smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc([C@@H](C[NH+]2CCCC2)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC000034553896 210246179 /nfs/dbraw/zinc/24/61/79/210246179.db2.gz HLBRXOVHXRAVBQ-NRFANRHFSA-N 1 0 351.881 4.958 10 0 FJAERO C[N@@H+]1CCCC[C@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004214153 210228823 /nfs/dbraw/zinc/22/88/23/210228823.db2.gz FKFABDZLGKRECY-FQEVSTJZSA-N 1 0 351.490 4.625 10 0 in-man FJAERO C[NH2+][C@@H](C)Cc1ccc(-c2cc(Br)ccc2Br)o1 ZINC000062770929 212029901 /nfs/dbraw/zinc/02/99/01/212029901.db2.gz OEAZAKWRULHEMN-VIFPVBQESA-N 1 0 373.088 4.622 10 0 FJAERO Brc1cc(-c2ccccc2)cc2nc(C3CC[NH2+]CC3)oc21 ZINC000226250325 203879759 /nfs/dbraw/zinc/87/97/59/203879759.db2.gz QDIQKAHJXMIMRF-UHFFFAOYSA-N 1 0 357.251 4.724 10 0 FJAERO Fc1cccc(C2(c3ccc(-c4cn[nH]c4)cc3)CC[NH2+]CC2)c1Cl ZINC000038330701 204304418 /nfs/dbraw/zinc/30/44/18/204304418.db2.gz USUVTKQVEFVSHN-UHFFFAOYSA-N 1 0 355.844 4.539 10 0 FJAERO c1[nH]nc(C2CC[NH+](C3CCOCC3)CC2)c1-c1ccc2ccccc2c1 ZINC000011789509 204415380 /nfs/dbraw/zinc/41/53/80/204415380.db2.gz NBKKAPIOUJFSRX-UHFFFAOYSA-N 1 0 361.489 4.588 10 0 FJAERO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000012479373 204468491 /nfs/dbraw/zinc/46/84/91/204468491.db2.gz FYWGBGDUMQFFJV-FQEVSTJZSA-N 1 0 367.443 4.954 10 0 FJAERO C[NH2+][C@H](Cc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000035462858 204991675 /nfs/dbraw/zinc/99/16/75/204991675.db2.gz FNIIXNZOLGTWAS-OAHLLOKOSA-N 1 0 369.100 4.715 10 0 FJAERO C[C@@]([NH3+])(Cc1ccccc1Br)c1ccccc1Br ZINC000037531460 205027277 /nfs/dbraw/zinc/02/72/77/205027277.db2.gz KAVXLKYBVRLASY-OAHLLOKOSA-N 1 0 369.100 4.628 10 0 FJAERO C[NH2+][C@@H](Cc1ccccc1Br)c1cccc(Br)c1 ZINC000037534914 205027339 /nfs/dbraw/zinc/02/73/39/205027339.db2.gz BQIKZKGOJVZIHV-HNNXBMFYSA-N 1 0 369.100 4.715 10 0 FJAERO Cc1ccc(OCc2nc3ccc(Cl)cc3n2CCC[NH+](C)C)c(C)c1 ZINC000040404324 205069555 /nfs/dbraw/zinc/06/95/55/205069555.db2.gz SBKRNBPIYAMDNH-UHFFFAOYSA-N 1 0 371.912 4.837 10 0 FJAERO c1ccc(CCN2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)cc1 ZINC000039199225 205093363 /nfs/dbraw/zinc/09/33/63/205093363.db2.gz AALSZVMUHSDVNL-UHFFFAOYSA-N 1 0 356.513 4.714 10 0 FJAERO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cccnc1NC(=O)C(C)(C)C ZINC000055182849 205210482 /nfs/dbraw/zinc/21/04/82/205210482.db2.gz JZWNOETWQWTHQC-OAHLLOKOSA-N 1 0 359.539 4.928 10 0 FJAERO Cc1cc(Br)c(-c2ccc(C[C@H](C)[NH3+])o2)c(Br)c1 ZINC000062770556 205292924 /nfs/dbraw/zinc/29/29/24/205292924.db2.gz LBLRWHOJSILTRO-VIFPVBQESA-N 1 0 373.088 4.670 10 0 FJAERO Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1CCC[NH+](C)C ZINC000040404072 211744683 /nfs/dbraw/zinc/74/46/83/211744683.db2.gz LPENZEAFSWXTED-UHFFFAOYSA-N 1 0 361.411 4.982 10 0 FJAERO Cc1cccc(OCc2nc3ccc(Cl)cc3n2CCC[NH+](C)C)c1 ZINC000040404304 211744199 /nfs/dbraw/zinc/74/41/99/211744199.db2.gz LVUQUNBRRRNMBP-UHFFFAOYSA-N 1 0 357.885 4.529 10 0 FJAERO [NH3+]C[C@@H](Oc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000042957693 206013452 /nfs/dbraw/zinc/01/34/52/206013452.db2.gz VWSBUOONEQNCGV-CYBMUJFWSA-N 1 0 361.066 4.835 10 0 FJAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1cccc(Br)c1 ZINC000043024618 206015005 /nfs/dbraw/zinc/01/50/05/206015005.db2.gz ZVTSFCHZPROYMK-STQMWFEESA-N 1 0 357.342 4.785 10 0 FJAERO Cc1ccsc1C[NH2+]CCOc1ccc(Cl)cc1Br ZINC000104016609 206235859 /nfs/dbraw/zinc/23/58/59/206235859.db2.gz CFILCJIKTXPSIK-UHFFFAOYSA-N 1 0 360.704 4.641 10 0 FJAERO C[N@@H+]1CCC[C@@H](OC(=O)c2c3ccccc3n(-c3ccccc3)c2Cl)C1 ZINC000211837450 206340751 /nfs/dbraw/zinc/34/07/51/206340751.db2.gz LIJHZDSYUROAFX-MRXNPFEDSA-N 1 0 368.864 4.535 10 0 FJAERO Cc1cc(Br)ccc1O[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000063061723 206524129 /nfs/dbraw/zinc/52/41/29/206524129.db2.gz SANWVPXILUKQAW-YMTOWFKASA-N 1 0 360.704 4.940 10 0 FJAERO CCCn1c2ccc(Br)cc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036834 211363940 /nfs/dbraw/zinc/36/39/40/211363940.db2.gz ZHWZWYQWQOTWDC-MRXNPFEDSA-N 1 0 350.304 4.789 10 0 FJAERO Cc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(Br)s1 ZINC000038018294 211354001 /nfs/dbraw/zinc/35/40/01/211354001.db2.gz YRGGHLIABSDAJU-CQSZACIVSA-N 1 0 352.297 4.823 10 0 FJAERO Cc1ccccc1[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000021812499 211327075 /nfs/dbraw/zinc/32/70/75/211327075.db2.gz SKBHSSIBWOWKTQ-CQSZACIVSA-N 1 0 355.073 4.568 10 0 FJAERO Cc1ccc(CN(Cc2cccc(C)n2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000019236103 211210532 /nfs/dbraw/zinc/21/05/32/211210532.db2.gz UEIWIPPJXJBBFJ-UHFFFAOYSA-N 1 0 355.526 4.603 10 0 FJAERO C[C@@H](CCc1ccc(O)cc1)[N@@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000019220954 211207217 /nfs/dbraw/zinc/20/72/17/211207217.db2.gz XRLZMHJLWKMYLZ-HNNXBMFYSA-N 1 0 366.436 4.566 10 0 FJAERO C/C=C(\C)C[N@H+]1CCOc2c(cc(-c3cccc(OC)c3)cc2OC)C1 ZINC000015004639 211112417 /nfs/dbraw/zinc/11/24/17/211112417.db2.gz HJTXDUQUYGCSCO-FZSIALSZSA-N 1 0 353.462 4.531 10 0 FJAERO CCCC[NH+](CCCC)CCCNCc1ccc(OCC)c(OCC)c1 ZINC000013733696 211054580 /nfs/dbraw/zinc/05/45/80/211054580.db2.gz LCPLCQFNKZCJEA-UHFFFAOYSA-N 1 0 364.574 4.866 10 0 FJAERO C[C@H](CC[N@@H+]1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)c1ccccc1 ZINC000013587985 211041515 /nfs/dbraw/zinc/04/15/15/211041515.db2.gz HYNYFKQSCKKARU-YDIMBITNSA-N 1 0 364.533 4.579 10 0 FJAERO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000034992861 210316219 /nfs/dbraw/zinc/31/62/19/210316219.db2.gz LJAYTFKEEXYRAI-SNVBAGLBSA-N 1 0 356.210 4.587 10 0 FJAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2ccccc2I)cc1 ZINC000021504608 220358683 /nfs/dbraw/zinc/35/86/83/220358683.db2.gz CLWDXWVIZYWVOC-SJKOYZFVSA-N 1 0 365.258 4.853 10 0 FJAERO Cc1nccn1-c1ccccc1C[NH2+]Cc1cnc(-c2ccccc2C)s1 ZINC000065455703 221220154 /nfs/dbraw/zinc/22/01/54/221220154.db2.gz QMFSFWYSGUDYRD-UHFFFAOYSA-N 1 0 374.513 4.902 10 0 FJAERO CC[NH2+][C@@H](CC)c1ccc(-c2cccc(I)c2)o1 ZINC000103930252 222347516 /nfs/dbraw/zinc/34/75/16/222347516.db2.gz ODKNRSYAUYWKAM-ZDUSSCGKSA-N 1 0 355.219 4.612 10 0 FJAERO [NH3+]C[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC000103991214 222348641 /nfs/dbraw/zinc/34/86/41/222348641.db2.gz AWNBCZRPFNSRJT-CQSZACIVSA-N 1 0 361.066 4.835 10 0 FJAERO Fc1cccc(Br)c1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000394740374 568505845 /nfs/dbraw/zinc/50/58/45/568505845.db2.gz IKCXVTBYCLNYPG-ZJUUUORDSA-N 1 0 354.185 4.799 10 0 FJAERO Cc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)cc1I ZINC000675075169 571272439 /nfs/dbraw/zinc/27/24/39/571272439.db2.gz HJGZMWMLVHFPDO-OKILXGFUSA-N 1 0 357.279 4.671 10 0 FJAERO Brc1ccc2oc(C3=CC[N@H+](Cc4ccccc4)CC3)nc2c1 ZINC000226251067 571276230 /nfs/dbraw/zinc/27/62/30/571276230.db2.gz XUBKRQOUCSGEHO-UHFFFAOYSA-N 1 0 369.262 4.880 10 0 FJAERO c1ccc(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103229506 210243092 /nfs/dbraw/zinc/24/30/92/210243092.db2.gz DZTIFSFZEQLBLH-UHFFFAOYSA-N 1 0 356.513 4.636 10 0 FJAERO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1Oc1ccc(F)cc1 ZINC000005141696 203921546 /nfs/dbraw/zinc/92/15/46/203921546.db2.gz QTXLEODRGPCXHU-CQSZACIVSA-N 1 0 369.440 4.714 10 0 FJAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(Cl)cc(Br)c1OC ZINC000035509886 204298301 /nfs/dbraw/zinc/29/83/01/204298301.db2.gz QGNWIHXNRXDSST-JTQLQIEISA-N 1 0 360.601 4.714 10 0 FJAERO CC[NH2+][C@H](c1cccc(I)c1)c1cc(C)ccc1C ZINC000035546427 204306837 /nfs/dbraw/zinc/30/68/37/204306837.db2.gz BPAZPDYMGKHYBG-QGZVFWFLSA-N 1 0 365.258 4.607 10 0 FJAERO CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1I ZINC000035574819 204316945 /nfs/dbraw/zinc/31/69/45/204316945.db2.gz XKKCSKBHCSPICI-INIZCTEOSA-N 1 0 369.221 4.519 10 0 FJAERO CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000038349227 204356927 /nfs/dbraw/zinc/35/69/27/204356927.db2.gz SRRUPDPTTGLICG-MOPGFXCFSA-N 1 0 355.353 4.875 10 0 FJAERO Clc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073685297 205033486 /nfs/dbraw/zinc/03/34/86/205033486.db2.gz VOWSKTARTBDXKM-SFHVURJKSA-N 1 0 364.880 4.628 10 0 FJAERO Cc1cccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)n1 ZINC000039516313 205045816 /nfs/dbraw/zinc/04/58/16/205045816.db2.gz CMLGMRJSKNZSEN-FQEVSTJZSA-N 1 0 364.468 4.518 10 0 FJAERO Cc1ccc2cc(-c3n[nH]c4ccc(NC5CC[NH+](C)CC5)cc43)[nH]c2c1 ZINC000066066396 205361979 /nfs/dbraw/zinc/36/19/79/205361979.db2.gz QDHNXQVLJYGUNC-UHFFFAOYSA-N 1 0 359.477 4.526 10 0 FJAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)Cc1ccccc1Br ZINC000103944945 206235810 /nfs/dbraw/zinc/23/58/10/206235810.db2.gz PJBXOYDDUCOWEJ-GFCCVEGCSA-N 1 0 358.732 4.927 10 0 FJAERO [NH3+][C@@H](Cc1cccc(Br)c1)Cc1c(Cl)cccc1Cl ZINC000103935256 206236738 /nfs/dbraw/zinc/23/67/38/206236738.db2.gz HBLVUBPFRXYAJG-LBPRGKRZSA-N 1 0 359.094 4.868 10 0 FJAERO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(Br)s1 ZINC000038001706 211340532 /nfs/dbraw/zinc/34/05/32/211340532.db2.gz MHWGZTAOOKPNGD-CQSZACIVSA-N 1 0 367.356 4.683 10 0 FJAERO [NH3+][C@H](c1csc2ccccc21)c1ccc(I)cc1 ZINC000020596255 211289398 /nfs/dbraw/zinc/28/93/98/211289398.db2.gz BJMAPIGYRJYDAO-HNNXBMFYSA-N 1 0 365.239 4.554 10 0 FJAERO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1ccc(I)cc1 ZINC000037764330 211273527 /nfs/dbraw/zinc/27/35/27/211273527.db2.gz TYXSHTPVGACYQJ-VXGBXAGGSA-N 1 0 369.221 4.842 10 0 FJAERO OCC1(Cc2ccc(Cl)cc2)CC[NH+](CCCc2ccccc2)CC1 ZINC000013596042 211043127 /nfs/dbraw/zinc/04/31/27/211043127.db2.gz AEKKSGFBUSUPIU-UHFFFAOYSA-N 1 0 357.925 4.590 10 0 FJAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020586766 220334993 /nfs/dbraw/zinc/33/49/93/220334993.db2.gz IWQKGPYVWQSTSB-CQSZACIVSA-N 1 0 361.066 4.813 10 0 FJAERO C[NH2+]Cc1cc(Br)cnc1Oc1ccc(Cl)c(Cl)c1 ZINC000051571733 221036978 /nfs/dbraw/zinc/03/69/78/221036978.db2.gz ZWTSMGSQAHWSEO-UHFFFAOYSA-N 1 0 362.054 4.663 10 0 FJAERO Cc1cc(Br)ccc1O[C@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000063061726 221142305 /nfs/dbraw/zinc/14/23/05/221142305.db2.gz SANWVPXILUKQAW-XPTSAGLGSA-N 1 0 360.704 4.940 10 0 FJAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000095077361 221844828 /nfs/dbraw/zinc/84/48/28/221844828.db2.gz GKRZWASALBCLSY-IRXDYDNUSA-N 1 0 372.875 4.559 10 0 FJAERO CC(C)[C@H](CSC(F)(F)F)[NH2+]Cc1ccc(Br)cc1 ZINC000095918393 221972181 /nfs/dbraw/zinc/97/21/81/221972181.db2.gz ZSAWZGVRBFMVOC-LBPRGKRZSA-N 1 0 356.251 4.816 10 0 FJAERO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](C)C)C=C3C)nc2c1 ZINC000096296139 222112529 /nfs/dbraw/zinc/11/25/29/222112529.db2.gz JVRLOPHAAJEPIB-LNLFQRSKSA-N 1 0 355.526 4.530 10 0 FJAERO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccc(I)cc1 ZINC000103974897 222347626 /nfs/dbraw/zinc/34/76/26/222347626.db2.gz QSSCBYUULZLHNJ-STQMWFEESA-N 1 0 357.279 4.911 10 0 FJAERO c1nc(CC[NH2+]C2CCN(c3cccc(-c4ccccc4)c3)CC2)cs1 ZINC000020449553 526594837 /nfs/dbraw/zinc/59/48/37/526594837.db2.gz BMLCKYOBPRSGRB-UHFFFAOYSA-N 1 0 363.530 4.611 10 0 FJAERO CC(C)c1cccc(O[C@H](CCN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000034727158 570550117 /nfs/dbraw/zinc/55/01/17/570550117.db2.gz UESHICGFFLETKE-HSZRJFAPSA-N 1 0 352.522 4.568 10 0 FJAERO Cc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000012003258 570604215 /nfs/dbraw/zinc/60/42/15/570604215.db2.gz LVFYKQNKFKZZPZ-LJQANCHMSA-N 1 0 360.929 4.628 10 0 FJAERO C[NH+](C)CCCSCC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000001540252 571145216 /nfs/dbraw/zinc/14/52/16/571145216.db2.gz FDOYGLCMRDGPPR-UHFFFAOYSA-N 1 0 360.350 4.669 10 0 FJAERO Clc1ccc(O[C@@H](C[NH+]2CCC2)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC000034578343 210246394 /nfs/dbraw/zinc/24/63/94/210246394.db2.gz LMQVASLLHRUDEK-FQEVSTJZSA-N 1 0 353.853 4.556 10 0 FJAERO CCOC(=O)NC[C@@H](CC[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000005830250 210232144 /nfs/dbraw/zinc/23/21/44/210232144.db2.gz NSGJRBFEQICTMG-LJQANCHMSA-N 1 0 354.494 4.546 10 0 FJAERO C[C@@H](C[NH+]1CCCC1)C(O)(c1ccccc1Cl)c1ccccc1Cl ZINC000003607248 210227751 /nfs/dbraw/zinc/22/77/51/210227751.db2.gz BMPPVJBHZHMVNZ-HNNXBMFYSA-N 1 0 364.316 4.961 10 0 FJAERO Clc1ccc(OC2CCC3(CC[NH2+]CC3)CC2)cc1Br ZINC000034867008 203931221 /nfs/dbraw/zinc/93/12/21/203931221.db2.gz IHYCYXHWGZXVNF-UHFFFAOYSA-N 1 0 358.707 4.794 10 0 FJAERO CCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002922683 204067448 /nfs/dbraw/zinc/06/74/48/204067448.db2.gz AEAJPBVWJZEPAL-PKTZIBPZSA-N 1 0 353.506 4.563 10 0 FJAERO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000013733893 204550054 /nfs/dbraw/zinc/55/00/54/204550054.db2.gz BPZBEIHSHWNWTE-PMACEKPBSA-N 1 0 364.533 4.588 10 0 in-vivo FJAERO Clc1cccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)c1 ZINC000073685192 205033124 /nfs/dbraw/zinc/03/31/24/205033124.db2.gz ASDWKNMMQUBSMQ-GOSISDBHSA-N 1 0 364.880 4.628 10 0 FJAERO CCCC[NH+](CCCC)CCCNCc1cccc(Br)c1 ZINC000013733517 220090641 /nfs/dbraw/zinc/09/06/41/220090641.db2.gz KBBQQTSSKNDOSV-UHFFFAOYSA-N 1 0 355.364 4.831 10 0 FJAERO CCOc1cc2[nH+]ccc(Nc3cc(OC)cc(OC)c3)c2cc1OCC ZINC000054202439 205199439 /nfs/dbraw/zinc/19/94/39/205199439.db2.gz LJOPJRVSWRFJHC-UHFFFAOYSA-N 1 0 368.433 4.793 10 0 FJAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)c1cccc(Br)c1 ZINC000053817549 205197079 /nfs/dbraw/zinc/19/70/79/205197079.db2.gz AESNVQMOEWZJSX-AWEZNQCLSA-N 1 0 373.063 4.593 10 0 FJAERO CC[N@@H+]1CCC[C@@H](Nc2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)C1 ZINC000066076458 205362997 /nfs/dbraw/zinc/36/29/97/205362997.db2.gz JDVNBGBHCSSKFP-GOSISDBHSA-N 1 0 373.504 4.916 10 0 FJAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(I)cc2)o1 ZINC000103930245 205996000 /nfs/dbraw/zinc/99/60/00/205996000.db2.gz VPAZCGJITHVAMY-ZDUSSCGKSA-N 1 0 355.219 4.612 10 0 FJAERO [NH3+]C[C@H](Oc1cccc(Cl)c1Cl)c1cccc(Br)c1 ZINC000043023324 206015728 /nfs/dbraw/zinc/01/57/28/206015728.db2.gz ZDPYHUUNBRNCRW-ZDUSSCGKSA-N 1 0 361.066 4.835 10 0 FJAERO CC[NH2+][C@H](Cc1sccc1Br)Cc1ccc(Cl)cc1 ZINC000103937972 206235688 /nfs/dbraw/zinc/23/56/88/206235688.db2.gz LBBKCAJNPZDXJZ-ZDUSSCGKSA-N 1 0 358.732 4.927 10 0 FJAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1Br ZINC000035462933 211636784 /nfs/dbraw/zinc/63/67/84/211636784.db2.gz WNMWGZSDHJZJQJ-AWEZNQCLSA-N 1 0 355.073 4.520 10 0 FJAERO Cc1ccc(O[C@@H](c2cc(Br)cs2)[C@H](C)[NH3+])c(Cl)c1 ZINC000054349411 206335067 /nfs/dbraw/zinc/33/50/67/206335067.db2.gz XWUYYYXPJZTPOA-LKFCYVNXSA-N 1 0 360.704 4.940 10 0 FJAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(Br)s1 ZINC000038018293 211353815 /nfs/dbraw/zinc/35/38/15/211353815.db2.gz YRGGHLIABSDAJU-AWEZNQCLSA-N 1 0 352.297 4.823 10 0 FJAERO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003446 211342091 /nfs/dbraw/zinc/34/20/91/211342091.db2.gz FDWPDTFWMHTKLU-NEPJUHHUSA-N 1 0 354.313 4.801 10 0 FJAERO CC[C@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccc(Br)cc1 ZINC000037496168 211199095 /nfs/dbraw/zinc/19/90/95/211199095.db2.gz XRZNDJAYWVEZTD-INIZCTEOSA-N 1 0 352.247 4.838 10 0 FJAERO CC(C)Cc1ccc([C@H]([NH3+])c2ccc(I)cc2)cc1 ZINC000020480468 220328904 /nfs/dbraw/zinc/32/89/04/220328904.db2.gz LCFXVRRRRZSTMJ-KRWDZBQOSA-N 1 0 365.258 4.538 10 0 FJAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1cc(F)c(F)c(F)c1 ZINC000063006420 221140173 /nfs/dbraw/zinc/14/01/73/221140173.db2.gz HFJKYTBBBOUWSP-CYBMUJFWSA-N 1 0 350.203 4.627 10 0 FJAERO Cc1ccccc1-c1cccc(N2CCC([NH2+][C@@H]3CCSC3)CC2)c1 ZINC000023581966 136153052 /nfs/dbraw/zinc/15/30/52/136153052.db2.gz FGABLZVJKSTEQC-HXUWFJFHSA-N 1 0 352.547 4.726 10 0 FJAERO CSc1ccc(O[C@H](c2ccc(Br)s2)[C@H](C)[NH3+])cc1 ZINC000104339078 222355849 /nfs/dbraw/zinc/35/58/49/222355849.db2.gz PYRIKQRRAWVBEV-XPTSAGLGSA-N 1 0 358.326 4.700 10 0 FJAERO Fc1ccc(C[NH2+]CCC2CCC(F)(F)CC2)cc1Br ZINC000725268846 570541943 /nfs/dbraw/zinc/54/19/43/570541943.db2.gz CMTLMELYFPEPDU-UHFFFAOYSA-N 1 0 350.222 4.893 10 0 FJAERO CC(C)[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000725271468 570542090 /nfs/dbraw/zinc/54/20/90/570542090.db2.gz GABMCQVACQMFHZ-OAHLLOKOSA-N 1 0 360.420 4.659 10 0 FJAERO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 ZINC000005840073 210231649 /nfs/dbraw/zinc/23/16/49/210231649.db2.gz FFXUBHMOYZSPHL-HXUWFJFHSA-N 1 0 354.881 4.930 10 0 FJAERO CC(C)[N@H+](C)Cc1cccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)c1 ZINC000063870051 212035548 /nfs/dbraw/zinc/03/55/48/212035548.db2.gz UNULLZALXFWGRO-UHFFFAOYSA-N 1 0 367.880 4.598 10 0 FJAERO C[NH2+][C@@H](c1cccc(I)c1)c1c(C)cc(C)cc1C ZINC000035492376 204291946 /nfs/dbraw/zinc/29/19/46/204291946.db2.gz GKKBAXRUPQMUMK-KRWDZBQOSA-N 1 0 365.258 4.525 10 0 FJAERO CC[NH2+][C@H](c1cccc(I)c1)c1ccc(C)cc1C ZINC000035542653 204300794 /nfs/dbraw/zinc/30/07/94/204300794.db2.gz LGQUIEQREUNASK-QGZVFWFLSA-N 1 0 365.258 4.607 10 0 FJAERO Fc1ccc(-c2nn(C3CC[NH2+]CC3)c3ccc(C(F)(F)F)cc32)cc1 ZINC000059051494 212014759 /nfs/dbraw/zinc/01/47/59/212014759.db2.gz VOQFDLQQKSCOIQ-UHFFFAOYSA-N 1 0 363.358 4.786 10 0 FJAERO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)c1 ZINC000036103981 205005792 /nfs/dbraw/zinc/00/57/92/205005792.db2.gz NDRYGFADRGPKJN-QFIPXVFZSA-N 1 0 373.512 4.621 10 0 FJAERO Clc1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073685294 205033411 /nfs/dbraw/zinc/03/34/11/205033411.db2.gz VOWSKTARTBDXKM-GOSISDBHSA-N 1 0 364.880 4.628 10 0 FJAERO COc1ccc([C@H]([NH3+])c2cc(Cl)sc2Cl)cc1Br ZINC000038074061 205039100 /nfs/dbraw/zinc/03/91/00/205039100.db2.gz TYHUEJVCDFZMCC-NSHDSACASA-N 1 0 367.095 4.874 10 0 FJAERO Cc1ccc(OCc2nc3cc(Cl)ccc3n2CCC[NH+](C)C)cc1 ZINC000040404310 205068891 /nfs/dbraw/zinc/06/88/91/205068891.db2.gz VFXSIEHJAXTHLR-UHFFFAOYSA-N 1 0 357.885 4.529 10 0 FJAERO CCOc1cc2[nH+]ccc(Nc3ccccc3C(=O)OC)c2cc1OCC ZINC000054202401 205199277 /nfs/dbraw/zinc/19/92/77/205199277.db2.gz YVMXYAADUBLLAT-UHFFFAOYSA-N 1 0 366.417 4.562 10 0 FJAERO COc1cc2[nH+]ccc(Nc3ccc(C(=O)OC(C)C)cc3)c2cc1OC ZINC000065005335 205313824 /nfs/dbraw/zinc/31/38/24/205313824.db2.gz ZDCJCZHHUNPIKC-UHFFFAOYSA-N 1 0 366.417 4.561 10 0 FJAERO C[NH2+][C@@H](Cc1cccc(Br)c1)c1ccccc1Br ZINC000103931026 205996948 /nfs/dbraw/zinc/99/69/48/205996948.db2.gz BZFCETVFWPVLPS-HNNXBMFYSA-N 1 0 369.100 4.715 10 0 FJAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1ccccc1Br ZINC000043096012 206018092 /nfs/dbraw/zinc/01/80/92/206018092.db2.gz LRKBAQSBXYQGCH-OLZOCXBDSA-N 1 0 357.342 4.785 10 0 FJAERO [NH3+][C@@H](Cc1sccc1Br)c1cccc(C(F)(F)F)c1 ZINC000053816469 206315191 /nfs/dbraw/zinc/31/51/91/206315191.db2.gz JRYFEVDDRUWODC-NSHDSACASA-N 1 0 350.203 4.772 10 0 FJAERO CC(C)(C)c1ccc([C@@H]([NH3+])c2ccc(I)cc2)cc1 ZINC000020480455 206334133 /nfs/dbraw/zinc/33/41/33/206334133.db2.gz NWUUCXVHHFDOGH-MRXNPFEDSA-N 1 0 365.258 4.637 10 0 FJAERO C[NH2+][C@H](C)c1cc(F)ccc1Oc1cccc(I)c1 ZINC000034666342 206519509 /nfs/dbraw/zinc/51/95/09/206519509.db2.gz GOWJQKZXWXRPML-SNVBAGLBSA-N 1 0 371.193 4.503 10 0 FJAERO CN1CC[NH+]([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC000022036039 211335055 /nfs/dbraw/zinc/33/50/55/211335055.db2.gz MFYVODATWDJWNK-YLJYHZDGSA-N 1 0 361.316 4.818 10 0 FJAERO COc1ccc([C@H]([NH3+])c2c(Cl)cccc2Cl)c(Br)c1 ZINC000037444798 211175206 /nfs/dbraw/zinc/17/52/06/211175206.db2.gz KZXLCOIKEIINQD-AWEZNQCLSA-N 1 0 361.066 4.813 10 0 FJAERO CC[C@@H](OC(C)=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000002007680 210375923 /nfs/dbraw/zinc/37/59/23/210375923.db2.gz XBMIVRRWGCYBTQ-XMSQKQJNSA-N 1 0 353.506 4.655 10 0 world FJAERO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1Oc1ccccc1 ZINC000002179798 210381322 /nfs/dbraw/zinc/38/13/22/210381322.db2.gz OHBVTDSGJSFYJP-OAHLLOKOSA-N 1 0 351.450 4.575 10 0 aggregator FJAERO COc1cc(Br)c(C[NH2+]C2CCCCCCC2)cc1OC ZINC000034991126 210289821 /nfs/dbraw/zinc/28/98/21/210289821.db2.gz JAAOZAOVCQUGTQ-UHFFFAOYSA-N 1 0 356.304 4.669 10 0 FJAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(-c3ccc(Br)s3)sc21 ZINC000050335220 221031233 /nfs/dbraw/zinc/03/12/33/221031233.db2.gz IMBGFVVCNWWSDS-QMMMGPOBSA-N 1 0 357.342 4.867 10 0 FJAERO C[NH2+][C@H](Cc1cc(Br)cs1)Cc1c(F)cccc1Cl ZINC000062352510 221140404 /nfs/dbraw/zinc/14/04/04/221140404.db2.gz IRUILGDSTSMRCS-SNVBAGLBSA-N 1 0 362.695 4.676 10 0 FJAERO CC[N@@H+]1CCC[C@H](Nc2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)C1 ZINC000066076456 221239257 /nfs/dbraw/zinc/23/92/57/221239257.db2.gz JDVNBGBHCSSKFP-SFHVURJKSA-N 1 0 373.504 4.916 10 0 FJAERO C[NH2+]C[C@H](Cc1sccc1Br)Cc1cccc(Cl)c1 ZINC000103999336 222349072 /nfs/dbraw/zinc/34/90/72/222349072.db2.gz VUVJCWBVFLSVFN-LBPRGKRZSA-N 1 0 358.732 4.785 10 0 FJAERO COc1ccc2nc(NCc3cc(C[NH+]4CCCC4)cs3)sc2c1 ZINC000019794586 525676663 /nfs/dbraw/zinc/67/66/63/525676663.db2.gz VGCDCTGHYGLEDY-UHFFFAOYSA-N 1 0 359.520 4.574 10 0 FJAERO O=C1CC[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2N1CC1CCCCC1 ZINC000012328549 568182094 /nfs/dbraw/zinc/18/20/94/568182094.db2.gz IYGNZRPSEHCRET-PKTZIBPZSA-N 1 0 368.565 4.512 10 0 FJAERO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682577 570531759 /nfs/dbraw/zinc/53/17/59/570531759.db2.gz FRZKCZLLOQCWAN-UHFFFAOYSA-N 1 0 360.498 4.541 10 0 FJAERO CN(CC1C[NH+](C(c2ccccc2)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000202650937 571307485 /nfs/dbraw/zinc/30/74/85/571307485.db2.gz PTZNHGUSSATYQK-UHFFFAOYSA-N 1 0 366.505 4.575 10 0 FJAERO CC(C)C[C@H]1[C@@H](c2ccccc2)OC(=O)N1CCC[NH+]1CCCCCC1 ZINC000003779985 210229751 /nfs/dbraw/zinc/22/97/51/210229751.db2.gz DQNMZSIJHFEYTM-LEWJYISDSA-N 1 0 358.526 4.861 10 0 in-man FJAERO CC(C)(C)[C@]1(O)CC[N@@H+]2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 ZINC000040933021 210044630 /nfs/dbraw/zinc/04/46/30/210044630.db2.gz ZZJYIKPMDIWRSN-RQTOMXEWSA-N 1 0 361.529 4.845 10 0 in-vitro FJAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)c1ccccc1Br ZINC000060699916 212023910 /nfs/dbraw/zinc/02/39/10/212023910.db2.gz OSCYZHNRELXQHG-AWEZNQCLSA-N 1 0 373.063 4.593 10 0 FJAERO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000005840043 204226628 /nfs/dbraw/zinc/22/66/28/204226628.db2.gz SBPZHLVSSMXZQH-OAQYLSRUSA-N 1 0 354.881 4.930 10 0 FJAERO CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000038349228 204356996 /nfs/dbraw/zinc/35/69/96/204356996.db2.gz SRRUPDPTTGLICG-OALUTQOASA-N 1 0 355.353 4.875 10 0 FJAERO C[NH2+]CCOc1ccc(/C(=C(\c2ccccc2)[C@@H](C)O)c2ccccc2)cc1 ZINC000030731093 204911679 /nfs/dbraw/zinc/91/16/79/204911679.db2.gz GREXPZNIZPCGIV-KRXRYSOXSA-N 1 0 373.496 4.625 10 0 world FJAERO C[C@]([NH3+])(Cc1cccc(Br)c1)c1ccccc1Br ZINC000037531467 205027842 /nfs/dbraw/zinc/02/78/42/205027842.db2.gz YAEHHAVBHWSHKY-HNNXBMFYSA-N 1 0 369.100 4.628 10 0 FJAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1cccc(Br)c1 ZINC000037534921 205028149 /nfs/dbraw/zinc/02/81/49/205028149.db2.gz RZDMLXHZJITMPT-OAHLLOKOSA-N 1 0 369.100 4.715 10 0 FJAERO CC[NH+](CC)CCn1c(COc2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000040405668 205069267 /nfs/dbraw/zinc/06/92/67/205069267.db2.gz BCPVYVPMFPTRCH-UHFFFAOYSA-N 1 0 371.912 4.919 10 0 FJAERO C[NH2+]Cc1c(Cl)cccc1N(C)Cc1csc(Br)c1 ZINC000042363076 205095788 /nfs/dbraw/zinc/09/57/88/205095788.db2.gz VNDBOIIGCJUYFV-UHFFFAOYSA-N 1 0 359.720 4.520 10 0 FJAERO CCC[NH2+][C@H](c1sccc1C)c1ccccc1I ZINC000042730182 205096721 /nfs/dbraw/zinc/09/67/21/205096721.db2.gz ZOTQWTCSSRRNBR-AWEZNQCLSA-N 1 0 371.287 4.750 10 0 FJAERO COc1ccc2[nH]c(C[NH2+]Cc3cnc(-c4ccccc4C)s3)cc2c1 ZINC000067473489 205372285 /nfs/dbraw/zinc/37/22/85/205372285.db2.gz LYHZKQWQEZEBBD-UHFFFAOYSA-N 1 0 363.486 4.898 10 0 FJAERO CCC[NH2+][C@H](c1cccc(I)c1)C1=CCCCC1 ZINC000104020469 205995921 /nfs/dbraw/zinc/99/59/21/205995921.db2.gz DPNPUKBHNQYTQH-INIZCTEOSA-N 1 0 355.263 4.832 10 0 FJAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1cccc(Br)c1 ZINC000043024621 206015850 /nfs/dbraw/zinc/01/58/50/206015850.db2.gz ZVTSFCHZPROYMK-OLZOCXBDSA-N 1 0 357.342 4.785 10 0 FJAERO C[NH2+]Cc1nc(Oc2ccc(Cl)cc2Br)ccc1Cl ZINC000051550311 206135645 /nfs/dbraw/zinc/13/56/45/206135645.db2.gz JIXMXZINBFFFNE-UHFFFAOYSA-N 1 0 362.054 4.663 10 0 FJAERO [NH3+][C@H](Cc1ccc(Br)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000109718504 206248248 /nfs/dbraw/zinc/24/82/48/206248248.db2.gz JLQTVPVWGTUARC-CYBMUJFWSA-N 1 0 359.094 4.868 10 0 FJAERO Cc1ccc(O[C@H](c2cc(Br)cs2)[C@@H](C)[NH3+])c(Cl)c1 ZINC000054349408 206336148 /nfs/dbraw/zinc/33/61/48/206336148.db2.gz XWUYYYXPJZTPOA-OTYXRUKQSA-N 1 0 360.704 4.940 10 0 FJAERO Fc1ccc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020766602 211296152 /nfs/dbraw/zinc/29/61/52/211296152.db2.gz DZMJLJFOPHKXGS-UHFFFAOYSA-N 1 0 358.460 4.713 10 0 FJAERO O=C(Nc1ccc2c(c1)C[N@H+](C1CCC1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000020600978 211289129 /nfs/dbraw/zinc/28/91/29/211289129.db2.gz ILLAAFDESCBNSA-UHFFFAOYSA-N 1 0 374.406 4.868 10 0 FJAERO CC(C)(C)C(=O)N1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014994574 211112632 /nfs/dbraw/zinc/11/26/32/211112632.db2.gz XYQZRQRIJDICJL-MJGOQNOKSA-N 1 0 370.562 4.760 10 0 FJAERO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2cccs2)C1 ZINC000014956817 211105816 /nfs/dbraw/zinc/10/58/16/211105816.db2.gz FLSSAVQXORCIKN-GOSISDBHSA-N 1 0 355.482 4.876 10 0 FJAERO Cc1c2c(c(C)c(C)c1N)O[C@](C)(C[NH+]1CCC(c3ccccc3)CC1)C2 ZINC000003824861 210496033 /nfs/dbraw/zinc/49/60/33/210496033.db2.gz OFJJFTDZPRQPBY-DEOSSOPVSA-N 1 0 364.533 4.767 10 0 investigational FJAERO O[C@@H](c1cc(-c2ccccc2)nc2c(Cl)cccc12)[C@@H]1CCCC[NH2+]1 ZINC000001682014 210365260 /nfs/dbraw/zinc/36/52/60/210365260.db2.gz MPMKCOPJFBUMKL-RXVVDRJESA-N 1 0 352.865 4.731 10 0 FJAERO C[NH+](C)CCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccccc1 ZINC000001656588 210363543 /nfs/dbraw/zinc/36/35/43/210363543.db2.gz HENOLDQCBALMOQ-UHFFFAOYSA-N 1 0 361.411 4.598 10 0 FJAERO CC(C)(C)c1ccc([C@H]([NH3+])c2ccccc2I)cc1 ZINC000020565689 220333110 /nfs/dbraw/zinc/33/31/10/220333110.db2.gz IJFYYLCGGJJJSP-INIZCTEOSA-N 1 0 365.258 4.637 10 0 FJAERO CC(C)(C)c1ccc([C@H]([NH3+])c2ccc(I)cc2)cc1 ZINC000020480456 220329451 /nfs/dbraw/zinc/32/94/51/220329451.db2.gz NWUUCXVHHFDOGH-INIZCTEOSA-N 1 0 365.258 4.637 10 0 FJAERO CC(C)Cc1ccc([C@@H]([NH3+])c2ccc(I)cc2)cc1 ZINC000020480467 220329883 /nfs/dbraw/zinc/32/98/83/220329883.db2.gz LCFXVRRRRZSTMJ-QGZVFWFLSA-N 1 0 365.258 4.538 10 0 FJAERO [NH3+][C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1 ZINC000100278602 222240229 /nfs/dbraw/zinc/24/02/29/222240229.db2.gz ZZNWYNQAKJCHDF-OKILXGFUSA-N 1 0 372.875 4.559 10 0 FJAERO CCCNc1c2cc(I)ccc2[nH+]c2c1CCCC2 ZINC000103972623 222347621 /nfs/dbraw/zinc/34/76/21/222347621.db2.gz IFUIRALLHHBBKZ-UHFFFAOYSA-N 1 0 366.246 4.540 10 0 FJAERO CCC[NH2+][C@H](c1cc(C)oc1C)c1cccc(I)c1 ZINC000104001166 222348188 /nfs/dbraw/zinc/34/81/88/222348188.db2.gz RXLYAOALHDYOQP-INIZCTEOSA-N 1 0 369.246 4.590 10 0 FJAERO CSc1ccc(O[C@@H](c2ccc(Br)s2)[C@H](C)[NH3+])cc1 ZINC000104339084 222354963 /nfs/dbraw/zinc/35/49/63/222354963.db2.gz PYRIKQRRAWVBEV-LKFCYVNXSA-N 1 0 358.326 4.700 10 0 FJAERO CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000226859594 519706714 /nfs/dbraw/zinc/70/67/14/519706714.db2.gz OMQIPVIRIGOFOJ-AZUAARDMSA-N 1 0 360.542 4.790 10 0 FJAERO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000015005425 570828821 /nfs/dbraw/zinc/82/88/21/570828821.db2.gz LGXHZTYIDBAMDV-MRXNPFEDSA-N 1 0 355.482 4.965 10 0 FJAERO CC[C@H](C)NC(=O)[C@@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000105045533 570867430 /nfs/dbraw/zinc/86/74/30/570867430.db2.gz NHJJMBUYWWFFOX-WWPVKYPJSA-N 1 0 364.533 4.515 10 0 FJAERO CCCOc1ccc([C@H](O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003607665 210228062 /nfs/dbraw/zinc/22/80/62/210228062.db2.gz YQIIIVFFEWMGQR-NTKDMRAZSA-N 1 0 367.533 4.852 10 0 FJAERO C[C@H](C[NH+]1CCCC1)C(O)(c1ccccc1Cl)c1ccccc1Cl ZINC000003607250 210227764 /nfs/dbraw/zinc/22/77/64/210227764.db2.gz BMPPVJBHZHMVNZ-OAHLLOKOSA-N 1 0 364.316 4.961 10 0 FJAERO CCCOc1ccc([C@@H](O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003607667 210227480 /nfs/dbraw/zinc/22/74/80/210227480.db2.gz YQIIIVFFEWMGQR-DVECYGJZSA-N 1 0 367.533 4.852 10 0 FJAERO Cc1cc2c(cc1C)C(=O)O[C@@](CC[NH+](C)C)(c1ccc(Cl)cc1)C2 ZINC000003962557 204116312 /nfs/dbraw/zinc/11/63/12/204116312.db2.gz OXMQICCFMKUBIT-OAQYLSRUSA-N 1 0 357.881 4.517 10 0 FJAERO CC[NH2+][C@@H](c1ccsc1)c1cc(Cl)cc(Br)c1OC ZINC000035509669 204296216 /nfs/dbraw/zinc/29/62/16/204296216.db2.gz KKPABKWNVWUXJJ-ZDUSSCGKSA-N 1 0 360.704 4.872 10 0 FJAERO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003445 204772801 /nfs/dbraw/zinc/77/28/01/204772801.db2.gz FDWPDTFWMHTKLU-RYUDHWBXSA-N 1 0 354.313 4.801 10 0 FJAERO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]C2CCSCC2)C1 ZINC000012386476 204841736 /nfs/dbraw/zinc/84/17/36/204841736.db2.gz SYVFYLPDGXJQRD-SFHVURJKSA-N 1 0 359.514 4.510 10 0 FJAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1ccc(Br)cc1 ZINC000049598851 211891807 /nfs/dbraw/zinc/89/18/07/211891807.db2.gz NXTKDCZZTKLKNI-AWEZNQCLSA-N 1 0 373.063 4.593 10 0 FJAERO Cc1ccc(OCc2nc3ccc(Cl)cc3n2CCC[NH+](C)C)cc1 ZINC000040404313 205069339 /nfs/dbraw/zinc/06/93/39/205069339.db2.gz KGEQGYNYAGPUHB-UHFFFAOYSA-N 1 0 357.885 4.529 10 0 FJAERO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000041971135 205093448 /nfs/dbraw/zinc/09/34/48/205093448.db2.gz XMEKIVJCPJRTIZ-UHFFFAOYSA-N 1 0 367.251 4.981 10 0 FJAERO Cc1cc([C@H]([NH3+])c2cc(Br)ccc2Br)ccc1F ZINC000063055537 205292837 /nfs/dbraw/zinc/29/28/37/205292837.db2.gz JWIPZNMOOLMLQU-AWEZNQCLSA-N 1 0 373.063 4.707 10 0 FJAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccccc1Br ZINC000043096008 206017728 /nfs/dbraw/zinc/01/77/28/206017728.db2.gz LRKBAQSBXYQGCH-CHWSQXEVSA-N 1 0 357.342 4.785 10 0 FJAERO [NH3+]C[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1Br ZINC000043094928 206018096 /nfs/dbraw/zinc/01/80/96/206018096.db2.gz JNBLQRJGUSVOPP-ZDUSSCGKSA-N 1 0 361.066 4.835 10 0 FJAERO CC[NH2+][C@@H](Cc1sccc1Br)Cc1ccc(Cl)cc1 ZINC000103937977 206235997 /nfs/dbraw/zinc/23/59/97/206235997.db2.gz LBBKCAJNPZDXJZ-CYBMUJFWSA-N 1 0 358.732 4.927 10 0 FJAERO [NH3+][C@@H](Cc1ccc(Br)cc1)Cc1c(Cl)cccc1Cl ZINC000109718543 206247877 /nfs/dbraw/zinc/24/78/77/206247877.db2.gz PPASIXRDSKBGIX-LBPRGKRZSA-N 1 0 359.094 4.868 10 0 FJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1I ZINC000035552217 211639917 /nfs/dbraw/zinc/63/99/17/211639917.db2.gz KCHXXWIYBDGURM-OAHLLOKOSA-N 1 0 371.287 4.668 10 0 FJAERO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1Cl ZINC000022781310 206392047 /nfs/dbraw/zinc/39/20/47/206392047.db2.gz GQRGHISJMXTCJC-SNVBAGLBSA-N 1 0 368.658 4.682 10 0 FJAERO Cc1nc(OCCCCC[NH+]2CCCCC2)cc(-c2ccc(F)cc2)n1 ZINC000001544509 210360846 /nfs/dbraw/zinc/36/08/46/210360846.db2.gz SZSHJTJCJOWMHM-UHFFFAOYSA-N 1 0 357.473 4.626 10 0 investigational FJAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(-c3ccc(Br)s3)sc21 ZINC000050335217 221031307 /nfs/dbraw/zinc/03/13/07/221031307.db2.gz IMBGFVVCNWWSDS-MRVPVSSYSA-N 1 0 357.342 4.867 10 0 FJAERO [NH3+][C@H](Cc1sccc1Br)c1cccc(C(F)(F)F)c1 ZINC000053816468 221048127 /nfs/dbraw/zinc/04/81/27/221048127.db2.gz JRYFEVDDRUWODC-LLVKDONJSA-N 1 0 350.203 4.772 10 0 FJAERO CCOc1ccc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)cc1OCC ZINC000065005343 221163837 /nfs/dbraw/zinc/16/38/37/221163837.db2.gz AAMRMRCNNRUPRL-UHFFFAOYSA-N 1 0 368.433 4.793 10 0 FJAERO c1ccc2nc(C[N@@H+]3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)ccc2c1 ZINC000065398626 221212524 /nfs/dbraw/zinc/21/25/24/221212524.db2.gz JBSHLVJQSJBWNN-NRFANRHFSA-N 1 0 366.468 4.681 10 0 FJAERO Clc1cccc(-c2cccc(N3CCC([NH2+]C4CCOCC4)CC3)c2)c1 ZINC000019866430 132893215 /nfs/dbraw/zinc/89/32/15/132893215.db2.gz YNKBJOKSMAVTOK-UHFFFAOYSA-N 1 0 370.924 4.744 10 0 FJAERO Cc1nnc(-c2cccc(N3CCC([NH2+][C@H](C)CC(C)C)CC3)c2)s1 ZINC000048267916 136123089 /nfs/dbraw/zinc/12/30/89/136123089.db2.gz AKUSRDXEMAUGTR-OAHLLOKOSA-N 1 0 358.555 4.507 10 0 FJAERO CCC[NH+]1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000020117820 519842204 /nfs/dbraw/zinc/84/22/04/519842204.db2.gz DOMRJQKUGIDZSM-UHFFFAOYSA-N 1 0 361.489 4.895 10 0 FJAERO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(C)cc1I ZINC000675075252 571272508 /nfs/dbraw/zinc/27/25/08/571272508.db2.gz JFZYMQFHOAWELA-RISCZKNCSA-N 1 0 357.279 4.528 10 0 FJAERO FC(F)(F)c1ccccc1S[C@@H](c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000003947772 210228362 /nfs/dbraw/zinc/22/83/62/210228362.db2.gz ZJJXUEPWFIWWJV-RDJZCZTQSA-N 1 0 353.409 4.527 10 0 FJAERO CCC[C@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003607716 210227627 /nfs/dbraw/zinc/22/76/27/210227627.db2.gz QCZWEUWSYTUCRT-PKTZIBPZSA-N 1 0 353.506 4.549 10 0 FJAERO CCOc1ccc(Oc2nc3ccccc3n2CC[NH+](CC)CC)cc1 ZINC000002027269 204023279 /nfs/dbraw/zinc/02/32/79/204023279.db2.gz CKMCJEWCPZECIB-UHFFFAOYSA-N 1 0 353.466 4.569 10 0 FJAERO CCC(=O)O[C@H](CC)C(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+](C)C ZINC000002000613 204023468 /nfs/dbraw/zinc/02/34/68/204023468.db2.gz VONBPXAUFMFWKC-DENIHFKCSA-N 1 0 367.533 4.902 10 0 FJAERO Cc1ccsc1C[NH+]1CCC(n2c(C3CCC3)nc3cccnc32)CC1 ZINC000011787326 204415149 /nfs/dbraw/zinc/41/51/49/204415149.db2.gz SEJSFBDYRRFEGA-UHFFFAOYSA-N 1 0 366.534 4.906 10 0 FJAERO Cc1ccc(OCc2nc3cc(Cl)ccc3n2CCC[NH+](C)C)c(C)c1 ZINC000040404321 205069211 /nfs/dbraw/zinc/06/92/11/205069211.db2.gz SIWWTHFHICJUTL-UHFFFAOYSA-N 1 0 371.912 4.837 10 0 FJAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cc(F)ccc1Br ZINC000035462914 211635833 /nfs/dbraw/zinc/63/58/33/211635833.db2.gz ORHAFHOCGCOUTH-AWEZNQCLSA-N 1 0 373.063 4.660 10 0 FJAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1cccc(Br)c1 ZINC000049599059 205174442 /nfs/dbraw/zinc/17/44/42/205174442.db2.gz BFOAHWVVIDZFMB-AWEZNQCLSA-N 1 0 373.063 4.593 10 0 FJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(Br)c(Br)o1 ZINC000050358739 205178225 /nfs/dbraw/zinc/17/82/25/205178225.db2.gz BJUYIUIBNKKVSK-SNVBAGLBSA-N 1 0 373.088 4.964 10 0 FJAERO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cccnc1NC(=O)C(C)(C)C ZINC000055182850 205209681 /nfs/dbraw/zinc/20/96/81/205209681.db2.gz JZWNOETWQWTHQC-HNNXBMFYSA-N 1 0 359.539 4.928 10 0 FJAERO [NH3+][C@H](Cc1ccc(F)cc1Br)c1cccc(Br)c1 ZINC000053817548 205196357 /nfs/dbraw/zinc/19/63/57/205196357.db2.gz AESNVQMOEWZJSX-CQSZACIVSA-N 1 0 373.063 4.593 10 0 FJAERO C[NH+](C)C[C@@H](c1ccc(OCc2ccccc2)cc1)C1(O)CCCCC1 ZINC000059131773 205280322 /nfs/dbraw/zinc/28/03/22/205280322.db2.gz FSSWQHLSQWTHIB-QFIPXVFZSA-N 1 0 353.506 4.606 10 0 FJAERO [NH3+]C[C@@H](Oc1cccc(Cl)c1Cl)c1cccc(Br)c1 ZINC000043023321 206015502 /nfs/dbraw/zinc/01/55/02/206015502.db2.gz ZDPYHUUNBRNCRW-CYBMUJFWSA-N 1 0 361.066 4.835 10 0 FJAERO C[NH2+][C@@H](Cc1cccc(Br)c1)c1cccc(Br)c1 ZINC000037534920 211681997 /nfs/dbraw/zinc/68/19/97/211681997.db2.gz RZDMLXHZJITMPT-HNNXBMFYSA-N 1 0 369.100 4.715 10 0 FJAERO [NH3+][C@H](Cc1ccccc1Br)Cc1c(Cl)cccc1Cl ZINC000103946575 206235437 /nfs/dbraw/zinc/23/54/37/206235437.db2.gz DHHWSDMRUMLFJV-LLVKDONJSA-N 1 0 359.094 4.868 10 0 FJAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020586764 206342492 /nfs/dbraw/zinc/34/24/92/206342492.db2.gz IWQKGPYVWQSTSB-AWEZNQCLSA-N 1 0 361.066 4.813 10 0 FJAERO Cc1ccc([C@@H]([NH3+])c2cc(Br)ccc2Br)cc1C ZINC000021500836 211315042 /nfs/dbraw/zinc/31/50/42/211315042.db2.gz OLXRVFSVWNTYIJ-OAHLLOKOSA-N 1 0 369.100 4.877 10 0 FJAERO C[C@H]([NH3+])Cc1cc(Br)ccc1OCc1ccc(Cl)s1 ZINC000037725214 211267598 /nfs/dbraw/zinc/26/75/98/211267598.db2.gz AWEOYJCJBLNPRQ-VIFPVBQESA-N 1 0 360.704 4.633 10 0 FJAERO COc1ccc([C@@H]([NH3+])c2cccc(Cl)c2Cl)c(Br)c1 ZINC000037444803 211175459 /nfs/dbraw/zinc/17/54/59/211175459.db2.gz QVBDWEQNIOIQBS-CQSZACIVSA-N 1 0 361.066 4.813 10 0 FJAERO [NH3+][C@H](c1ccc(Br)cc1Cl)c1c(F)cc(F)cc1F ZINC000037365843 211154419 /nfs/dbraw/zinc/15/44/19/211154419.db2.gz RFRUJKIUXBUYSH-CYBMUJFWSA-N 1 0 350.565 4.568 10 0 FJAERO C/C=C(\C)C[N@H+]1CCOc2c(cc(-c3ccc(OC)cc3)cc2OC)C1 ZINC000015005925 211113780 /nfs/dbraw/zinc/11/37/80/211113780.db2.gz TWGXITSMRTZXEP-FZSIALSZSA-N 1 0 353.462 4.531 10 0 FJAERO C[NH2+][C@H](Cc1cc(Br)cs1)c1nc2ccccc2s1 ZINC000037239601 211068485 /nfs/dbraw/zinc/06/84/85/211068485.db2.gz FYSSVGZRTULIAU-GFCCVEGCSA-N 1 0 353.310 4.624 10 0 FJAERO COc1cc2c(cc1OC)CC(CC1CC[NH+](Cc3ccccc3)CC1)=C2 ZINC000013744607 211055678 /nfs/dbraw/zinc/05/56/78/211055678.db2.gz WEXHLNQRFRJSQX-UHFFFAOYSA-N 1 0 363.501 4.946 10 0 in-vitro FJAERO CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000038349226 210819871 /nfs/dbraw/zinc/81/98/71/210819871.db2.gz SRRUPDPTTGLICG-RBUKOAKNSA-N 1 0 355.353 4.875 10 0 FJAERO CCN(CC)c1ccc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=[NH2+])oc2c1 ZINC000006241742 210664788 /nfs/dbraw/zinc/66/47/88/210664788.db2.gz YQIUPEBMGZOSGJ-UHFFFAOYSA-N 1 0 371.525 4.703 10 0 FJAERO CC[C@H](OC(C)=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000002007678 210376208 /nfs/dbraw/zinc/37/62/08/210376208.db2.gz XBMIVRRWGCYBTQ-GCJKJVERSA-N 1 0 353.506 4.655 10 0 world FJAERO CC[NH+](CC)C[C@H](O)c1cc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000001673186 210365764 /nfs/dbraw/zinc/36/57/64/210365764.db2.gz SBPZHLVSSMXZQH-NRFANRHFSA-N 1 0 354.881 4.930 10 0 FJAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000020555370 220332708 /nfs/dbraw/zinc/33/27/08/220332708.db2.gz FFZIAGQWIMIFGU-CYBMUJFWSA-N 1 0 361.066 4.813 10 0 FJAERO CCC[NH2+]C[C@@H]1CCN(c2c(Cl)cc(Br)cc2Cl)C1 ZINC000053013293 221041318 /nfs/dbraw/zinc/04/13/18/221041318.db2.gz YGRBALNXUPAJCZ-JTQLQIEISA-N 1 0 366.130 4.582 10 0 FJAERO Cc1cc2[nH]c(C(=O)Nc3cc(F)ccc3Cl)c(C[NH+](C)C)c2s1 ZINC000075487924 221582221 /nfs/dbraw/zinc/58/22/21/221582221.db2.gz DIBVJGKJTDKRCF-UHFFFAOYSA-N 1 0 365.861 4.644 10 0 FJAERO CCCC[NH+]1CCC([C@]2(O)c3ccccc3C[C@]2(C)c2ccccc2)CC1 ZINC000095930534 221972277 /nfs/dbraw/zinc/97/22/77/221972277.db2.gz HAWOUMPDLOJSBV-RPBOFIJWSA-N 1 0 363.545 4.900 10 0 FJAERO [NH3+]C[C@H](Oc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000103982703 222347123 /nfs/dbraw/zinc/34/71/23/222347123.db2.gz ROENYKRUQORVRR-AWEZNQCLSA-N 1 0 361.066 4.835 10 0 FJAERO [NH3+]C[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC000103991217 222348632 /nfs/dbraw/zinc/34/86/32/222348632.db2.gz AWNBCZRPFNSRJT-AWEZNQCLSA-N 1 0 361.066 4.835 10 0 FJAERO CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1I ZINC000104183519 222352340 /nfs/dbraw/zinc/35/23/40/222352340.db2.gz DVMFAQYOPCIPDC-KRWDZBQOSA-N 1 0 365.258 4.575 10 0 FJAERO CC(C)c1cccc(O[C@@H](CCN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000034727154 570550040 /nfs/dbraw/zinc/55/00/40/570550040.db2.gz UESHICGFFLETKE-QHCPKHFHSA-N 1 0 352.522 4.568 10 0 FJAERO Cc1cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)cc1I ZINC000675075152 571272472 /nfs/dbraw/zinc/27/24/72/571272472.db2.gz HJGZMWMLVHFPDO-KBPBESRZSA-N 1 0 357.279 4.671 10 0 FJAERO CCOc1cc2c(cc1OCC)[C@H](c1csc3ccccc13)[NH2+]CC2 ZINC000003703964 210229355 /nfs/dbraw/zinc/22/93/55/210229355.db2.gz DAFCJQACULUJQE-OAQYLSRUSA-N 1 0 353.487 4.934 10 0 FJAERO CCOc1cc2[nH+]ccc(Nc3cccc(C(=O)OC)c3)c2cc1OCC ZINC000053994686 210206011 /nfs/dbraw/zinc/20/60/11/210206011.db2.gz IPZDYNQLJSSBNS-UHFFFAOYSA-N 1 0 366.417 4.562 10 0 FJAERO CC[NH2+][C@@H](c1ccc(I)cc1)c1ccc(C)cc1C ZINC000035542655 204301000 /nfs/dbraw/zinc/30/10/00/204301000.db2.gz GYILFPNRLVCTEF-KRWDZBQOSA-N 1 0 365.258 4.607 10 0 FJAERO C[NH2+][C@@H](c1ccc(I)cc1)c1ccc(C(C)C)cc1 ZINC000036819932 204393809 /nfs/dbraw/zinc/39/38/09/204393809.db2.gz YAARRJPWMRTKJA-QGZVFWFLSA-N 1 0 365.258 4.723 10 0 FJAERO Cc1cccc(OCc2nc3cc(Cl)ccc3n2CCC[NH+](C)C)c1 ZINC000040404307 205068872 /nfs/dbraw/zinc/06/88/72/205068872.db2.gz UQGNIGADINTCCY-UHFFFAOYSA-N 1 0 357.885 4.529 10 0 FJAERO CC[NH+](CC)CCn1c(COc2cccc(C)c2)nc2ccc(Cl)cc21 ZINC000040405660 211744301 /nfs/dbraw/zinc/74/43/01/211744301.db2.gz UGAMWWOCXCQRNC-UHFFFAOYSA-N 1 0 371.912 4.919 10 0 FJAERO CC(C)Cc1ccc([C@@H]([NH3+])c2ccccc2I)cc1 ZINC000019230325 220241020 /nfs/dbraw/zinc/24/10/20/220241020.db2.gz UIRZGVVUXLPHHL-QGZVFWFLSA-N 1 0 365.258 4.538 10 0 FJAERO Cc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073684734 211690667 /nfs/dbraw/zinc/69/06/67/211690667.db2.gz FGLQLUTZTHKEAQ-GOSISDBHSA-N 1 0 358.489 4.531 10 0 FJAERO CC[NH2+][C@H](Cc1cc(Br)cs1)Cc1ccccc1Cl ZINC000103942167 206235542 /nfs/dbraw/zinc/23/55/42/206235542.db2.gz PALSELBUHMCUCP-ZDUSSCGKSA-N 1 0 358.732 4.927 10 0 FJAERO CC[NH2+][C@@H](Cc1cc(Br)cs1)Cc1ccccc1Cl ZINC000103942170 206236518 /nfs/dbraw/zinc/23/65/18/206236518.db2.gz PALSELBUHMCUCP-CYBMUJFWSA-N 1 0 358.732 4.927 10 0 FJAERO C[NH+]1CCC(OC(=O)c2c3ccccc3n(-c3ccccc3)c2Cl)CC1 ZINC000211837272 206340369 /nfs/dbraw/zinc/34/03/69/206340369.db2.gz KLYQKBMKAVCRFY-UHFFFAOYSA-N 1 0 368.864 4.535 10 0 FJAERO CC(C)(C)c1ccc([C@@H]([NH3+])c2ccccc2I)cc1 ZINC000020565688 206343838 /nfs/dbraw/zinc/34/38/38/206343838.db2.gz IJFYYLCGGJJJSP-MRXNPFEDSA-N 1 0 365.258 4.637 10 0 FJAERO Cc1c([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cnn1-c1ccc(F)cc1F ZINC000012301431 211399105 /nfs/dbraw/zinc/39/91/05/211399105.db2.gz FGEWKAASMAQIPO-GFCCVEGCSA-N 1 0 361.823 4.963 10 0 FJAERO Cc1ccccc1[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000021812500 211326568 /nfs/dbraw/zinc/32/65/68/211326568.db2.gz SKBHSSIBWOWKTQ-AWEZNQCLSA-N 1 0 355.073 4.568 10 0 FJAERO [NH3+][C@H](c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F ZINC000037287843 211090671 /nfs/dbraw/zinc/09/06/71/211090671.db2.gz XWVGKYGUOALGLL-CYBMUJFWSA-N 1 0 350.565 4.568 10 0 FJAERO CC[NH+](CC)CCCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013734224 211056298 /nfs/dbraw/zinc/05/62/98/211056298.db2.gz FGSYQDYAHLUOJG-UHFFFAOYSA-N 1 0 360.929 4.741 10 0 FJAERO CC[NH+](CC)CCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000013734311 211055556 /nfs/dbraw/zinc/05/55/56/211055556.db2.gz WBNJOZUMWBFGFR-UHFFFAOYSA-N 1 0 360.929 4.741 10 0 FJAERO CCC[NH2+]C[C@H]1CCN(c2c(Cl)cc(Br)cc2Cl)C1 ZINC000053013294 221041533 /nfs/dbraw/zinc/04/15/33/221041533.db2.gz YGRBALNXUPAJCZ-SNVBAGLBSA-N 1 0 366.130 4.582 10 0 FJAERO [NH3+][C@@H](Cc1sccc1Br)Cc1c(Cl)cccc1Cl ZINC000103944844 222347084 /nfs/dbraw/zinc/34/70/84/222347084.db2.gz ROAFYTVNVMKHTD-MRVPVSSYSA-N 1 0 365.123 4.930 10 0 FJAERO CC(C)(C)OC(=O)C1CC([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000091353118 518774087 /nfs/dbraw/zinc/77/40/87/518774087.db2.gz FDCXJOXBDRMDMF-UHFFFAOYSA-N 1 0 351.490 4.809 10 0 FJAERO Cc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000012003255 570604080 /nfs/dbraw/zinc/60/40/80/570604080.db2.gz LVFYKQNKFKZZPZ-IBGZPJMESA-N 1 0 360.929 4.628 10 0 FJAERO Cc1cc(C[NH+]2CCC(C)(C)CC2)c(C)cc1I ZINC000675075338 571272505 /nfs/dbraw/zinc/27/25/05/571272505.db2.gz MTPMSKGIWRJCSA-UHFFFAOYSA-N 1 0 357.279 4.530 10 0 FJAERO CC(C)CC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037560623 571287953 /nfs/dbraw/zinc/28/79/53/571287953.db2.gz LKZLTUHBCQKOSG-UHFFFAOYSA-N 1 0 350.506 4.730 10 0 FJAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccccc1Br ZINC000043096006 209274051 /nfs/dbraw/zinc/27/40/51/209274051.db2.gz LRKBAQSBXYQGCH-QWHCGFSZSA-N 1 0 357.342 4.785 10 0 FJAERO CC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1)c1ccncc1 ZINC000012191913 219964576 /nfs/dbraw/zinc/96/45/76/219964576.db2.gz TZANIOAJPRFXPM-JOCHJYFZSA-N 1 0 372.472 4.874 10 0 FJAERO CCCCCC[n+]1ccccc1/C=C\c1ccc(OC)c(OC)c1OC ZINC000035199842 206811859 /nfs/dbraw/zinc/81/18/59/206811859.db2.gz AYZVARJBOOLKSG-OWBHPGMISA-N 1 0 356.486 4.751 10 0 FJAERO c1csc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)c1 ZINC000005387748 207098717 /nfs/dbraw/zinc/09/87/17/207098717.db2.gz MKYNQLZUHZKKRF-UHFFFAOYSA-N 1 0 350.491 4.503 10 0 FJAERO CCC[NH2+][C@@H](c1cc(Br)ccc1Br)[C@H]1C[C@@H]1C ZINC000035578665 207217107 /nfs/dbraw/zinc/21/71/07/207217107.db2.gz AYRUJGBZAKRGII-NURSFMCSSA-N 1 0 361.121 4.908 10 0 FJAERO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)c(C)c1 ZINC000012135804 207341306 /nfs/dbraw/zinc/34/13/06/207341306.db2.gz XDMZECFNBUJZMU-PKTZIBPZSA-N 1 0 368.565 4.697 10 0 FJAERO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)c1 ZINC000012246387 207352069 /nfs/dbraw/zinc/35/20/69/207352069.db2.gz QVKGBHXXHNWNAV-NRFANRHFSA-N 1 0 373.500 4.700 10 0 FJAERO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CCO1 ZINC000012316170 207359973 /nfs/dbraw/zinc/35/99/73/207359973.db2.gz BYKYITHWHNLJGI-OAQYLSRUSA-N 1 0 361.489 4.791 10 0 FJAERO COc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCC3)cc1 ZINC000032611744 208033389 /nfs/dbraw/zinc/03/33/89/208033389.db2.gz BUNDLWKBJAMDLD-UHFFFAOYSA-N 1 0 373.448 4.701 10 0 FJAERO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)cc1O ZINC000036347271 208156345 /nfs/dbraw/zinc/15/63/45/208156345.db2.gz DMTLDXVVNYSZMU-QHCPKHFHSA-N 1 0 362.473 4.506 10 0 FJAERO CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656620 208187777 /nfs/dbraw/zinc/18/77/77/208187777.db2.gz IKTCHJQTFZIPJZ-AZUAARDMSA-N 1 0 360.542 4.933 10 0 FJAERO CC(C)CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000073656626 208188656 /nfs/dbraw/zinc/18/86/56/208188656.db2.gz IKTCHJQTFZIPJZ-ICSRJNTNSA-N 1 0 360.542 4.933 10 0 FJAERO C[NH+](C)CCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040404067 208253284 /nfs/dbraw/zinc/25/32/84/208253284.db2.gz VYBVYYBJLGTSTG-UHFFFAOYSA-N 1 0 353.413 4.735 10 0 FJAERO COc1cc(C[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)ccc1O ZINC000020779883 220341349 /nfs/dbraw/zinc/34/13/49/220341349.db2.gz KRKHXHSVAYOIRX-HSZRJFAPSA-N 1 0 361.441 4.537 10 0 FJAERO CN1CC[NH+]([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC000022036010 220373750 /nfs/dbraw/zinc/37/37/50/220373750.db2.gz MFYVODATWDJWNK-PXNSSMCTSA-N 1 0 361.316 4.818 10 0 FJAERO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1Cl ZINC000022781317 220398028 /nfs/dbraw/zinc/39/80/28/220398028.db2.gz GQRGHISJMXTCJC-JTQLQIEISA-N 1 0 368.658 4.682 10 0 FJAERO CCC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(I)cc1 ZINC000035576962 220790281 /nfs/dbraw/zinc/79/02/81/220790281.db2.gz CMLOIESDBBPHFF-KRWDZBQOSA-N 1 0 365.258 4.689 10 0 FJAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2Cl)c(Cl)c1 ZINC000037366479 220835434 /nfs/dbraw/zinc/83/54/34/220835434.db2.gz DPMGYGYVBXLNSJ-CQSZACIVSA-N 1 0 361.066 4.813 10 0 FJAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1ccc(Br)s1 ZINC000050040649 221030801 /nfs/dbraw/zinc/03/08/01/221030801.db2.gz HJOMDTDHNDCILS-JTQLQIEISA-N 1 0 361.102 4.516 10 0 FJAERO [NH3+][C@H](Cc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC000053789251 221048572 /nfs/dbraw/zinc/04/85/72/221048572.db2.gz RQWIPXRLMIYNSM-CQSZACIVSA-N 1 0 373.063 4.593 10 0 FJAERO CCOc1cc2[nH+]ccc(Nc3ccc(NC(C)=O)cc3)c2cc1OCC ZINC000054202425 221051581 /nfs/dbraw/zinc/05/15/81/221051581.db2.gz WLCSKTCBLHKJMP-UHFFFAOYSA-N 1 0 365.433 4.734 10 0 FJAERO COc1cc2[nH+]ccc(Nc3ccccc3Br)c2cc1OC ZINC000065005308 221164103 /nfs/dbraw/zinc/16/41/03/221164103.db2.gz WXOOCTREYSKFQU-UHFFFAOYSA-N 1 0 359.223 4.758 10 0 FJAERO Cc1c([C@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 ZINC000012448276 132857562 /nfs/dbraw/zinc/85/75/62/132857562.db2.gz JLXBGSDNEMTCEL-SFHVURJKSA-N 1 0 360.505 4.500 10 0 FJAERO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000097057269 222155917 /nfs/dbraw/zinc/15/59/17/222155917.db2.gz GQTXOMCYYISMGR-CXAGYDPISA-N 1 0 362.926 4.588 10 0 FJAERO [NH3+]Cc1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000103972567 222347490 /nfs/dbraw/zinc/34/74/90/222347490.db2.gz QUDGDLPEBJNMSD-UHFFFAOYSA-N 1 0 361.066 4.794 10 0 FJAERO CC(C)(C)OC(=O)NC1CC([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000091353122 518822332 /nfs/dbraw/zinc/82/23/32/518822332.db2.gz LCORYCZNNVHEBO-UHFFFAOYSA-N 1 0 366.505 4.745 10 0 FJAERO CC(C)(C)[C@]1(O)CC[N@@H+]2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 ZINC000003870316 560190765 /nfs/dbraw/zinc/19/07/65/560190765.db2.gz ZZJYIKPMDIWRSN-SLSDLSHTSA-N 1 0 361.529 4.845 10 0 in-vitro FJAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000052661600 568378814 /nfs/dbraw/zinc/37/88/14/568378814.db2.gz HMTYWZINOFIKPT-IRXDYDNUSA-N 1 0 354.494 4.805 10 0 FJAERO Fc1cccc(Br)c1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000394740371 568505397 /nfs/dbraw/zinc/50/53/97/568505397.db2.gz IKCXVTBYCLNYPG-UWVGGRQHSA-N 1 0 354.185 4.799 10 0 FJAERO CC[C@H](C)NC(=O)[C@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000034711229 570532576 /nfs/dbraw/zinc/53/25/76/570532576.db2.gz NHJJMBUYWWFFOX-VJBMBRPKSA-N 1 0 364.533 4.515 10 0 FJAERO O=c1c(C[N@H+](Cc2cccnc2)C2CCCCCC2)coc2ccccc21 ZINC000055120614 571116668 /nfs/dbraw/zinc/11/66/68/571116668.db2.gz KRKYQWGIZWVCTR-UHFFFAOYSA-N 1 0 362.473 4.913 10 0 FJAERO CCC[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003607713 219521786 /nfs/dbraw/zinc/52/17/86/219521786.db2.gz QCZWEUWSYTUCRT-GOTSBHOMSA-N 1 0 353.506 4.549 10 0 FJAERO Cc1ccsc1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000014975814 220138619 /nfs/dbraw/zinc/13/86/19/220138619.db2.gz KMQIURZCFQRKBM-OAQYLSRUSA-N 1 0 360.567 4.565 10 0 FJAERO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2cccc(OC)c2)cc1 ZINC000009740844 207284833 /nfs/dbraw/zinc/28/48/33/207284833.db2.gz HQDGHDFWODNFFY-UHFFFAOYSA-N 1 0 371.484 4.862 10 0 FJAERO CCc1ccc([N+]2=C3CCCCCN3[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000022408537 207808157 /nfs/dbraw/zinc/80/81/57/207808157.db2.gz KQYAVIFBHLLEBF-JOCHJYFZSA-N 1 0 369.916 4.553 10 0 FJAERO OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@H]1CC2CC[NH+]1CC2 ZINC000029545831 207993399 /nfs/dbraw/zinc/99/33/99/207993399.db2.gz CHYXCKLGWUYORO-LJQANCHMSA-N 1 0 362.300 4.714 10 0 FJAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cc(F)ccc1Br ZINC000035462917 208125946 /nfs/dbraw/zinc/12/59/46/208125946.db2.gz ORHAFHOCGCOUTH-CQSZACIVSA-N 1 0 373.063 4.660 10 0 FJAERO C[NH2+][C@H](c1ccc(C)cc1)c1cc(Br)ccc1Br ZINC000035467368 208127182 /nfs/dbraw/zinc/12/71/82/208127182.db2.gz GXMWDCCAIKBZRF-OAHLLOKOSA-N 1 0 369.100 4.829 10 0 FJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(I)cc1 ZINC000035552150 208131071 /nfs/dbraw/zinc/13/10/71/208131071.db2.gz BYPCKYAABNSOKK-HNNXBMFYSA-N 1 0 371.287 4.668 10 0 FJAERO CCC[NH2+][C@H](c1ccoc1)c1cc(Br)ccc1Br ZINC000035578251 208132079 /nfs/dbraw/zinc/13/20/79/208132079.db2.gz PLXHHPHQDSSGHO-CQSZACIVSA-N 1 0 373.088 4.894 10 0 FJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(I)cc1 ZINC000035573089 208133747 /nfs/dbraw/zinc/13/37/47/208133747.db2.gz JNLFKEJPIGUTJD-HNNXBMFYSA-N 1 0 371.287 4.750 10 0 FJAERO [NH3+][C@H]1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc21 ZINC000019795892 220299330 /nfs/dbraw/zinc/29/93/30/220299330.db2.gz GPRPVUQFBJKYCQ-AWEZNQCLSA-N 1 0 372.093 4.776 10 0 FJAERO C[NH2+][C@@H](C)c1cc(F)ccc1Oc1ccccc1I ZINC000035454517 220784231 /nfs/dbraw/zinc/78/42/31/220784231.db2.gz ZRARAAQIRBNHSE-JTQLQIEISA-N 1 0 371.193 4.503 10 0 FJAERO CC[NH2+][C@H](c1ccc(Br)cc1)c1cccc(Br)c1 ZINC000035539033 220789035 /nfs/dbraw/zinc/78/90/35/220789035.db2.gz BKQNFGSJIYWVEN-OAHLLOKOSA-N 1 0 369.100 4.911 10 0 FJAERO C[NH+](C)CCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040389622 220903274 /nfs/dbraw/zinc/90/32/74/220903274.db2.gz OKKVTTRPANTJIK-UHFFFAOYSA-N 1 0 359.473 4.720 10 0 FJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(Br)ccc1OC ZINC000051171628 221034543 /nfs/dbraw/zinc/03/45/43/221034543.db2.gz NUNZFIIIEWGZJO-CQSZACIVSA-N 1 0 360.704 4.872 10 0 FJAERO C[NH2+]Cc1nc(Oc2ccc(Br)cc2Cl)ccc1Cl ZINC000051570215 221036226 /nfs/dbraw/zinc/03/62/26/221036226.db2.gz FYVDKBIFCLDYOV-UHFFFAOYSA-N 1 0 362.054 4.663 10 0 FJAERO c1ccc2nc(C[N@@H+]3CC[C@@H](c4ccnc(-c5ccncc5)c4)C3)ccc2c1 ZINC000065398627 221212188 /nfs/dbraw/zinc/21/21/88/221212188.db2.gz JBSHLVJQSJBWNN-OAQYLSRUSA-N 1 0 366.468 4.681 10 0 FJAERO Cc1nnc(-c2cccc(N3CCC([NH2+][C@@H](C)CC(C)C)CC3)c2)s1 ZINC000048267914 136123020 /nfs/dbraw/zinc/12/30/20/136123020.db2.gz AKUSRDXEMAUGTR-HNNXBMFYSA-N 1 0 358.555 4.507 10 0 FJAERO [NH3+][C@H](Cc1cccc(Br)c1)Cc1c(Cl)cccc1Cl ZINC000103935259 222347377 /nfs/dbraw/zinc/34/73/77/222347377.db2.gz HBLVUBPFRXYAJG-GFCCVEGCSA-N 1 0 359.094 4.868 10 0 FJAERO [NH3+]C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000103992873 222348961 /nfs/dbraw/zinc/34/89/61/222348961.db2.gz CASXDPFKQOXREG-CQSZACIVSA-N 1 0 361.066 4.835 10 0 FJAERO CC(C)CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000073656624 519706703 /nfs/dbraw/zinc/70/67/03/519706703.db2.gz IKTCHJQTFZIPJZ-QUCCMNQESA-N 1 0 360.542 4.933 10 0 FJAERO CC(C)(C)OC(=O)Nc1cccc(C2CC[NH+](CC(C)(C)F)CC2)c1 ZINC000261508616 526496728 /nfs/dbraw/zinc/49/67/28/526496728.db2.gz VICDCZVVZJLPQH-UHFFFAOYSA-N 1 0 350.478 4.961 10 0 FJAERO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(C)cc1I ZINC000675075251 571061965 /nfs/dbraw/zinc/06/19/65/571061965.db2.gz JFZYMQFHOAWELA-FZMZJTMJSA-N 1 0 357.279 4.528 10 0 FJAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccc(Br)cc1 ZINC000042959128 209270507 /nfs/dbraw/zinc/27/05/07/209270507.db2.gz JNVIORQALSJOOX-QWHCGFSZSA-N 1 0 357.342 4.785 10 0 FJAERO [NH3+][C@@H](Cc1cc(Br)cs1)Cc1ccc(Cl)cc1Cl ZINC000103929499 209256917 /nfs/dbraw/zinc/25/69/17/209256917.db2.gz QMDJLEHJTLOTKQ-LLVKDONJSA-N 1 0 365.123 4.930 10 0 FJAERO [NH3+][C@H](Cc1cc(Br)cs1)Cc1ccc(Cl)cc1Cl ZINC000103929495 209256399 /nfs/dbraw/zinc/25/63/99/209256399.db2.gz QMDJLEHJTLOTKQ-NSHDSACASA-N 1 0 365.123 4.930 10 0 FJAERO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000012573381 220008674 /nfs/dbraw/zinc/00/86/74/220008674.db2.gz GGRZQXSRAWBTHR-KRWDZBQOSA-N 1 0 352.865 4.916 10 0 FJAERO COCc1cc(Br)ccc1Sc1ccccc1C[NH+](C)C ZINC000013472750 220069026 /nfs/dbraw/zinc/06/90/26/220069026.db2.gz JALKWQKISRAMLQ-UHFFFAOYSA-N 1 0 366.324 4.808 10 0 FJAERO Cc1cc2c(cc1C)C(=O)O[C@](CC[NH+](C)C)(c1ccc(Cl)cc1)C2 ZINC000013684562 220085885 /nfs/dbraw/zinc/08/58/85/220085885.db2.gz OXMQICCFMKUBIT-NRFANRHFSA-N 1 0 357.881 4.517 10 0 FJAERO CCCC[NH+](CCCC)CCCNCc1cccc(Oc2ncccn2)c1 ZINC000013734073 220090627 /nfs/dbraw/zinc/09/06/27/220090627.db2.gz QXVYKXDMLVVSMU-UHFFFAOYSA-N 1 0 370.541 4.651 10 0 FJAERO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1Oc1ccccc1 ZINC000002179797 206904000 /nfs/dbraw/zinc/90/40/00/206904000.db2.gz OHBVTDSGJSFYJP-HNNXBMFYSA-N 1 0 351.450 4.575 10 0 aggregator FJAERO c1ccc2c(c1)CCc1cc3c([n+](-c4ccncc4)c1-2)-c1ccccc1CC3 ZINC000005332124 207094513 /nfs/dbraw/zinc/09/45/13/207094513.db2.gz SVEYDOIVQILNMB-UHFFFAOYSA-N 1 0 361.468 4.890 10 0 FJAERO CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(Br)cc1 ZINC000035574108 208132692 /nfs/dbraw/zinc/13/26/92/208132692.db2.gz MWVUNZDPHBOLFF-CQSZACIVSA-N 1 0 373.088 4.894 10 0 FJAERO C[NH2+]Cc1ccc(Br)cc1Oc1ccccc1Br ZINC000034825442 208110569 /nfs/dbraw/zinc/11/05/69/208110569.db2.gz NQQKPYTXXCJCII-UHFFFAOYSA-N 1 0 371.072 4.723 10 0 FJAERO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)cc1O ZINC000036347270 208155421 /nfs/dbraw/zinc/15/54/21/208155421.db2.gz DMTLDXVVNYSZMU-HSZRJFAPSA-N 1 0 362.473 4.506 10 0 FJAERO C[C@@]([NH3+])(Cc1cccc(Br)c1)c1ccccc1Br ZINC000037531466 208182589 /nfs/dbraw/zinc/18/25/89/208182589.db2.gz YAEHHAVBHWSHKY-OAHLLOKOSA-N 1 0 369.100 4.628 10 0 FJAERO COc1ccc([C@@H]([NH3+])c2cc(Cl)sc2Cl)cc1Br ZINC000038074062 208199050 /nfs/dbraw/zinc/19/90/50/208199050.db2.gz TYHUEJVCDFZMCC-LLVKDONJSA-N 1 0 367.095 4.874 10 0 FJAERO FC(F)(F)c1nn(-c2ccccc2)c2c1C[NH2+]C/C2=C\c1ccccc1 ZINC000043464043 208306023 /nfs/dbraw/zinc/30/60/23/208306023.db2.gz RJIOGEZLCNOWNL-RVDMUPIBSA-N 1 0 355.363 4.535 10 0 FJAERO Cc1ccc2c(c1)CN(C1CC[NH+](C(C)C)CC1)C[C@@H](c1ccsc1)O2 ZINC000020323565 220322077 /nfs/dbraw/zinc/32/20/77/220322077.db2.gz VALKDEYLRRFRMW-QFIPXVFZSA-N 1 0 370.562 4.865 10 0 FJAERO Cc1ccc(C)c([C@H]([NH3+])c2cc(Br)ccc2Br)c1 ZINC000021506158 220358062 /nfs/dbraw/zinc/35/80/62/220358062.db2.gz RDGBQRUIHYZPIO-HNNXBMFYSA-N 1 0 369.100 4.877 10 0 FJAERO CN1CC[NH+]([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC000022036013 220374001 /nfs/dbraw/zinc/37/40/01/220374001.db2.gz MFYVODATWDJWNK-XLIONFOSSA-N 1 0 361.316 4.818 10 0 FJAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1ccc(F)cc1Br ZINC000035462964 220785068 /nfs/dbraw/zinc/78/50/68/220785068.db2.gz GUOLZINHSZHJAS-AWEZNQCLSA-N 1 0 373.063 4.660 10 0 FJAERO CC[NH+](CC)CCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040405649 220905209 /nfs/dbraw/zinc/90/52/09/220905209.db2.gz NNRUOJAXLUDILK-UHFFFAOYSA-N 1 0 357.885 4.611 10 0 FJAERO FC(F)(F)c1nc2ccccc2n1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095076863 209018426 /nfs/dbraw/zinc/01/84/26/209018426.db2.gz SHUCNOWEBMXKMO-MRXNPFEDSA-N 1 0 359.395 4.577 10 0 FJAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000049156540 221020035 /nfs/dbraw/zinc/02/00/35/221020035.db2.gz DBNXBFUYAKBDLU-RYUDHWBXSA-N 1 0 371.287 4.635 10 0 FJAERO Cc1cc([C@@H]([NH3+])c2cc(Br)ccc2Br)ccc1F ZINC000063055538 221142062 /nfs/dbraw/zinc/14/20/62/221142062.db2.gz JWIPZNMOOLMLQU-CQSZACIVSA-N 1 0 373.063 4.707 10 0 FJAERO CC[N@H+](Cc1ccccc1-c1nc(C)c(C)c(=O)[nH]1)C1CCCCCC1 ZINC000063856610 221143058 /nfs/dbraw/zinc/14/30/58/221143058.db2.gz LDTZJRKAYMOVDS-UHFFFAOYSA-N 1 0 353.510 4.598 10 0 FJAERO CCC[NH2+][C@@H](c1cccc(I)c1)C1=CCCCC1 ZINC000104020462 222348159 /nfs/dbraw/zinc/34/81/59/222348159.db2.gz DPNPUKBHNQYTQH-MRXNPFEDSA-N 1 0 355.263 4.832 10 0 FJAERO [NH3+][C@H](Cc1ccc(Br)cc1)Cc1c(Cl)cccc1Cl ZINC000109718541 222471120 /nfs/dbraw/zinc/47/11/20/222471120.db2.gz PPASIXRDSKBGIX-GFCCVEGCSA-N 1 0 359.094 4.868 10 0 FJAERO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccncc2)cc1 ZINC000011817506 263368492 /nfs/dbraw/zinc/36/84/92/263368492.db2.gz GELAQTJWAWUIOI-OAQYLSRUSA-N 1 0 360.505 4.732 10 0 FJAERO CC(C)(C)[C@]1(O)CC[N@@H+]2C[C@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 ZINC000013816290 560220539 /nfs/dbraw/zinc/22/05/39/560220539.db2.gz ZZJYIKPMDIWRSN-FBLLAGFSSA-N 1 0 361.529 4.845 10 0 in-vitro FJAERO CC[C@H](C)NC(=O)[C@@H]1C[C@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000034711227 570532647 /nfs/dbraw/zinc/53/26/47/570532647.db2.gz NHJJMBUYWWFFOX-AJSBUHFISA-N 1 0 364.533 4.515 10 0 FJAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000006116781 570641501 /nfs/dbraw/zinc/64/15/01/570641501.db2.gz BDSDCAVSQFALSF-CQSZACIVSA-N 1 0 353.491 4.598 10 0 FJAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccc(Br)cc1 ZINC000042959130 209271017 /nfs/dbraw/zinc/27/10/17/209271017.db2.gz JNVIORQALSJOOX-CHWSQXEVSA-N 1 0 357.342 4.785 10 0 FJAERO C[NH2+][C@H](c1ccc(I)cc1)c1c(C)cc(C)cc1C ZINC000035492379 207190380 /nfs/dbraw/zinc/19/03/80/207190380.db2.gz RZTBBUQHGHSAHY-QGZVFWFLSA-N 1 0 365.258 4.525 10 0 FJAERO Cc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)s1 ZINC000011912255 207329135 /nfs/dbraw/zinc/32/91/35/207329135.db2.gz UUJVJFFOMDKQFN-UHFFFAOYSA-N 1 0 355.482 4.965 10 0 FJAERO Cc1c([C@H](C)[NH2+]Cc2ccc3cccc(F)c3n2)cnn1-c1ccccc1 ZINC000012076100 207335471 /nfs/dbraw/zinc/33/54/71/207335471.db2.gz ZORCKVVKLSPJIR-HNNXBMFYSA-N 1 0 360.436 4.719 10 0 FJAERO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038003448 207798923 /nfs/dbraw/zinc/79/89/23/207798923.db2.gz FDWPDTFWMHTKLU-VXGBXAGGSA-N 1 0 354.313 4.801 10 0 FJAERO NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3)s2)s1 ZINC000023251797 207841166 /nfs/dbraw/zinc/84/11/66/207841166.db2.gz FMGSVHSKOSENGX-MRXNPFEDSA-N 1 0 368.527 4.913 10 0 FJAERO CC[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1Br ZINC000035539314 208130823 /nfs/dbraw/zinc/13/08/23/208130823.db2.gz XIUHCXIIYDWJAV-OAHLLOKOSA-N 1 0 369.100 4.911 10 0 FJAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(I)cc1 ZINC000035540219 208131289 /nfs/dbraw/zinc/13/12/89/208131289.db2.gz GOZZNPCMPGPOML-OAHLLOKOSA-N 1 0 371.649 4.644 10 0 FJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(I)cc1 ZINC000035573090 208133432 /nfs/dbraw/zinc/13/34/32/208133432.db2.gz JNLFKEJPIGUTJD-OAHLLOKOSA-N 1 0 371.287 4.750 10 0 FJAERO C[C@]([NH3+])(Cc1ccccc1Br)c1ccccc1Br ZINC000037531461 208182084 /nfs/dbraw/zinc/18/20/84/208182084.db2.gz KAVXLKYBVRLASY-HNNXBMFYSA-N 1 0 369.100 4.628 10 0 FJAERO C[NH2+][C@H](Cc1ccccc1Br)c1cccc(Br)c1 ZINC000037534915 208182330 /nfs/dbraw/zinc/18/23/30/208182330.db2.gz BQIKZKGOJVZIHV-OAHLLOKOSA-N 1 0 369.100 4.715 10 0 FJAERO Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2CCC[NH+](C)C)c1 ZINC000040404081 208253173 /nfs/dbraw/zinc/25/31/73/208253173.db2.gz DMCTVLAMUCFDDQ-UHFFFAOYSA-N 1 0 361.411 4.982 10 0 FJAERO Oc1ccc(C[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000039233831 208287052 /nfs/dbraw/zinc/28/70/52/208287052.db2.gz KTTKNWVMAWKNFO-DEOSSOPVSA-N 1 0 364.533 4.626 10 0 FJAERO Fc1ccc(/C=C2\C[NH2+]Cc3c(C(F)(F)F)nn(-c4ccccc4)c32)cc1 ZINC000043464049 208305151 /nfs/dbraw/zinc/30/51/51/208305151.db2.gz IANZYQGMYWUFJP-GXDHUFHOSA-N 1 0 373.353 4.674 10 0 FJAERO FC(F)(F)c1nc2ccccc2n1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095076854 209018103 /nfs/dbraw/zinc/01/81/03/209018103.db2.gz LLNYVNYXCAUIOA-QGZVFWFLSA-N 1 0 373.422 4.967 10 0 FJAERO FC(F)(F)c1nc2ccccc2n1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095076862 209018390 /nfs/dbraw/zinc/01/83/90/209018390.db2.gz SHUCNOWEBMXKMO-INIZCTEOSA-N 1 0 359.395 4.577 10 0 FJAERO C[C@@H]([NH2+]Cc1cc(Br)c(Br)o1)c1ccccc1 ZINC000050352932 221031185 /nfs/dbraw/zinc/03/11/85/221031185.db2.gz DQXIHYLJLFYGGE-SECBINFHSA-N 1 0 359.061 4.655 10 0 FJAERO C[NH2+]Cc1cc(Br)cnc1Oc1cc(Cl)cc(Cl)c1 ZINC000051571531 221035398 /nfs/dbraw/zinc/03/53/98/221035398.db2.gz MFWCZHPTEJGYRV-UHFFFAOYSA-N 1 0 362.054 4.663 10 0 FJAERO CCOc1cc2[nH+]ccc(Nc3ccc(C(C)=O)cc3)c2cc1OCC ZINC000054202395 221051351 /nfs/dbraw/zinc/05/13/51/221051351.db2.gz IFLOCEFRUCWUMC-UHFFFAOYSA-N 1 0 350.418 4.978 10 0 FJAERO CCOc1cc2[nH+]ccc(Nc3cccc(C(C)=O)c3)c2cc1OCC ZINC000054202433 221051858 /nfs/dbraw/zinc/05/18/58/221051858.db2.gz PEQNNSDPMNWJMF-UHFFFAOYSA-N 1 0 350.418 4.978 10 0 FJAERO Cc1ccc(O[C@@H](c2cc(Br)cs2)[C@@H](C)[NH3+])c(Cl)c1 ZINC000054349405 221053210 /nfs/dbraw/zinc/05/32/10/221053210.db2.gz XWUYYYXPJZTPOA-YMTOWFKASA-N 1 0 360.704 4.940 10 0 FJAERO COc1cc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)c(OC)cc1Cl ZINC000065005337 221163963 /nfs/dbraw/zinc/16/39/63/221163963.db2.gz ZHXVYVQZHSPLDW-UHFFFAOYSA-N 1 0 374.824 4.666 10 0 FJAERO C[NH+]1CCN(CCCN2c3ccccc3Sc3c(Cl)cccc32)CC1 ZINC000077285739 132178765 /nfs/dbraw/zinc/17/87/65/132178765.db2.gz FRPMPGQTRXUECE-UHFFFAOYSA-N 1 0 373.953 4.580 10 0 in-vitro FJAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000095077363 221844582 /nfs/dbraw/zinc/84/45/82/221844582.db2.gz GKRZWASALBCLSY-SJORKVTESA-N 1 0 372.875 4.559 10 0 FJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)C1CCCCC1 ZINC000103974903 222347312 /nfs/dbraw/zinc/34/73/12/222347312.db2.gz QSSCBYUULZLHNJ-OLZOCXBDSA-N 1 0 357.279 4.911 10 0 FJAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000103982698 222347443 /nfs/dbraw/zinc/34/74/43/222347443.db2.gz ROENYKRUQORVRR-CQSZACIVSA-N 1 0 361.066 4.835 10 0 FJAERO C[NH2+]C[C@@H](Cc1sccc1Br)Cc1cccc(Cl)c1 ZINC000103999340 222348346 /nfs/dbraw/zinc/34/83/46/222348346.db2.gz VUVJCWBVFLSVFN-GFCCVEGCSA-N 1 0 358.732 4.785 10 0 FJAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000006121021 570641508 /nfs/dbraw/zinc/64/15/08/570641508.db2.gz BDSDCAVSQFALSF-AWEZNQCLSA-N 1 0 353.491 4.598 10 0 FJAERO [NH3+]Cc1ccc(Br)cc1Sc1cccc(Br)c1 ZINC000104294660 209259990 /nfs/dbraw/zinc/25/99/90/209259990.db2.gz BUADWEQMWAAYIV-UHFFFAOYSA-N 1 0 373.113 4.822 10 0 FJAERO COc1cccc(C[NH2+][C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1 ZINC000012612670 220013716 /nfs/dbraw/zinc/01/37/16/220013716.db2.gz QCZWZOAOGPHHJW-SFHVURJKSA-N 1 0 353.510 4.586 10 0 FJAERO CCCC[NH+](CCCC)CCCNCc1ccc(Br)cc1 ZINC000013733381 220090717 /nfs/dbraw/zinc/09/07/17/220090717.db2.gz ZADPJLMCNFRJCT-UHFFFAOYSA-N 1 0 355.364 4.831 10 0 FJAERO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccccn2)cc1 ZINC000011816657 207323629 /nfs/dbraw/zinc/32/36/29/207323629.db2.gz FEBLYLWTHIIFGC-NRFANRHFSA-N 1 0 360.505 4.732 10 0 FJAERO Cc1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)n1 ZINC000012460120 207380380 /nfs/dbraw/zinc/38/03/80/207380380.db2.gz NVHMTJOKVLMLDM-HXUWFJFHSA-N 1 0 364.468 4.518 10 0 FJAERO COc1ccc(CCNc2c3ccccc3[nH+]c3c2CCCC3)cc1OC ZINC000031702620 208016467 /nfs/dbraw/zinc/01/64/67/208016467.db2.gz CWOSTJOZRVRLJV-UHFFFAOYSA-N 1 0 362.473 4.785 10 0 FJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccccc1I ZINC000035573115 208133704 /nfs/dbraw/zinc/13/37/04/208133704.db2.gz XPOWLKKDYWSLDH-HNNXBMFYSA-N 1 0 371.287 4.750 10 0 FJAERO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](CC(C)C)CC2)c1 ZINC000034683154 208104258 /nfs/dbraw/zinc/10/42/58/208104258.db2.gz GXKAEHJUCHAZRK-UHFFFAOYSA-N 1 0 372.534 4.524 10 0 FJAERO Oc1ccc(C[C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000039233830 208287207 /nfs/dbraw/zinc/28/72/07/208287207.db2.gz KTTKNWVMAWKNFO-XMMPIXPASA-N 1 0 364.533 4.626 10 0 FJAERO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccc(I)cc1 ZINC000049156546 208414967 /nfs/dbraw/zinc/41/49/67/208414967.db2.gz DBNXBFUYAKBDLU-NWDGAFQWSA-N 1 0 371.287 4.635 10 0 FJAERO [NH3+]CCCc1ccc2c(ccc(Cl)c2NC(=O)CC2CCCCC2)n1 ZINC000034434868 220756099 /nfs/dbraw/zinc/75/60/99/220756099.db2.gz BSVLCHROLUEOFQ-UHFFFAOYSA-N 1 0 359.901 4.688 10 0 FJAERO CC[NH2+][C@H](C)c1ccccc1Oc1ccc(I)cc1 ZINC000034666300 220757211 /nfs/dbraw/zinc/75/72/11/220757211.db2.gz MHQRSIREACALKS-GFCCVEGCSA-N 1 0 367.230 4.754 10 0 FJAERO CCCC[NH+]1CCC([C@@]2(O)c3ccccc3C[C@]2(C)c2ccccc2)CC1 ZINC000095930535 209087426 /nfs/dbraw/zinc/08/74/26/209087426.db2.gz HAWOUMPDLOJSBV-JWQCQUIFSA-N 1 0 363.545 4.900 10 0 FJAERO CCOc1cc2[nH+]ccc(Nc3ccc(C(=O)OC)cc3)c2cc1OCC ZINC000053994683 221049412 /nfs/dbraw/zinc/04/94/12/221049412.db2.gz VRCPGTFJTPRYGC-UHFFFAOYSA-N 1 0 366.417 4.562 10 0 FJAERO COc1cc2[nH+]ccc(Nc3cc(NC(C)=O)ccc3Cl)c2cc1OC ZINC000065005323 221164032 /nfs/dbraw/zinc/16/40/32/221164032.db2.gz SEKYCWZODIKKCN-UHFFFAOYSA-N 1 0 371.824 4.607 10 0 FJAERO C[N@@H+]1C[C@@H](c2ccccc2O)[C@H](c2cc(Cl)ccc2Br)C1 ZINC000065743344 221236182 /nfs/dbraw/zinc/23/61/82/221236182.db2.gz GSHVIOLHJDDSSY-GJZGRUSLSA-N 1 0 366.686 4.621 10 0 in-vitro FJAERO Cc1ccccc1-c1cccc(N2CCC([NH2+][C@H]3CCSC3)CC2)c1 ZINC000023581968 136153113 /nfs/dbraw/zinc/15/31/13/136153113.db2.gz FGABLZVJKSTEQC-FQEVSTJZSA-N 1 0 352.547 4.726 10 0 FJAERO [NH3+][C@H](Cc1sccc1Br)Cc1c(Cl)cccc1Cl ZINC000103944840 222346606 /nfs/dbraw/zinc/34/66/06/222346606.db2.gz ROAFYTVNVMKHTD-QMMMGPOBSA-N 1 0 365.123 4.930 10 0 FJAERO CC[NH+](CC)CCNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875185 520686860 /nfs/dbraw/zinc/68/68/60/520686860.db2.gz FDSUOMNCVFEZTG-UHFFFAOYSA-N 1 0 360.929 4.659 10 0 FJAERO Cc1[nH]c2ccccc2c1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000028878460 581093347 /nfs/dbraw/zinc/09/33/47/581093347.db2.gz CMIREZHKYCLJMD-UHFFFAOYSA-N 1 0 354.881 4.613 10 0 FJAERO CC[NH+](CC)CCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000013734100 220090456 /nfs/dbraw/zinc/09/04/56/220090456.db2.gz LWRQOVYVLWMPCD-UHFFFAOYSA-N 1 0 360.929 4.741 10 0 FJAERO C[C@H]([NH2+]Cc1cccc(Oc2ncccn2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000013731527 220090688 /nfs/dbraw/zinc/09/06/88/220090688.db2.gz DIURRZMBEDLQPN-KTIUQTLCSA-N 1 0 363.505 4.963 10 0 FJAERO CC(C)Cc1ccc([C@H]([NH3+])c2ccccc2I)cc1 ZINC000019230326 220241408 /nfs/dbraw/zinc/24/14/08/220241408.db2.gz UIRZGVVUXLPHHL-KRWDZBQOSA-N 1 0 365.258 4.538 10 0 FJAERO Clc1ccc([C@H](CC[NH+]2CCC2)c2ccc(-c3cn[nH]c3)cc2)cc1 ZINC000034434258 206812036 /nfs/dbraw/zinc/81/20/36/206812036.db2.gz PEEKZDAJUZOSLT-OAQYLSRUSA-N 1 0 351.881 4.958 10 0 FJAERO CCC(=O)O[C@H](CC)C(c1ccccc1)(c1ccccc1)[C@@H](C)C[NH+](C)C ZINC000002000611 206899857 /nfs/dbraw/zinc/89/98/57/206899857.db2.gz VONBPXAUFMFWKC-SIKLNZKXSA-N 1 0 367.533 4.902 10 0 FJAERO C[NH2+][C@@H](c1ccccc1I)c1c(C)cc(C)cc1C ZINC000035492442 207191555 /nfs/dbraw/zinc/19/15/55/207191555.db2.gz FOBBGLHELNSXRE-KRWDZBQOSA-N 1 0 365.258 4.525 10 0 FJAERO CCCc1ccc([C@@H]([NH2+]C)c2cccc(I)c2)cc1 ZINC000035496125 207193030 /nfs/dbraw/zinc/19/30/30/207193030.db2.gz HRTMQTOKDRBXSA-QGZVFWFLSA-N 1 0 365.258 4.553 10 0 FJAERO CC(C)c1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000009997010 207292504 /nfs/dbraw/zinc/29/25/04/207292504.db2.gz OMJYEDGKVITUJU-UHFFFAOYSA-N 1 0 350.506 4.703 10 0 FJAERO Cc1c([C@@H](C)[NH2+]Cc2ccc(O)c(Cl)c2)cnn1-c1cccc(F)c1 ZINC000012441800 207378420 /nfs/dbraw/zinc/37/84/20/207378420.db2.gz DBQBLZJWSGTTMU-GFCCVEGCSA-N 1 0 359.832 4.530 10 0 FJAERO COc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2Cl)c(Br)c1 ZINC000037444787 207605062 /nfs/dbraw/zinc/60/50/62/207605062.db2.gz UVKBTZXLQXPHCJ-CQSZACIVSA-N 1 0 361.066 4.813 10 0 FJAERO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]C2CCSCC2)C1 ZINC000012386475 207902117 /nfs/dbraw/zinc/90/21/17/207902117.db2.gz SYVFYLPDGXJQRD-GOSISDBHSA-N 1 0 359.514 4.510 10 0 FJAERO C[NH2+][C@@H](c1cccc(C)c1)c1cc(Br)ccc1Br ZINC000035467315 208126638 /nfs/dbraw/zinc/12/66/38/208126638.db2.gz JWTIRVQEXFDXCB-HNNXBMFYSA-N 1 0 369.100 4.829 10 0 FJAERO CC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(Br)cc1 ZINC000035538807 208129766 /nfs/dbraw/zinc/12/97/66/208129766.db2.gz SDJKKUIHGHMDKW-CYBMUJFWSA-N 1 0 359.061 4.504 10 0 FJAERO C[C@H](c1cccs1)[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000034894785 208113580 /nfs/dbraw/zinc/11/35/80/208113580.db2.gz CJIWJJMKLTZWPN-XLIONFOSSA-N 1 0 367.514 4.848 10 0 FJAERO Cc1ccc(C[NH+]2CCC(N(C(=O)C(C)C)c3ccccc3)CC2)cc1 ZINC000037560287 208182398 /nfs/dbraw/zinc/18/23/98/208182398.db2.gz AILMSUHINFZGTL-UHFFFAOYSA-N 1 0 350.506 4.649 10 0 FJAERO COc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2Cl)cc1Br ZINC000020522169 220331365 /nfs/dbraw/zinc/33/13/65/220331365.db2.gz NLQIYAAKKJNBBV-CQSZACIVSA-N 1 0 361.066 4.813 10 0 FJAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000020586893 220335518 /nfs/dbraw/zinc/33/55/18/220335518.db2.gz DAAWAPOAFMCZIC-AWEZNQCLSA-N 1 0 361.066 4.813 10 0 FJAERO CC[C@H](C)c1ccc([C@@H]([NH3+])c2ccccc2I)cc1 ZINC000021504610 220358422 /nfs/dbraw/zinc/35/84/22/220358422.db2.gz CLWDXWVIZYWVOC-YVEFUNNKSA-N 1 0 365.258 4.853 10 0 FJAERO C[NH2+][C@H](C)c1c(F)cccc1Oc1ccccc1I ZINC000035454490 220784531 /nfs/dbraw/zinc/78/45/31/220784531.db2.gz AYXUQUQJJBCVSE-SNVBAGLBSA-N 1 0 371.193 4.503 10 0 FJAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(Cl)cc(Br)c1OC ZINC000035457964 220784540 /nfs/dbraw/zinc/78/45/40/220784540.db2.gz RESWNRPIYCIOPA-ZDUSSCGKSA-N 1 0 360.704 4.790 10 0 FJAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC000053789252 221048621 /nfs/dbraw/zinc/04/86/21/221048621.db2.gz RQWIPXRLMIYNSM-AWEZNQCLSA-N 1 0 373.063 4.593 10 0 FJAERO Cc1cc(Br)ccc1O[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000063061724 221142085 /nfs/dbraw/zinc/14/20/85/221142085.db2.gz SANWVPXILUKQAW-OTYXRUKQSA-N 1 0 360.704 4.940 10 0 FJAERO COc1cc2c(cc1OC)[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC2 ZINC000066345758 221245418 /nfs/dbraw/zinc/24/54/18/221245418.db2.gz YDSAXZXFUOAJSV-QGZVFWFLSA-N 1 0 365.395 4.542 10 0 FJAERO C[N@@H+]1CCc2c(c(-c3cccc(C(F)(F)F)c3)nn2Cc2ccccc2)C1 ZINC000080213497 221695674 /nfs/dbraw/zinc/69/56/74/221695674.db2.gz NKRIFCDXTFTLAZ-UHFFFAOYSA-N 1 0 371.406 4.605 10 0 FJAERO Cc1ccc2c(CC[NH2+]CCc3cn(C)c4cc(C)ccc34)cn(C)c2c1 ZINC000098210226 222229965 /nfs/dbraw/zinc/22/99/65/222229965.db2.gz RXLUEMSWLQZWCC-UHFFFAOYSA-N 1 0 359.517 4.662 10 0 FJAERO CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1I ZINC000104183521 222352636 /nfs/dbraw/zinc/35/26/36/222352636.db2.gz DVMFAQYOPCIPDC-QGZVFWFLSA-N 1 0 365.258 4.575 10 0 FJAERO Fc1cccc(Br)c1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000394740368 568504949 /nfs/dbraw/zinc/50/49/49/568504949.db2.gz IKCXVTBYCLNYPG-NXEZZACHSA-N 1 0 354.185 4.799 10 0 FJAERO CCn1c(C)[n+](CCOc2ccccc2)c2cc(Cl)c(Cl)cc21 ZINC000001497036 571121556 /nfs/dbraw/zinc/12/15/56/571121556.db2.gz SYNNNBNWGZFHOX-UHFFFAOYSA-N 1 0 350.269 4.643 10 0 FJAERO NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3)s2)s1 ZINC000023251794 571237309 /nfs/dbraw/zinc/23/73/09/571237309.db2.gz FMGSVHSKOSENGX-INIZCTEOSA-N 1 0 368.527 4.913 10 0 FJAERO Clc1ccc(C[N@@H+]2CCC[C@H](Nc3cccc4cnccc43)C2)cc1 ZINC000028642270 581098786 /nfs/dbraw/zinc/09/87/86/581098786.db2.gz AHBYTGBWKOEDEE-IBGZPJMESA-N 1 0 351.881 4.965 10 0 FJAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccc2ncccc21 ZINC000115551465 209341850 /nfs/dbraw/zinc/34/18/50/209341850.db2.gz HFLUYXICAKBDLY-KBPBESRZSA-N 1 0 353.853 4.566 10 0 FJAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cs1)c1cccc(Br)c1 ZINC000043024613 209274239 /nfs/dbraw/zinc/27/42/39/209274239.db2.gz ZVTSFCHZPROYMK-QWHCGFSZSA-N 1 0 357.342 4.785 10 0 FJAERO CC[NH2+][C@@H](c1cccc(I)c1)C1=CCCCCC1 ZINC000104001216 209257490 /nfs/dbraw/zinc/25/74/90/209257490.db2.gz ZYAHNQPDRWXIKP-MRXNPFEDSA-N 1 0 355.263 4.832 10 0 FJAERO Cc1ccc([C@@H]2CN(C(=O)CC(C)C)C[C@H]2C[N@H+](C)C2CCCCC2)cc1 ZINC000096281450 209148823 /nfs/dbraw/zinc/14/88/23/209148823.db2.gz AXWKAMPAVRVVRJ-GGAORHGYSA-N 1 0 370.581 4.848 10 0 FJAERO Cc1c(F)c(Oc2ccccc2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F ZINC000013473983 220069463 /nfs/dbraw/zinc/06/94/63/220069463.db2.gz SZLVLFLVQNHHRF-UHFFFAOYSA-N 1 0 355.344 4.537 10 0 FJAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)Oc1ccccc1 ZINC000013532669 220072516 /nfs/dbraw/zinc/07/25/16/220072516.db2.gz AAEKULYONKUBOZ-NBYUQASBSA-N 1 0 355.865 4.512 10 0 in-vitro FJAERO CCCC[NH+](CCCC)CCCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000013733710 220091052 /nfs/dbraw/zinc/09/10/52/220091052.db2.gz IKXDEESJDLEKGB-UHFFFAOYSA-N 1 0 370.965 4.739 10 0 FJAERO CC[NH+](CC)CCCNCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013734677 220091458 /nfs/dbraw/zinc/09/14/58/220091458.db2.gz FFZZTLDSRGFVMW-UHFFFAOYSA-N 1 0 360.929 4.741 10 0 FJAERO Cc1ccsc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000015005427 220139576 /nfs/dbraw/zinc/13/95/76/220139576.db2.gz LGXHZTYIDBAMDV-INIZCTEOSA-N 1 0 355.482 4.965 10 0 FJAERO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cn1 ZINC000012308640 207359178 /nfs/dbraw/zinc/35/91/78/207359178.db2.gz PFRYBMOBQDWTEM-OAQYLSRUSA-N 1 0 358.489 4.529 10 0 FJAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cc(Br)ccc1F ZINC000035462568 208126890 /nfs/dbraw/zinc/12/68/90/208126890.db2.gz GIVASWVMYZKLDJ-CQSZACIVSA-N 1 0 373.063 4.660 10 0 FJAERO C[NH2+][C@H](c1ccc(F)cc1)c1cc(Br)ccc1Br ZINC000035467330 208126946 /nfs/dbraw/zinc/12/69/46/208126946.db2.gz HTQFSBFKSGGSMC-CQSZACIVSA-N 1 0 373.063 4.660 10 0 FJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1cccc(I)c1 ZINC000035552144 208130227 /nfs/dbraw/zinc/13/02/27/208130227.db2.gz XYHSFQVRNRFRAF-HNNXBMFYSA-N 1 0 371.287 4.668 10 0 FJAERO CCC[NH2+][C@H](c1cc(Br)ccc1Br)[C@@H]1C[C@@H]1C ZINC000035578662 208132501 /nfs/dbraw/zinc/13/25/01/208132501.db2.gz AYRUJGBZAKRGII-PXWWUCIGSA-N 1 0 361.121 4.908 10 0 FJAERO COc1cc2c(cc1OC)CC(CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000035643689 208132830 /nfs/dbraw/zinc/13/28/30/208132830.db2.gz DUOWFFYJKGBOQB-UHFFFAOYSA-N 1 0 365.517 4.721 10 0 in-vitro FJAERO Cc1ccc(Oc2cc(Br)ccc2C[NH3+])c(Br)c1 ZINC000036670744 208169016 /nfs/dbraw/zinc/16/90/16/208169016.db2.gz DBSJYZMCORSOGF-UHFFFAOYSA-N 1 0 371.072 4.771 10 0 FJAERO C[C@]([NH3+])(Cc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000037531393 208183261 /nfs/dbraw/zinc/18/32/61/208183261.db2.gz RANSICPMTHSZDB-HNNXBMFYSA-N 1 0 369.100 4.628 10 0 FJAERO c1ccc2[nH]c(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1 ZINC000040919151 208275036 /nfs/dbraw/zinc/27/50/36/208275036.db2.gz ZDSPTXNJRKVNMY-UHFFFAOYSA-N 1 0 351.450 4.610 10 0 FJAERO C[NH+](C)CCCn1c2cc(Cl)ccc2nc1Cc1ccc(Cl)cc1 ZINC000040404211 208252287 /nfs/dbraw/zinc/25/22/87/208252287.db2.gz ZIIYVGBXAIMALU-UHFFFAOYSA-N 1 0 362.304 4.886 10 0 FJAERO CC[NH+](CC)CCn1c(COc2cccc(C)c2)nc2cc(Cl)ccc21 ZINC000040405663 208252309 /nfs/dbraw/zinc/25/23/09/208252309.db2.gz MGHQAJADRKTAHE-UHFFFAOYSA-N 1 0 371.912 4.919 10 0 FJAERO CC[NH+](CC)CCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040405651 208253186 /nfs/dbraw/zinc/25/31/86/208253186.db2.gz MCIWFOABAYAFBZ-UHFFFAOYSA-N 1 0 357.885 4.611 10 0 FJAERO [NH3+][C@H](Cc1ccc(F)c(Br)c1)c1ccc(Br)cc1 ZINC000049598850 208421661 /nfs/dbraw/zinc/42/16/61/208421661.db2.gz NXTKDCZZTKLKNI-CQSZACIVSA-N 1 0 373.063 4.593 10 0 FJAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000095077360 209018648 /nfs/dbraw/zinc/01/86/48/209018648.db2.gz GKRZWASALBCLSY-DLBZAZTESA-N 1 0 372.875 4.559 10 0 FJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(Br)ccc1OC ZINC000051171630 221034819 /nfs/dbraw/zinc/03/48/19/221034819.db2.gz NUNZFIIIEWGZJO-AWEZNQCLSA-N 1 0 360.704 4.872 10 0 FJAERO Cc1ccc(O[C@H](c2cc(Br)cs2)[C@H](C)[NH3+])c(Cl)c1 ZINC000054349414 221053309 /nfs/dbraw/zinc/05/33/09/221053309.db2.gz XWUYYYXPJZTPOA-XPTSAGLGSA-N 1 0 360.704 4.940 10 0 FJAERO Clc1ccc(CN2CCC[C@]23CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000096071386 222012430 /nfs/dbraw/zinc/01/24/30/222012430.db2.gz BMOYMFXRDYIDFF-QFIPXVFZSA-N 1 0 354.925 4.971 10 0 FJAERO [NH3+]C[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1Br ZINC000103979244 222346435 /nfs/dbraw/zinc/34/64/35/222346435.db2.gz QDPWVJYKUDWMIS-AWEZNQCLSA-N 1 0 361.066 4.835 10 0 FJAERO CN1CCCC[C@@H]1CNc1c(Cl)cc(Br)cc1Cl ZINC000104037291 222348933 /nfs/dbraw/zinc/34/89/33/222348933.db2.gz ZXFDNERNDASNGY-SNVBAGLBSA-N 1 0 352.103 4.652 10 0 FJAERO Cc1cc2[nH]c(C(=O)Nc3cccc(Cl)c3F)c(C[NH+](C)C)c2s1 ZINC000075487913 570614424 /nfs/dbraw/zinc/61/44/24/570614424.db2.gz AHXBSMOTHNBVJP-UHFFFAOYSA-N 1 0 365.861 4.644 10 0 FJAERO CCOc1ccc(-c2nc(C[NH2+]CCc3ccc(F)cc3)cs2)cc1 ZINC000023844683 570967618 /nfs/dbraw/zinc/96/76/18/570967618.db2.gz HJGJOLDKWLWWMZ-UHFFFAOYSA-N 1 0 356.466 4.680 10 0 FJAERO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c(C)cc1I ZINC000675075253 571272479 /nfs/dbraw/zinc/27/24/79/571272479.db2.gz JFZYMQFHOAWELA-SMDDNHRTSA-N 1 0 357.279 4.528 10 0 FJAERO CCC1(C)CC[NH+](Cc2cc(C)c(I)cc2C)CC1 ZINC000675075928 571272558 /nfs/dbraw/zinc/27/25/58/571272558.db2.gz XFIXFXDAGWSPNT-UHFFFAOYSA-N 1 0 371.306 4.920 10 0 FJAERO Cc1ccc2c(c1)CN(C1CC[NH+](C(C)C)CC1)C[C@H](c1ccsc1)O2 ZINC000020323571 571328743 /nfs/dbraw/zinc/32/87/43/571328743.db2.gz VALKDEYLRRFRMW-JOCHJYFZSA-N 1 0 370.562 4.865 10 0 FJAERO c1ccc2oc(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1 ZINC000040919149 581092078 /nfs/dbraw/zinc/09/20/78/581092078.db2.gz RUOSQGLZVMYCMI-UHFFFAOYSA-N 1 0 352.434 4.875 10 0 in-vivo FJAERO Clc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc4cnccc43)C2)cc1 ZINC000028642268 581098821 /nfs/dbraw/zinc/09/88/21/581098821.db2.gz AHBYTGBWKOEDEE-LJQANCHMSA-N 1 0 351.881 4.965 10 0 FJAERO Cc1ccc2oc(-c3cc[n+](Cc4ccc(F)cc4Cl)cc3)nc2c1 ZINC000226307733 222883953 /nfs/dbraw/zinc/88/39/53/222883953.db2.gz IQAMVFGZRNJJDB-UHFFFAOYSA-N 1 0 353.804 4.932 10 0 FJAERO Clc1ccc(OC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000146539817 209381557 /nfs/dbraw/zinc/38/15/57/209381557.db2.gz PYGLAWNLUMTKHV-UHFFFAOYSA-N 1 0 354.881 4.907 10 0 FJAERO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CC[NH+](CC2CC2)CC1 ZINC000012112324 219953676 /nfs/dbraw/zinc/95/36/76/219953676.db2.gz USZMPYDZIBYNBJ-UHFFFAOYSA-N 1 0 373.500 4.895 10 0 FJAERO Clc1ccc(CN2CCC[C@@]23CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000096071387 209107399 /nfs/dbraw/zinc/10/73/99/209107399.db2.gz BMOYMFXRDYIDFF-JOCHJYFZSA-N 1 0 354.925 4.971 10 0 FJAERO CCC[C@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003607712 206799446 /nfs/dbraw/zinc/79/94/46/206799446.db2.gz QCZWEUWSYTUCRT-DHIUTWEWSA-N 1 0 353.506 4.549 10 0 FJAERO COc1cc2c(cc1OC)[C@@H]1C[C@H](c3ccc(Cl)cc3)CC[N@@H+]1CC2 ZINC000006017858 207126518 /nfs/dbraw/zinc/12/65/18/207126518.db2.gz GMZAHGCTRHHQKR-BEFAXECRSA-N 1 0 357.881 4.834 10 0 in-man FJAERO C[NH2+][C@H](c1cccc(I)c1)c1c(C)cc(C)cc1C ZINC000035492373 207190297 /nfs/dbraw/zinc/19/02/97/207190297.db2.gz GKKBAXRUPQMUMK-QGZVFWFLSA-N 1 0 365.258 4.525 10 0 FJAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1ccc(OC)cc1Cl ZINC000036768617 207295181 /nfs/dbraw/zinc/29/51/81/207295181.db2.gz GDARHPQITNDIIQ-CQSZACIVSA-N 1 0 360.704 4.872 10 0 FJAERO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000012573369 207395856 /nfs/dbraw/zinc/39/58/56/207395856.db2.gz GGRZQXSRAWBTHR-QGZVFWFLSA-N 1 0 352.865 4.916 10 0 FJAERO C[C@@H]1CCc2c(sc3ncnc(NC4CC(C)(C)[NH2+]C(C)(C)C4)c23)C1 ZINC000020321329 207732175 /nfs/dbraw/zinc/73/21/75/207732175.db2.gz JYQHTKPYGCPZAO-GFCCVEGCSA-N 1 0 358.555 4.537 10 0 FJAERO C[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1Br ZINC000035462936 208126206 /nfs/dbraw/zinc/12/62/06/208126206.db2.gz WNMWGZSDHJZJQJ-CQSZACIVSA-N 1 0 355.073 4.520 10 0 FJAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cc(Br)ccc1Br ZINC000035467329 208126878 /nfs/dbraw/zinc/12/68/78/208126878.db2.gz HTQFSBFKSGGSMC-AWEZNQCLSA-N 1 0 373.063 4.660 10 0 FJAERO C[NH2+][C@H](c1ccc(Br)cc1)c1ccc(Br)cc1F ZINC000035462557 208127093 /nfs/dbraw/zinc/12/70/93/208127093.db2.gz PMFBSCIDKJDQQG-CQSZACIVSA-N 1 0 373.063 4.660 10 0 FJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1cccc(I)c1 ZINC000035537471 208131513 /nfs/dbraw/zinc/13/15/13/208131513.db2.gz GRRYCLGDVPKNAN-OAHLLOKOSA-N 1 0 371.287 4.614 10 0 FJAERO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000045643835 208335556 /nfs/dbraw/zinc/33/55/56/208335556.db2.gz ZGAQULIOYWWTEC-CHWSQXEVSA-N 1 0 351.277 4.980 10 0 FJAERO C[C@H]1CCc2c(sc3ncnc(NC4CC(C)(C)[NH2+]C(C)(C)C4)c23)C1 ZINC000020321332 220322602 /nfs/dbraw/zinc/32/26/02/220322602.db2.gz JYQHTKPYGCPZAO-LBPRGKRZSA-N 1 0 358.555 4.537 10 0 FJAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000062770945 208605834 /nfs/dbraw/zinc/60/58/34/208605834.db2.gz VCOYVWZDNQKRDV-VIFPVBQESA-N 1 0 373.088 4.622 10 0 FJAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cc(F)cc(Br)c1 ZINC000035462395 220785371 /nfs/dbraw/zinc/78/53/71/220785371.db2.gz VXNDWEMZNTXDFG-AWEZNQCLSA-N 1 0 373.063 4.660 10 0 FJAERO CC[NH+](CC)Cc1cccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)c1 ZINC000063871124 221145411 /nfs/dbraw/zinc/14/54/11/221145411.db2.gz DEVPAJFPQUQOMZ-UHFFFAOYSA-N 1 0 367.880 4.599 10 0 FJAERO COc1cccc([C@H](C)NC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)c1 ZINC000065238998 221184550 /nfs/dbraw/zinc/18/45/50/221184550.db2.gz ZZFOUDSOVVIVRQ-AWEZNQCLSA-N 1 0 370.518 4.506 10 0 FJAERO CCCCOC(=O)c1ccc(NC(=O)[C@@H](CCCC)[NH+]2CCCCC2)cc1 ZINC000095936244 209086514 /nfs/dbraw/zinc/08/65/14/209086514.db2.gz YVXFZRGWIUTMIN-HXUWFJFHSA-N 1 0 374.525 4.627 10 0 FJAERO Cc1ccc([C@@H]2CN(C(=O)CC(C)C)C[C@@H]2C[N@H+](C)C2CCCCC2)cc1 ZINC000096281448 222109230 /nfs/dbraw/zinc/10/92/30/222109230.db2.gz AXWKAMPAVRVVRJ-GMAHTHKFSA-N 1 0 370.581 4.848 10 0 FJAERO CCC[NH2+][C@@H](c1cc(C)oc1C)c1cccc(I)c1 ZINC000104001170 222349067 /nfs/dbraw/zinc/34/90/67/222349067.db2.gz RXLYAOALHDYOQP-MRXNPFEDSA-N 1 0 369.246 4.590 10 0 FJAERO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccncc2)cc1 ZINC000011817505 263368083 /nfs/dbraw/zinc/36/80/83/263368083.db2.gz GELAQTJWAWUIOI-NRFANRHFSA-N 1 0 360.505 4.732 10 0 FJAERO Cc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)cc1 ZINC000073684268 525818119 /nfs/dbraw/zinc/81/81/19/525818119.db2.gz PBCSXFZHXKJARL-UHFFFAOYSA-N 1 0 358.489 4.531 10 0 FJAERO CC(C)[NH2+]CC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000725271466 570542251 /nfs/dbraw/zinc/54/22/51/570542251.db2.gz GABMCQVACQMFHZ-HNNXBMFYSA-N 1 0 360.420 4.659 10 0 FJAERO CC[C@H](C)NC(=O)[C@H]1C[C@@H](c2cccc(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000105045528 570867026 /nfs/dbraw/zinc/86/70/26/570867026.db2.gz NHJJMBUYWWFFOX-PMOQBDJRSA-N 1 0 364.533 4.515 10 0 FJAERO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(C)cc1I ZINC000675075250 571272436 /nfs/dbraw/zinc/27/24/36/571272436.db2.gz JFZYMQFHOAWELA-BXUZGUMPSA-N 1 0 357.279 4.528 10 0 FJAERO Cc1cc(C[NH+]2[C@H](C)CCC[C@H]2C)c(C)cc1I ZINC000675075170 571272489 /nfs/dbraw/zinc/27/24/89/571272489.db2.gz HJGZMWMLVHFPDO-ZIAGYGMSSA-N 1 0 357.279 4.671 10 0 FJAERO