1 0 KHAFRP C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C ZINC000036216344 562051266 /nfs/dbraw/zinc/05/12/66/562051266.db2.gz LLNODVNPBWSKLU-DTXPUJKBSA-N 2 0 518.746 3.876 1 0 KHAFRP C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](Cc1ccc(O)cc1)N(C)C ZINC000036216348 562051248 /nfs/dbraw/zinc/05/12/48/562051248.db2.gz LLNODVNPBWSKLU-JBOQNHBVSA-N 2 0 518.746 3.876 1 0 KHAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@]2([NH3+])CCc3ccccc32)CC1 ZINC000036269859 562053069 /nfs/dbraw/zinc/05/30/69/562053069.db2.gz QTUAHMLSKYOMMA-OHTRWLLASA-N 2 0 629.249 3.919 1 0 KHAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2C[NH2+]CCc2ccccc2F)CC1 ZINC000036284883 562053477 /nfs/dbraw/zinc/05/34/77/562053477.db2.gz OYRLFHXCEIGTDC-HHHXNRCGSA-N 2 0 601.554 3.585 1 0 KHAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2C[NH2+]CCc2cccs2)CC1 ZINC000036285132 562053821 /nfs/dbraw/zinc/05/38/21/562053821.db2.gz IUNCGAFNDHPKCJ-RUZDIDTESA-N 2 0 589.593 3.507 1 0 KHAFRP CCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036285193 562053970 /nfs/dbraw/zinc/05/39/70/562053970.db2.gz RCLFGGUMFZITKQ-VSGBNLITSA-N 2 0 552.163 3.621 1 0 KHAFRP CCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036285199 562053897 /nfs/dbraw/zinc/05/38/97/562053897.db2.gz RCLFGGUMFZITKQ-WUFINQPMSA-N 2 0 552.163 3.621 1 0 KHAFRP CC(C)C1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036285203 562053962 /nfs/dbraw/zinc/05/39/62/562053962.db2.gz HZXFJUQBLJSHSL-FQLXRVMXSA-N 2 0 566.190 3.867 1 0 KHAFRP CC(C)C1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036285207 562053928 /nfs/dbraw/zinc/05/39/28/562053928.db2.gz HZXFJUQBLJSHSL-URLMMPGGSA-N 2 0 566.190 3.867 1 0 KHAFRP CC(C)C(=O)N[C@H]1CC[C@H]2C[C@H]3C(=O)C[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)C[NH3+] ZINC000036295005 562054843 /nfs/dbraw/zinc/05/48/43/562054843.db2.gz NPNRAVUSIICRPW-LEBKPUJWSA-N 2 0 503.772 3.851 1 0 KHAFRP C[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)[N@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000038147599 562065617 /nfs/dbraw/zinc/06/56/17/562065617.db2.gz DGPYFRPOLFFYGM-YRCZKMHPSA-N 3 0 573.826 3.738 1 0 KHAFRP C[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)[N@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)[NH2+]C ZINC000038147600 562065649 /nfs/dbraw/zinc/06/56/49/562065649.db2.gz KXVDQEBWXOUYEM-CUPIEXAXSA-N 3 0 587.853 3.998 1 0 KHAFRP [NH3+][C@@H](CCCCNS(=O)(=O)c1ccccc1F)C[NH2+][C@@H]1CCc2cc(O)ccc2[C@@H]1Cc1cccnc1 ZINC000038320259 562070941 /nfs/dbraw/zinc/07/09/41/562070941.db2.gz DYRFYKOYSPZJNA-RIACCQAKSA-N 2 0 526.678 3.633 1 0 KHAFRP [NH3+][C@@H](CCCCNS(=O)(=O)c1ccccc1F)C[NH2+][C@H]1CCc2cc(O)ccc2[C@@H]1Cc1cccnc1 ZINC000038320261 562070931 /nfs/dbraw/zinc/07/09/31/562070931.db2.gz DYRFYKOYSPZJNA-LNBJVWSJSA-N 2 0 526.678 3.633 1 0 KHAFRP [NH3+][C@@H](CCCCNS(=O)(=O)c1ccccc1F)C[NH2+][C@@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1 ZINC000038320263 562070919 /nfs/dbraw/zinc/07/09/19/562070919.db2.gz DYRFYKOYSPZJNA-GEWUYGHSSA-N 2 0 526.678 3.633 1 0 KHAFRP [NH3+][C@@H](CCCCNS(=O)(=O)c1ccccc1F)C[NH2+][C@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1 ZINC000038320265 562070955 /nfs/dbraw/zinc/07/09/55/562070955.db2.gz DYRFYKOYSPZJNA-RWUBSVTLSA-N 2 0 526.678 3.633 1 0 KHAFRP CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000040401641 562074588 /nfs/dbraw/zinc/07/45/88/562074588.db2.gz QVAVMOYDEXISTD-BJKOFHAPSA-N 2 0 534.532 3.764 1 0 KHAFRP CC(C)C[C@@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000040401644 562074590 /nfs/dbraw/zinc/07/45/90/562074590.db2.gz QVAVMOYDEXISTD-DNQXCXABSA-N 2 0 534.532 3.764 1 0 KHAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCC[NH2+]CCCc2ccccc2)CC1 ZINC000040421712 562075755 /nfs/dbraw/zinc/07/57/55/562075755.db2.gz AYEILUFTEVTKGP-UHFFFAOYSA-N 2 0 531.097 3.671 1 0 KHAFRP C[NH2+]CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000040422033 562075882 /nfs/dbraw/zinc/07/58/82/562075882.db2.gz SPMKIPNEUHJQPS-BJKOFHAPSA-N 2 0 534.532 3.635 1 0 KHAFRP C[NH2+]CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H]([NH3+])CC(C)C)CC1 ZINC000040422035 562075895 /nfs/dbraw/zinc/07/58/95/562075895.db2.gz SPMKIPNEUHJQPS-DNQXCXABSA-N 2 0 534.532 3.635 1 0 KHAFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[NH2+]CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000040423011 562076162 /nfs/dbraw/zinc/07/61/62/562076162.db2.gz FTPFTSZCIOVABV-QHCPKHFHSA-N 2 0 515.677 3.622 1 0 KHAFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[NH+](C)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000040956178 562086554 /nfs/dbraw/zinc/08/65/54/562086554.db2.gz BNWLQLSZHBDWOI-DEOSSOPVSA-N 2 0 529.704 3.964 1 0 KHAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000042876561 581097276 /nfs/dbraw/zinc/09/72/76/581097276.db2.gz GMTPFEPAXXLLCG-MHZLTWQESA-N 2 0 568.143 3.768 1 0 KHAFRP NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000042876565 581097258 /nfs/dbraw/zinc/09/72/58/581097258.db2.gz GMTPFEPAXXLLCG-HHHXNRCGSA-N 2 0 568.143 3.768 1 0 KHAFRP CC(=O)C(=O)NCCCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000043068801 562645450 /nfs/dbraw/zinc/64/54/50/562645450.db2.gz FARGFRBRQDEJGX-UHFFFAOYSA-N 2 0 522.734 3.940 1 0 KHAFRP COc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN4CC[NH+](C)CC4)c(NC(=O)CCC[NH+](C)C)c3)n(C)c2c1 ZINC000044351867 562654882 /nfs/dbraw/zinc/65/48/82/562654882.db2.gz UHNHLGOBWISPEZ-UHFFFAOYSA-N 2 0 579.742 3.519 1 0 KHAFRP Clc1ccc2c(c1)nccc2NCCN1CCN(c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)CC1 ZINC000044359129 562655423 /nfs/dbraw/zinc/65/54/23/562655423.db2.gz ISGGMZJJOJPZPD-UHFFFAOYSA-N 2 0 546.079 3.888 1 0 KHAFRP CCc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000044386940 562656018 /nfs/dbraw/zinc/65/60/18/562656018.db2.gz QBIQHSJYZKKJPJ-LJAQVGFWSA-N 2 0 561.752 3.677 1 0 KHAFRP CCc1ccc(-c2cccc(S(=O)(=O)N[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000044386943 562656019 /nfs/dbraw/zinc/65/60/19/562656019.db2.gz QBIQHSJYZKKJPJ-GDLZYMKVSA-N 2 0 561.752 3.677 1 0 KHAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000044403913 562656338 /nfs/dbraw/zinc/65/63/38/562656338.db2.gz FPYOOPDUUPDBNP-MHZLTWQESA-N 2 0 568.143 3.768 1 0 KHAFRP NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000044403917 562656353 /nfs/dbraw/zinc/65/63/53/562656353.db2.gz FPYOOPDUUPDBNP-HHHXNRCGSA-N 2 0 568.143 3.768 1 0 KHAFRP COc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000045167754 562658072 /nfs/dbraw/zinc/65/80/72/562658072.db2.gz ROGFOGWMCKRYQI-UHFFFAOYSA-N 2 0 505.684 3.993 1 0 KHAFRP COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1 ZINC000045168784 562658179 /nfs/dbraw/zinc/65/81/79/562658179.db2.gz HCJWWSZAGUVPSC-UHFFFAOYSA-N 2 0 505.684 3.993 1 0 KHAFRP COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1cccc(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000045190055 562658470 /nfs/dbraw/zinc/65/84/70/562658470.db2.gz MBSPQRNFFPQPMJ-UHFFFAOYSA-N 2 0 505.684 3.993 1 0 KHAFRP COc1ccc(-c2ccccc2C[NH2+]C2Cc3ccccc3C2)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000045192850 562658690 /nfs/dbraw/zinc/65/86/90/562658690.db2.gz BFNSGXRUDCXINA-UHFFFAOYSA-N 2 0 505.684 3.993 1 0 KHAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCOc3ccc4nonc4c3)CC2)c2ccc(F)cc2)CC1 ZINC000045227690 562659406 /nfs/dbraw/zinc/65/94/06/562659406.db2.gz SJVMPAUYVWCESB-NDEPHWFRSA-N 2 0 510.658 3.516 1 0 KHAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCOc3ccc4nonc4c3)CC2)c2ccc(F)cc2)CC1 ZINC000045227693 562659396 /nfs/dbraw/zinc/65/93/96/562659396.db2.gz SJVMPAUYVWCESB-MUUNZHRXSA-N 2 0 510.658 3.516 1 0 KHAFRP COc1ccc([C@H](C[NH3+])N2C(=O)c3cccc(N4CC[NH+]([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000045245210 562659693 /nfs/dbraw/zinc/65/96/93/562659693.db2.gz GARZUTMCULGOHF-CPJSRVTESA-N 2 0 514.626 3.883 1 0 KHAFRP COc1ccc([C@@H](C[NH3+])N2C(=O)c3cccc(N4CC[NH+]([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000045245211 562659697 /nfs/dbraw/zinc/65/96/97/562659697.db2.gz GARZUTMCULGOHF-NBGIEHNGSA-N 2 0 514.626 3.883 1 0 KHAFRP CC(C)C[C@@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](C)[NH3+])CC1 ZINC000045498448 562662781 /nfs/dbraw/zinc/66/27/81/562662781.db2.gz USFGPCWFBJRKBF-NTUVXCKYSA-N 2 0 534.532 3.763 1 0 KHAFRP CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](C)[NH3+])CC1 ZINC000045498450 562662783 /nfs/dbraw/zinc/66/27/83/562662783.db2.gz USFGPCWFBJRKBF-GKVQRAMASA-N 2 0 534.532 3.763 1 0 KHAFRP CC[n+]1ccc(-c2cc[n+](Cc3cc(CO)cc(C[n+]4ccc(-c5cc[n+](CC)cc5)cc4)c3)cc2)cc1 ZINC000049035545 562663575 /nfs/dbraw/zinc/66/35/75/562663575.db2.gz OPHYUYDOTSQIIG-UHFFFAOYSA-N 4 0 504.678 3.799 1 0 KHAFRP O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000049087615 562664308 /nfs/dbraw/zinc/66/43/08/562664308.db2.gz WAVMYCLLYYFACJ-RUZDIDTESA-N 2 0 516.608 3.928 1 0 KHAFRP CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](CC[NH+]2CCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000049592998 562664956 /nfs/dbraw/zinc/66/49/56/562664956.db2.gz NYOXUVRQTJSYPX-PNULAOMCSA-N 2 0 606.845 3.966 1 0 KHAFRP Oc1ccc(CCNc2nc(NCCCOc3cc(C[NH+]4CCCCC4)ccc3F)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000049605038 562665274 /nfs/dbraw/zinc/66/52/74/562665274.db2.gz PSWBNJFNFTVZSF-UHFFFAOYSA-N 2 0 564.710 3.647 1 0 KHAFRP Cn1cc(NC(=O)c2ccc(C(=O)c3ccc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCC[NH+]1CCCC1 ZINC000049614420 562666580 /nfs/dbraw/zinc/66/65/80/562666580.db2.gz HDFLZDSSUMQMJK-UHFFFAOYSA-N 2 0 706.848 3.750 1 0 KHAFRP Cn1cc(NC(=O)c2ccc(C(O)c3ccc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCC[NH+]1CCCC1 ZINC000049650201 562668052 /nfs/dbraw/zinc/66/80/52/562668052.db2.gz HWWNPNFFNUGRRU-UHFFFAOYSA-N 2 0 708.864 3.601 1 0 KHAFRP CC(C)(C)c1ccc(CC(C[NH3+])(Cc2ccc(C(C)(C)C)cc2)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000049694584 562669478 /nfs/dbraw/zinc/66/94/78/562669478.db2.gz AVHZCJBYZNMRSY-SANMLTNESA-N 2 0 550.792 3.635 1 0 KHAFRP CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000049722977 562672740 /nfs/dbraw/zinc/67/27/40/562672740.db2.gz AMPOPSQVVNLFPN-HVSNEVFASA-N 2 0 581.761 3.674 1 0 KHAFRP CC[C@H]1OC(=O)[C@H](C)C[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C ZINC000049756740 562675201 /nfs/dbraw/zinc/67/52/01/562675201.db2.gz DQUUUYBDYIEDJR-FUBHLGTCSA-N 2 0 623.832 3.897 1 0 KHAFRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(n3cnc4c3nc(-c3cccc(CO)c3)nc4N3CCOCC3)CC2)cc1 ZINC000049767548 562677622 /nfs/dbraw/zinc/67/76/22/562677622.db2.gz PPKZLTMKAKJNMK-UHFFFAOYSA-N 2 0 585.753 3.990 1 0 KHAFRP C[n+]1ccc(-c2cc[n+](-c3cc(-[n+]4ccc(-c5cc[n+](C)cc5)cc4)cc(-[n+]4ccc(-c5cc[n+](C)cc5)cc4)c3)cc2)cc1 ZINC000049777268 562679847 /nfs/dbraw/zinc/67/98/47/562679847.db2.gz GIIHZDDYMXMZLC-UHFFFAOYSA-N 6 0 588.759 3.991 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)C[NH+]2CCCC2)C1 ZINC000049777567 562680225 /nfs/dbraw/zinc/68/02/25/562680225.db2.gz XYNJENKKHLLFKL-JOCHJYFZSA-N 2 0 615.788 3.921 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000049777568 562680230 /nfs/dbraw/zinc/68/02/30/562680230.db2.gz XYNJENKKHLLFKL-QFIPXVFZSA-N 2 0 615.788 3.921 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(O)CC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049777958 562680741 /nfs/dbraw/zinc/68/07/41/562680741.db2.gz HGMVDOONBIQFOX-UHFFFAOYSA-N 2 0 712.905 3.912 1 0 KHAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=[NH2+])NCCC[NH3+])CC4)c3Cl)c2n1 ZINC000049778166 562680951 /nfs/dbraw/zinc/68/09/51/562680951.db2.gz JVGAVVDDOBLMCV-UHFFFAOYSA-N 2 0 664.660 3.812 1 0 KHAFRP Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)[C@@H]([NH3+])CCC[NH+](C)C)CC4)c3Cl)c2n1 ZINC000049778180 562681037 /nfs/dbraw/zinc/68/10/37/562681037.db2.gz LUQLYWLWDJQOCA-VWLOTQADSA-N 2 0 693.698 3.826 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)C[NH+]2CCN(C3CC3)CC2)C1 ZINC000049780798 562682241 /nfs/dbraw/zinc/68/22/41/562682241.db2.gz VWCGGRXEDBVLOO-RUZDIDTESA-N 2 0 670.868 3.606 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)C[NH+]2CCN(C3CC3)CC2)C1 ZINC000049780799 562682216 /nfs/dbraw/zinc/68/22/16/562682216.db2.gz VWCGGRXEDBVLOO-VWLOTQADSA-N 2 0 670.868 3.606 1 0 KHAFRP O=C(CSc1cc(-c2nn(C[C@@H](O)C[NH+]3CCC(c4ccccn4)CC3)c3c2C[NH2+]CC3)ccc1C(F)(F)F)N1CCOCC1 ZINC000049780931 562682443 /nfs/dbraw/zinc/68/24/43/562682443.db2.gz SFTHNDMBWMEDRI-DEOSSOPVSA-N 2 0 644.764 3.801 1 0 KHAFRP O=C(CSc1cc(-c2nn(C[C@H](O)C[NH+]3CCC(c4ccccn4)CC3)c3c2C[NH2+]CC3)ccc1C(F)(F)F)N1CCOCC1 ZINC000049780935 562682432 /nfs/dbraw/zinc/68/24/32/562682432.db2.gz SFTHNDMBWMEDRI-XMMPIXPASA-N 2 0 644.764 3.801 1 0 KHAFRP C[NH2+]CCSc1cc(-c2nn(CCC[NH+]3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F ZINC000049784189 562683475 /nfs/dbraw/zinc/68/34/75/562683475.db2.gz QJLCNZYAOGFPHL-UHFFFAOYSA-N 2 0 642.814 3.675 1 0 KHAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCOCCOCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049784967 562683871 /nfs/dbraw/zinc/68/38/71/562683871.db2.gz DKPQRJJNRQEGRY-UHFFFAOYSA-N 2 0 622.722 3.878 1 0 KHAFRP O=C(NCCC[NH2+]CCCCCCC[NH2+]CCCNC(=O)NCc1ccccc1)NCc1ccccc1 ZINC000049785839 562684189 /nfs/dbraw/zinc/68/41/89/562684189.db2.gz APCUSBYPGJCOLI-UHFFFAOYSA-N 2 0 510.727 3.895 1 0 KHAFRP CC[NH2+][C@H](CN[C@H](C[NH2+][C@H](CN[C@H](C[NH3+])Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 ZINC000049792296 562684383 /nfs/dbraw/zinc/68/43/83/562684383.db2.gz UOTFWWWMVNRDBT-CUPIEXAXSA-N 3 0 641.857 3.591 1 0 KHAFRP O=C(CO)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793507 562684913 /nfs/dbraw/zinc/68/49/13/562684913.db2.gz QFMAXTIVGRIBEI-QHCPKHFHSA-N 2 0 627.749 3.819 1 0 KHAFRP [NH3+]CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000049793549 562684970 /nfs/dbraw/zinc/68/49/70/562684970.db2.gz QUKJHPUEALEPCS-HSZRJFAPSA-N 3 0 626.765 3.785 1 0 KHAFRP [NH3+]CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793550 562684966 /nfs/dbraw/zinc/68/49/66/562684966.db2.gz QUKJHPUEALEPCS-QHCPKHFHSA-N 3 0 626.765 3.785 1 0 KHAFRP C[NH+](C)C1CCN(C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000049802152 562685524 /nfs/dbraw/zinc/68/55/24/562685524.db2.gz DESSXJDVZNFNFS-VWLOTQADSA-N 2 0 672.884 3.852 1 0 KHAFRP C[NH+](C)C1CCN(C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000049802153 562685480 /nfs/dbraw/zinc/68/54/80/562685480.db2.gz DESSXJDVZNFNFS-RUZDIDTESA-N 2 0 672.884 3.852 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049802170 562685538 /nfs/dbraw/zinc/68/55/38/562685538.db2.gz PVVPHZRDWOTSRD-AREMUKBSSA-N 2 0 712.905 3.912 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049802171 562685534 /nfs/dbraw/zinc/68/55/34/562685534.db2.gz PVVPHZRDWOTSRD-SANMLTNESA-N 2 0 712.905 3.912 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCC4)c3)nn2C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000049802172 562685544 /nfs/dbraw/zinc/68/55/44/562685544.db2.gz QFSJCWDDWWGNBW-JOCHJYFZSA-N 2 0 615.788 3.921 1 0 KHAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049802173 562685532 /nfs/dbraw/zinc/68/55/32/562685532.db2.gz QFSJCWDDWWGNBW-QFIPXVFZSA-N 2 0 615.788 3.921 1 0 KHAFRP C[NH+](C)CCNC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049802302 562685650 /nfs/dbraw/zinc/68/56/50/562685650.db2.gz QFYNLFVPUYVLEM-UHFFFAOYSA-N 2 0 583.741 3.850 1 0 KHAFRP C[NH2+]CCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CCC[NH2+]C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000049802712 562685883 /nfs/dbraw/zinc/68/58/83/562685883.db2.gz AUNUCQMQEYYJPB-HOTGVXAUSA-N 2 0 658.632 3.537 1 0 KHAFRP CCC[NH2+]C[C@H](O)Cn1nc(-c2ccc(C(F)(F)F)c(SCC[NH+]3CCCCC3)c2)c2c1CCN(S(C)(=O)=O)C2 ZINC000049802842 562685942 /nfs/dbraw/zinc/68/59/42/562685942.db2.gz FALXBEBAALSISH-NRFANRHFSA-N 2 0 603.777 3.825 1 0 KHAFRP CCC[NH2+]C[C@@H](O)Cn1nc(-c2ccc(C(F)(F)F)c(SCC[NH+]3CCCCC3)c2)c2c1CCN(S(C)(=O)=O)C2 ZINC000049802843 562685951 /nfs/dbraw/zinc/68/59/51/562685951.db2.gz FALXBEBAALSISH-OAQYLSRUSA-N 2 0 603.777 3.825 1 0 KHAFRP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])Cc1c2cc(C(C)(C)C)cc(C(C)(C)C)c2[nH]c1C(C)(C)C ZINC000049878685 562690718 /nfs/dbraw/zinc/69/07/18/562690718.db2.gz IGFNCURCRXYZDP-YADHBBJMSA-N 2 0 542.769 3.851 1 0 KHAFRP O=C1C[C@@H]2OCC=C3C[NH+]4[C@@H](C5=C[C@@H]6[C@@H]7N(c8ccccc8[C@@]78CC[N@H+]7C/C(=C/CO)[C@@H]6C[C@H]78)C5=O)C[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@H]46 ZINC000049889426 562692081 /nfs/dbraw/zinc/69/20/81/562692081.db2.gz MMKIAHOGFMPKCT-YDBFCOOGSA-N 2 0 666.822 3.697 1 0 KHAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000049889514 562692186 /nfs/dbraw/zinc/69/21/86/562692186.db2.gz XAYFRJIEUZQYCM-LJAQVGFWSA-N 2 0 572.735 3.596 1 0 KHAFRP NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000049889515 562692187 /nfs/dbraw/zinc/69/21/87/562692187.db2.gz XAYFRJIEUZQYCM-GDLZYMKVSA-N 2 0 572.735 3.596 1 0 KHAFRP CC(C)Oc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000049889567 562692246 /nfs/dbraw/zinc/69/22/46/562692246.db2.gz FEFPMRFHQVSSQC-PMERELPUSA-N 2 0 591.778 3.902 1 0 KHAFRP CC(C)Oc1ccc(-c2cccc(S(=O)(=O)N[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CC[NH3+])CC3)c2)cc1 ZINC000049889568 562692244 /nfs/dbraw/zinc/69/22/44/562692244.db2.gz FEFPMRFHQVSSQC-SSEXGKCCSA-N 2 0 591.778 3.902 1 0 KHAFRP Cc1c(C[NH+]2CCCCC2)cccc1OCCCNc1nc(NCCc2ccc(O)cc2)nc(N2CC[NH2+]CC2)n1 ZINC000049917552 562693590 /nfs/dbraw/zinc/69/35/90/562693590.db2.gz XIHNCBPDIIZWOT-UHFFFAOYSA-N 2 0 560.747 3.817 1 0 KHAFRP O=C(Nc1ccc(C2=[NH+]CCN2)cc1)Nc1cc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)ccc1C(=O)Nc1ccc(C2=[NH+]CCN2)cc1 ZINC000049917699 562693774 /nfs/dbraw/zinc/69/37/74/562693774.db2.gz RQEYLGUWZPGHAI-UHFFFAOYSA-N 3 0 654.735 3.885 1 0 KHAFRP COC(=O)c1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([C@H](O)C[NH2+][C@@H](C)Cc3ccc(C(=O)OC)cc3)cc2)cc1 ZINC000049917985 562694252 /nfs/dbraw/zinc/69/42/52/562694252.db2.gz YLFKNBDKPBKJEJ-XVIYFPLKSA-N 2 0 548.680 3.768 1 0 KHAFRP C[NH+](C)CC(=O)NC[C@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049918089 562694424 /nfs/dbraw/zinc/69/44/24/562694424.db2.gz CZWFZGLAOMJUEE-NRFANRHFSA-N 2 0 579.337 3.864 1 0 KHAFRP C[NH+](C)CC(=O)NC[C@@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049918090 562694437 /nfs/dbraw/zinc/69/44/37/562694437.db2.gz CZWFZGLAOMJUEE-OAQYLSRUSA-N 2 0 579.337 3.864 1 0 KHAFRP Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=[NH2+])NCCC[NH3+])CC4)c3Cl)c2n1 ZINC000049938147 562695080 /nfs/dbraw/zinc/69/50/80/562695080.db2.gz VAKTVFGHQHJZDC-UHFFFAOYSA-N 2 0 650.633 3.503 1 0 KHAFRP Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)[C@H]([NH3+])Cc4cccnc4)c3SCC[NH3+])c2)c1SCC[NH3+] ZINC000049938263 562695168 /nfs/dbraw/zinc/69/51/68/562695168.db2.gz SARKAELUOKMNHF-XMMPIXPASA-N 3 0 644.827 3.779 1 0 KHAFRP C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000058512473 562698451 /nfs/dbraw/zinc/69/84/51/562698451.db2.gz VECXQDCLXMGFFX-NWLHHKGPSA-N 2 0 605.735 3.929 1 0 KHAFRP COc1cc2c(cc1OCCCCCC[NH+](C)C)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000058574814 562699581 /nfs/dbraw/zinc/69/95/81/562699581.db2.gz GNLRWJSPQSAOPT-UHFFFAOYSA-N 3 0 527.758 3.787 1 0 KHAFRP COc1cc2c(cc1OCCCCNC(=O)OC(C)(C)C)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000058623794 562701109 /nfs/dbraw/zinc/70/11/09/562701109.db2.gz ZLSPQJVMSJLXQQ-UHFFFAOYSA-N 2 0 571.767 3.970 1 0 KHAFRP CCC[NH+]1CCC(N2C[C@@H]([NH2+]C3CCN(CCc4ccccc4)CC3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000058626660 562701095 /nfs/dbraw/zinc/70/10/95/562701095.db2.gz FPPPFGQMLPQQNA-CDZUIXILSA-N 2 0 589.825 3.688 1 0 KHAFRP COc1cc2c(cc1OCCCCC[NH3+])nc(NCCC[NH+](C)C)nc2NC1CC[NH+](CCCCC[NH3+])CC1 ZINC000058633454 562701185 /nfs/dbraw/zinc/70/11/85/562701185.db2.gz DCGOBPRQIYFVOD-UHFFFAOYSA-N 4 0 544.789 3.515 1 0 in-vitro KHAFRP CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3cc(C)ccc3C)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000058655587 562701369 /nfs/dbraw/zinc/70/13/69/562701369.db2.gz IBBXIYWKUPFGRY-XCZPVHLTSA-N 2 0 520.718 3.798 1 0 KHAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc21 ZINC000064527478 562706931 /nfs/dbraw/zinc/70/69/31/562706931.db2.gz BKXZRLFPGYWHTM-LJAQVGFWSA-N 3 0 523.766 3.652 1 0 KHAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000064527479 562706978 /nfs/dbraw/zinc/70/69/78/562706978.db2.gz BSXAXDHXYFYFPY-BFBPZRSYSA-N 3 0 531.830 3.863 1 0 KHAFRP CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[N@@H+](C2CCCCC2)C[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000066076745 562710192 /nfs/dbraw/zinc/71/01/92/562710192.db2.gz YZBDJKDDJQURIV-DOUMQJFESA-N 2 0 561.771 3.616 1 0 KHAFRP CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[N@@H+](C2CCCCC2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000066076747 562710203 /nfs/dbraw/zinc/71/02/03/562710203.db2.gz YZBDJKDDJQURIV-GHPJVDHGSA-N 2 0 561.771 3.616 1 0 KHAFRP C[NH2+]CCCCNC(=O)COCC(=O)Nc1cccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000066111707 562711851 /nfs/dbraw/zinc/71/18/51/562711851.db2.gz IILASAHXLSSOON-HHHXNRCGSA-N 2 0 606.595 3.902 1 0 KHAFRP Cn1c2ccccc2c2c1CC[N@H+](C1CCN(C(=O)C3(F)CC[NH+](Cc4ccnc(N)c4)CC3)CC1)CC2 ZINC000068200748 562715921 /nfs/dbraw/zinc/71/59/21/562715921.db2.gz VBAGFAWQNDYXGA-UHFFFAOYSA-N 2 0 518.681 3.551 1 0 KHAFRP Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(C4CC[NH+](CCC[NH+](C)C)CC4)ccc3OC(F)(F)F)ncc1CC2 ZINC000071317162 562718145 /nfs/dbraw/zinc/71/81/45/562718145.db2.gz HNIOCCUDARXKTR-UHFFFAOYSA-N 2 0 572.636 3.848 1 0 KHAFRP c1cc(C[n+]2ccc(N3CCOCC3)cc2)ccc1CCc1ccc(C[n+]2ccc(N3CCOCC3)cc2)cc1 ZINC000071334432 562719597 /nfs/dbraw/zinc/71/95/97/562719597.db2.gz WCQVRACEXGUHNE-UHFFFAOYSA-N 2 0 536.720 3.817 1 0 KHAFRP OC(Cn1c[n+](Cc2cccc(Cl)c2)cn1)(Cn1c[n+](Cc2cccc(Cl)c2)cn1)c1ccc(F)cc1F ZINC000072104818 562720657 /nfs/dbraw/zinc/72/06/57/562720657.db2.gz GMRXTODZLHNGIJ-UHFFFAOYSA-N 2 0 557.432 3.924 1 0 KHAFRP OC(Cn1c[n+](Cc2ccccc2Cl)cn1)(Cn1c[n+](Cc2ccccc2Cl)cn1)c1ccc(F)cc1F ZINC000072104841 562720668 /nfs/dbraw/zinc/72/06/68/562720668.db2.gz CREHYSUPGKYVOT-UHFFFAOYSA-N 2 0 557.432 3.924 1 0 KHAFRP OC(Cn1c[n+](Cc2ccc(Cl)cc2)cn1)(Cn1c[n+](Cc2ccc(Cl)cc2)cn1)c1ccc(F)cc1F ZINC000072105253 562720773 /nfs/dbraw/zinc/72/07/73/562720773.db2.gz GQIMTTZPWPYCEL-UHFFFAOYSA-N 2 0 557.432 3.924 1 0 KHAFRP Cn1ccc2c3ccoc3c3c(c21)C(=O)N(CC[NH2+]CCC[NH2+]CCN1C(=O)c2c4occc4c4ccn(C)c4c2C1=O)C3=O ZINC000072113196 562722271 /nfs/dbraw/zinc/72/22/71/562722271.db2.gz DQFFTXJHNMYVCX-UHFFFAOYSA-N 2 0 606.639 3.624 1 0 KHAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072114802 562722835 /nfs/dbraw/zinc/72/28/35/562722835.db2.gz OGVKUDUEUSWORS-UHFFFAOYSA-N 3 0 539.769 3.930 1 0 KHAFRP O=C1C(c2ccco2)=C(c2cccs2)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)C(c2ccco2)=C(c2cccs2)C1=O ZINC000072116582 562723165 /nfs/dbraw/zinc/72/31/65/562723165.db2.gz JSUOACIXQMMDKB-UHFFFAOYSA-N 2 0 616.721 3.824 1 0 KHAFRP S=C(NCCC[NH2+]CCCCCC[NH2+]CCCNC(=S)NCc1ccccc1)NCc1ccccc1 ZINC000072120353 562724060 /nfs/dbraw/zinc/72/40/60/562724060.db2.gz BRVMEZRDZYMOLC-UHFFFAOYSA-N 2 0 528.836 3.835 1 0 KHAFRP COc1cc2c(cc1OCCOCC[NH+]1CCCC1)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072121503 562724296 /nfs/dbraw/zinc/72/42/96/562724296.db2.gz FOEIKTXMJLWETJ-UHFFFAOYSA-N 3 0 569.795 3.556 1 0 KHAFRP COc1cc2c(cc1OCCOCC[NH+]1CCCC1)nc(N1CCCCC1)nc2NC1CC[NH+](C)CC1 ZINC000072122036 562724312 /nfs/dbraw/zinc/72/43/12/562724312.db2.gz GFZRTYAWRPYPRN-UHFFFAOYSA-N 2 0 512.699 3.626 1 0 KHAFRP NC(=[NH2+])Nc1ccc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccc(NC(N)=[NH2+])cc2)C(=O)NCc2ccccc2)cc1 ZINC000072129915 562726582 /nfs/dbraw/zinc/72/65/82/562726582.db2.gz SGBUNANFYAIBCR-FSEITFBQSA-N 3 0 738.897 3.606 1 0 KHAFRP COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)C[NH3+])C(C)C)C(C)C)ccc1OC ZINC000072175710 562731376 /nfs/dbraw/zinc/73/13/76/562731376.db2.gz AVFVHEZORFHJLW-CQJMVLFOSA-N 2 0 537.786 3.767 1 0 KHAFRP [NH3+]CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000072177754 562731863 /nfs/dbraw/zinc/73/18/63/562731863.db2.gz VXQTWMIVXIBFIP-MHDHXZMLSA-N 2 0 608.743 3.604 1 0 KHAFRP O=C(CC[NH+]1CCCC1)Nc1cc2cc(NC(=O)CC[NH+]3CCCC3)cc3c2c(c1)C(=O)N(CCC[NH+]1CCCC1)C3=O ZINC000073170211 562734911 /nfs/dbraw/zinc/73/49/11/562734911.db2.gz RPKZWRVVBBCCQT-UHFFFAOYSA-N 3 0 588.753 3.771 1 0 KHAFRP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)N(C(=O)CCN2CC[NH+](C)CC2)CC3)CC1 ZINC000073198839 562735885 /nfs/dbraw/zinc/73/58/85/562735885.db2.gz YPLFYXYOKQRRAG-GNWHWUCQSA-N 2 0 529.773 3.572 1 0 KHAFRP CN1CC[NH+](C23C[C@H](c4ccccc4)C([C@@H](c4ccccc4)C2)N(C(=O)CCN2CC[NH+](C)CC2)CC3)CC1 ZINC000073198840 562735874 /nfs/dbraw/zinc/73/58/74/562735874.db2.gz YPLFYXYOKQRRAG-BLBFUENDSA-N 2 0 529.773 3.572 1 0 KHAFRP C[NH+]1CCC(N2CCN(c3nc(NCCc4ccc(F)cc4)[nH+]c(NCCc4ccc(F)cc4)n3)CC2)CC1 ZINC000073200433 562736136 /nfs/dbraw/zinc/73/61/36/562736136.db2.gz SAZMDTXHGDRZHC-UHFFFAOYSA-N 2 0 536.675 3.675 1 0 KHAFRP O=C(CC[NH+]1CCCC1)Nc1cc2cc(NC(=O)CC[NH+]3CCCC3)cc3c2c(c1)C(=O)N(CC[NH+]1CCCCC1)C3=O ZINC000073390331 562738628 /nfs/dbraw/zinc/73/86/28/562738628.db2.gz KVZGOTOFERCCFB-UHFFFAOYSA-N 3 0 588.753 3.771 1 0 KHAFRP [NH3+]CCN1CCN(c2nc(NCCc3ccc(Cl)cc3)[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1 ZINC000082153539 562740226 /nfs/dbraw/zinc/74/02/26/562740226.db2.gz GXLWKHKZDXOSPZ-UHFFFAOYSA-N 2 0 515.493 3.568 1 0 KHAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC5)CCOCC4)c3Cl)c2n1 ZINC000082178765 562741823 /nfs/dbraw/zinc/74/18/23/562741823.db2.gz TVEQPXYOAXUEOG-MHZLTWQESA-N 2 0 735.735 3.692 1 0 KHAFRP 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+]2CC1CC1)[C@@H]5O4 ZINC000084544150 562743286 /nfs/dbraw/zinc/74/32/86/562743286.db2.gz APSUXPSYBJVPPS-IAKFOTRASA-N 2 0 661.799 3.824 1 0 KHAFRP O=C(C[C@H]([NH2+]Cc1ccc2n[nH]cc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084618932 562745174 /nfs/dbraw/zinc/74/51/74/562745174.db2.gz ZJTUGHFBQAMQEE-YTTGMZPUSA-N 2 0 626.806 3.927 1 0 KHAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCN(S(C)(=O)=O)CC1 ZINC000084632213 562745497 /nfs/dbraw/zinc/74/54/97/562745497.db2.gz DZCIIANMVNXADX-LOYHVIPDSA-N 2 0 644.282 3.586 1 0 KHAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCN(S(C)(=O)=O)CC1 ZINC000084632215 562745491 /nfs/dbraw/zinc/74/54/91/562745491.db2.gz DZCIIANMVNXADX-XZWHSSHBSA-N 2 0 644.282 3.586 1 0 KHAFRP CSc1ccccc1Nc1nc(N2CCN(C3CC[NH2+]CC3)CC2)nc2c(NCC3CC3)ncnc12 ZINC000084654286 562747227 /nfs/dbraw/zinc/74/72/27/562747227.db2.gz QEMQWMRZJAAQSZ-UHFFFAOYSA-N 2 0 505.696 3.581 1 0 KHAFRP CCC[N@@H+]1CCC[C@@]12CCN([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(C)C)c1)C2=O ZINC000084671088 562748450 /nfs/dbraw/zinc/74/84/50/562748450.db2.gz MOXAMLWWFJKUEH-XGZLTPBASA-N 2 0 548.772 3.853 1 0 in-vitro KHAFRP CCCCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCCC)cc(C4=[NH+]CCN4)c3)cc2)cc(C2=[NH+]CCN2)c1 ZINC000084704430 562749837 /nfs/dbraw/zinc/74/98/37/562749837.db2.gz HXOFGIPPTKAIMB-UHFFFAOYSA-N 2 0 650.784 3.951 1 0 KHAFRP O=C(NCc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084727601 562751413 /nfs/dbraw/zinc/75/14/13/562751413.db2.gz VNYJYVUPAUNDON-CCDWMCETSA-N 2 0 529.512 3.958 1 0 KHAFRP O=C(NCc1ccc(Cl)cc1Cl)[C@H]1C[N@H+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084727605 562751390 /nfs/dbraw/zinc/75/13/90/562751390.db2.gz VNYJYVUPAUNDON-DSNGMDLFSA-N 2 0 529.512 3.958 1 0 KHAFRP CC[NH+](CC)CCCn1c(Sc2ccnc(N3CCN(c4cc[nH+]cc4)CC3)n2)nnc1-c1ccco1 ZINC000084733774 562751908 /nfs/dbraw/zinc/75/19/08/562751908.db2.gz SASSQZWDXODDIU-UHFFFAOYSA-N 2 0 519.679 3.933 1 0 KHAFRP CC[NH+](CC)CCCn1c(Sc2ccnc(N3CCN(c4cc[nH+]cc4)CC3)n2)nnc1-c1ccccn1 ZINC000084739672 562751991 /nfs/dbraw/zinc/75/19/91/562751991.db2.gz NNEGPFUPOXKLGT-UHFFFAOYSA-N 2 0 530.706 3.735 1 0 KHAFRP O=C(C[NH+]1CCCC1)Nc1cc2c3cc(NC(=O)C[NH+]4CCCC4)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084757348 562752367 /nfs/dbraw/zinc/75/23/67/562752367.db2.gz DCHMMCQUDMCURW-UHFFFAOYSA-N 2 0 551.655 3.761 1 0 KHAFRP C[C@@H]1[NH2+][C@H](CC[C@H]2CCC[C@@H](CO)CC[C@@](O)(CC(=O)[O-])C[NH2+][C@]3(C)CC[NH2+][C@@H](Cc4cccc(c4)C2)C3)CC[C@H]1O ZINC000085488037 560075832 /nfs/dbraw/zinc/07/58/32/560075832.db2.gz HUUZOSLPSFNGFC-GNPXBTAWSA-N 2 0 587.846 3.548 1 0 biogenic,in-vitro KHAFRP C[NH2+]C[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@H](C)[C@H](CO)[NH2+]C)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O ZINC000085547377 565141285 /nfs/dbraw/zinc/14/12/85/565141285.db2.gz YQIYSDNENIVBIR-WEQDOYIZSA-N 2 0 545.853 3.828 1 0 biogenic,in-vitro KHAFRP Nc1[nH]c([C@H]2c3[nH]c(N)[nH+]c3C[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1 ZINC000085566676 562753276 /nfs/dbraw/zinc/75/32/76/562753276.db2.gz VOGBZMFIZJPYAJ-PISXGGPESA-N 2 0 778.102 3.784 1 0 KHAFRP CC[NH2+]COc1cc(OC)c2c3c1[C@H](C[NH2+]C)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OCCCO)c1)CO4 ZINC000085567511 291807840 /nfs/dbraw/zinc/80/78/40/291807840.db2.gz MCFUMNQTMLQIIG-XQAQSKLSSA-N 2 0 621.731 3.778 1 0 biogenic,in-vitro KHAFRP CC[NH2+]COc1cc(OCC[NH2+]C)c2c3c1[C@H](C[NH2+]C)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567518 565142883 /nfs/dbraw/zinc/14/28/83/565142883.db2.gz RQAXOEZQZQWKJE-XQAQSKLSSA-N 3 0 620.747 3.615 1 0 biogenic,in-vitro KHAFRP CC[NH2+][C@H](CCc1cc[nH+]c(N)c1)[C@H](CCO)Oc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@H]2CCO)cc(OC)c1O ZINC000085596597 565155965 /nfs/dbraw/zinc/15/59/65/565155965.db2.gz TUJVLTMEQUFNKW-XQICELDUSA-N 2 0 669.816 3.655 1 0 biogenic,in-vitro KHAFRP CC[NH2+][C@H](CCc1cc[nH+]c(N)c1)COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@H]2CCO)cc(OC)c1O ZINC000085596613 565155974 /nfs/dbraw/zinc/15/59/74/565155974.db2.gz HFNDMKBPXGWRKB-FRTXDDIRSA-N 2 0 625.763 3.904 1 0 biogenic,in-vitro KHAFRP CC[NH2+][C@H](CCc1cc[nH+]c(N)c1)COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC)c1O ZINC000085596618 560063341 /nfs/dbraw/zinc/06/33/41/560063341.db2.gz LAKVCKDIQVBGSZ-AQCTUAEDSA-N 2 0 597.709 3.616 1 0 biogenic,in-vitro KHAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32 ZINC000094313263 562753700 /nfs/dbraw/zinc/75/37/00/562753700.db2.gz JXLYSJRDGCGARV-SSFPKTLXSA-N 2 0 810.989 3.991 1 0 KHAFRP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@H+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)C[C@H]5CC[NH+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1 ZINC000095535766 562753809 /nfs/dbraw/zinc/75/38/09/562753809.db2.gz SCPIROZFVJWUFE-LLSOSBHTSA-N 2 0 746.905 3.671 1 0 KHAFRP COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CCCOc1ccc2ccccc2c1-c1c(OCCCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)OC)ccc2ccccc21 ZINC000095536852 562754199 /nfs/dbraw/zinc/75/41/99/562754199.db2.gz AWTSPGKCMGYBFD-ROJLCIKYSA-N 2 0 798.942 3.820 1 0 KHAFRP [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc2ccccc2)[C@H]([NH3+])[C@@H](OC(=O)Nc2ccccc2)[C@@H]1OC(=O)Nc1ccccc1 ZINC000095538261 562754652 /nfs/dbraw/zinc/75/46/52/562754652.db2.gz YJNWOEQXMSFBIK-VLHGFHOQSA-N 4 0 798.854 3.910 1 0 KHAFRP Nc1[nH]c([C@@H]2c3[nH]c(N)[nH+]c3C[C@H](CNC(=O)c3[nH]cc(Br)c3Br)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1 ZINC000095539518 562755081 /nfs/dbraw/zinc/75/50/81/562755081.db2.gz GJJKGKKNMPQKHM-WFEFGEHDSA-N 2 0 778.102 3.784 1 0 KHAFRP Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)[NH+](CC2CCC2)CC[C@]315)O[C@@H]1N2[C@H](CO[C@H]24)O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@H+]3CC1CCC1)[C@H]2O5 ZINC000095539805 562755291 /nfs/dbraw/zinc/75/52/91/562755291.db2.gz ASVHGPALAUWBSH-XSCFRSCTSA-N 2 0 793.958 3.555 1 0 KHAFRP CC(C)[C@H]([NH3+])C(=O)O[C@H](C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000095539874 562755363 /nfs/dbraw/zinc/75/53/63/562755363.db2.gz SVMMFLCFDOEXLB-PGKJHWCZSA-N 2 0 769.988 3.627 1 0 KHAFRP NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)OCC34CC5CC(C3)CC(COC(=O)N3CCN(C(=O)NCc6ccc(NC(N)=[NH2+])cc6)CC3)(C5)C4)CC2)cc1 ZINC000095541796 562756346 /nfs/dbraw/zinc/75/63/46/562756346.db2.gz ANCMGNKVWBLMLM-UHFFFAOYSA-N 2 0 800.966 3.512 1 0 KHAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000095543060 562757063 /nfs/dbraw/zinc/75/70/63/562757063.db2.gz IKHVFEMXTMVXNG-XRWGFLTKSA-N 2 0 617.238 3.689 1 0 KHAFRP C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000095543062 562757039 /nfs/dbraw/zinc/75/70/39/562757039.db2.gz IKHVFEMXTMVXNG-AXODZLKTSA-N 2 0 617.238 3.689 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000095543136 562757107 /nfs/dbraw/zinc/75/71/07/562757107.db2.gz JSRJJBASKHLXAZ-QSJDGAHRSA-N 2 0 788.990 3.691 1 0 in-vivo KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000095543137 562757125 /nfs/dbraw/zinc/75/71/25/562757125.db2.gz JSRJJBASKHLXAZ-IWWWZYECSA-N 2 0 788.990 3.691 1 0 in-vivo KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000095543138 562757088 /nfs/dbraw/zinc/75/70/88/562757088.db2.gz JSRJJBASKHLXAZ-ATUXXYJQSA-N 2 0 788.990 3.691 1 0 in-vivo KHAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000095546222 562758398 /nfs/dbraw/zinc/75/83/98/562758398.db2.gz JXLYSJRDGCGARV-FQWHORIBSA-N 2 0 810.989 3.991 1 0 KHAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000095546223 562758405 /nfs/dbraw/zinc/75/84/05/562758405.db2.gz JXLYSJRDGCGARV-MULGQPSZSA-N 2 0 810.989 3.991 1 0 KHAFRP CN(C)C(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCN(C(=O)c6cc7cc(C(=[NH2+])N(C)C)ccc7o6)CC5)cc4)CC3)cc2c1 ZINC000095546313 562758442 /nfs/dbraw/zinc/75/84/42/562758442.db2.gz ZQDOVZDBJVFYDA-UHFFFAOYSA-N 2 0 790.878 3.680 1 0 KHAFRP CC[C@@]12C=CC[NH+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@H]1C(=O)OC)[C@@H]32 ZINC000095546544 562758546 /nfs/dbraw/zinc/75/85/46/562758546.db2.gz SLIRURSWQCRWFG-QIROGMKMSA-N 2 0 810.989 3.848 1 0 KHAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCC[NH+](C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000095550215 562760054 /nfs/dbraw/zinc/76/00/54/562760054.db2.gz NJIWJDHSBQGIEG-NDEPHWFRSA-N 2 0 749.762 3.905 1 0 KHAFRP CN1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)CC1 ZINC000095562373 562763671 /nfs/dbraw/zinc/76/36/71/562763671.db2.gz MLSPZNRSNWZEIG-UHFFFAOYSA-N 2 0 510.086 3.890 1 0 KHAFRP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)C[NH2+]CCN2CCCC2)nc2ccccc21 ZINC000095563094 562763871 /nfs/dbraw/zinc/76/38/71/562763871.db2.gz FXNDORCLKAQFDY-UHFFFAOYSA-N 2 0 510.086 3.938 1 0 KHAFRP COc1ccc(CCNC(=O)NC[C@@H](Cc2ccccc2)[NH2+][C@@H](CCCC[NH3+])C(=O)NCc2ccccc2)cc1 ZINC000095566201 562764818 /nfs/dbraw/zinc/76/48/18/562764818.db2.gz WRMMGHLYUVXPGH-DGPALRBDSA-N 2 0 545.728 3.552 1 0 KHAFRP COc1ccc(CCNC(=O)NC[C@H](Cc2ccccc2)[NH2+][C@@H](CCCC[NH3+])C(=O)NCc2ccccc2)cc1 ZINC000095566202 562764824 /nfs/dbraw/zinc/76/48/24/562764824.db2.gz WRMMGHLYUVXPGH-JDXGNMNLSA-N 2 0 545.728 3.552 1 0 KHAFRP [NH3+]CCCC[C@H]([NH2+][C@@H](CNC(=O)NCCc1ccc(F)cc1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095566203 562764816 /nfs/dbraw/zinc/76/48/16/562764816.db2.gz KOZBPNJWPKCULV-WDYNHAJCSA-N 2 0 533.692 3.682 1 0 KHAFRP [NH3+]CCCC[C@H]([NH2+][C@H](CNC(=O)NCCc1ccc(F)cc1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095566204 562764814 /nfs/dbraw/zinc/76/48/14/562764814.db2.gz KOZBPNJWPKCULV-VMPREFPWSA-N 2 0 533.692 3.682 1 0 KHAFRP CC(C)(C)c1ccc(CC(CNC(N)=[NH2+])(Cc2ccc(C(C)(C)C)cc2)C(=O)NCCCNC(N)=[NH2+])cc1 ZINC000095578327 562771196 /nfs/dbraw/zinc/77/11/96/562771196.db2.gz PUACQFOTGFOYHI-UHFFFAOYSA-N 2 0 521.754 3.526 1 0 KHAFRP [NH3+]CCCN(CCC[NH3+])C(=O)COc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095584808 562773368 /nfs/dbraw/zinc/77/33/68/562773368.db2.gz PNHYIRSEIOWBEV-UHFFFAOYSA-N 2 0 575.526 3.972 1 0 KHAFRP COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000095587109 562774210 /nfs/dbraw/zinc/77/42/10/562774210.db2.gz ULYJWUJQIYHUFF-FAQZDJIUSA-N 2 0 562.667 3.988 1 0 KHAFRP Cc1c(CCO)sc[n+]1CCOc1ccc(Cc2ccc(OCC[n+]3csc(CCO)c3C)cc2)cc1 ZINC000095597565 562777256 /nfs/dbraw/zinc/77/72/56/562777256.db2.gz XLRWPEXISTVUEZ-UHFFFAOYSA-N 2 0 540.751 3.820 1 0 KHAFRP CC[C@]12CC[N@@H+]3CC[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)[C@@H]1OC(C)=O)[C@@H]32 ZINC000095598269 562777369 /nfs/dbraw/zinc/77/73/69/562777369.db2.gz UEXQGGOPJXHVLZ-ICJOCJBCSA-N 2 0 798.978 3.825 1 0 KHAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(C(=O)NCCCCCNC(=O)C2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3O)CC2)CC1 ZINC000095606738 562782364 /nfs/dbraw/zinc/78/23/64/562782364.db2.gz VHXYICZNKDKDIZ-UHFFFAOYSA-N 2 0 765.736 3.713 1 0 KHAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CNC(=O)CCC(=O)NCC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000095606749 562782354 /nfs/dbraw/zinc/78/23/54/562782354.db2.gz YYYYKGQJCSSGFI-UHFFFAOYSA-N 2 0 765.736 3.625 1 0 KHAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(C(=O)NCCCCCC(=O)NC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3O)CC2)CC1 ZINC000095606753 562782356 /nfs/dbraw/zinc/78/23/56/562782356.db2.gz TWXIDPPPWYWJJM-UHFFFAOYSA-N 2 0 765.736 3.855 1 0 KHAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])CC5)CCCC4)c3Cl)c2n1 ZINC000095608044 562783306 /nfs/dbraw/zinc/78/33/06/562783306.db2.gz COEYQHHSXLKKSG-DEOSSOPVSA-N 2 0 761.777 3.980 1 0 KHAFRP NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CC[NH2+]CC1 ZINC000095610810 562784597 /nfs/dbraw/zinc/78/45/97/562784597.db2.gz JAWOEBYWOJFJIK-ATUXXYJQSA-N 2 0 798.001 3.574 1 0 KHAFRP CC[C@]12C=CC[NH+]3CC[C@]4(c5cc([C@@H]6[C@H]7Nc8ccccc8[C@H]7CC[N@H+]7C[C@@H](CC[C@@]7(O)CC)[C@@H]6C(=O)OC)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@H]32 ZINC000095612328 562785415 /nfs/dbraw/zinc/78/54/15/562785415.db2.gz WHJYUNYXJXPHHC-AMJJGTEISA-N 2 0 770.968 3.736 1 0 KHAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCCCNC(N)=[NH2+])CC5)CCCC4)c3Cl)c2n1 ZINC000095612699 562785780 /nfs/dbraw/zinc/78/57/80/562785780.db2.gz MQJJTDDIAHSQGU-MHZLTWQESA-N 2 0 761.777 3.980 1 0 KHAFRP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@H+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)O[C@H]5CC[NH+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@H]47)[C@@H]56)[C@H]2O)C1 ZINC000095615605 562787404 /nfs/dbraw/zinc/78/74/04/562787404.db2.gz YPRWDJLQPBDJAW-HHVNBPBNSA-N 2 0 732.878 3.687 1 0 KHAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)c(N)c3)cc2)c1 ZINC000095891245 562790250 /nfs/dbraw/zinc/79/02/50/562790250.db2.gz VOIGQQMJPFTGMP-UHFFFAOYSA-P 2 0 601.667 3.927 1 0 KHAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)c(N)c4)cc3N)cc2)c1 ZINC000095891264 562790243 /nfs/dbraw/zinc/79/02/43/562790243.db2.gz QUSWLNUQSRABAM-UHFFFAOYSA-P 2 0 616.682 3.509 1 0 KHAFRP Cc1nc(-c2ccccn2)nc(NC[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)c2ccccc2)c1Cl ZINC000096271238 562793770 /nfs/dbraw/zinc/79/37/70/562793770.db2.gz VQYSQNYVEHPJPL-VWLOTQADSA-N 2 0 524.113 3.633 1 0 KHAFRP O=C(c1c(F)c(F)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c(F)c1F)N1CCC([NH+]2CCCC2)CC1 ZINC000096284327 562795126 /nfs/dbraw/zinc/79/51/26/562795126.db2.gz FXJZBQCICDTLDO-UHFFFAOYSA-N 2 0 510.576 3.644 1 0 KHAFRP O=C(c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(Br)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000096284330 562795127 /nfs/dbraw/zinc/79/51/27/562795127.db2.gz NONWCDXEYNQQEC-UHFFFAOYSA-N 2 0 517.512 3.850 1 0 KHAFRP O=C(c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000096284373 562795135 /nfs/dbraw/zinc/79/51/35/562795135.db2.gz OBTXWVRLLMDZSD-UHFFFAOYSA-N 3 0 618.867 3.788 1 0 KHAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCOCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000096285775 562795901 /nfs/dbraw/zinc/79/59/01/562795901.db2.gz GULCRKOHLZMXBC-UHFFFAOYSA-N 2 0 512.699 3.624 1 0 KHAFRP C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000096306983 562796324 /nfs/dbraw/zinc/79/63/24/562796324.db2.gz DHZMSCBRESVQNW-JDNBVNQFSA-N 2 0 629.249 3.615 1 0 KHAFRP Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]51[C@@]4(O)C3)C[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[NH+]3CC1CC1)[C@H]2O5 ZINC000096900234 562796822 /nfs/dbraw/zinc/79/68/22/562796822.db2.gz DKIVQMBUHVYDFC-HIYKRWDRSA-N 2 0 675.826 3.835 1 0 KHAFRP Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]51[C@]4(O)C3)C[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[NH+]3CC1CC1)[C@H]2O5 ZINC000096900235 562796808 /nfs/dbraw/zinc/79/68/08/562796808.db2.gz DKIVQMBUHVYDFC-ZQWXFRBHSA-N 2 0 675.826 3.835 1 0 KHAFRP C[NH+]1CCC2=C[C@H](OC(=O)c3cccc(C(=O)O[C@H]4C=C5CC[N@@H+](C)[C@H]5[C@@H]5c6cc7c(cc6C(=O)O[C@H]45)OCO7)n3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096909168 562799502 /nfs/dbraw/zinc/79/95/02/562799502.db2.gz GYLPOHODWNCELH-PYAAGRFVSA-N 2 0 761.740 3.524 1 0 KHAFRP C[NH+]1CCC2=C[C@H](OC(=O)CCCCC(=O)O[C@H]3C=C4CC[N@@H+](C)[C@H]4[C@@H]4c5cc6c(cc5C(=O)O[C@H]34)OCO6)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096909170 562799526 /nfs/dbraw/zinc/79/95/26/562799526.db2.gz XPTCPDIWNOTYRH-DSMWBQTKSA-N 2 0 740.762 3.762 1 0 KHAFRP Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)OCc1ccccc1 ZINC000096909427 562799617 /nfs/dbraw/zinc/79/96/17/562799617.db2.gz WOHHPZGIVAEXCY-ZDCRTTOTSA-N 2 0 701.865 3.795 1 0 KHAFRP CC[NH+](CC)C[C@@H](O)COc1ccc2c(c1)occ(-c1ccc(OC[C@@H](O)C[NH+](CC)CC)cc1)c2=O ZINC000096924085 562802273 /nfs/dbraw/zinc/80/22/73/562802273.db2.gz MNKPMNNJDLHHPI-XZOQPEGZSA-N 2 0 512.647 3.623 1 0 KHAFRP CC[NH+](CC)C[C@@H](O)COc1ccc(-c2coc3cc(OC[C@H](O)C[NH+](CC)CC)ccc3c2=O)cc1 ZINC000096924086 562802278 /nfs/dbraw/zinc/80/22/78/562802278.db2.gz MNKPMNNJDLHHPI-DHIUTWEWSA-N 2 0 512.647 3.623 1 0 KHAFRP CC[NH+](CC)C[C@H](O)COc1ccc(-c2coc3cc(OC[C@@H](O)C[NH+](CC)CC)ccc3c2=O)cc1 ZINC000096924087 562802238 /nfs/dbraw/zinc/80/22/38/562802238.db2.gz MNKPMNNJDLHHPI-GOTSBHOMSA-N 2 0 512.647 3.623 1 0 KHAFRP CC[NH+](CC)C[C@@H](O)COc1ccc(-c2coc3cc(OC[C@@H](O)C[NH+](CC)CC)ccc3c2=O)cc1 ZINC000096924088 562802255 /nfs/dbraw/zinc/80/22/55/562802255.db2.gz MNKPMNNJDLHHPI-PKTZIBPZSA-N 2 0 512.647 3.623 1 0 KHAFRP O=c1c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2occ1-c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000096924093 562802257 /nfs/dbraw/zinc/80/22/57/562802257.db2.gz BZYPGJBNCXBDIW-JWQCQUIFSA-N 2 0 536.669 3.911 1 0 KHAFRP O=c1c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2occ1-c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000096924094 562802246 /nfs/dbraw/zinc/80/22/46/562802246.db2.gz BZYPGJBNCXBDIW-RPBOFIJWSA-N 2 0 536.669 3.911 1 0 KHAFRP O=c1c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2occ1-c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000096924095 562802252 /nfs/dbraw/zinc/80/22/52/562802252.db2.gz BZYPGJBNCXBDIW-LOSJGSFVSA-N 2 0 536.669 3.911 1 0 KHAFRP O=c1c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2occ1-c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000096924096 562802235 /nfs/dbraw/zinc/80/22/35/562802235.db2.gz BZYPGJBNCXBDIW-DQEYMECFSA-N 2 0 536.669 3.911 1 0 KHAFRP [NH3+]CCCOc1cccc(-n2cc(-c3cccc(-c4cn(-c5cccc(OCCC[NH3+])c5)nn4)c3)nn2)c1 ZINC000096933240 562803574 /nfs/dbraw/zinc/80/35/74/562803574.db2.gz GAMHBXYJUBQWQK-UHFFFAOYSA-N 2 0 510.602 3.637 1 0 KHAFRP [NH3+]CCCOc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cc(OCCC[NH3+])c(OCCC[NH3+])c(OCCC[NH3+])c6)nn5)cc4c3)nn2)cc1OCCC[NH3+] ZINC000096933245 562803551 /nfs/dbraw/zinc/80/35/51/562803551.db2.gz GEAAMYFNKWHATF-UHFFFAOYSA-N 5 0 779.947 3.973 1 0 KHAFRP COc1ccc2cc3[n+](cc2c1OCCOCCOCC[NH+]1CCCCC1)CCc1cc2c(cc1-3)OCO2 ZINC000096934147 562803774 /nfs/dbraw/zinc/80/37/74/562803774.db2.gz MWGCHAOCAKQRJN-UHFFFAOYSA-N 2 0 521.634 3.986 1 0 KHAFRP CO[C@@H]1[C@H](C[NH2+]CCCCCCCCCCCC[NH2+]C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000098085017 562805763 /nfs/dbraw/zinc/80/57/63/562805763.db2.gz FYHVXCHORCBXTP-KHFCRRTKSA-N 2 0 572.784 3.849 1 0 KHAFRP O=C([C@@H]1CCC[NH+](Cc2ccccc2F)C1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000103294761 562824476 /nfs/dbraw/zinc/82/44/76/562824476.db2.gz OZNOHGAKPUVTAK-WMPKNSHKSA-N 2 0 524.656 3.760 1 0 KHAFRP O=C([C@@H]1CCC[NH+](Cc2ccccc2F)C1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000103294764 562824442 /nfs/dbraw/zinc/82/44/42/562824442.db2.gz OZNOHGAKPUVTAK-CLJLJLNGSA-N 2 0 524.656 3.760 1 0 KHAFRP [NH3+]CCCCOc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 ZINC000114564929 562828320 /nfs/dbraw/zinc/82/83/20/562828320.db2.gz OIDYEIRWMIDJOH-MHZLTWQESA-N 2 0 502.615 3.961 1 0 KHAFRP O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)C1CC[NH2+]CC1 ZINC000114978674 562828564 /nfs/dbraw/zinc/82/85/64/562828564.db2.gz QAWQGDMSHQFWNF-RUZDIDTESA-N 2 0 504.096 3.699 1 0 KHAFRP O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)C1CC[NH2+]CC1 ZINC000114978676 562828566 /nfs/dbraw/zinc/82/85/66/562828566.db2.gz QAWQGDMSHQFWNF-VWLOTQADSA-N 2 0 504.096 3.699 1 0 KHAFRP C[NH+](C)CCNS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114978913 562828582 /nfs/dbraw/zinc/82/85/82/562828582.db2.gz YGMISHUULIENHT-VWLOTQADSA-N 2 0 506.112 3.899 1 0 KHAFRP C[NH+](C)CCNS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114978915 562828572 /nfs/dbraw/zinc/82/85/72/562828572.db2.gz YGMISHUULIENHT-RUZDIDTESA-N 2 0 506.112 3.899 1 0 KHAFRP CC(C)[NH2+]CCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980321 562828637 /nfs/dbraw/zinc/82/86/37/562828637.db2.gz PWYASOVTWYAJMU-VWLOTQADSA-N 2 0 506.112 3.945 1 0 KHAFRP CC(C)[NH2+]CCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980323 562828661 /nfs/dbraw/zinc/82/86/61/562828661.db2.gz PWYASOVTWYAJMU-RUZDIDTESA-N 2 0 506.112 3.945 1 0 KHAFRP O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000114981430 562828677 /nfs/dbraw/zinc/82/86/77/562828677.db2.gz ODFQJLPCXCOLLD-ILBGXUMGSA-N 2 0 504.096 3.699 1 0 KHAFRP O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000114981432 562828711 /nfs/dbraw/zinc/82/87/11/562828711.db2.gz ODFQJLPCXCOLLD-NOZRDPDXSA-N 2 0 504.096 3.699 1 0 KHAFRP O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000114981434 562828700 /nfs/dbraw/zinc/82/87/00/562828700.db2.gz ODFQJLPCXCOLLD-UKILVPOCSA-N 2 0 504.096 3.699 1 0 KHAFRP O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000114981436 562828704 /nfs/dbraw/zinc/82/87/04/562828704.db2.gz ODFQJLPCXCOLLD-ZCYQVOJMSA-N 2 0 504.096 3.699 1 0 KHAFRP Cc1nc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)cc(N2CCN(CCO)CC2)n1 ZINC000116145895 562829255 /nfs/dbraw/zinc/82/92/55/562829255.db2.gz YIPCBIDKXZCJQU-UHFFFAOYSA-N 2 0 554.577 3.565 1 0 KHAFRP CC[NH2+]CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117347758 562829779 /nfs/dbraw/zinc/82/97/79/562829779.db2.gz OPQOHHWHGHUXEY-VWLOTQADSA-N 2 0 506.112 3.947 1 0 KHAFRP CC[NH2+]CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117347761 562829776 /nfs/dbraw/zinc/82/97/76/562829776.db2.gz OPQOHHWHGHUXEY-RUZDIDTESA-N 2 0 506.112 3.947 1 0 KHAFRP C[NH+](C)CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117358962 562829782 /nfs/dbraw/zinc/82/97/82/562829782.db2.gz DIKJJDYLJPVLBA-VWLOTQADSA-N 2 0 506.112 3.899 1 0 KHAFRP C[NH+](C)CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117358965 562829784 /nfs/dbraw/zinc/82/97/84/562829784.db2.gz DIKJJDYLJPVLBA-RUZDIDTESA-N 2 0 506.112 3.899 1 0 KHAFRP CCOC(=O)[C@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(=[NH2+])CC)CC2)cc1 ZINC000140579796 562833169 /nfs/dbraw/zinc/83/31/69/562833169.db2.gz ZYGUBTLYWPNVMP-AREMUKBSSA-N 2 0 507.635 3.852 1 0 KHAFRP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc12 ZINC000140592833 562833162 /nfs/dbraw/zinc/83/31/62/562833162.db2.gz DKFOUYOFOAWWSG-UHFFFAOYSA-N 2 0 612.787 3.791 1 0 KHAFRP O[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@@H](O)CN7)cc6o5)s4)[nH]c3c2)=[NH+]C1 ZINC000143822707 562835301 /nfs/dbraw/zinc/83/53/01/562835301.db2.gz WUQIXCLDJBCEMF-UHFFFAOYSA-N 2 0 511.607 3.731 1 0 KHAFRP O[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@@H](O)CN7)cc6o5)cc4)[nH]c3c2)=[NH+]C1 ZINC000143831368 562835343 /nfs/dbraw/zinc/83/53/43/562835343.db2.gz INKJKUYFZNDHGU-UHFFFAOYSA-N 2 0 505.578 3.670 1 0 KHAFRP C[NH+]1CCC(C[NH+]2CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)CC2)CC1 ZINC000144220622 562835998 /nfs/dbraw/zinc/83/59/98/562835998.db2.gz SWGUHMRLTKLIMS-UHFFFAOYSA-N 2 0 510.646 3.863 1 0 KHAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)C[N@@H+]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000144521721 562836365 /nfs/dbraw/zinc/83/63/65/562836365.db2.gz BAFJGFAIIOXZDU-ZPPRXTSMSA-N 2 0 621.581 3.817 1 0 KHAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)C[NH3+])[C@H](c2cccc(Cl)c2)[C@]12c1cc(F)c(Cl)cc1NC2=O ZINC000145690528 562837522 /nfs/dbraw/zinc/83/75/22/562837522.db2.gz CHOOPCQVUSZOHF-NVHWNKAKSA-N 2 0 551.490 3.709 1 0 KHAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCN2CC[NH2+]CC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000145991854 562837872 /nfs/dbraw/zinc/83/78/72/562837872.db2.gz WZGWWFXVTPXVTC-ZTVFFDQVSA-N 2 0 576.544 3.904 1 0 KHAFRP C[NH+](C)C1CC[NH+](CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)CC1 ZINC000146470884 562838638 /nfs/dbraw/zinc/83/86/38/562838638.db2.gz MKYOWSAWQXJQOW-QHCPKHFHSA-N 2 0 547.773 3.912 1 0 KHAFRP C[NH+](C)C1CC[NH+](CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)CC1 ZINC000146471087 562838627 /nfs/dbraw/zinc/83/86/27/562838627.db2.gz MKYOWSAWQXJQOW-HSZRJFAPSA-N 2 0 547.773 3.912 1 0 KHAFRP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)nc3)cc(N(C)C3CC[NH2+]CC3)c2C)c(=O)[nH]1 ZINC000147081081 562839137 /nfs/dbraw/zinc/83/91/37/562839137.db2.gz CNMYBGGPQLMJRW-UHFFFAOYSA-N 2 0 516.690 3.542 1 0 KHAFRP COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000148459990 562841423 /nfs/dbraw/zinc/84/14/23/562841423.db2.gz ZCKUZYXKPTWCGK-IBGZPJMESA-N 2 0 536.599 3.935 1 0 KHAFRP COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@H]2CCCC[N@@H+]2C)n1 ZINC000148460211 562841405 /nfs/dbraw/zinc/84/14/05/562841405.db2.gz ZCKUZYXKPTWCGK-LJQANCHMSA-N 2 0 536.599 3.935 1 0 KHAFRP COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(O[C@@H]2CCC[N@H+](C)C2)n1 ZINC000148460561 562841401 /nfs/dbraw/zinc/84/14/01/562841401.db2.gz JGBKEMZDTUHFHD-GOSISDBHSA-N 2 0 522.572 3.545 1 0 KHAFRP COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(O[C@H]2CCC[N@H+](C)C2)n1 ZINC000148460756 562841436 /nfs/dbraw/zinc/84/14/36/562841436.db2.gz JGBKEMZDTUHFHD-SFHVURJKSA-N 2 0 522.572 3.545 1 0 KHAFRP [NH3+]CCCCCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149179139 562842380 /nfs/dbraw/zinc/84/23/80/562842380.db2.gz VUFOAJNCCLDYIJ-UHFFFAOYSA-N 2 0 564.662 3.807 1 0 KHAFRP COc1cccnc1N1CCC(NC(=O)c2cc3cccc(N4CC[NH+](CCc5ccccn5)CC4)c3o2)CC1 ZINC000150004092 562842814 /nfs/dbraw/zinc/84/28/14/562842814.db2.gz NUIGHKXXFRPUQF-UHFFFAOYSA-N 2 0 540.668 3.995 1 0 KHAFRP COc1cccc(C(=[NH2+])Nc2cc(C(=O)NC3=CN(C)[C@H](C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s4)C3)n(C)c2)c1 ZINC000150558240 562844811 /nfs/dbraw/zinc/84/48/11/562844811.db2.gz MPUVPTDKRTVYID-VWLOTQADSA-N 2 0 649.822 3.647 1 0 KHAFRP COc1cccc(C(=[NH2+])Nc2cc(C(=O)NC3=CN(C)[C@@H](C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s4)C3)n(C)c2)c1 ZINC000150558248 562844815 /nfs/dbraw/zinc/84/48/15/562844815.db2.gz MPUVPTDKRTVYID-RUZDIDTESA-N 2 0 649.822 3.647 1 0 KHAFRP O=C1[O+]=NN(c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CCN(c5ccccc5)CC4)cc3)cc2)C1CN1CCN(c2ccccc2)CC1 ZINC000150580109 562845455 /nfs/dbraw/zinc/84/54/55/562845455.db2.gz LNDUUFQJISAXGP-UHFFFAOYSA-P 2 0 686.817 3.862 1 0 KHAFRP 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+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294003 562852200 /nfs/dbraw/zinc/85/22/00/562852200.db2.gz JXLYSJRDGCGARV-FVUGNCAKSA-N 2 0 810.989 3.991 1 0 KHAFRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([C@@H](O)C[NH2+][C@@H](C)Cc3ccc(C(=O)OC)cc3)cc2)cc1 ZINC000169294019 562852222 /nfs/dbraw/zinc/85/22/22/562852222.db2.gz YLFKNBDKPBKJEJ-NXKSUSBYSA-N 2 0 548.680 3.768 1 0 KHAFRP COC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([C@@H](O)C[NH2+][C@@H](C)Cc3ccc(C(=O)OC)cc3)cc2)cc1 ZINC000169294020 562852198 /nfs/dbraw/zinc/85/21/98/562852198.db2.gz YLFKNBDKPBKJEJ-NCQDULDFSA-N 2 0 548.680 3.768 1 0 KHAFRP COC(=O)c1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([C@@H](O)C[NH2+][C@@H](C)Cc3ccc(C(=O)OC)cc3)cc2)cc1 ZINC000169294021 562852224 /nfs/dbraw/zinc/85/22/24/562852224.db2.gz YLFKNBDKPBKJEJ-OBMDHMNCSA-N 2 0 548.680 3.768 1 0 KHAFRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321198 562856613 /nfs/dbraw/zinc/85/66/13/562856613.db2.gz IHYQSMPYDOHXJN-MHDHXZMLSA-N 2 0 608.743 3.604 1 0 KHAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169330048 562858620 /nfs/dbraw/zinc/85/86/20/562858620.db2.gz QAFHWXIHGCZBNJ-XQKSVPLYSA-N 2 0 810.005 3.564 1 0 KHAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)c(N)c4)cc3)cc2N)c1 ZINC000169331543 562859025 /nfs/dbraw/zinc/85/90/25/562859025.db2.gz OCBKLCHRNQQVJM-UHFFFAOYSA-P 2 0 616.682 3.509 1 0 KHAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@H]6/C=C(/c7ccccc7)CC[N@@H+]7C[C@H](C[C@@](O)(CC)C7)C6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000169337483 562860096 /nfs/dbraw/zinc/86/00/96/562860096.db2.gz RRGVWMANSCEAFJ-GNCFKGGUSA-N 2 0 682.906 3.807 1 0 KHAFRP [NH3+]CC[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698016 562866806 /nfs/dbraw/zinc/86/68/06/562866806.db2.gz KACVBHYTCJQDGU-RTWAWAEBSA-N 2 0 596.808 3.660 1 0 KHAFRP [NH3+]CC[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698017 562866825 /nfs/dbraw/zinc/86/68/25/562866825.db2.gz KACVBHYTCJQDGU-SFTDATJTSA-N 2 0 596.808 3.660 1 0 KHAFRP [NH3+]CC[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698018 562866813 /nfs/dbraw/zinc/86/68/13/562866813.db2.gz KACVBHYTCJQDGU-NHCUHLMSSA-N 2 0 596.808 3.660 1 0 KHAFRP [NH3+]CC[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](C[NH3+])c3ccccc3)s2)s1)c1ccccc1 ZINC000169698019 562866833 /nfs/dbraw/zinc/86/68/33/562866833.db2.gz KACVBHYTCJQDGU-LEWJYISDSA-N 2 0 596.808 3.660 1 0 KHAFRP C#[N+]c1cc2c(cc1OCCNS(=O)(=O)c1cn(C)cn1)[C@H](Cc1ccccc1)[C@@H]([N@@H+]1C[C@@H]3C[C@@H]3C1)CC2 ZINC000169707482 562869999 /nfs/dbraw/zinc/86/99/99/562869999.db2.gz BQSVHIBWPBMHRJ-STMVPXLDSA-N 2 0 531.682 3.921 1 0 KHAFRP C#[N+]c1cc2c(cc1OCCNS(=O)(=O)c1cn(C)cn1)[C@H](Cc1ccccc1)[C@H]([N@@H+]1C[C@@H]3C[C@@H]3C1)CC2 ZINC000169707484 562870019 /nfs/dbraw/zinc/87/00/19/562870019.db2.gz BQSVHIBWPBMHRJ-ZCNKNRMMSA-N 2 0 531.682 3.921 1 0 KHAFRP CCC1=CN2CCC3=c4ccccc4=[NH+]C3=C2C=C1C1=CN2c3ccccc3[C@]34CC[N@@H+]5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@@H]1O ZINC000205669184 562875657 /nfs/dbraw/zinc/87/56/57/562875657.db2.gz QXXYTXDTJHCEMI-KQSYCOFHSA-N 2 0 582.748 3.649 1 0 KHAFRP COCc1cn([C@@H]2[C@H]([NH3+])CN(c3cc[nH+]cc3NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)C[C@@H]2C)nn1 ZINC000207149333 562876646 /nfs/dbraw/zinc/87/66/46/562876646.db2.gz KTOADPOSUJJLPI-CULFLVMASA-N 2 0 552.561 3.576 1 0 KHAFRP Cc1cn([C@@H]2[C@H]([NH3+])CN(c3cc[nH+]cc3NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)C[C@@H]2C)nn1 ZINC000207166718 562876630 /nfs/dbraw/zinc/87/66/30/562876630.db2.gz WRZSMTVCYOXUQT-FSKGLPCWSA-N 2 0 522.535 3.738 1 0 KHAFRP COC(=O)N[C@@H]1[C@H]([NH3+])CN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@@H]1C ZINC000207198047 562876685 /nfs/dbraw/zinc/87/66/85/562876685.db2.gz BQWJQWNJLHDQHB-IJRIMCCZSA-N 2 0 528.535 3.630 1 0 KHAFRP COC(=O)N(C)[C@@H]1[C@H]([NH3+])CN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000207255685 562876728 /nfs/dbraw/zinc/87/67/28/562876728.db2.gz UFRGVTREMFYICD-IKGLDXFJSA-N 2 0 528.535 3.663 1 0 KHAFRP COC(=O)N(C)[C@@H]1[C@H]([NH3+])CN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@@H]1C ZINC000207270761 562876732 /nfs/dbraw/zinc/87/67/32/562876732.db2.gz BUSRDZKIQOWUOO-OKDKDVNESA-N 2 0 542.562 3.972 1 0 KHAFRP C[NH+](C)CCOc1cc(NC(=O)c2cc(OCC[NH3+])cc(C(=O)Nc3cc(OCC[NH+](C)C)c4ccccc4n3)n2)nc2ccccc21 ZINC000223132181 562880093 /nfs/dbraw/zinc/88/00/93/562880093.db2.gz HKYSQNSSWMSNTN-UHFFFAOYSA-N 3 0 652.756 3.901 1 0 KHAFRP C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@]2([NH3+])CCc3ccccc32)CC1 ZINC000253638445 562882459 /nfs/dbraw/zinc/88/24/59/562882459.db2.gz QTUAHMLSKYOMMA-VFEUQPSHSA-N 2 0 629.249 3.919 1 0 KHAFRP CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)[N@H+](C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)[NH+](C)C)C1=S ZINC000299824006 562883137 /nfs/dbraw/zinc/88/31/37/562883137.db2.gz ADAXCPMJPLKMTK-DTXPUJKBSA-N 2 0 610.938 3.915 1 0 KHAFRP C[NH+](C)Cc1cccc2nc(C(=O)NCCCC[NH+]3CCN(c4cc(C(F)(F)F)nc(C(C)(C)C)n4)CC3)cn21 ZINC000299828521 562884533 /nfs/dbraw/zinc/88/45/33/562884533.db2.gz JUJJUAKPUFHLKF-UHFFFAOYSA-N 2 0 560.669 3.834 1 0 KHAFRP CNc1nc(-c2ccc(CC[NH+]3CCN(CCC[NH+]4CCN(c5ccccn5)CC4)CC3)cc2)cs1 ZINC000299829192 562884781 /nfs/dbraw/zinc/88/47/81/562884781.db2.gz QMTASBWLICFBPU-UHFFFAOYSA-N 2 0 505.736 3.619 1 0 KHAFRP Nc1nc(-c2ccc(CC[NH+]3CCN(CCCC[NH+]4CCN(c5ccccn5)CC4)CC3)cc2)cs1 ZINC000299829888 562885040 /nfs/dbraw/zinc/88/50/40/562885040.db2.gz SSOGMQNMXCAUGZ-UHFFFAOYSA-N 2 0 505.736 3.550 1 0 KHAFRP C[NH+](C)Cc1c(C(=O)NCCCC[NH+]2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)nc2ccccn21 ZINC000299833784 562886256 /nfs/dbraw/zinc/88/62/56/562886256.db2.gz WMXFRQFMQHQCBJ-UHFFFAOYSA-N 2 0 560.669 3.834 1 0 KHAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)c1nc2ccccc2s1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000299845613 562889524 /nfs/dbraw/zinc/88/95/24/562889524.db2.gz FIYUUYNASDJLKW-PTLSCCGASA-N 2 0 561.752 3.551 1 0 KHAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)c1nc2ccccc2s1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000299846180 562889647 /nfs/dbraw/zinc/88/96/47/562889647.db2.gz ZDJAWPTWLQRSCD-DWXCWOAGSA-N 2 0 561.752 3.693 1 0 KHAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)c1nc2ccccc2s1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000299846181 562889654 /nfs/dbraw/zinc/88/96/54/562889654.db2.gz ZDJAWPTWLQRSCD-FUZIDMDMSA-N 2 0 561.752 3.693 1 0 KHAFRP O=C([C@H]1CCC[NH+](Cc2ccccc2F)C1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000299850305 562890621 /nfs/dbraw/zinc/89/06/21/562890621.db2.gz OZNOHGAKPUVTAK-UIOOFZCWSA-N 2 0 524.656 3.760 1 0 KHAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6/C=C(/c7ccccc7)CC[N@@H+]7C[C@H](C[C@@](O)(CC)C7)C6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32 ZINC000299850365 562890605 /nfs/dbraw/zinc/89/06/05/562890605.db2.gz RRGVWMANSCEAFJ-MBIXMLMNSA-N 2 0 682.906 3.807 1 0 KHAFRP Cn1c2ccc(C(=O)OCCC[NH+](C)C)cc2c2nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3Cl)c2c1=O ZINC000299853615 562891152 /nfs/dbraw/zinc/89/11/52/562891152.db2.gz MZFSIUHEECYWFD-OAQYLSRUSA-N 2 0 551.091 3.626 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857108 562892085 /nfs/dbraw/zinc/89/20/85/562892085.db2.gz CMQPBJQRYACTFV-CPCREDONSA-N 2 0 822.852 3.509 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857109 562892070 /nfs/dbraw/zinc/89/20/70/562892070.db2.gz CMQPBJQRYACTFV-DCMFLLSESA-N 2 0 822.852 3.509 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857110 562892074 /nfs/dbraw/zinc/89/20/74/562892074.db2.gz CMQPBJQRYACTFV-OWHBQTKESA-N 2 0 822.852 3.509 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857111 562892092 /nfs/dbraw/zinc/89/20/92/562892092.db2.gz CMQPBJQRYACTFV-QAXCHELISA-N 2 0 822.852 3.509 1 0 KHAFRP Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc([C@@H]3CCCN(C(=O)N[C@@H]4CC[NH2+]C4)C3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299861677 562893391 /nfs/dbraw/zinc/89/33/91/562893391.db2.gz IPCSNXZQVBZPOL-LGPLSSKUSA-N 2 0 689.805 3.847 1 0 KHAFRP Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc([C@H]3CCCN(C(=O)N[C@@H]4CC[NH2+]C4)C3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299861679 562893428 /nfs/dbraw/zinc/89/34/28/562893428.db2.gz IPCSNXZQVBZPOL-SKBVVQJISA-N 2 0 689.805 3.847 1 0 KHAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000299872071 562895844 /nfs/dbraw/zinc/89/58/44/562895844.db2.gz ZVPJBYZIHCWVQP-DSPMFFIESA-N 2 0 834.863 3.783 1 0 KHAFRP COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CC[NH+](CCCCCCCCCCN5CC[NH2+]CC5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000473090844 562897620 /nfs/dbraw/zinc/89/76/20/562897620.db2.gz AWAXXNITJSMXPD-FHKOVNTISA-N 2 0 749.950 3.874 1 0 KHAFRP CCC[NH+](CCCNC(=O)CCC(=O)NCCC[N@@H+](CCC)CCc1cccc2c1CC(=O)N2)CCc1cccc2c1CC(=O)N2 ZINC000473126419 562899748 /nfs/dbraw/zinc/89/97/48/562899748.db2.gz SUQMUSUDBYIFKM-UHFFFAOYSA-N 2 0 632.850 3.678 1 0 KHAFRP CN1CC[NH+](CCCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H]34)CC1 ZINC000474604849 562905270 /nfs/dbraw/zinc/90/52/70/562905270.db2.gz FLVBKGLENIPNOK-WSZJRCBQSA-N 2 0 542.712 3.987 1 0 KHAFRP c1cc(CN2CCC[NH2+]CCCCCC[NH2+]CC2)ccc1CN1CCC[NH2+]CCCCCC[NH2+]CC1 ZINC000653739726 562910103 /nfs/dbraw/zinc/91/01/03/562910103.db2.gz BDWAWGCDCISKCZ-UHFFFAOYSA-N 4 0 500.820 3.577 1 0 KHAFRP COc1nc(Oc2ccc(C(=O)OC[C@@H](C)[NH+](C)C)cc2)nc(Oc2ccc(C(=O)OC[C@H](C)[NH+](C)C)cc2)n1 ZINC000653745034 562910299 /nfs/dbraw/zinc/91/02/99/562910299.db2.gz QIORXCWQYIESRG-KDURUIRLSA-N 2 0 553.616 3.679 1 0 KHAFRP COc1nc(Oc2ccc(C(=O)OC[C@H](C)[NH+](C)C)cc2)nc(Oc2ccc(C(=O)OC[C@H](C)[NH+](C)C)cc2)n1 ZINC000653745035 562910300 /nfs/dbraw/zinc/91/03/00/562910300.db2.gz QIORXCWQYIESRG-OALUTQOASA-N 2 0 553.616 3.679 1 0 KHAFRP COc1nc(Oc2ccc(C(=O)OC[C@@H](C)[NH+](C)C)cc2)nc(Oc2ccc(C(=O)OC[C@@H](C)[NH+](C)C)cc2)n1 ZINC000653745036 562910291 /nfs/dbraw/zinc/91/02/91/562910291.db2.gz QIORXCWQYIESRG-RTBURBONSA-N 2 0 553.616 3.679 1 0 KHAFRP NC(=[NH2+])c1cccc(N2C[C@H](NC(=O)Cc3ccccc3)CN(CC3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000653747658 562910495 /nfs/dbraw/zinc/91/04/95/562910495.db2.gz BFOHAEDJCBXVHR-MUUNZHRXSA-N 2 0 538.696 3.852 1 0 KHAFRP NC(=[NH2+])c1cccc(N2C[C@@H](NC(=O)Cc3ccccc3)CN(CC3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000653747659 562910518 /nfs/dbraw/zinc/91/05/18/562910518.db2.gz BFOHAEDJCBXVHR-NDEPHWFRSA-N 2 0 538.696 3.852 1 0 KHAFRP CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CC[NH2+]CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653751529 562910684 /nfs/dbraw/zinc/91/06/84/562910684.db2.gz IVYWBZWLYNTDJK-HSZRJFAPSA-N 2 0 505.736 3.620 1 0 KHAFRP CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CC[NH2+]CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653751530 562910674 /nfs/dbraw/zinc/91/06/74/562910674.db2.gz IVYWBZWLYNTDJK-QHCPKHFHSA-N 2 0 505.736 3.620 1 0 KHAFRP CC(C)(C)c1ccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3ccc(Cl)s3)C(N)=O)cc2)cc1 ZINC000653786673 562912427 /nfs/dbraw/zinc/91/24/27/562912427.db2.gz GOVQQDUPSMZDLM-FEVNIDIWSA-N 2 0 741.359 3.596 1 0 KHAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000653787998 562912503 /nfs/dbraw/zinc/91/25/03/562912503.db2.gz FSXJMDFMHNKHRO-WAKHXKBOSA-N 2 0 768.863 3.817 1 0 KHAFRP CC(C)(C)c1ccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3sccc3Cl)C(N)=O)cc2)cc1 ZINC000653788027 562912519 /nfs/dbraw/zinc/91/25/19/562912519.db2.gz NKQUOQDMVBKFFI-YTCPBCGMSA-N 2 0 741.359 3.596 1 0 KHAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc2ccsc2s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000653788028 562912491 /nfs/dbraw/zinc/91/24/91/562912491.db2.gz NSQHWDFESHJXIF-UNCTUWKVSA-N 2 0 774.892 3.879 1 0 KHAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 ZINC000653788047 562912496 /nfs/dbraw/zinc/91/24/96/562912496.db2.gz SRXPRXGFICYAEG-WAKHXKBOSA-N 2 0 768.863 3.817 1 0 KHAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc2sccc2s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 ZINC000653795312 562913019 /nfs/dbraw/zinc/91/30/19/562913019.db2.gz YWYPPEYAYFEJQJ-IALVYGIMSA-N 2 0 774.892 3.879 1 0 KHAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cc2sccc2s1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000653795313 562913018 /nfs/dbraw/zinc/91/30/18/562913018.db2.gz ZGEHYMIEFQUUHN-IALVYGIMSA-N 2 0 741.340 3.513 1 0 KHAFRP [NH3+][C@H](C(=O)Nc1cncc(F)c1CC[C@@H]1C[NH2+][C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000653834573 562914639 /nfs/dbraw/zinc/91/46/39/562914639.db2.gz XEJRKVCKRPQXCJ-XXAUWVGASA-N 2 0 603.617 3.897 1 0 KHAFRP COc1cc([C@H]2[C@H](C(=O)OCC3CC[NH+](C)CC3)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)OCC2CC[NH+](C)CC2)ccc1O ZINC000653837585 562914770 /nfs/dbraw/zinc/91/47/70/562914770.db2.gz BWZMJHXBEMULJL-TVLXLKRTSA-N 2 0 610.748 3.998 1 0 KHAFRP COc1cc([C@H]2[C@H](C(=O)OC3CC[NH+](C)CC3)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)OC2CC[NH+](C)CC2)ccc1O ZINC000653837686 562914740 /nfs/dbraw/zinc/91/47/40/562914740.db2.gz RKXAPADAACIWMY-DANJKSSVSA-N 2 0 582.694 3.503 1 0 KHAFRP COc1cccc(C(=[NH2+])Nc2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)cc2)c1 ZINC000653859674 562915952 /nfs/dbraw/zinc/91/59/52/562915952.db2.gz MVYGGCLIELKVQN-UHFFFAOYSA-N 2 0 598.708 3.996 1 0 KHAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(C2CCC(F)(F)CC2)c1)N1CCN(C(=O)c2cc(F)cc(N3CC[NH2+]CC3)c2)CC1 ZINC000653861126 562915961 /nfs/dbraw/zinc/91/59/61/562915961.db2.gz ZGIGDPVEUDPANG-MHZLTWQESA-N 2 0 599.698 3.867 1 0 KHAFRP COc1cc(-c2nn(CC[NH+]3CCC(C[NH+](C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C ZINC000653874648 562916587 /nfs/dbraw/zinc/91/65/87/562916587.db2.gz XJGZXZXWDRLHBF-UHFFFAOYSA-N 2 0 524.670 3.705 1 0 KHAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)cc2)c1)N1CCN(C(=O)c2cc(F)cc(O[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000653882282 562916794 /nfs/dbraw/zinc/91/67/94/562916794.db2.gz IFNJIMKJHDWVCU-SXOMAYOGSA-N 2 0 576.644 3.711 1 0 KHAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)c(F)c2)c1)N1CCN(C(=O)c2cc(F)cc(N3CC[NH2+]CC3)c2)CC1 ZINC000653882401 562916873 /nfs/dbraw/zinc/91/68/73/562916873.db2.gz ZXPXEQPCQIOEDR-SANMLTNESA-N 2 0 593.650 3.519 1 0 KHAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(C2CCCCC2)c1)N1CCN(C(=O)c2cc(F)cc(N3CC[NH2+]CC3)c2)CC1 ZINC000653882853 562916864 /nfs/dbraw/zinc/91/68/64/562916864.db2.gz IQUZMDYZRLMRFQ-NDEPHWFRSA-N 2 0 563.718 3.622 1 0 KHAFRP CC1CCC(c2cc(C(=O)N3CCN(C(=O)c4cc(F)cc(N5CC[NH2+]CC5)c4)CC3)ccc2O[C@H]2CC[NH2+]C2)CC1 ZINC000653882899 562916879 /nfs/dbraw/zinc/91/68/79/562916879.db2.gz VYSBXJUWTATIBW-DHCVZJGKSA-N 2 0 577.745 3.868 1 0 KHAFRP O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)cc2)c1)N1CCN(C(=O)c2cc(F)cc(O[C@H]3CC[NH2+]C3)c2)CC1 ZINC000653887997 562917083 /nfs/dbraw/zinc/91/70/83/562917083.db2.gz IFNJIMKJHDWVCU-SVBPBHIXSA-N 2 0 576.644 3.711 1 0 KHAFRP CC[C@H](C)Cc1cn([C@@H](CCCC[NH3+])C(=O)NCCCCCCCCCCC(=O)N2CC[NH2+]CC2)nn1 ZINC000036386740 562060068 /nfs/dbraw/zinc/06/00/68/562060068.db2.gz LRVXSTXOCOVSQU-AHWVRZQESA-N 2 0 519.779 3.596 3 0 KHAFRP CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CC[NH2+]CC1)n1cc(CCCCC[NH3+])nn1 ZINC000036386758 562060090 /nfs/dbraw/zinc/06/00/90/562060090.db2.gz BLOLLGHWSASITE-IGKIAQTJSA-N 2 0 519.779 3.596 3 0 KHAFRP Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@@H]5O4 ZINC000049771628 562678245 /nfs/dbraw/zinc/67/82/45/562678245.db2.gz APSUXPSYBJVPPS-JEYCVXRYSA-N 2 0 661.799 3.824 3 0 KHAFRP Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@H]5O4 ZINC000072119073 562723776 /nfs/dbraw/zinc/72/37/76/562723776.db2.gz APSUXPSYBJVPPS-UWKQMGJCSA-N 2 0 661.799 3.824 3 0 KHAFRP 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+]2CC1CC1)[C@H]5O4 ZINC000084475341 562743219 /nfs/dbraw/zinc/74/32/19/562743219.db2.gz APSUXPSYBJVPPS-HJLGEKAPSA-N 2 0 661.799 3.824 3 0 KHAFRP