smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Br)cc(CN2CCC[N@@H+](C3CCOCC3)CC2)c1[O-] ZINC000093513032 551194947 /nfs/dbraw/zinc/19/49/47/551194947.db2.gz LSGOROPVTWHABP-UHFFFAOYSA-N 0 3 399.329 2.850 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[N@H+](C3CCOCC3)CC2)c1[O-] ZINC000093513032 551194951 /nfs/dbraw/zinc/19/49/51/551194951.db2.gz LSGOROPVTWHABP-UHFFFAOYSA-N 0 3 399.329 2.850 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000180798278 552236040 /nfs/dbraw/zinc/23/60/40/552236040.db2.gz VOCADSWNASJQJO-GFCCVEGCSA-N 0 3 381.274 2.667 20 10 GFCDHN Cc1cc(Br)cc(CN2CCC3(CC2)SCC(=O)N3C)c1O ZINC000376884628 563456843 /nfs/dbraw/zinc/45/68/43/563456843.db2.gz ZKJWPVWWDXYQHO-UHFFFAOYSA-N 0 3 385.327 2.960 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000377724253 563484046 /nfs/dbraw/zinc/48/40/46/563484046.db2.gz PWMBDHXFLQTRPV-NSHDSACASA-N 0 3 393.285 2.745 20 10 GFCDHN O=S(=O)(NCCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1Cl ZINC000834789581 660833158 /nfs/dbraw/zinc/83/31/58/660833158.db2.gz DQZWTGFEESWYTO-OAHLLOKOSA-N 0 3 380.897 2.991 20 10 GFCDHN CN(C)CCN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000267878132 654949882 /nfs/dbraw/zinc/94/98/82/654949882.db2.gz NGRJGLUDPHMQQN-OWBHPGMISA-N 0 3 397.591 2.750 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000725847504 655527907 /nfs/dbraw/zinc/52/79/07/655527907.db2.gz OKSOBINUPCICNG-CQSZACIVSA-N 0 3 378.270 2.909 20 10 GFCDHN CN(C)Cc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cc1 ZINC000796190247 658898895 /nfs/dbraw/zinc/89/88/95/658898895.db2.gz DMWXKMZRKIGWOQ-UHFFFAOYSA-N 0 3 399.310 2.695 20 10 GFCDHN CN(C)c1ccc(C[NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000799344515 659183190 /nfs/dbraw/zinc/18/31/90/659183190.db2.gz DCGDZYDTICINJS-UHFFFAOYSA-N 0 3 385.892 2.613 20 10 GFCDHN COc1cc(Br)cc(CN[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000815154737 660114733 /nfs/dbraw/zinc/11/47/33/660114733.db2.gz RNHDRDCLEXCXBS-AWEZNQCLSA-N 0 3 379.254 2.870 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1[O-] ZINC000848534910 661662540 /nfs/dbraw/zinc/66/25/40/661662540.db2.gz WDCBKGJORDMZPC-JCRCQARHSA-N 0 3 383.286 2.823 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c1[O-] ZINC000848554066 661664108 /nfs/dbraw/zinc/66/41/08/661664108.db2.gz QQAUVWKHJXBXSC-JSGCOSHPSA-N 0 3 387.318 2.661 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000848553277 661664397 /nfs/dbraw/zinc/66/43/97/661664397.db2.gz SEOPNDJGJJDRIG-ZKYQVNSYSA-N 0 3 383.286 2.967 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000895345113 663509541 /nfs/dbraw/zinc/50/95/41/663509541.db2.gz XQMJBHPWTGXNOT-AWEZNQCLSA-N 0 3 398.301 2.543 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)NCCC2SCCS2)N(C)C)cc1 ZINC000895878199 663531637 /nfs/dbraw/zinc/53/16/37/663531637.db2.gz GZXQQLMZMRMJHQ-INIZCTEOSA-N 0 3 382.599 2.851 20 10 GFCDHN CN(C)c1ccc([C@H](CNCc2ccc(S(C)(=O)=O)s2)N(C)C)cc1 ZINC000898448798 663650062 /nfs/dbraw/zinc/65/00/62/663650062.db2.gz XIDUYPJOOULLOA-KRWDZBQOSA-N 0 3 381.567 2.610 20 10 GFCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000179846652 552204960 /nfs/dbraw/zinc/20/49/60/552204960.db2.gz JVTPCWVXLUVPIZ-INIZCTEOSA-N 0 3 390.318 2.697 20 10 GFCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000179846652 552204961 /nfs/dbraw/zinc/20/49/61/552204961.db2.gz JVTPCWVXLUVPIZ-INIZCTEOSA-N 0 3 390.318 2.697 20 10 GFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000372121958 563296577 /nfs/dbraw/zinc/29/65/77/563296577.db2.gz ROSBSOWGEMSRBP-QGZVFWFLSA-N 0 3 385.302 2.519 20 10 GFCDHN C[C@@](CO)(NCc1cc2c(cc1O)OCO2)c1ccc(Br)cc1 ZINC000285519312 563525124 /nfs/dbraw/zinc/52/51/24/563525124.db2.gz OEPOPXXDNAKZCG-KRWDZBQOSA-N 0 3 380.238 2.881 20 10 GFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529359643 564831268 /nfs/dbraw/zinc/83/12/68/564831268.db2.gz MHSSDFJETSXPQJ-HNNXBMFYSA-N 0 3 382.302 2.971 20 10 GFCDHN CCC[N@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccc1O ZINC000736472070 598524115 /nfs/dbraw/zinc/52/41/15/598524115.db2.gz SUSJHJHCTNLYCT-UHFFFAOYSA-N 0 3 386.481 2.875 20 10 GFCDHN CCC[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccc1O ZINC000736472070 598524116 /nfs/dbraw/zinc/52/41/16/598524116.db2.gz SUSJHJHCTNLYCT-UHFFFAOYSA-N 0 3 386.481 2.875 20 10 GFCDHN O=S(=O)([N-]CC[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1F ZINC000834789955 660833104 /nfs/dbraw/zinc/83/31/04/660833104.db2.gz JXIXKAHMCZLIAT-AWEZNQCLSA-N 0 3 384.860 2.740 20 10 GFCDHN O=S(=O)(NCCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1Cl ZINC000834789580 660833201 /nfs/dbraw/zinc/83/32/01/660833201.db2.gz DQZWTGFEESWYTO-HNNXBMFYSA-N 0 3 380.897 2.991 20 10 GFCDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702554343 655521682 /nfs/dbraw/zinc/52/16/82/655521682.db2.gz UNNJNENQALCDNG-IBGZPJMESA-N 0 3 391.309 2.881 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000754079181 655863346 /nfs/dbraw/zinc/86/33/46/655863346.db2.gz GNVIDTIGOUMIMJ-CVEARBPZSA-N 0 3 396.281 2.738 20 10 GFCDHN COc1cc(Br)cc(CNCc2ccc3c(c2)C(=O)NCC3)c1O ZINC000757940525 655919344 /nfs/dbraw/zinc/91/93/44/655919344.db2.gz NDOMGHZGIDPXQR-UHFFFAOYSA-N 0 3 391.265 2.739 20 10 GFCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779054384 656898230 /nfs/dbraw/zinc/89/82/30/656898230.db2.gz WTPLQQABASFVJS-UHOFOFEASA-N 0 3 388.302 2.934 20 10 GFCDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000806174024 659826818 /nfs/dbraw/zinc/82/68/18/659826818.db2.gz QMRYXAJNKVSTPK-LSDHHAIUSA-N 0 3 386.945 2.652 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1[O-] ZINC000816667195 660164628 /nfs/dbraw/zinc/16/46/28/660164628.db2.gz GIQSLCVHFHBERQ-IRXDYDNUSA-N 0 3 386.286 2.573 20 10 GFCDHN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1NCCc2ccccc21 ZINC000841997720 661319143 /nfs/dbraw/zinc/31/91/43/661319143.db2.gz OZCQOFAVUGQPIW-INIZCTEOSA-N 0 3 390.281 2.841 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000848546189 661663036 /nfs/dbraw/zinc/66/30/36/661663036.db2.gz USOLVPIYVHWDCS-ABAIWWIYSA-N 0 3 388.302 2.992 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1[O-] ZINC000848552989 661663404 /nfs/dbraw/zinc/66/34/04/661663404.db2.gz HABVLKOEPOWHGB-TZMCWYRMSA-N 0 3 387.318 2.661 20 10 GFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848550788 661663592 /nfs/dbraw/zinc/66/35/92/661663592.db2.gz WISWRRNLWPFMJT-CABZTGNLSA-N 0 3 391.331 2.682 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c1[O-] ZINC000848552985 661663664 /nfs/dbraw/zinc/66/36/64/661663664.db2.gz HABVLKOEPOWHGB-JSGCOSHPSA-N 0 3 387.318 2.661 20 10 GFCDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(Br)cn1 ZINC000850494623 661779306 /nfs/dbraw/zinc/77/93/06/661779306.db2.gz RDVSGVOVRSZDHT-CYBMUJFWSA-N 0 3 376.254 2.557 20 10 GFCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1cc(Br)no1)C[C@H]1CCCO1 ZINC000878240976 662892193 /nfs/dbraw/zinc/89/21/93/662892193.db2.gz OPCKBVKRZJJNEJ-HIFRSBDPSA-N 0 3 397.269 2.857 20 10 GFCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1cc(Br)no1)C[C@H]1CCCO1 ZINC000878240976 662892194 /nfs/dbraw/zinc/89/21/94/662892194.db2.gz OPCKBVKRZJJNEJ-HIFRSBDPSA-N 0 3 397.269 2.857 20 10 GFCDHN CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882979958 663045994 /nfs/dbraw/zinc/04/59/94/663045994.db2.gz UMULNAIVGXXNKE-ZDUSSCGKSA-N 0 3 388.325 2.657 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1[O-] ZINC000886736982 663116606 /nfs/dbraw/zinc/11/66/06/663116606.db2.gz OZWAEVHVMFDPEM-NSHDSACASA-N 0 3 391.331 2.538 20 10 GFCDHN O=S1(=O)C[C@H]2CN(Cc3c(O)ccc4cc(Br)ccc43)C[C@H]2C1 ZINC000902615704 663764517 /nfs/dbraw/zinc/76/45/17/663764517.db2.gz SBMWXYIPNBZGAZ-BETUJISGSA-N 0 3 396.306 2.784 20 10 GFCDHN O=S1(=O)C[C@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]2C1 ZINC000902615704 663764519 /nfs/dbraw/zinc/76/45/19/663764519.db2.gz SBMWXYIPNBZGAZ-BETUJISGSA-N 0 3 396.306 2.784 20 10 GFCDHN O=S1(=O)C[C@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]2C1 ZINC000902615704 663764522 /nfs/dbraw/zinc/76/45/22/663764522.db2.gz SBMWXYIPNBZGAZ-BETUJISGSA-N 0 3 396.306 2.784 20 10 GFCDHN CC[C@H](c1ccccc1O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000377711154 563483849 /nfs/dbraw/zinc/48/38/49/563483849.db2.gz YUWCKENORRRJHH-UMVBOHGHSA-N 0 3 380.432 2.597 20 10 GFCDHN COc1ccc(N2CC[C@@H](CNCc3c(Br)cnn3C)C2)cc1 ZINC000818219775 660219803 /nfs/dbraw/zinc/21/98/03/660219803.db2.gz DFPVWPFGCOZUNC-ZDUSSCGKSA-N 0 3 379.302 2.807 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+]CCn2cc(Br)ccc2=O)c1[O-] ZINC000824543630 660396405 /nfs/dbraw/zinc/39/64/05/660396405.db2.gz MUOUFOFCOJAROT-UHFFFAOYSA-N 0 3 387.661 2.768 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c1[O-] ZINC000825327667 660420812 /nfs/dbraw/zinc/42/08/12/660420812.db2.gz UEGHXMUCUIMARX-ZFWWWQNUSA-N 0 3 396.285 2.907 20 10 GFCDHN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045993 655348758 /nfs/dbraw/zinc/34/87/58/655348758.db2.gz ZORPAFOMANHFRL-KGLIPLIRSA-N 0 3 376.469 2.670 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CCC(=O)Nc2ccccn2)c1[O-] ZINC000725849303 655527921 /nfs/dbraw/zinc/52/79/21/655527921.db2.gz ZJHWHGCMNIXHJL-UHFFFAOYSA-N 0 3 380.242 2.677 20 10 GFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@@]12CCCO2 ZINC000759175927 655950045 /nfs/dbraw/zinc/95/00/45/655950045.db2.gz GPZIOECTDFNAJS-UXLLHSPISA-N 0 3 386.286 2.980 20 10 GFCDHN C[C@H]1CN(Cc2cccc(Br)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000769526419 656279578 /nfs/dbraw/zinc/27/95/78/656279578.db2.gz LFZKJFONHWAEQT-YOEHRIQHSA-N 0 3 382.346 2.613 20 10 GFCDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000799725079 659217276 /nfs/dbraw/zinc/21/72/76/659217276.db2.gz CVJURAWJSUSAMB-GFCCVEGCSA-N 0 3 388.325 2.970 20 10 GFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1[O-] ZINC000808708538 659903126 /nfs/dbraw/zinc/90/31/26/659903126.db2.gz MSUISUFZTGFLMC-AAEUAGOBSA-N 0 3 389.926 2.901 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000809710939 659936842 /nfs/dbraw/zinc/93/68/42/659936842.db2.gz DJVIVYYETOHPAD-CYBMUJFWSA-N 0 3 397.235 2.816 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1[O-] ZINC000848534913 661662446 /nfs/dbraw/zinc/66/24/46/661662446.db2.gz WDCBKGJORDMZPC-XVMOGABASA-N 0 3 383.286 2.823 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000848550228 661663508 /nfs/dbraw/zinc/66/35/08/661663508.db2.gz GQWZIBSTYWDGPE-DGCLKSJQSA-N 0 3 381.270 2.985 20 10 GFCDHN Cc1[nH]c(=S)sc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251607 663332043 /nfs/dbraw/zinc/33/20/43/663332043.db2.gz CEHCHYKELAIDJU-OAHLLOKOSA-N 0 3 378.567 2.768 20 10 GFCDHN CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1[O-] ZINC000903898213 663810612 /nfs/dbraw/zinc/81/06/12/663810612.db2.gz MLLHWTHHIMEVBV-OAHLLOKOSA-N 0 3 394.317 2.693 20 10 GFCDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737516399 600426570 /nfs/dbraw/zinc/42/65/70/600426570.db2.gz AKVFWFICCYQLDW-GOSISDBHSA-N 0 3 397.519 2.846 20 10 GFCDHN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737516399 600426571 /nfs/dbraw/zinc/42/65/71/600426571.db2.gz AKVFWFICCYQLDW-GOSISDBHSA-N 0 3 397.519 2.846 20 10 GFCDHN COc1cc(C)cc(C[NH+]2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1O ZINC000826178382 607846488 /nfs/dbraw/zinc/84/64/88/607846488.db2.gz VVXCVPAAVOOWEJ-UHFFFAOYSA-N 0 3 395.463 2.933 20 10 GFCDHN C[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824611625 608474434 /nfs/dbraw/zinc/47/44/34/608474434.db2.gz CYLPPNKRIFBTEO-CQSZACIVSA-N 0 3 382.443 2.693 20 10 GFCDHN C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824611625 608474435 /nfs/dbraw/zinc/47/44/35/608474435.db2.gz CYLPPNKRIFBTEO-CQSZACIVSA-N 0 3 382.443 2.693 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)c1O ZINC000179340897 655312994 /nfs/dbraw/zinc/31/29/94/655312994.db2.gz QGQMEEXCXGJJNT-CYBMUJFWSA-N 0 3 397.313 2.902 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000725846550 655527872 /nfs/dbraw/zinc/52/78/72/655527872.db2.gz MKGQRAYOKLWEQA-CQSZACIVSA-N 0 3 396.285 2.519 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1[O-] ZINC000779016998 656897331 /nfs/dbraw/zinc/89/73/31/656897331.db2.gz GLOZNQYGRWPQMV-NSHDSACASA-N 0 3 393.347 2.832 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000779019018 656897412 /nfs/dbraw/zinc/89/74/12/656897412.db2.gz TYNVBRPTRKQNJZ-YPMHNXCESA-N 0 3 391.331 2.538 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1[O-] ZINC000848516991 661660935 /nfs/dbraw/zinc/66/09/35/661660935.db2.gz CJNVLJUGXLBASL-JTQLQIEISA-N 0 3 383.242 2.837 20 10 GFCDHN COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848524784 661661393 /nfs/dbraw/zinc/66/13/93/661661393.db2.gz MGMJWKCPLJJNGE-JSGCOSHPSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1[O-] ZINC000848527385 661661441 /nfs/dbraw/zinc/66/14/41/661661441.db2.gz AMQRMPWEOLQLKK-QWHCGFSZSA-N 0 3 387.318 2.782 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1[O-] ZINC000848547365 661663338 /nfs/dbraw/zinc/66/33/38/661663338.db2.gz OEYYDWPSJXOYFM-LBPRGKRZSA-N 0 3 385.302 2.679 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000848550193 661663486 /nfs/dbraw/zinc/66/34/86/661663486.db2.gz FTLOOCVJEXGALC-NXEZZACHSA-N 0 3 392.315 2.780 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000848550391 661663646 /nfs/dbraw/zinc/66/36/46/661663646.db2.gz LIOGHBXLUQTFTN-GHMZBOCLSA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000848550227 661663822 /nfs/dbraw/zinc/66/38/22/661663822.db2.gz GQWZIBSTYWDGPE-AAEUAGOBSA-N 0 3 381.270 2.985 20 10 GFCDHN CCc1cccc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1O ZINC000848881077 661687689 /nfs/dbraw/zinc/68/76/89/661687689.db2.gz MDDBEOJPZNEOBF-UHFFFAOYSA-N 0 3 380.535 2.959 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1[O-] ZINC000858231394 662105361 /nfs/dbraw/zinc/10/53/61/662105361.db2.gz MFROOGJSGYAWKC-GFCCVEGCSA-N 0 3 379.245 2.982 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ncccc2Br)N(C)C)cc1 ZINC000891246339 663332012 /nfs/dbraw/zinc/33/20/12/663332012.db2.gz BCDVIOKZBLUQFA-INIZCTEOSA-N 0 3 391.313 2.943 20 10 GFCDHN COCCOC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CCOCC1 ZINC000294821502 563217688 /nfs/dbraw/zinc/21/76/88/563217688.db2.gz OYWZKDVOIZLYEX-UHFFFAOYSA-N 0 3 388.302 2.765 20 10 GFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000372121957 563296461 /nfs/dbraw/zinc/29/64/61/563296461.db2.gz ROSBSOWGEMSRBP-KRWDZBQOSA-N 0 3 385.302 2.519 20 10 GFCDHN C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000368328022 563868464 /nfs/dbraw/zinc/86/84/64/563868464.db2.gz NQFNVQSGNCKRJD-HIFRSBDPSA-N 0 3 382.346 2.974 20 10 GFCDHN C[C@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000824614121 608474569 /nfs/dbraw/zinc/47/45/69/608474569.db2.gz YUOBNRSHXIBHSW-AWEZNQCLSA-N 0 3 382.443 2.693 20 10 GFCDHN C[C@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000824614121 608474571 /nfs/dbraw/zinc/47/45/71/608474571.db2.gz YUOBNRSHXIBHSW-AWEZNQCLSA-N 0 3 382.443 2.693 20 10 GFCDHN COc1cc(Br)cc(C[N@H+](C)C(C)(C)CN2CCOCC2)c1[O-] ZINC000840978423 661223901 /nfs/dbraw/zinc/22/39/01/661223901.db2.gz RHMNCIHBLIHBLD-UHFFFAOYSA-N 0 3 387.318 2.706 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1[O-] ZINC000840978423 661223911 /nfs/dbraw/zinc/22/39/11/661223911.db2.gz RHMNCIHBLIHBLD-UHFFFAOYSA-N 0 3 387.318 2.706 20 10 GFCDHN COc1cc(Br)cc(CN(C)CCN2CCOC(C)(C)C2)c1O ZINC000789765766 657888913 /nfs/dbraw/zinc/88/89/13/657888913.db2.gz RLVIOAOOOMARJI-UHFFFAOYSA-N 0 3 387.318 2.706 20 10 GFCDHN Cc1cc(O)c(C[NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C ZINC000799345164 659183346 /nfs/dbraw/zinc/18/33/46/659183346.db2.gz TYFOPUOIMYQPOX-UHFFFAOYSA-N 0 3 386.876 2.870 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000848553272 661664141 /nfs/dbraw/zinc/66/41/41/661664141.db2.gz SEOPNDJGJJDRIG-JKOKRWQUSA-N 0 3 383.286 2.967 20 10 GFCDHN Cc1[nH]c(=S)sc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251604 663331998 /nfs/dbraw/zinc/33/19/98/663331998.db2.gz CEHCHYKELAIDJU-HNNXBMFYSA-N 0 3 378.567 2.768 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000903397236 663783781 /nfs/dbraw/zinc/78/37/81/663783781.db2.gz NJJIEVUSTRJIKY-YPMHNXCESA-N 0 3 393.285 2.888 20 10 GFCDHN Cc1cc(Br)cc(CN2CCC(C(=O)N3CCOCC3)CC2)c1O ZINC000179590921 552197152 /nfs/dbraw/zinc/19/71/52/552197152.db2.gz GLTIHDLAHAYVTL-UHFFFAOYSA-N 0 3 397.313 2.534 20 10 GFCDHN Cc1cc(Cl)cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1[O-] ZINC000182215419 552278194 /nfs/dbraw/zinc/27/81/94/552278194.db2.gz QLTBQJKTWZUGMF-UHFFFAOYSA-N 0 3 382.860 2.708 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000281917093 563390438 /nfs/dbraw/zinc/39/04/38/563390438.db2.gz AIDMGWSRLJZJMZ-CYBMUJFWSA-N 0 3 388.302 2.672 20 10 GFCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820122089 606855343 /nfs/dbraw/zinc/85/53/43/606855343.db2.gz ZORGTDVQWQHUBW-HXUWFJFHSA-N 0 3 380.496 2.877 20 10 GFCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820122089 606855344 /nfs/dbraw/zinc/85/53/44/606855344.db2.gz ZORGTDVQWQHUBW-HXUWFJFHSA-N 0 3 380.496 2.877 20 10 GFCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820122089 606855345 /nfs/dbraw/zinc/85/53/45/606855345.db2.gz ZORGTDVQWQHUBW-HXUWFJFHSA-N 0 3 380.496 2.877 20 10 GFCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820122089 606855346 /nfs/dbraw/zinc/85/53/46/606855346.db2.gz ZORGTDVQWQHUBW-HXUWFJFHSA-N 0 3 380.496 2.877 20 10 GFCDHN COc1cc(C)cc(C[NH+]2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1O ZINC000826178096 607846464 /nfs/dbraw/zinc/84/64/64/607846464.db2.gz JMBZIMMIKGCQRB-UHFFFAOYSA-N 0 3 395.463 2.933 20 10 GFCDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCSc2nccs2)cc1 ZINC000819063716 660245261 /nfs/dbraw/zinc/24/52/61/660245261.db2.gz QAIIPFPHTKQWRB-UHFFFAOYSA-N 0 3 387.508 2.597 20 10 GFCDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)n1-c1ccccc1Br ZINC000819825924 660270606 /nfs/dbraw/zinc/27/06/06/660270606.db2.gz ZOEZTUVWNWWMHT-AWEZNQCLSA-N 0 3 394.313 2.509 20 10 GFCDHN COc1cccc([O-])c1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000725847249 655527882 /nfs/dbraw/zinc/52/78/82/655527882.db2.gz GNCLQIDRRHPLPD-UHFFFAOYSA-N 0 3 379.254 2.683 20 10 GFCDHN CCN(CC)c1ccc(CNCCNS(=O)(=O)c2cccs2)cc1F ZINC000746743181 655767040 /nfs/dbraw/zinc/76/70/40/655767040.db2.gz XACMXTAIMSVGLM-UHFFFAOYSA-N 0 3 385.530 2.802 20 10 GFCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846033900 661526146 /nfs/dbraw/zinc/52/61/46/661526146.db2.gz XUFUQGOHDDTWCI-MRXNPFEDSA-N 0 3 379.551 2.508 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1[O-] ZINC000848530729 661661944 /nfs/dbraw/zinc/66/19/44/661661944.db2.gz JWCHQCSGDIKPBO-LBPRGKRZSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCN2CCCO)c1[O-] ZINC000848554064 661664292 /nfs/dbraw/zinc/66/42/92/661664292.db2.gz QQAUVWKHJXBXSC-GXTWGEPZSA-N 0 3 387.318 2.661 20 10 GFCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@H]1CCCO1 ZINC000878240977 662892246 /nfs/dbraw/zinc/89/22/46/662892246.db2.gz OPCKBVKRZJJNEJ-UKRRQHHQSA-N 0 3 397.269 2.857 20 10 GFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@H]1CCCO1 ZINC000878240977 662892247 /nfs/dbraw/zinc/89/22/47/662892247.db2.gz OPCKBVKRZJJNEJ-UKRRQHHQSA-N 0 3 397.269 2.857 20 10 GFCDHN COc1cccc([C@@H](C)N[C@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000903326484 663782126 /nfs/dbraw/zinc/78/21/26/663782126.db2.gz QSTSCWFBYYKXDO-RNCFNFMXSA-N 0 3 392.253 2.772 20 10 GFCDHN C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cc(F)ccc1[O-] ZINC000903326922 663782228 /nfs/dbraw/zinc/78/22/28/663782228.db2.gz WCRUGNGNNLLTIB-SDBXPKJASA-N 0 3 380.217 2.903 20 10 GFCDHN C[C@H](Cn1cc(Br)cn1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165184761 551629021 /nfs/dbraw/zinc/62/90/21/551629021.db2.gz CXQGWIWPXQRRMC-CYBMUJFWSA-N 0 3 397.292 2.800 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000367967874 563860880 /nfs/dbraw/zinc/86/08/80/563860880.db2.gz JUNBCVTWEHANFV-CXAGYDPISA-N 0 3 380.238 2.748 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000368749798 563878316 /nfs/dbraw/zinc/87/83/16/563878316.db2.gz JGGSTYIPUOHADT-BLLLJJGKSA-N 0 3 397.313 2.894 20 10 GFCDHN Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235280 598617594 /nfs/dbraw/zinc/61/75/94/598617594.db2.gz SABGXAKMSOKVRI-UHFFFAOYSA-N 0 3 395.511 2.592 20 10 GFCDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1ccccc1Br ZINC000818012955 660213705 /nfs/dbraw/zinc/21/37/05/660213705.db2.gz ZGHWQWSOLURMBF-AWEZNQCLSA-N 0 3 392.297 2.575 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093869985 655021390 /nfs/dbraw/zinc/02/13/90/655021390.db2.gz HBMOAXNHAJIUEL-LBPRGKRZSA-N 0 3 380.286 2.961 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093869985 655021392 /nfs/dbraw/zinc/02/13/92/655021392.db2.gz HBMOAXNHAJIUEL-LBPRGKRZSA-N 0 3 380.286 2.961 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000733800525 655621152 /nfs/dbraw/zinc/62/11/52/655621152.db2.gz XWDOROHNBFTIAV-HNNXBMFYSA-N 0 3 385.302 2.900 20 10 GFCDHN CCN1CCN(CCC[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756408476 655899508 /nfs/dbraw/zinc/89/95/08/655899508.db2.gz OFVXIHFIJQVQRG-ZDUSSCGKSA-N 0 3 388.325 2.972 20 10 GFCDHN C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000769526416 656279426 /nfs/dbraw/zinc/27/94/26/656279426.db2.gz LFZKJFONHWAEQT-PBHICJAKSA-N 0 3 382.346 2.613 20 10 GFCDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)nc1 ZINC000771389642 656348123 /nfs/dbraw/zinc/34/81/23/656348123.db2.gz LJNNSCMHJQRLBR-AWEZNQCLSA-N 0 3 379.913 2.821 20 10 GFCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779054387 656898309 /nfs/dbraw/zinc/89/83/09/656898309.db2.gz WTPLQQABASFVJS-VBNZEHGJSA-N 0 3 388.302 2.934 20 10 GFCDHN COc1cc(Br)cc(CN2CCC(Cn3cnnc3)CC2)c1O ZINC000846055126 661527672 /nfs/dbraw/zinc/52/76/72/661527672.db2.gz GLSNTEHFBDEXSB-UHFFFAOYSA-N 0 3 381.274 2.667 20 10 GFCDHN COCCn1cc(CN[C@H](C)c2cc(Br)cc(OC)c2O)cn1 ZINC000848548964 661663794 /nfs/dbraw/zinc/66/37/94/661663794.db2.gz MWAMEKMFCGRBOM-LLVKDONJSA-N 0 3 384.274 2.857 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1[O-] ZINC000883309018 663053403 /nfs/dbraw/zinc/05/34/03/663053403.db2.gz CNMHOOMXIMJQOI-JQWIXIFHSA-N 0 3 392.315 2.781 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccnc2Br)N(C)C)cc1 ZINC000891252783 663331923 /nfs/dbraw/zinc/33/19/23/663331923.db2.gz NRHBNYADWNZTAD-INIZCTEOSA-N 0 3 391.313 2.943 20 10 GFCDHN COc1cc(Br)cc(CN2CCC(Cn3ccnn3)CC2)c1O ZINC000180819239 552236542 /nfs/dbraw/zinc/23/65/42/552236542.db2.gz QNTAVIOJGGEHJK-UHFFFAOYSA-N 0 3 381.274 2.667 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000286898285 563579809 /nfs/dbraw/zinc/57/98/09/563579809.db2.gz DKVBPHPNTMQNEO-RYUDHWBXSA-N 0 3 376.316 2.939 20 10 GFCDHN COc1ccc(N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000821831655 607057536 /nfs/dbraw/zinc/05/75/36/607057536.db2.gz HMWQIQCLNZJURE-UHFFFAOYSA-N 0 3 382.443 2.773 20 10 GFCDHN CN(Cc1cccs1)c1ccc(CNCCN2CCCS2(=O)=O)cc1 ZINC000823825380 660381026 /nfs/dbraw/zinc/38/10/26/660381026.db2.gz LYASDFVRSRSMKY-UHFFFAOYSA-N 0 3 379.551 2.510 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H](CCNC(C)=O)C2)c1O ZINC000809778802 659938971 /nfs/dbraw/zinc/93/89/71/659938971.db2.gz WGWAFWAIUSOHJC-ZDUSSCGKSA-N 0 3 385.302 2.902 20 10 GFCDHN COc1cc(Br)cc(CN2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC000895721808 663525482 /nfs/dbraw/zinc/52/54/82/663525482.db2.gz JZQRBNMAEKETDR-CQSZACIVSA-N 0 3 386.286 2.527 20 10 GFCDHN COc1ccc(O)c([C@H](C)N[C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897979386 663629039 /nfs/dbraw/zinc/62/90/39/663629039.db2.gz ZZROTAXBDFTTAN-XPTSAGLGSA-N 0 3 392.253 2.772 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000187346460 552413235 /nfs/dbraw/zinc/41/32/35/552413235.db2.gz MPEPDARQMZYVNO-IAQYHMDHSA-N 0 3 393.285 2.653 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000286898278 563579525 /nfs/dbraw/zinc/57/95/25/563579525.db2.gz DKVBPHPNTMQNEO-NEPJUHHUSA-N 0 3 376.316 2.939 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)c1[O-] ZINC000364498653 563755175 /nfs/dbraw/zinc/75/51/75/563755175.db2.gz YIGRDNFITCMRRZ-RISCZKNCSA-N 0 3 393.285 2.653 20 10 GFCDHN CCC[N@H+](Cc1ccccc1O)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825323565 607923444 /nfs/dbraw/zinc/92/34/44/607923444.db2.gz YHUKRLHAMQQUEL-UHFFFAOYSA-N 0 3 381.436 2.771 20 10 GFCDHN CCC[N@@H+](Cc1ccccc1O)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825323565 607923445 /nfs/dbraw/zinc/92/34/45/607923445.db2.gz YHUKRLHAMQQUEL-UHFFFAOYSA-N 0 3 381.436 2.771 20 10 GFCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824677878 660399219 /nfs/dbraw/zinc/39/92/19/660399219.db2.gz KKPLMRBRJVOXEL-MRXNPFEDSA-N 0 3 381.567 2.802 20 10 GFCDHN CN1CCN(c2ncccc2C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825173618 660413106 /nfs/dbraw/zinc/41/31/06/660413106.db2.gz OTNXDICRACCLMZ-UHFFFAOYSA-N 0 3 391.313 2.591 20 10 GFCDHN CC[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000181638087 655339480 /nfs/dbraw/zinc/33/94/80/655339480.db2.gz MGWCGZMMZJPGTK-IAGOWNOFSA-N 0 3 382.551 2.690 20 10 GFCDHN CN1CCO[C@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]21 ZINC000760430096 655980487 /nfs/dbraw/zinc/98/04/87/655980487.db2.gz YSLRWYICSRQANO-AEFFLSMTSA-N 0 3 377.282 2.823 20 10 GFCDHN CN1CCO[C@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]21 ZINC000760430096 655980491 /nfs/dbraw/zinc/98/04/91/655980491.db2.gz YSLRWYICSRQANO-AEFFLSMTSA-N 0 3 377.282 2.823 20 10 GFCDHN Cc1nc(C)c([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000765979432 656157181 /nfs/dbraw/zinc/15/71/81/656157181.db2.gz TYQWSTAWBHRQCZ-ZDUSSCGKSA-N 0 3 379.551 2.846 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)c1[O-] ZINC000779030330 656897751 /nfs/dbraw/zinc/89/77/51/656897751.db2.gz ROAOAXZYNRYNHH-GFCCVEGCSA-N 0 3 391.331 2.539 20 10 GFCDHN COCCN1CCN(Cc2cc(Br)cc(OC)c2O)C(C)(C)C1 ZINC000846103458 661532841 /nfs/dbraw/zinc/53/28/41/661532841.db2.gz YBARJNWDWAOBPY-UHFFFAOYSA-N 0 3 387.318 2.706 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000848546192 661663084 /nfs/dbraw/zinc/66/30/84/661663084.db2.gz USOLVPIYVHWDCS-XHDPSFHLSA-N 0 3 388.302 2.992 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1[O-] ZINC000848554611 661664237 /nfs/dbraw/zinc/66/42/37/661664237.db2.gz XWWSGSYMWLASFD-BNOWGMLFSA-N 0 3 385.302 2.677 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)CSCc2cscn2)N(C)C)cc1 ZINC000891254632 663331979 /nfs/dbraw/zinc/33/19/79/663331979.db2.gz ZPPDKJPEMIYSRE-KRWDZBQOSA-N 0 3 378.567 2.861 20 10 GFCDHN Cc1n[nH]c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1Br ZINC000891256014 663332090 /nfs/dbraw/zinc/33/20/90/663332090.db2.gz VMZUDOYULCVZTI-AWEZNQCLSA-N 0 3 394.317 2.579 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccncc2Br)N(C)C)cc1 ZINC000891254248 663332122 /nfs/dbraw/zinc/33/21/22/663332122.db2.gz XWKFAOSPIIITJJ-KRWDZBQOSA-N 0 3 391.313 2.943 20 10 GFCDHN CS[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1N1CCCC1 ZINC000897377420 663603516 /nfs/dbraw/zinc/60/35/16/663603516.db2.gz NVPGRPYMSYXCQO-SJCJKPOMSA-N 0 3 378.519 2.964 20 10 GFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897979384 663628869 /nfs/dbraw/zinc/62/88/69/663628869.db2.gz ZZROTAXBDFTTAN-LKFCYVNXSA-N 0 3 392.253 2.772 20 10 GFCDHN C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cc(F)ccc1[O-] ZINC000903326919 663782271 /nfs/dbraw/zinc/78/22/71/663782271.db2.gz WCRUGNGNNLLTIB-AMIZOPFISA-N 0 3 380.217 2.903 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1[O-] ZINC000922950953 664619844 /nfs/dbraw/zinc/61/98/44/664619844.db2.gz RWBMYCVYDRHBCG-HNNXBMFYSA-N 0 3 385.302 2.506 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1[O-] ZINC000187159079 552408293 /nfs/dbraw/zinc/40/82/93/552408293.db2.gz FCXFIGCLHXWYGK-DZGCQCFKSA-N 0 3 384.362 2.997 20 10 GFCDHN COc1cc(Br)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000371470984 563278485 /nfs/dbraw/zinc/27/84/85/563278485.db2.gz PZLJYXUNLFNKPF-OWCLPIDISA-N 0 3 399.329 2.847 20 10 GFCDHN O=S(=O)(c1ccc(CC[NH2+]Cc2ccccc2[O-])s1)N1CCCCC1 ZINC000174601572 655204924 /nfs/dbraw/zinc/20/49/24/655204924.db2.gz MFFUUWRBUBHKEN-UHFFFAOYSA-N 0 3 380.535 2.961 20 10 GFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@@]12CCCO2 ZINC000759175924 655950003 /nfs/dbraw/zinc/95/00/03/655950003.db2.gz GPZIOECTDFNAJS-INMHGKMJSA-N 0 3 386.286 2.980 20 10 GFCDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000806174018 659826837 /nfs/dbraw/zinc/82/68/37/659826837.db2.gz QMRYXAJNKVSTPK-CABCVRRESA-N 0 3 386.945 2.652 20 10 GFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000806663327 659839326 /nfs/dbraw/zinc/83/93/26/659839326.db2.gz OYSUAEMVCWOMFH-GWCFXTLKSA-N 0 3 375.332 2.981 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1[O-] ZINC000848525493 661661398 /nfs/dbraw/zinc/66/13/98/661661398.db2.gz RHYJZSBUHHGXNT-JOYOIKCWSA-N 0 3 381.274 2.729 20 10 GFCDHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCc1ccccc1O ZINC000295200952 563234686 /nfs/dbraw/zinc/23/46/86/563234686.db2.gz PBGKBNRBHIXPTF-LBPRGKRZSA-N 0 3 393.281 2.958 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000281917097 563390393 /nfs/dbraw/zinc/39/03/93/563390393.db2.gz AIDMGWSRLJZJMZ-ZDUSSCGKSA-N 0 3 388.302 2.672 20 10 GFCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1C ZINC000367204634 563836230 /nfs/dbraw/zinc/83/62/30/563836230.db2.gz DLPFTXDZDFLEGE-OAHLLOKOSA-N 0 3 380.535 2.871 20 10 GFCDHN CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc(F)ccc2[O-])s1 ZINC000180650037 655329083 /nfs/dbraw/zinc/32/90/83/655329083.db2.gz CHVONWSZCVCIPM-UHFFFAOYSA-N 0 3 386.514 2.956 20 10 GFCDHN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183046012 655348831 /nfs/dbraw/zinc/34/88/31/655348831.db2.gz ZORPAFOMANHFRL-KBPBESRZSA-N 0 3 376.469 2.670 20 10 GFCDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773037201 656397497 /nfs/dbraw/zinc/39/74/97/656397497.db2.gz GLWCCYPLMFQYFY-AWEZNQCLSA-N 0 3 386.945 2.652 20 10 GFCDHN COC(=O)N1CCC(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000796501155 658920804 /nfs/dbraw/zinc/92/08/04/658920804.db2.gz XUGHEXALVANEOJ-UHFFFAOYSA-N 0 3 387.274 2.731 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000796515405 658921181 /nfs/dbraw/zinc/92/11/81/658921181.db2.gz UHMDAVLCJAYBJW-UHFFFAOYSA-N 0 3 392.315 2.610 20 10 GFCDHN CN(CCn1cc(Br)cn1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809793304 659939535 /nfs/dbraw/zinc/93/95/35/659939535.db2.gz VYLGHKSOVALXEN-UHFFFAOYSA-N 0 3 397.292 2.753 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1[O-] ZINC000848536755 661662583 /nfs/dbraw/zinc/66/25/83/661662583.db2.gz UVUXEOFVAODECI-SNVBAGLBSA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000848553274 661664261 /nfs/dbraw/zinc/66/42/61/661664261.db2.gz SEOPNDJGJJDRIG-VHRBIJSZSA-N 0 3 383.286 2.967 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1[O-] ZINC000866411992 662471193 /nfs/dbraw/zinc/47/11/93/662471193.db2.gz AMBJRGCZYCIDDQ-YPMHNXCESA-N 0 3 387.318 2.659 20 10 GFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279082097 563283116 /nfs/dbraw/zinc/28/31/16/563283116.db2.gz VGHGKMNDRTWVIZ-LLVKDONJSA-N 0 3 393.285 2.617 20 10 GFCDHN COc1ccc(N2CCC([NH2+]Cc3ccc(OC)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821831700 599426582 /nfs/dbraw/zinc/42/65/82/599426582.db2.gz JWJZBRLBGFAEKB-UHFFFAOYSA-N 0 3 394.479 2.643 20 10 GFCDHN COc1ccc(N2CCC([NH2+]Cc3ccc(OC)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000821831700 599426585 /nfs/dbraw/zinc/42/65/85/599426585.db2.gz JWJZBRLBGFAEKB-UHFFFAOYSA-N 0 3 394.479 2.643 20 10 GFCDHN COc1ccc(N2CC[C@H](CNCc3c(Br)cnn3C)C2)cc1 ZINC000818219774 660219778 /nfs/dbraw/zinc/21/97/78/660219778.db2.gz DFPVWPFGCOZUNC-CYBMUJFWSA-N 0 3 379.302 2.807 20 10 GFCDHN CC(C)OCCN1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000154246382 655074219 /nfs/dbraw/zinc/07/42/19/655074219.db2.gz OGNYISHAFQJNRL-UHFFFAOYSA-N 0 3 386.587 2.814 20 10 GFCDHN O=C(NC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000327195783 655385778 /nfs/dbraw/zinc/38/57/78/655385778.db2.gz GXGRIUYEADSQHZ-LRDDRELGSA-N 0 3 386.323 2.779 20 10 GFCDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756459462 655900271 /nfs/dbraw/zinc/90/02/71/655900271.db2.gz ONXDBHBPTZKZMY-CMPLNLGQSA-N 0 3 377.710 2.915 20 10 GFCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c2c1c(F)ccc2[O-] ZINC000756767283 655904803 /nfs/dbraw/zinc/90/48/03/655904803.db2.gz FLNSZGDECSKSRQ-NTZNESFSSA-N 0 3 385.482 2.566 20 10 GFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1[O-] ZINC000809783074 659939324 /nfs/dbraw/zinc/93/93/24/659939324.db2.gz QPGWLJGCSINHSO-INIZCTEOSA-N 0 3 380.897 2.907 20 10 GFCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846033896 661526082 /nfs/dbraw/zinc/52/60/82/661526082.db2.gz XUFUQGOHDDTWCI-INIZCTEOSA-N 0 3 379.551 2.508 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1[O-] ZINC000848525487 661661264 /nfs/dbraw/zinc/66/12/64/661661264.db2.gz RHYJZSBUHHGXNT-BXKDBHETSA-N 0 3 381.274 2.729 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)c1[O-] ZINC000848528959 661662181 /nfs/dbraw/zinc/66/21/81/661662181.db2.gz QMAQHCPTIQAXOA-AGIUHOORSA-N 0 3 387.318 2.923 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1[O-] ZINC000850354089 661771678 /nfs/dbraw/zinc/77/16/78/661771678.db2.gz VIRAOAKCEYWKJA-NILFDRSVSA-N 0 3 388.302 2.819 20 10 GFCDHN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862241786 662276731 /nfs/dbraw/zinc/27/67/31/662276731.db2.gz ZIANDICMGADSQN-HNNXBMFYSA-N 0 3 382.346 2.757 20 10 GFCDHN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862241786 662276732 /nfs/dbraw/zinc/27/67/32/662276732.db2.gz ZIANDICMGADSQN-HNNXBMFYSA-N 0 3 382.346 2.757 20 10 GFCDHN COc1ccc(CN[C@@H](CO)c2cccc(Br)c2)c(O)c1OC ZINC000893108431 663396800 /nfs/dbraw/zinc/39/68/00/663396800.db2.gz OXZXGOHZWKQTPN-AWEZNQCLSA-N 0 3 382.254 2.995 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1[O-] ZINC000187159093 552408146 /nfs/dbraw/zinc/40/81/46/552408146.db2.gz FCXFIGCLHXWYGK-ZFWWWQNUSA-N 0 3 384.362 2.997 20 10 GFCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])CC2 ZINC000187367497 552413967 /nfs/dbraw/zinc/41/39/67/552413967.db2.gz ORPCWXATMIICIR-WCQYABFASA-N 0 3 395.301 2.867 20 10 GFCDHN COc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000371470983 563278357 /nfs/dbraw/zinc/27/83/57/563278357.db2.gz PZLJYXUNLFNKPF-HRCADAONSA-N 0 3 399.329 2.847 20 10 GFCDHN C[C@@H](NCCn1cc(Br)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000285819931 563538177 /nfs/dbraw/zinc/53/81/77/563538177.db2.gz XBTLASKNSCYSKJ-CYBMUJFWSA-N 0 3 397.292 2.972 20 10 GFCDHN C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(Br)cc1[O-] ZINC000368330702 563868919 /nfs/dbraw/zinc/86/89/19/563868919.db2.gz XRVTYYSJTYIBDJ-ZFWWWQNUSA-N 0 3 382.346 2.974 20 10 GFCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820122088 606855316 /nfs/dbraw/zinc/85/53/16/606855316.db2.gz ZORGTDVQWQHUBW-FQEVSTJZSA-N 0 3 380.496 2.877 20 10 GFCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820122088 606855317 /nfs/dbraw/zinc/85/53/17/606855317.db2.gz ZORGTDVQWQHUBW-FQEVSTJZSA-N 0 3 380.496 2.877 20 10 GFCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820122088 606855318 /nfs/dbraw/zinc/85/53/18/606855318.db2.gz ZORGTDVQWQHUBW-FQEVSTJZSA-N 0 3 380.496 2.877 20 10 GFCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820122088 606855319 /nfs/dbraw/zinc/85/53/19/606855319.db2.gz ZORGTDVQWQHUBW-FQEVSTJZSA-N 0 3 380.496 2.877 20 10 GFCDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(N(C)C)cc1 ZINC000820414358 607046129 /nfs/dbraw/zinc/04/61/29/607046129.db2.gz XZPIXNWZMVEDBN-OAHLLOKOSA-N 0 3 392.511 2.647 20 10 GFCDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(N(C)C)cc1 ZINC000820414358 607046131 /nfs/dbraw/zinc/04/61/31/607046131.db2.gz XZPIXNWZMVEDBN-OAHLLOKOSA-N 0 3 392.511 2.647 20 10 GFCDHN COc1ccc(N2CCC([NH2+]CCOc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826209329 608281688 /nfs/dbraw/zinc/28/16/88/608281688.db2.gz XFDITHHYOMOOQU-UHFFFAOYSA-N 0 3 394.479 2.513 20 10 GFCDHN COc1ccc(N2CCC([NH2+]CCOc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826209329 608281690 /nfs/dbraw/zinc/28/16/90/608281690.db2.gz XFDITHHYOMOOQU-UHFFFAOYSA-N 0 3 394.479 2.513 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653757 660398705 /nfs/dbraw/zinc/39/87/05/660398705.db2.gz HEILJAHALIBFMZ-NILFDRSVSA-N 0 3 386.286 2.525 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653757 660398706 /nfs/dbraw/zinc/39/87/06/660398706.db2.gz HEILJAHALIBFMZ-NILFDRSVSA-N 0 3 386.286 2.525 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000725847503 655527940 /nfs/dbraw/zinc/52/79/40/655527940.db2.gz OKSOBINUPCICNG-AWEZNQCLSA-N 0 3 378.270 2.909 20 10 GFCDHN CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756410555 655899499 /nfs/dbraw/zinc/89/94/99/655899499.db2.gz HJQTXMKCLWWPHE-QWHCGFSZSA-N 0 3 388.325 2.970 20 10 GFCDHN C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000756561079 655901919 /nfs/dbraw/zinc/90/19/19/655901919.db2.gz ALGDUXSMFYQMCI-ZDUSSCGKSA-N 0 3 398.345 2.748 20 10 GFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1[O-] ZINC000808716049 659903628 /nfs/dbraw/zinc/90/36/28/659903628.db2.gz IKVNUQRDKBZFLN-ZDUSSCGKSA-N 0 3 383.897 2.971 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H](CCNC(C)=O)C2)c1O ZINC000809778801 659938938 /nfs/dbraw/zinc/93/89/38/659938938.db2.gz WGWAFWAIUSOHJC-CYBMUJFWSA-N 0 3 385.302 2.902 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c1[O-] ZINC000848554645 661664209 /nfs/dbraw/zinc/66/42/09/661664209.db2.gz YQMPOCMIPZVEFO-JSGCOSHPSA-N 0 3 387.318 2.661 20 10 GFCDHN O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000873049842 662797697 /nfs/dbraw/zinc/79/76/97/662797697.db2.gz MYIVUPWHLCMIRT-DLBZAZTESA-N 0 3 386.945 2.567 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1[O-] ZINC000898285153 663642134 /nfs/dbraw/zinc/64/21/34/663642134.db2.gz UHVRNZMKVWISAE-UHFFFAOYSA-N 0 3 384.885 2.740 20 10 GFCDHN COc1cc(Cl)cc(CNCc2cccc(N(C)S(C)(=O)=O)c2)c1O ZINC000898285153 663642136 /nfs/dbraw/zinc/64/21/36/663642136.db2.gz UHVRNZMKVWISAE-UHFFFAOYSA-N 0 3 384.885 2.740 20 10 GFCDHN CCN(C)c1ccc([C@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181641024 552263686 /nfs/dbraw/zinc/26/36/86/552263686.db2.gz GOUSETBCKSTCCD-YOEHRIQHSA-N 0 3 382.551 2.690 20 10 GFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1C ZINC000367204633 563836349 /nfs/dbraw/zinc/83/63/49/563836349.db2.gz DLPFTXDZDFLEGE-HNNXBMFYSA-N 0 3 380.535 2.871 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000826833410 660468016 /nfs/dbraw/zinc/46/80/16/660468016.db2.gz CRFUUPPIIRGQOB-UHFFFAOYSA-N 0 3 376.316 2.768 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1[O-] ZINC000734847634 655635326 /nfs/dbraw/zinc/63/53/26/655635326.db2.gz RRGPXVZDOMDOKC-UHFFFAOYSA-N 0 3 378.266 2.783 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000766488098 656173165 /nfs/dbraw/zinc/17/31/65/656173165.db2.gz IZXXAOLCVRSVNV-OAHLLOKOSA-N 0 3 384.245 2.996 20 10 GFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000806663328 659839435 /nfs/dbraw/zinc/83/94/35/659839435.db2.gz OYSUAEMVCWOMFH-MFKMUULPSA-N 0 3 375.332 2.981 20 10 GFCDHN COc1cc(Br)cc([C@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602671 662115894 /nfs/dbraw/zinc/11/58/94/662115894.db2.gz GFVBFNLHKJUILJ-HZMBPMFUSA-N 0 3 383.286 2.967 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602671 662115896 /nfs/dbraw/zinc/11/58/96/662115896.db2.gz GFVBFNLHKJUILJ-HZMBPMFUSA-N 0 3 383.286 2.967 20 10 GFCDHN O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000873049845 662797711 /nfs/dbraw/zinc/79/77/11/662797711.db2.gz MYIVUPWHLCMIRT-IRXDYDNUSA-N 0 3 386.945 2.567 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1[O-] ZINC000883366458 663053899 /nfs/dbraw/zinc/05/38/99/663053899.db2.gz UDIRLZREARTDFN-SECBINFHSA-N 0 3 394.134 2.811 20 10 GFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897979387 663628979 /nfs/dbraw/zinc/62/89/79/663628979.db2.gz ZZROTAXBDFTTAN-YMTOWFKASA-N 0 3 392.253 2.772 20 10 GFCDHN CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000922400958 664599527 /nfs/dbraw/zinc/59/95/27/664599527.db2.gz CFZBKZFZYMRTLB-CZUORRHYSA-N 0 3 396.285 3.000 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1[O-] ZINC000922950954 664619823 /nfs/dbraw/zinc/61/98/23/664619823.db2.gz RWBMYCVYDRHBCG-OAHLLOKOSA-N 0 3 385.302 2.506 20 10 GFCDHN CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1[O-] ZINC000155794680 551507450 /nfs/dbraw/zinc/50/74/50/551507450.db2.gz QWVNVOAEOGGYDG-CQSZACIVSA-N 0 3 380.432 2.995 20 10 GFCDHN C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000368328024 563868498 /nfs/dbraw/zinc/86/84/98/563868498.db2.gz NQFNVQSGNCKRJD-ZFWWWQNUSA-N 0 3 382.346 2.974 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000779019011 656897482 /nfs/dbraw/zinc/89/74/82/656897482.db2.gz TYNVBRPTRKQNJZ-AAEUAGOBSA-N 0 3 391.331 2.538 20 10 GFCDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCCSc1nccs1 ZINC000787282619 657538049 /nfs/dbraw/zinc/53/80/49/657538049.db2.gz LHACABURCKUMCS-AWEZNQCLSA-N 0 3 384.571 2.520 20 10 GFCDHN COc1cc(Br)cc(CNCc2ccc(NC(C)=O)nc2)c1O ZINC000788523676 657737800 /nfs/dbraw/zinc/73/78/00/657737800.db2.gz GRUBLHLEZBPLID-UHFFFAOYSA-N 0 3 380.242 2.807 20 10 GFCDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cc(Br)cc(OC)c1O ZINC000848533397 661662175 /nfs/dbraw/zinc/66/21/75/661662175.db2.gz HMEAWMLRQUEXTH-VHSXEESVSA-N 0 3 380.304 2.637 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1[O-] ZINC000848549109 661663870 /nfs/dbraw/zinc/66/38/70/661663870.db2.gz KMIQAUJNJQEVOL-JTQLQIEISA-N 0 3 392.315 2.781 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848573481 661665670 /nfs/dbraw/zinc/66/56/70/661665670.db2.gz HFOQOMHQTUXTBW-JOYOIKCWSA-N 0 3 385.258 2.797 20 10 GFCDHN O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000873049844 662797620 /nfs/dbraw/zinc/79/76/20/662797620.db2.gz MYIVUPWHLCMIRT-IAGOWNOFSA-N 0 3 386.945 2.567 20 10 GFCDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2cc(Br)no2)cc1 ZINC000878804742 662906041 /nfs/dbraw/zinc/90/60/41/662906041.db2.gz BXZIGJBAFVORDG-AWEZNQCLSA-N 0 3 384.274 2.547 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000187359736 552413411 /nfs/dbraw/zinc/41/34/11/552413411.db2.gz OIKUQBYZSYNJFL-LLVKDONJSA-N 0 3 376.316 2.939 20 10 GFCDHN COc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000371470981 563278411 /nfs/dbraw/zinc/27/84/11/563278411.db2.gz PZLJYXUNLFNKPF-ARFHVFGLSA-N 0 3 399.329 2.847 20 10 GFCDHN C[C@](CO)(NCc1cc2c(cc1O)OCO2)c1ccc(Br)cc1 ZINC000285519321 563525175 /nfs/dbraw/zinc/52/51/75/563525175.db2.gz OEPOPXXDNAKZCG-QGZVFWFLSA-N 0 3 380.238 2.881 20 10 GFCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000821804933 599417315 /nfs/dbraw/zinc/41/73/15/599417315.db2.gz RCJOMXQNUJXFKS-OAHLLOKOSA-N 0 3 394.479 2.563 20 10 GFCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000821804933 599417318 /nfs/dbraw/zinc/41/73/18/599417318.db2.gz RCJOMXQNUJXFKS-OAHLLOKOSA-N 0 3 394.479 2.563 20 10 GFCDHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826183950 608475489 /nfs/dbraw/zinc/47/54/89/608475489.db2.gz GFEMYUBGCUBSQA-OAHLLOKOSA-N 0 3 394.479 2.563 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1[O-] ZINC000827047584 660476870 /nfs/dbraw/zinc/47/68/70/660476870.db2.gz GTVYAKKFJSNLHR-UHFFFAOYSA-N 0 3 390.221 2.530 20 10 GFCDHN Cc1cc(Br)cc(CNCCS(=O)(=O)CC(F)(F)F)c1O ZINC000827047584 660476873 /nfs/dbraw/zinc/47/68/73/660476873.db2.gz GTVYAKKFJSNLHR-UHFFFAOYSA-N 0 3 390.221 2.530 20 10 GFCDHN COc1cc(Br)cc(CN[C@@H](C)C(=O)Nc2cccnc2C)c1O ZINC000835071453 660840166 /nfs/dbraw/zinc/84/01/66/660840166.db2.gz PVRILXWQWLUTQO-NSHDSACASA-N 0 3 394.269 2.984 20 10 GFCDHN Cc1ccc(S(=O)(=O)NCCNC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835041851 660839290 /nfs/dbraw/zinc/83/92/90/660839290.db2.gz OKJISDMDZOYKJX-SNAWJCMRSA-N 0 3 379.551 2.704 20 10 GFCDHN O=S(=O)(NCCNCc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000122284714 654732298 /nfs/dbraw/zinc/73/22/98/654732298.db2.gz WRNOJOCQMPBVQJ-UHFFFAOYSA-N 0 3 379.551 2.807 20 10 GFCDHN COCCN1[C@H](C)CN(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C ZINC000093478763 655019844 /nfs/dbraw/zinc/01/98/44/655019844.db2.gz IQDPYTRZCUTCRM-BETUJISGSA-N 0 3 387.318 2.704 20 10 GFCDHN COc1cc(O)c(CN[C@H](CO)c2ccc(Br)cc2)cc1OC ZINC000271869366 655097249 /nfs/dbraw/zinc/09/72/49/655097249.db2.gz XDODDCBMCFKLQB-CQSZACIVSA-N 0 3 382.254 2.995 20 10 GFCDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775664148 656662288 /nfs/dbraw/zinc/66/22/88/656662288.db2.gz UAOPRAFQZYQZEQ-KGLIPLIRSA-N 0 3 399.329 2.826 20 10 GFCDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775664148 656662293 /nfs/dbraw/zinc/66/22/93/656662293.db2.gz UAOPRAFQZYQZEQ-KGLIPLIRSA-N 0 3 399.329 2.826 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)c1[O-] ZINC000848534472 661662482 /nfs/dbraw/zinc/66/24/82/661662482.db2.gz ZYOXQNKPEVNJIO-ZJUUUORDSA-N 0 3 380.304 2.637 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1[O-] ZINC000848555265 661663998 /nfs/dbraw/zinc/66/39/98/661663998.db2.gz NMPRKXVLKZVLJF-APPDUMDISA-N 0 3 388.302 2.992 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)N[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602674 662115950 /nfs/dbraw/zinc/11/59/50/662115950.db2.gz GFVBFNLHKJUILJ-YGRLFVJLSA-N 0 3 383.286 2.967 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602674 662115951 /nfs/dbraw/zinc/11/59/51/662115951.db2.gz GFVBFNLHKJUILJ-YGRLFVJLSA-N 0 3 383.286 2.967 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000877675952 662881521 /nfs/dbraw/zinc/88/15/21/662881521.db2.gz XLNKGWXMSXSZTC-NSHDSACASA-N 0 3 379.180 2.948 20 10 GFCDHN Cc1cc(Br)cc(CNC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000877675952 662881522 /nfs/dbraw/zinc/88/15/22/662881522.db2.gz XLNKGWXMSXSZTC-NSHDSACASA-N 0 3 379.180 2.948 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2c(Cl)nn(C)c2Cl)N(C)C)cc1 ZINC000891245903 663331838 /nfs/dbraw/zinc/33/18/38/663331838.db2.gz KDARVMCIVDQGHD-CYBMUJFWSA-N 0 3 384.311 2.826 20 10 GFCDHN Cc1cc(O)c(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1C ZINC000897977718 663628035 /nfs/dbraw/zinc/62/80/35/663628035.db2.gz IXFYJJIRRXKFJI-CQSZACIVSA-N 0 3 376.254 2.820 20 10 GFCDHN CCOc1ccc(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)c(O)c1 ZINC000897977720 663628049 /nfs/dbraw/zinc/62/80/49/663628049.db2.gz IYFJCRCUKYNVCM-CQSZACIVSA-N 0 3 392.253 2.601 20 10 GFCDHN CN(C)c1ccc([C@@H](CNCc2ccc(S(C)(=O)=O)s2)N(C)C)cc1 ZINC000898448799 663650015 /nfs/dbraw/zinc/65/00/15/663650015.db2.gz XIDUYPJOOULLOA-QGZVFWFLSA-N 0 3 381.567 2.610 20 10 GFCDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763750 608121899 /nfs/dbraw/zinc/12/18/99/608121899.db2.gz OWQDKLHSPRYENE-INIZCTEOSA-N 0 3 378.480 2.896 20 10 GFCDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763750 608121900 /nfs/dbraw/zinc/12/19/00/608121900.db2.gz OWQDKLHSPRYENE-INIZCTEOSA-N 0 3 378.480 2.896 20 10 GFCDHN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763750 608121901 /nfs/dbraw/zinc/12/19/01/608121901.db2.gz OWQDKLHSPRYENE-INIZCTEOSA-N 0 3 378.480 2.896 20 10 GFCDHN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763750 608121902 /nfs/dbraw/zinc/12/19/02/608121902.db2.gz OWQDKLHSPRYENE-INIZCTEOSA-N 0 3 378.480 2.896 20 10 GFCDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(Br)c1[O-] ZINC000817977615 660212757 /nfs/dbraw/zinc/21/27/57/660212757.db2.gz LQVPUUOYDWNTHY-XUJCCDQDSA-N 0 3 376.092 2.786 20 10 GFCDHN O=S(=O)(N1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1)C(F)(F)F ZINC000834578399 660825406 /nfs/dbraw/zinc/82/54/06/660825406.db2.gz OHRKRNNXOASMPO-CYBMUJFWSA-N 0 3 378.416 2.531 20 10 GFCDHN CCN(CC)C(=O)CN1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000129213132 654860587 /nfs/dbraw/zinc/86/05/87/654860587.db2.gz XITDGGPRRCVKLV-UHFFFAOYSA-N 0 3 398.345 2.531 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000769403984 656274273 /nfs/dbraw/zinc/27/42/73/656274273.db2.gz GRRSPPKLYWARCQ-CYBMUJFWSA-N 0 3 397.313 2.998 20 10 GFCDHN Cc1cc(Cl)cc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c1[O-] ZINC000798086378 659073532 /nfs/dbraw/zinc/07/35/32/659073532.db2.gz LCBPLUYWXYVSEU-UHFFFAOYSA-N 0 3 386.876 2.903 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1[O-] ZINC000808444236 659894416 /nfs/dbraw/zinc/89/44/16/659894416.db2.gz LROLUJQINNUQTJ-VBNZEHGJSA-N 0 3 397.313 2.900 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1[O-] ZINC000848525495 661661506 /nfs/dbraw/zinc/66/15/06/661661506.db2.gz RHYJZSBUHHGXNT-SKDRFNHKSA-N 0 3 381.274 2.729 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c1[O-] ZINC000848554646 661664031 /nfs/dbraw/zinc/66/40/31/661664031.db2.gz YQMPOCMIPZVEFO-OCCSQVGLSA-N 0 3 387.318 2.661 20 10 GFCDHN CN(Cc1c([O-])cccc1Br)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000862367541 662283202 /nfs/dbraw/zinc/28/32/02/662283202.db2.gz MLYDKBCVTKFLDR-HNNXBMFYSA-N 0 3 382.346 2.755 20 10 GFCDHN CN(Cc1c([O-])cccc1Br)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000862367541 662283208 /nfs/dbraw/zinc/28/32/08/662283208.db2.gz MLYDKBCVTKFLDR-HNNXBMFYSA-N 0 3 382.346 2.755 20 10 GFCDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000882985347 663045954 /nfs/dbraw/zinc/04/59/54/663045954.db2.gz TVEFIENQMVTECP-CHWSQXEVSA-N 0 3 375.694 2.761 20 10 GFCDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000882985347 663045956 /nfs/dbraw/zinc/04/59/56/663045956.db2.gz TVEFIENQMVTECP-CHWSQXEVSA-N 0 3 375.694 2.761 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1[O-] ZINC000883366459 663053933 /nfs/dbraw/zinc/05/39/33/663053933.db2.gz UDIRLZREARTDFN-VIFPVBQESA-N 0 3 394.134 2.811 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000187346499 552413364 /nfs/dbraw/zinc/41/33/64/552413364.db2.gz MPEPDARQMZYVNO-ABAIWWIYSA-N 0 3 393.285 2.653 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000367967875 563860561 /nfs/dbraw/zinc/86/05/61/563860561.db2.gz JUNBCVTWEHANFV-DYVFJYSZSA-N 0 3 380.238 2.748 20 10 GFCDHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826183949 608475471 /nfs/dbraw/zinc/47/54/71/608475471.db2.gz GFEMYUBGCUBSQA-HNNXBMFYSA-N 0 3 394.479 2.563 20 10 GFCDHN Cc1ccc(O)c(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826291373 608570907 /nfs/dbraw/zinc/57/09/07/608570907.db2.gz CEIRGGGCRVSSML-UHFFFAOYSA-N 0 3 380.452 2.756 20 10 GFCDHN Cc1ccc(O)c(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826291373 608570908 /nfs/dbraw/zinc/57/09/08/608570908.db2.gz CEIRGGGCRVSSML-UHFFFAOYSA-N 0 3 380.452 2.756 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000769403986 656274670 /nfs/dbraw/zinc/27/46/70/656274670.db2.gz GRRSPPKLYWARCQ-ZDUSSCGKSA-N 0 3 397.313 2.998 20 10 GFCDHN COCCN1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848526948 661661473 /nfs/dbraw/zinc/66/14/73/661661473.db2.gz MQOHDNQHBUATAJ-GFCCVEGCSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2cc(Br)no2)cc1 ZINC000878804743 662906180 /nfs/dbraw/zinc/90/61/80/662906180.db2.gz BXZIGJBAFVORDG-CQSZACIVSA-N 0 3 384.274 2.547 20 10 GFCDHN COc1cc(Br)cc(CN2CCC([C@]3(C)COC(=O)N3)CC2)c1O ZINC000896458269 663558558 /nfs/dbraw/zinc/55/85/58/663558558.db2.gz HUCWOPZYMYCKAH-KRWDZBQOSA-N 0 3 399.285 2.874 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)NCc2cnc3n2CCOC3)c1O ZINC000903420699 663784430 /nfs/dbraw/zinc/78/44/30/663784430.db2.gz QBPVLIUMYIGBJX-SNVBAGLBSA-N 0 3 382.258 2.741 20 10 GFCDHN COc1cc(Br)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000371470982 563278443 /nfs/dbraw/zinc/27/84/43/563278443.db2.gz PZLJYXUNLFNKPF-BZUAXINKSA-N 0 3 399.329 2.847 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)c1[O-] ZINC000364498652 563755272 /nfs/dbraw/zinc/75/52/72/563755272.db2.gz YIGRDNFITCMRRZ-FZMZJTMJSA-N 0 3 393.285 2.653 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000367467780 563845995 /nfs/dbraw/zinc/84/59/95/563845995.db2.gz VWGKDLGKIPXHLK-JKSUJKDBSA-N 0 3 399.329 2.584 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000367467780 563845999 /nfs/dbraw/zinc/84/59/99/563845999.db2.gz VWGKDLGKIPXHLK-JKSUJKDBSA-N 0 3 399.329 2.584 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000527770381 564760763 /nfs/dbraw/zinc/76/07/63/564760763.db2.gz UYIBHBCGPMUJLO-SFHVURJKSA-N 0 3 394.265 2.619 20 10 GFCDHN COc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737100004 598682278 /nfs/dbraw/zinc/68/22/78/598682278.db2.gz SEOQRFJEDOWEAI-UHFFFAOYSA-N 0 3 382.443 2.727 20 10 GFCDHN COc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737100004 598682280 /nfs/dbraw/zinc/68/22/80/598682280.db2.gz SEOQRFJEDOWEAI-UHFFFAOYSA-N 0 3 382.443 2.727 20 10 GFCDHN CN1CCN(c2cc(C[NH2+]Cc3ccc(Br)cc3[O-])ccn2)CC1 ZINC000825121879 660411685 /nfs/dbraw/zinc/41/16/85/660411685.db2.gz VKMZRMUCDAYVLS-UHFFFAOYSA-N 0 3 391.313 2.591 20 10 GFCDHN O=S(=O)(N1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1)C(F)(F)F ZINC000834578400 660825482 /nfs/dbraw/zinc/82/54/82/660825482.db2.gz OHRKRNNXOASMPO-ZDUSSCGKSA-N 0 3 378.416 2.531 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1[O-] ZINC000783996035 657281174 /nfs/dbraw/zinc/28/11/74/657281174.db2.gz BAWFJVSHXAADPE-UHFFFAOYSA-N 0 3 395.301 2.953 20 10 GFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@H]1n1cccn1 ZINC000815166350 660115008 /nfs/dbraw/zinc/11/50/08/660115008.db2.gz BNWBKSMNWFAAFR-IIAWOOMASA-N 0 3 396.285 2.868 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1[O-] ZINC000848525799 661661414 /nfs/dbraw/zinc/66/14/14/661661414.db2.gz USOPPLNBANWVHY-GFCCVEGCSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1[O-] ZINC000848534903 661662528 /nfs/dbraw/zinc/66/25/28/661662528.db2.gz WDCBKGJORDMZPC-BQSGVUBFSA-N 0 3 383.286 2.823 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)NCCS(=O)(=O)CC2CC2)c1O ZINC000848535878 661662676 /nfs/dbraw/zinc/66/26/76/661662676.db2.gz LKHNRKURWAQZLH-SNVBAGLBSA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1[O-] ZINC000848543852 661663045 /nfs/dbraw/zinc/66/30/45/661663045.db2.gz HSXBUQQCFQEWLU-JQWIXIFHSA-N 0 3 392.315 2.781 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000865780398 662443008 /nfs/dbraw/zinc/44/30/08/662443008.db2.gz JFEZGAHHXVRHJE-AWEZNQCLSA-N 0 3 386.286 2.839 20 10 GFCDHN CS[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1N1CCCC1 ZINC000897377422 663603525 /nfs/dbraw/zinc/60/35/25/663603525.db2.gz NVPGRPYMSYXCQO-YVEFUNNKSA-N 0 3 378.519 2.964 20 10 GFCDHN CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1[O-] ZINC000903898212 663810742 /nfs/dbraw/zinc/81/07/42/663810742.db2.gz MLLHWTHHIMEVBV-HNNXBMFYSA-N 0 3 394.317 2.693 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1[O-] ZINC000359955073 209205262 /nfs/dbraw/zinc/20/52/62/209205262.db2.gz GWBKCYKBYJPDPF-UHFFFAOYSA-N 0 3 395.887 2.789 20 10 GFCDHN C[C@@H](Cn1cc(Br)cn1)NCc1ccc(N2CCOCC2)cc1 ZINC000151066603 551406499 /nfs/dbraw/zinc/40/64/99/551406499.db2.gz VDDINBNEPKPIIB-AWEZNQCLSA-N 0 3 379.302 2.661 20 10 GFCDHN C[C@H](Cn1cc(Br)cn1)NCc1ccc(N2CCOCC2)cc1 ZINC000151066653 551406713 /nfs/dbraw/zinc/40/67/13/551406713.db2.gz VDDINBNEPKPIIB-CQSZACIVSA-N 0 3 379.302 2.661 20 10 GFCDHN COCCCNC(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000179820623 552203970 /nfs/dbraw/zinc/20/39/70/552203970.db2.gz JRABDVCQADGVFA-UHFFFAOYSA-N 0 3 399.329 2.828 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000180798261 552236035 /nfs/dbraw/zinc/23/60/35/552236035.db2.gz VOCADSWNASJQJO-LBPRGKRZSA-N 0 3 381.274 2.667 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000367467779 563845665 /nfs/dbraw/zinc/84/56/65/563845665.db2.gz VWGKDLGKIPXHLK-HZPDHXFCSA-N 0 3 399.329 2.584 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000367467779 563845668 /nfs/dbraw/zinc/84/56/68/563845668.db2.gz VWGKDLGKIPXHLK-HZPDHXFCSA-N 0 3 399.329 2.584 20 10 GFCDHN C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000368328021 563868440 /nfs/dbraw/zinc/86/84/40/563868440.db2.gz NQFNVQSGNCKRJD-DZGCQCFKSA-N 0 3 382.346 2.974 20 10 GFCDHN COc1cc(Br)cc(CN[C@@H](C)C(=O)NCc2ccco2)c1O ZINC000111399363 655172542 /nfs/dbraw/zinc/17/25/42/655172542.db2.gz QBWQSAHZISRBFD-JTQLQIEISA-N 0 3 383.242 2.551 20 10 GFCDHN Cc1ccc(Br)cc1NC(=O)CNCc1cc2c(cc1O)OCO2 ZINC000725851526 655527884 /nfs/dbraw/zinc/52/78/84/655527884.db2.gz TUOGBSOQNBXZRU-UHFFFAOYSA-N 0 3 393.237 2.920 20 10 GFCDHN CNC(=O)CCOC1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775736748 656676743 /nfs/dbraw/zinc/67/67/43/656676743.db2.gz JIJVGHWOTVDMGH-UHFFFAOYSA-N 0 3 385.302 2.580 20 10 GFCDHN CNC(=O)CCOC1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000775736748 656676748 /nfs/dbraw/zinc/67/67/48/656676748.db2.gz JIJVGHWOTVDMGH-UHFFFAOYSA-N 0 3 385.302 2.580 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)c1[O-] ZINC000779016997 656897393 /nfs/dbraw/zinc/89/73/93/656897393.db2.gz GLOZNQYGRWPQMV-LLVKDONJSA-N 0 3 393.347 2.832 20 10 GFCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779054382 656898335 /nfs/dbraw/zinc/89/83/35/656898335.db2.gz WTPLQQABASFVJS-APHBMKBZSA-N 0 3 388.302 2.934 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000848533895 661661811 /nfs/dbraw/zinc/66/18/11/661661811.db2.gz NXFGUXMAVDKYTJ-SNVBAGLBSA-N 0 3 392.315 2.639 20 10 GFCDHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000848535157 661662692 /nfs/dbraw/zinc/66/26/92/661662692.db2.gz DULKATYYDUCDCU-CMPLNLGQSA-N 0 3 386.290 2.618 20 10 GFCDHN CCOc1ccc(CN[C@H]2Cc3cc(Br)cnc3NC2=O)c(O)c1 ZINC000897977719 663627984 /nfs/dbraw/zinc/62/79/84/663627984.db2.gz IYFJCRCUKYNVCM-AWEZNQCLSA-N 0 3 392.253 2.601 20 10 GFCDHN Cc1cc(Br)cc(CN2CCCN(c3cccnn3)CC2)c1O ZINC000180077682 552212187 /nfs/dbraw/zinc/21/21/87/552212187.db2.gz VSSFAUMNTPGEKN-UHFFFAOYSA-N 0 3 377.286 2.965 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000364663009 563761072 /nfs/dbraw/zinc/76/10/72/563761072.db2.gz SSFQWWJEPDZBPO-KRWDZBQOSA-N 0 3 383.286 2.608 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000364663009 563761075 /nfs/dbraw/zinc/76/10/75/563761075.db2.gz SSFQWWJEPDZBPO-KRWDZBQOSA-N 0 3 383.286 2.608 20 10 GFCDHN CN1CCN(c2ccc(C[NH2+]Cc3ccc(Br)cc3[O-])cn2)CC1 ZINC000825096944 660410430 /nfs/dbraw/zinc/41/04/30/660410430.db2.gz NKABHCYIGJHZIE-UHFFFAOYSA-N 0 3 391.313 2.591 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000725846549 655527868 /nfs/dbraw/zinc/52/78/68/655527868.db2.gz MKGQRAYOKLWEQA-AWEZNQCLSA-N 0 3 396.285 2.519 20 10 GFCDHN Cc1cc(Br)c([O-])c(C[NH2+]C(C)(C)CCN2CCN(C)CC2)c1 ZINC000769949495 656302023 /nfs/dbraw/zinc/30/20/23/656302023.db2.gz VKKBNLNNBNGADA-UHFFFAOYSA-N 0 3 384.362 2.969 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCSCC2)c1[O-] ZINC000848531946 661662179 /nfs/dbraw/zinc/66/21/79/661662179.db2.gz XXOPVNNVPOLSKV-LLVKDONJSA-N 0 3 375.332 2.863 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1[O-] ZINC000886736981 663116578 /nfs/dbraw/zinc/11/65/78/663116578.db2.gz OZWAEVHVMFDPEM-LLVKDONJSA-N 0 3 391.331 2.538 20 10 GFCDHN CN(C)c1ccc([C@@H](CNCc2cn(C)nc2Br)N(C)C)cc1 ZINC000898447724 663649972 /nfs/dbraw/zinc/64/99/72/663649972.db2.gz KWNKBEGTIQQZLD-MRXNPFEDSA-N 0 3 380.334 2.641 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Br)no2)N(C)C)cc1 ZINC000903045690 663772023 /nfs/dbraw/zinc/77/20/23/663772023.db2.gz KKUYFIWFNBXRDA-ZDUSSCGKSA-N 0 3 381.274 2.536 20 10 GFCDHN COc1cc([O-])c(C[NH2+]CCCCn2cc(Br)cn2)cc1OC ZINC000280631328 563347382 /nfs/dbraw/zinc/34/73/82/563347382.db2.gz QMFGUBFINAQMEI-UHFFFAOYSA-N 0 3 384.274 2.938 20 10 GFCDHN Oc1cc2c(cc1CN1CCC(n3cc(Br)cn3)CC1)OCO2 ZINC000363509851 563724623 /nfs/dbraw/zinc/72/46/23/563724623.db2.gz BTBWWBUGFRIUIE-UHFFFAOYSA-N 0 3 380.242 2.917 20 10 GFCDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763752 608121945 /nfs/dbraw/zinc/12/19/45/608121945.db2.gz OWQDKLHSPRYENE-MRXNPFEDSA-N 0 3 378.480 2.896 20 10 GFCDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763752 608121946 /nfs/dbraw/zinc/12/19/46/608121946.db2.gz OWQDKLHSPRYENE-MRXNPFEDSA-N 0 3 378.480 2.896 20 10 GFCDHN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763752 608121947 /nfs/dbraw/zinc/12/19/47/608121947.db2.gz OWQDKLHSPRYENE-MRXNPFEDSA-N 0 3 378.480 2.896 20 10 GFCDHN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824763752 608121948 /nfs/dbraw/zinc/12/19/48/608121948.db2.gz OWQDKLHSPRYENE-MRXNPFEDSA-N 0 3 378.480 2.896 20 10 GFCDHN CN(Cc1cccs1)c1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1 ZINC000824242511 660387877 /nfs/dbraw/zinc/38/78/77/660387877.db2.gz PYZJNGQCIKZYSM-UHFFFAOYSA-N 0 3 379.551 2.637 20 10 GFCDHN COc1cc(Br)cc(CN2CC[C@@H](CN3CCCC3=O)C2)c1O ZINC000827633843 660506099 /nfs/dbraw/zinc/50/60/99/660506099.db2.gz CSRLXMIAAVBICC-GFCCVEGCSA-N 0 3 383.286 2.608 20 10 GFCDHN COCCOCCOCCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000274433763 655188231 /nfs/dbraw/zinc/18/82/31/655188231.db2.gz OLAJUXROYILTKY-UHFFFAOYSA-N 0 3 376.291 2.622 20 10 GFCDHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1ccc(N(C)C)cc1 ZINC000796515962 658921795 /nfs/dbraw/zinc/92/17/95/658921795.db2.gz NIMOQTJYIHYQSB-UHFFFAOYSA-N 0 3 381.929 2.783 20 10 GFCDHN CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848553411 661664215 /nfs/dbraw/zinc/66/42/15/661664215.db2.gz MXPXHHZVBCOREP-JTQLQIEISA-N 0 3 380.304 2.639 20 10 GFCDHN COc1ccc(CNC(=[NH2+])NCc2cc(Br)ccc2[O-])cc1OC ZINC000849052045 661690678 /nfs/dbraw/zinc/69/06/78/661690678.db2.gz MYLKTTZYYYLEOS-UHFFFAOYSA-N 0 3 394.269 2.986 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c1[O-] ZINC000883309017 663053417 /nfs/dbraw/zinc/05/34/17/663053417.db2.gz CNMHOOMXIMJQOI-CMPLNLGQSA-N 0 3 392.315 2.781 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1[O-] ZINC000886333621 663108503 /nfs/dbraw/zinc/10/85/03/663108503.db2.gz LHYCPZAQPUNXHG-WHCBVINPSA-N 0 3 386.286 2.980 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCOCC3)c1[O-] ZINC000927153456 664705314 /nfs/dbraw/zinc/70/53/14/664705314.db2.gz MVJFJEWQFOQKTH-LKTVYLICSA-N 0 3 386.286 2.744 20 10 GFCDHN O=S(=O)(c1ccc(OCC[NH2+]Cc2ccccc2[O-])cc1)C(F)(F)F ZINC000121657344 677400109 /nfs/dbraw/zinc/40/01/09/677400109.db2.gz ZQMIDLBNQCEDRK-UHFFFAOYSA-N 0 3 375.368 2.854 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1[O-] ZINC000187159062 552408179 /nfs/dbraw/zinc/40/81/79/552408179.db2.gz FCXFIGCLHXWYGK-HIFRSBDPSA-N 0 3 384.362 2.997 20 10 GFCDHN COc1cc(Cl)cc(CNCCS(=O)(=O)CCc2ccccc2)c1O ZINC000282781786 563424548 /nfs/dbraw/zinc/42/45/48/563424548.db2.gz QLAUYMGARGWXTG-UHFFFAOYSA-N 0 3 383.897 2.801 20 10 GFCDHN C[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824611624 608474317 /nfs/dbraw/zinc/47/43/17/608474317.db2.gz CYLPPNKRIFBTEO-AWEZNQCLSA-N 0 3 382.443 2.693 20 10 GFCDHN C[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824611624 608474319 /nfs/dbraw/zinc/47/43/19/608474319.db2.gz CYLPPNKRIFBTEO-AWEZNQCLSA-N 0 3 382.443 2.693 20 10 GFCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824618231 609135067 /nfs/dbraw/zinc/13/50/67/609135067.db2.gz NLHDBNKVWKZIKC-CQSZACIVSA-N 0 3 382.443 2.693 20 10 GFCDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1cccc(Br)c1 ZINC000818011876 660213357 /nfs/dbraw/zinc/21/33/57/660213357.db2.gz NZALBQQSVCPMEE-MRXNPFEDSA-N 0 3 392.297 2.575 20 10 GFCDHN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045954 655348851 /nfs/dbraw/zinc/34/88/51/655348851.db2.gz ZORPAFOMANHFRL-ZIAGYGMSSA-N 0 3 376.469 2.670 20 10 GFCDHN O=C(NC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000327195782 655385909 /nfs/dbraw/zinc/38/59/09/655385909.db2.gz GXGRIUYEADSQHZ-BLLLJJGKSA-N 0 3 386.323 2.779 20 10 GFCDHN Cc1cc(Br)ccc1NC(=O)CNCc1cc2c(cc1O)OCO2 ZINC000732228222 655593702 /nfs/dbraw/zinc/59/37/02/655593702.db2.gz MCVPZALNXLDSNH-UHFFFAOYSA-N 0 3 393.237 2.920 20 10 GFCDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756459469 655900335 /nfs/dbraw/zinc/90/03/35/655900335.db2.gz ONXDBHBPTZKZMY-ZYHUDNBSSA-N 0 3 377.710 2.915 20 10 GFCDHN COc1cc(Cl)cc(CN2CCC(C(=O)NCC(F)(F)F)CC2)c1O ZINC000761192527 656002828 /nfs/dbraw/zinc/00/28/28/656002828.db2.gz QMRFGOPOLIKADM-UHFFFAOYSA-N 0 3 380.794 2.945 20 10 GFCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000840956254 661219918 /nfs/dbraw/zinc/21/99/18/661219918.db2.gz NFIZEYZRPAPABI-UHFFFAOYSA-N 0 3 383.853 2.858 20 10 GFCDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1cccc(Br)c1 ZINC000808170985 659880238 /nfs/dbraw/zinc/88/02/38/659880238.db2.gz FETVTQMAEQRRBE-OAHLLOKOSA-N 0 3 394.313 2.509 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000848550230 661663742 /nfs/dbraw/zinc/66/37/42/661663742.db2.gz GQWZIBSTYWDGPE-YPMHNXCESA-N 0 3 381.270 2.985 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCN2CCCO)c1[O-] ZINC000848554156 661664352 /nfs/dbraw/zinc/66/43/52/661664352.db2.gz QQAUVWKHJXBXSC-TZMCWYRMSA-N 0 3 387.318 2.661 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1[O-] ZINC000850356753 661771985 /nfs/dbraw/zinc/77/19/85/661771985.db2.gz RTAMPVKAKDCBPV-BHVCSQLQSA-N 0 3 376.316 2.943 20 10 GFCDHN [O-]c1cccc(Br)c1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000858094099 662098320 /nfs/dbraw/zinc/09/83/20/662098320.db2.gz CZGGAQFQRLRZLZ-MRXNPFEDSA-N 0 3 391.309 2.664 20 10 GFCDHN COc1cc(Br)cc(CNC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000865682659 662436345 /nfs/dbraw/zinc/43/63/45/662436345.db2.gz IWHXXRDGIMVAGG-LLVKDONJSA-N 0 3 395.179 2.648 20 10 GFCDHN [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000895192725 663502427 /nfs/dbraw/zinc/50/24/27/663502427.db2.gz KOFAHOLGZWPXDY-OAHLLOKOSA-N 0 3 387.293 2.981 20 10 GFCDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000182650017 552289395 /nfs/dbraw/zinc/28/93/95/552289395.db2.gz KHUUIDHSYWPICR-ZDUSSCGKSA-N 0 3 382.254 2.693 20 10 GFCDHN O=C(CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1)N1CCOCC1 ZINC000372413903 563305496 /nfs/dbraw/zinc/30/54/96/563305496.db2.gz SKAONZSHEWEKAZ-UHFFFAOYSA-N 0 3 397.313 2.616 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000364663016 563760734 /nfs/dbraw/zinc/76/07/34/563760734.db2.gz SSFQWWJEPDZBPO-QGZVFWFLSA-N 0 3 383.286 2.608 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000364663016 563760736 /nfs/dbraw/zinc/76/07/36/563760736.db2.gz SSFQWWJEPDZBPO-QGZVFWFLSA-N 0 3 383.286 2.608 20 10 GFCDHN CCN1CCN(CC(C)(C)[NH2+]Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000825275435 660417903 /nfs/dbraw/zinc/41/79/03/660417903.db2.gz MYWUBGKFIACUDM-UHFFFAOYSA-N 0 3 384.362 2.969 20 10 GFCDHN CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045974 655348801 /nfs/dbraw/zinc/34/88/01/655348801.db2.gz ZORPAFOMANHFRL-UONOGXRCSA-N 0 3 376.469 2.670 20 10 GFCDHN [O-]c1cc(Br)ccc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702554344 655521678 /nfs/dbraw/zinc/52/16/78/655521678.db2.gz UNNJNENQALCDNG-LJQANCHMSA-N 0 3 391.309 2.881 20 10 GFCDHN CC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1[O-] ZINC000775501179 656644269 /nfs/dbraw/zinc/64/42/69/656644269.db2.gz CHPCDLGWAKICHP-CZUORRHYSA-N 0 3 398.345 2.783 20 10 GFCDHN O=C(CC1(N2CCOCC2)CCCC1)NCc1cc(Br)ccc1O ZINC000804733163 659672943 /nfs/dbraw/zinc/67/29/43/659672943.db2.gz KQMPWKRUMJRPNJ-UHFFFAOYSA-N 0 3 397.313 2.806 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000848550392 661663753 /nfs/dbraw/zinc/66/37/53/661663753.db2.gz LIOGHBXLUQTFTN-MNOVXSKESA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1[O-] ZINC000850400580 661774776 /nfs/dbraw/zinc/77/47/76/661774776.db2.gz KEKUAQYNCPHGPS-KRWDZBQOSA-N 0 3 388.302 2.821 20 10 GFCDHN COc1ccc(N2CC[C@@H](CNCc3cn(C)nc3Br)C2)cc1 ZINC000858182874 662103539 /nfs/dbraw/zinc/10/35/39/662103539.db2.gz LDEHMNGNYFKYPE-ZDUSSCGKSA-N 0 3 379.302 2.807 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1[O-] ZINC000866411991 662471251 /nfs/dbraw/zinc/47/12/51/662471251.db2.gz AMBJRGCZYCIDDQ-AAEUAGOBSA-N 0 3 387.318 2.659 20 10 GFCDHN Cc1nc(CN2CCC[C@H]([NH2+]Cc3cc(Br)cc(C)c3[O-])C2)no1 ZINC000378451718 563507898 /nfs/dbraw/zinc/50/78/98/563507898.db2.gz FETWVTVPZABATQ-HNNXBMFYSA-N 0 3 395.301 2.909 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000360813303 563695171 /nfs/dbraw/zinc/69/51/71/563695171.db2.gz XSGYZKUCAIRJAR-FZMZJTMJSA-N 0 3 383.286 2.654 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000360813303 563695174 /nfs/dbraw/zinc/69/51/74/563695174.db2.gz XSGYZKUCAIRJAR-FZMZJTMJSA-N 0 3 383.286 2.654 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000360813304 563695548 /nfs/dbraw/zinc/69/55/48/563695548.db2.gz XSGYZKUCAIRJAR-RISCZKNCSA-N 0 3 383.286 2.654 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000360813304 563695551 /nfs/dbraw/zinc/69/55/51/563695551.db2.gz XSGYZKUCAIRJAR-RISCZKNCSA-N 0 3 383.286 2.654 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000368749799 563878106 /nfs/dbraw/zinc/87/81/06/563878106.db2.gz JGGSTYIPUOHADT-LRDDRELGSA-N 0 3 397.313 2.894 20 10 GFCDHN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCN1C1CCCC1 ZINC000528295212 564776084 /nfs/dbraw/zinc/77/60/84/564776084.db2.gz MMLFXWYJDUWEPN-HNNXBMFYSA-N 0 3 382.302 2.971 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1[O-] ZINC000825046672 660408475 /nfs/dbraw/zinc/40/84/75/660408475.db2.gz WSPZGURSPPLOHG-UKRRQHHQSA-N 0 3 396.285 2.907 20 10 GFCDHN CSc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330849 655612758 /nfs/dbraw/zinc/61/27/58/655612758.db2.gz PXEWCLVIHGQNRQ-UHFFFAOYSA-N 0 3 376.547 2.933 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1[O-] ZINC000848527381 661661346 /nfs/dbraw/zinc/66/13/46/661661346.db2.gz AMQRMPWEOLQLKK-CHWSQXEVSA-N 0 3 387.318 2.782 20 10 GFCDHN COCCCN(C)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848529667 661662092 /nfs/dbraw/zinc/66/20/92/661662092.db2.gz PRHPDSTUVHLXOX-GFCCVEGCSA-N 0 3 375.307 2.782 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000865780400 662443036 /nfs/dbraw/zinc/44/30/36/662443036.db2.gz JFEZGAHHXVRHJE-CQSZACIVSA-N 0 3 386.286 2.839 20 10 GFCDHN COc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1OC ZINC000894031431 663438804 /nfs/dbraw/zinc/43/88/04/663438804.db2.gz BVBAQYNFCAVYNZ-UHFFFAOYSA-N 0 3 385.869 2.756 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2ncc(Cl)s2)N(C)C)cc1 ZINC000896298042 663549603 /nfs/dbraw/zinc/54/96/03/663549603.db2.gz YDMAVCGPHYZHST-AWEZNQCLSA-N 0 3 381.933 2.965 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000187346479 552413398 /nfs/dbraw/zinc/41/33/98/552413398.db2.gz MPEPDARQMZYVNO-XHDPSFHLSA-N 0 3 393.285 2.653 20 10 GFCDHN C[C@H](NCCn1cc(Br)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000285819934 563538266 /nfs/dbraw/zinc/53/82/66/563538266.db2.gz XBTLASKNSCYSKJ-ZDUSSCGKSA-N 0 3 397.292 2.972 20 10 GFCDHN C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(Br)cc1[O-] ZINC000368330699 563868893 /nfs/dbraw/zinc/86/88/93/563868893.db2.gz XRVTYYSJTYIBDJ-DZGCQCFKSA-N 0 3 382.346 2.974 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000527811099 564761236 /nfs/dbraw/zinc/76/12/36/564761236.db2.gz PCYYPJNSAXDTHV-UHFFFAOYSA-N 0 3 385.302 2.902 20 10 GFCDHN CN1C(=O)CC[C@@H](NCc2ccc(N3CCCCC3)c(Br)c2)C1=O ZINC000818233701 660220413 /nfs/dbraw/zinc/22/04/13/660220413.db2.gz MNHHYAUXDNOBII-OAHLLOKOSA-N 0 3 394.313 2.676 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CCc2nnc3ccccn32)c1[O-] ZINC000731449893 655583678 /nfs/dbraw/zinc/58/36/78/655583678.db2.gz BNASYEJMMKBWBF-UHFFFAOYSA-N 0 3 377.242 2.538 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000754079191 655863365 /nfs/dbraw/zinc/86/33/65/655863365.db2.gz GNVIDTIGOUMIMJ-JKSUJKDBSA-N 0 3 396.281 2.738 20 10 GFCDHN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000790760696 658019963 /nfs/dbraw/zinc/01/99/63/658019963.db2.gz PEWBAHNOAVOWLR-TZMCWYRMSA-N 0 3 376.291 2.528 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1[O-] ZINC000850348420 661770829 /nfs/dbraw/zinc/77/08/29/661770829.db2.gz LRIUQBPFTBZTLV-NRFANRHFSA-N 0 3 390.221 2.564 20 10 GFCDHN Cc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000185431306 552363331 /nfs/dbraw/zinc/36/33/31/552363331.db2.gz VTIYDRQVSQACPU-LBPRGKRZSA-N 0 3 380.432 2.913 20 10 GFCDHN COc1cc(Br)cc(CN2CCC3(CCN(C)C3=O)CC2)c1O ZINC000370081991 563232772 /nfs/dbraw/zinc/23/27/72/563232772.db2.gz LDHUPYBCVCVOLB-UHFFFAOYSA-N 0 3 383.286 2.608 20 10 GFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(COC)CC[NH2+]CC1 ZINC000279921668 563315072 /nfs/dbraw/zinc/31/50/72/563315072.db2.gz NUWIJMBBXZHXQU-UHFFFAOYSA-N 0 3 385.302 2.519 20 10 GFCDHN CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000825961073 607529708 /nfs/dbraw/zinc/52/97/08/607529708.db2.gz AFTGYULOLSWMPC-UHFFFAOYSA-N 0 3 378.480 2.978 20 10 GFCDHN COc1ccc(N2CCC[N@H+](Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826209295 608648602 /nfs/dbraw/zinc/64/86/02/608648602.db2.gz VSNQMBWALVGATJ-UHFFFAOYSA-N 0 3 382.443 2.727 20 10 GFCDHN COc1ccc(N2CCC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826209295 608648603 /nfs/dbraw/zinc/64/86/03/608648603.db2.gz VSNQMBWALVGATJ-UHFFFAOYSA-N 0 3 382.443 2.727 20 10 GFCDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093146541 655017633 /nfs/dbraw/zinc/01/76/33/655017633.db2.gz DUICHHIHNXGZPN-QGZVFWFLSA-N 0 3 382.346 2.757 20 10 GFCDHN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093146541 655017636 /nfs/dbraw/zinc/01/76/36/655017636.db2.gz DUICHHIHNXGZPN-QGZVFWFLSA-N 0 3 382.346 2.757 20 10 GFCDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccnc(Cl)c1 ZINC000765979322 656157013 /nfs/dbraw/zinc/15/70/13/656157013.db2.gz QZJHBUXRVOHCFM-AWEZNQCLSA-N 0 3 379.913 2.821 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000767190239 656195980 /nfs/dbraw/zinc/19/59/80/656195980.db2.gz VXBYLYWGNOZXIA-UHFFFAOYSA-N 0 3 384.299 2.798 20 10 GFCDHN CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000790760687 658019312 /nfs/dbraw/zinc/01/93/12/658019312.db2.gz PEWBAHNOAVOWLR-GXTWGEPZSA-N 0 3 376.291 2.528 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1[O-] ZINC000848523457 661660705 /nfs/dbraw/zinc/66/07/05/661660705.db2.gz GCBAQQXBOBBUKA-WCQYABFASA-N 0 3 376.291 2.847 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c1[O-] ZINC000848523441 661661037 /nfs/dbraw/zinc/66/10/37/661661037.db2.gz FMNDFJUYPJOQJA-GFCCVEGCSA-N 0 3 387.318 2.661 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c1[O-] ZINC000848528962 661662105 /nfs/dbraw/zinc/66/21/05/661662105.db2.gz QMAQHCPTIQAXOA-AVGNSLFASA-N 0 3 387.318 2.923 20 10 GFCDHN COc1cc(Br)cc([C@H](C)NCCS(=O)(=O)C(C)C)c1O ZINC000848550616 661663606 /nfs/dbraw/zinc/66/36/06/661663606.db2.gz SALWYNKWFSXFMS-JTQLQIEISA-N 0 3 380.304 2.637 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848573479 661666047 /nfs/dbraw/zinc/66/60/47/661666047.db2.gz HFOQOMHQTUXTBW-BXKDBHETSA-N 0 3 385.258 2.797 20 10 GFCDHN COc1cc(Br)cc(CN2CCC3(CC2)C[C@H](O)CCO3)c1O ZINC000897262200 663597541 /nfs/dbraw/zinc/59/75/41/663597541.db2.gz VDPDURDJVJYMHP-CQSZACIVSA-N 0 3 386.286 2.669 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000903397234 663783669 /nfs/dbraw/zinc/78/36/69/663783669.db2.gz NJJIEVUSTRJIKY-DGCLKSJQSA-N 0 3 393.285 2.888 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c1[O-] ZINC000927153457 664705236 /nfs/dbraw/zinc/70/52/36/664705236.db2.gz MVJFJEWQFOQKTH-NZVBXONLSA-N 0 3 386.286 2.744 20 10 GFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000182650035 552289494 /nfs/dbraw/zinc/28/94/94/552289494.db2.gz KHUUIDHSYWPICR-CYBMUJFWSA-N 0 3 382.254 2.693 20 10 GFCDHN CN1CCN([C@H]2CCCC[N@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000377617602 563480854 /nfs/dbraw/zinc/48/08/54/563480854.db2.gz AMZKKLOZBKVNMT-KRWDZBQOSA-N 0 3 382.346 2.757 20 10 GFCDHN CN1CCN([C@H]2CCCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000377617602 563480859 /nfs/dbraw/zinc/48/08/59/563480859.db2.gz AMZKKLOZBKVNMT-KRWDZBQOSA-N 0 3 382.346 2.757 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)c1[O-] ZINC000364498654 563755523 /nfs/dbraw/zinc/75/55/23/563755523.db2.gz YIGRDNFITCMRRZ-SMDDNHRTSA-N 0 3 393.285 2.653 20 10 GFCDHN C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(Br)cc1[O-] ZINC000368330700 563868852 /nfs/dbraw/zinc/86/88/52/563868852.db2.gz XRVTYYSJTYIBDJ-HIFRSBDPSA-N 0 3 382.346 2.974 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824653756 660398811 /nfs/dbraw/zinc/39/88/11/660398811.db2.gz HEILJAHALIBFMZ-KCPJHIHWSA-N 0 3 386.286 2.525 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824653756 660398813 /nfs/dbraw/zinc/39/88/13/660398813.db2.gz HEILJAHALIBFMZ-KCPJHIHWSA-N 0 3 386.286 2.525 20 10 GFCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824677876 660399233 /nfs/dbraw/zinc/39/92/33/660399233.db2.gz KKPLMRBRJVOXEL-INIZCTEOSA-N 0 3 381.567 2.802 20 10 GFCDHN O=C(CNCc1cc2c(cc1O)OCO2)Nc1ccc(Br)cc1 ZINC000725849902 655527880 /nfs/dbraw/zinc/52/78/80/655527880.db2.gz WPIAEVSTXIVVSG-UHFFFAOYSA-N 0 3 379.210 2.612 20 10 GFCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000765261132 656139087 /nfs/dbraw/zinc/13/90/87/656139087.db2.gz MTNWWRHLMNXXQQ-GFCCVEGCSA-N 0 3 382.254 2.693 20 10 GFCDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(Cl)nc1 ZINC000771389650 656348061 /nfs/dbraw/zinc/34/80/61/656348061.db2.gz LJNNSCMHJQRLBR-CQSZACIVSA-N 0 3 379.913 2.821 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c1[O-] ZINC000779036573 656897805 /nfs/dbraw/zinc/89/78/05/656897805.db2.gz OVZYSFFIGSJFAS-LLVKDONJSA-N 0 3 376.316 2.939 20 10 GFCDHN C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1[O-] ZINC000800989970 659362088 /nfs/dbraw/zinc/36/20/88/659362088.db2.gz LXLHYUJRQFWWCG-JTQLQIEISA-N 0 3 390.839 2.953 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1[O-] ZINC000816667196 660164656 /nfs/dbraw/zinc/16/46/56/660164656.db2.gz GIQSLCVHFHBERQ-SJORKVTESA-N 0 3 386.286 2.573 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000848526090 661661552 /nfs/dbraw/zinc/66/15/52/661661552.db2.gz XIVNGCAFJRTLLW-GFCCVEGCSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000848548559 661663170 /nfs/dbraw/zinc/66/31/70/661663170.db2.gz HWYOGGGKWFIUFK-JVLSTEMRSA-N 0 3 390.318 2.972 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000848550229 661663705 /nfs/dbraw/zinc/66/37/05/661663705.db2.gz GQWZIBSTYWDGPE-WCQYABFASA-N 0 3 381.270 2.985 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1[O-] ZINC000848554612 661664381 /nfs/dbraw/zinc/66/43/81/661664381.db2.gz XWWSGSYMWLASFD-FPMFFAJLSA-N 0 3 385.302 2.677 20 10 GFCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c([O-])c1 ZINC000850495270 661779318 /nfs/dbraw/zinc/77/93/18/661779318.db2.gz ZHIGGFJHPIEDFP-GFCCVEGCSA-N 0 3 378.270 2.939 20 10 GFCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)c([O-])c1 ZINC000850495271 661779537 /nfs/dbraw/zinc/77/95/37/661779537.db2.gz ZHIGGFJHPIEDFP-LBPRGKRZSA-N 0 3 378.270 2.939 20 10 GFCDHN CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882979957 663045906 /nfs/dbraw/zinc/04/59/06/663045906.db2.gz UMULNAIVGXXNKE-CYBMUJFWSA-N 0 3 388.325 2.657 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1[O-] ZINC000883309019 663053429 /nfs/dbraw/zinc/05/34/29/663053429.db2.gz CNMHOOMXIMJQOI-PWSUYJOCSA-N 0 3 392.315 2.781 20 10 GFCDHN Cc1[nH]nc(Br)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243943 663331752 /nfs/dbraw/zinc/33/17/52/663331752.db2.gz WMWPXPVARMDOPO-CQSZACIVSA-N 0 3 394.317 2.579 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)CSCc2cscn2)N(C)C)cc1 ZINC000891254634 663332064 /nfs/dbraw/zinc/33/20/64/663332064.db2.gz ZPPDKJPEMIYSRE-QGZVFWFLSA-N 0 3 378.567 2.861 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000286898281 563579546 /nfs/dbraw/zinc/57/95/46/563579546.db2.gz DKVBPHPNTMQNEO-NWDGAFQWSA-N 0 3 376.316 2.939 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c1[O-] ZINC000779036575 656897678 /nfs/dbraw/zinc/89/76/78/656897678.db2.gz OVZYSFFIGSJFAS-NSHDSACASA-N 0 3 376.316 2.939 20 10 GFCDHN COc1ccc(N2CCC(NCc3ccc(S(C)(=O)=O)s3)CC2)cc1 ZINC000786958902 657496269 /nfs/dbraw/zinc/49/62/69/657496269.db2.gz CVVFQHICNYSMOO-UHFFFAOYSA-N 0 3 380.535 2.919 20 10 GFCDHN COc1cccc([O-])c1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000798500410 659114179 /nfs/dbraw/zinc/11/41/79/659114179.db2.gz NUKPRRJBDWDBRM-UHFFFAOYSA-N 0 3 384.885 2.512 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1[O-] ZINC000816667194 660164684 /nfs/dbraw/zinc/16/46/84/660164684.db2.gz GIQSLCVHFHBERQ-IAGOWNOFSA-N 0 3 386.286 2.573 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000848526092 661661400 /nfs/dbraw/zinc/66/14/00/661661400.db2.gz XIVNGCAFJRTLLW-LBPRGKRZSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000848555409 661664725 /nfs/dbraw/zinc/66/47/25/661664725.db2.gz AQEPZXHAZUAPQP-WDEREUQCSA-N 0 3 383.286 2.825 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1[O-] ZINC000886333620 663108542 /nfs/dbraw/zinc/10/85/42/663108542.db2.gz LHYCPZAQPUNXHG-PZSREKOKSA-N 0 3 386.286 2.980 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1[O-] ZINC000898058941 663631587 /nfs/dbraw/zinc/63/15/87/663631587.db2.gz ULXUAGJYPJNRPN-KRWDZBQOSA-N 0 3 396.285 2.692 20 10 GFCDHN C[C@@](CO)(NCc1cc2c(cc1O)OCO2)c1cccc(Br)c1 ZINC000898168366 663636650 /nfs/dbraw/zinc/63/66/50/663636650.db2.gz BUGZJYCOSGGDSW-KRWDZBQOSA-N 0 3 380.238 2.881 20 10 GFCDHN COc1cc(Cl)cc(CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1O ZINC000898400377 663648660 /nfs/dbraw/zinc/64/86/60/663648660.db2.gz YUKPQESWJKLFMX-RUZDIDTESA-N 0 3 389.949 2.841 20 10 GFCDHN C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cc(F)ccc1[O-] ZINC000903326921 663782278 /nfs/dbraw/zinc/78/22/78/663782278.db2.gz WCRUGNGNNLLTIB-OQPBUACISA-N 0 3 380.217 2.903 20 10 GFCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])CC2 ZINC000187367514 552413933 /nfs/dbraw/zinc/41/39/33/552413933.db2.gz ORPCWXATMIICIR-YPMHNXCESA-N 0 3 395.301 2.867 20 10 GFCDHN C[C@@H](CN(C)C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000287233083 563592097 /nfs/dbraw/zinc/59/20/97/563592097.db2.gz PMZWGBUMTPTJMF-GVIGZQTCSA-N 0 3 397.591 2.796 20 10 GFCDHN C[C@@H](CS(C)(=O)=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000367738479 563853420 /nfs/dbraw/zinc/85/34/20/563853420.db2.gz AZXKAGFPWGPFQY-LBPRGKRZSA-N 0 3 380.432 2.577 20 10 GFCDHN CC[N@H+](CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736536547 598618788 /nfs/dbraw/zinc/61/87/88/598618788.db2.gz LPWKJUUOUUHWSF-UHFFFAOYSA-N 0 3 395.511 2.734 20 10 GFCDHN CC[N@@H+](CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736536547 598618790 /nfs/dbraw/zinc/61/87/90/598618790.db2.gz LPWKJUUOUUHWSF-UHFFFAOYSA-N 0 3 395.511 2.734 20 10 GFCDHN Cc1cc(C)c(O)c(C[NH+]2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000826263693 607845596 /nfs/dbraw/zinc/84/55/96/607845596.db2.gz MQNYAUJQKMMDNK-UHFFFAOYSA-N 0 3 382.443 2.650 20 10 GFCDHN CC[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000181638070 655339491 /nfs/dbraw/zinc/33/94/91/655339491.db2.gz MGWCGZMMZJPGTK-SJORKVTESA-N 0 3 382.551 2.690 20 10 GFCDHN C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)cc1[O-] ZINC000756563994 655902150 /nfs/dbraw/zinc/90/21/50/655902150.db2.gz QQSFSFCSIIMAJI-CYBMUJFWSA-N 0 3 398.345 2.748 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000766488097 656173255 /nfs/dbraw/zinc/17/32/55/656173255.db2.gz IZXXAOLCVRSVNV-HNNXBMFYSA-N 0 3 384.245 2.996 20 10 GFCDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCCSc1nccs1 ZINC000787282620 657537516 /nfs/dbraw/zinc/53/75/16/657537516.db2.gz LHACABURCKUMCS-CQSZACIVSA-N 0 3 384.571 2.520 20 10 GFCDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000882985350 663046046 /nfs/dbraw/zinc/04/60/46/663046046.db2.gz TVEFIENQMVTECP-STQMWFEESA-N 0 3 375.694 2.761 20 10 GFCDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000882985350 663046048 /nfs/dbraw/zinc/04/60/48/663046048.db2.gz TVEFIENQMVTECP-STQMWFEESA-N 0 3 375.694 2.761 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2cnc(Cl)s2)N(C)C)cc1 ZINC000896144300 663542538 /nfs/dbraw/zinc/54/25/38/663542538.db2.gz WFLVSXPXEFXHQZ-OAHLLOKOSA-N 0 3 381.933 2.965 20 10 GFCDHN CN(C)c1ccc([C@@H](CNCc2c(Br)cnn2C)N(C)C)cc1 ZINC000898449598 663650046 /nfs/dbraw/zinc/65/00/46/663650046.db2.gz HXJASUCARCVMTF-MRXNPFEDSA-N 0 3 380.334 2.641 20 10 GFCDHN C[C@H](NCC(C)(C)CS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000926953918 664699533 /nfs/dbraw/zinc/69/95/33/664699533.db2.gz QQXSMBMBURHNMF-AWEZNQCLSA-N 0 3 388.961 2.898 20 10 GFCDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc(Br)c1[O-] ZINC000817977614 660212790 /nfs/dbraw/zinc/21/27/90/660212790.db2.gz LQVPUUOYDWNTHY-IGYIBNOWSA-N 0 3 376.092 2.786 20 10 GFCDHN CS(=O)(=O)c1cccc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000823670675 660377814 /nfs/dbraw/zinc/37/78/14/660377814.db2.gz CIFJCPHQEANWDN-UHFFFAOYSA-N 0 3 376.547 2.933 20 10 GFCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775664150 656662039 /nfs/dbraw/zinc/66/20/39/656662039.db2.gz UAOPRAFQZYQZEQ-ZIAGYGMSSA-N 0 3 399.329 2.826 20 10 GFCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775664150 656662045 /nfs/dbraw/zinc/66/20/45/656662045.db2.gz UAOPRAFQZYQZEQ-ZIAGYGMSSA-N 0 3 399.329 2.826 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1[O-] ZINC000848525492 661661493 /nfs/dbraw/zinc/66/14/93/661661493.db2.gz RHYJZSBUHHGXNT-CABZTGNLSA-N 0 3 381.274 2.729 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1[O-] ZINC000848528963 661661820 /nfs/dbraw/zinc/66/18/20/661661820.db2.gz QMAQHCPTIQAXOA-FRRDWIJNSA-N 0 3 387.318 2.923 20 10 GFCDHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000848535164 661662467 /nfs/dbraw/zinc/66/24/67/661662467.db2.gz DULKATYYDUCDCU-PWSUYJOCSA-N 0 3 386.290 2.618 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1[O-] ZINC000850348421 661770760 /nfs/dbraw/zinc/77/07/60/661770760.db2.gz LRIUQBPFTBZTLV-OAQYLSRUSA-N 0 3 390.221 2.564 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850395961 661774680 /nfs/dbraw/zinc/77/46/80/661774680.db2.gz FSJNUNLTKNENOP-NSHDSACASA-N 0 3 385.302 2.900 20 10 GFCDHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c(C)n1-c1ccc(Br)cn1 ZINC000852919232 661877220 /nfs/dbraw/zinc/87/72/20/661877220.db2.gz SOLXOPYMBIDHAO-HUUCEWRRSA-N 0 3 395.276 2.763 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[O-] ZINC000858290417 662107300 /nfs/dbraw/zinc/10/73/00/662107300.db2.gz XJBTWRMJRKZRNF-DYVFJYSZSA-N 0 3 395.253 2.884 20 10 GFCDHN Cc1cc(Br)cc(CNCc2n[nH]c(C3CCOCC3)n2)c1O ZINC000877677000 662881605 /nfs/dbraw/zinc/88/16/05/662881605.db2.gz LCYURNITTGNLLK-UHFFFAOYSA-N 0 3 381.274 2.765 20 10 GFCDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000882985349 663046017 /nfs/dbraw/zinc/04/60/17/663046017.db2.gz TVEFIENQMVTECP-QWHCGFSZSA-N 0 3 375.694 2.761 20 10 GFCDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000882985349 663046020 /nfs/dbraw/zinc/04/60/20/663046020.db2.gz TVEFIENQMVTECP-QWHCGFSZSA-N 0 3 375.694 2.761 20 10 GFCDHN C[NH+](C)CCOC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894016975 663437389 /nfs/dbraw/zinc/43/73/89/663437389.db2.gz KLHAYKKOORTCJY-UHFFFAOYSA-N 0 3 375.282 2.836 20 10 GFCDHN CC[C@@H](c1ccccc1O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000377711158 563484308 /nfs/dbraw/zinc/48/43/08/563484308.db2.gz YUWCKENORRRJHH-VNHYZAJKSA-N 0 3 380.432 2.597 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000367584318 563849476 /nfs/dbraw/zinc/84/94/76/563849476.db2.gz ADVGJTCXTPVLNX-OAHLLOKOSA-N 0 3 380.286 2.819 20 10 GFCDHN Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3-c3nnn[n-]3)CC1)CCC2 ZINC000738398788 598723710 /nfs/dbraw/zinc/72/37/10/598723710.db2.gz YUABWEGHGULJMJ-UHFFFAOYSA-N 0 3 390.491 2.773 20 10 GFCDHN Oc1cc2c(cc1C[N@H+]1CCCN(c3ccccc3-c3nnn[n-]3)CC1)CCC2 ZINC000738398788 598723711 /nfs/dbraw/zinc/72/37/11/598723711.db2.gz YUABWEGHGULJMJ-UHFFFAOYSA-N 0 3 390.491 2.773 20 10 GFCDHN Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3-c3nn[n-]n3)CC1)CCC2 ZINC000738398788 598723712 /nfs/dbraw/zinc/72/37/12/598723712.db2.gz YUABWEGHGULJMJ-UHFFFAOYSA-N 0 3 390.491 2.773 20 10 GFCDHN Oc1cc2c(cc1C[N@H+]1CCCN(c3ccccc3-c3nn[n-]n3)CC1)CCC2 ZINC000738398788 598723713 /nfs/dbraw/zinc/72/37/13/598723713.db2.gz YUABWEGHGULJMJ-UHFFFAOYSA-N 0 3 390.491 2.773 20 10 GFCDHN c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517038 608504924 /nfs/dbraw/zinc/50/49/24/608504924.db2.gz NCTBEOSGDBWYQE-OAQYLSRUSA-N 0 3 390.491 2.871 20 10 GFCDHN c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517038 608504926 /nfs/dbraw/zinc/50/49/26/608504926.db2.gz NCTBEOSGDBWYQE-OAQYLSRUSA-N 0 3 390.491 2.871 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653755 660398842 /nfs/dbraw/zinc/39/88/42/660398842.db2.gz HEILJAHALIBFMZ-GLQYFDAESA-N 0 3 386.286 2.525 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653755 660398844 /nfs/dbraw/zinc/39/88/44/660398844.db2.gz HEILJAHALIBFMZ-GLQYFDAESA-N 0 3 386.286 2.525 20 10 GFCDHN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824726246 660399956 /nfs/dbraw/zinc/39/99/56/660399956.db2.gz RPSOGJXERHMQFJ-KRWDZBQOSA-N 0 3 382.346 2.757 20 10 GFCDHN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824726246 660399957 /nfs/dbraw/zinc/39/99/57/660399957.db2.gz RPSOGJXERHMQFJ-KRWDZBQOSA-N 0 3 382.346 2.757 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000109070695 655141722 /nfs/dbraw/zinc/14/17/22/655141722.db2.gz UIZIWOUILBCMEJ-CQSZACIVSA-N 0 3 393.285 2.712 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1[O-] ZINC000725845133 655527900 /nfs/dbraw/zinc/52/79/00/655527900.db2.gz NHVFXBCCSBYXBP-UHFFFAOYSA-N 0 3 383.286 2.654 20 10 GFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000745823875 655755270 /nfs/dbraw/zinc/75/52/70/655755270.db2.gz UMGCKXDYBKOZEI-CQSZACIVSA-N 0 3 382.302 2.923 20 10 GFCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775664149 656661975 /nfs/dbraw/zinc/66/19/75/656661975.db2.gz UAOPRAFQZYQZEQ-UONOGXRCSA-N 0 3 399.329 2.826 20 10 GFCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775664149 656661985 /nfs/dbraw/zinc/66/19/85/656661985.db2.gz UAOPRAFQZYQZEQ-UONOGXRCSA-N 0 3 399.329 2.826 20 10 GFCDHN Cc1cc(Br)c([O-])c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000781909574 657088322 /nfs/dbraw/zinc/08/83/22/657088322.db2.gz FFPMRXSQWAACAX-MRXNPFEDSA-N 0 3 382.346 2.675 20 10 GFCDHN Cc1cc(Br)c([O-])c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000781909574 657088327 /nfs/dbraw/zinc/08/83/27/657088327.db2.gz FFPMRXSQWAACAX-MRXNPFEDSA-N 0 3 382.346 2.675 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1[O-] ZINC000850356755 661771876 /nfs/dbraw/zinc/77/18/76/661771876.db2.gz RTAMPVKAKDCBPV-RRMDADRESA-N 0 3 376.316 2.943 20 10 GFCDHN C[C@@H](NCC[S@@](=O)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850491096 661778730 /nfs/dbraw/zinc/77/87/30/661778730.db2.gz LDPFIZFVHGZMQA-XELLLNAOSA-N 0 3 382.423 2.624 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CCOCC(=O)OC(C)(C)C)c1[O-] ZINC000865684172 662436210 /nfs/dbraw/zinc/43/62/10/662436210.db2.gz PEYCYZPZYJKOAW-UHFFFAOYSA-N 0 3 390.274 2.611 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000895345115 663509388 /nfs/dbraw/zinc/50/93/88/663509388.db2.gz XQMJBHPWTGXNOT-CQSZACIVSA-N 0 3 398.301 2.543 20 10 GFCDHN COc1cc(Br)cc(CN2CCC3(CC2)C[C@@H](O)CCO3)c1O ZINC000897262199 663597564 /nfs/dbraw/zinc/59/75/64/663597564.db2.gz VDPDURDJVJYMHP-AWEZNQCLSA-N 0 3 386.286 2.669 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1[O-] ZINC000184710424 552342688 /nfs/dbraw/zinc/34/26/88/552342688.db2.gz VPFBXSRZADYIAC-UHFFFAOYSA-N 0 3 390.914 2.526 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1[O-] ZINC000373205824 563332026 /nfs/dbraw/zinc/33/20/26/563332026.db2.gz SAJWUYDRIMAATK-AWEZNQCLSA-N 0 3 395.301 2.655 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCN(c3ccncn3)C2)c1[O-] ZINC000373954452 563357119 /nfs/dbraw/zinc/35/71/19/563357119.db2.gz DYDTZAZLUWFQTG-AWEZNQCLSA-N 0 3 393.285 2.712 20 10 GFCDHN COc1cc(C)cc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1O ZINC000826178443 607846377 /nfs/dbraw/zinc/84/63/77/607846377.db2.gz YFSPIPUBOPYZDP-UHFFFAOYSA-N 0 3 394.479 2.602 20 10 GFCDHN COc1cc(C)cc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1O ZINC000826178443 607846378 /nfs/dbraw/zinc/84/63/78/607846378.db2.gz YFSPIPUBOPYZDP-UHFFFAOYSA-N 0 3 394.479 2.602 20 10 GFCDHN COc1cc(C)cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1O ZINC000826178443 607846379 /nfs/dbraw/zinc/84/63/79/607846379.db2.gz YFSPIPUBOPYZDP-UHFFFAOYSA-N 0 3 394.479 2.602 20 10 GFCDHN COc1cc(C)cc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1O ZINC000826178443 607846380 /nfs/dbraw/zinc/84/63/80/607846380.db2.gz YFSPIPUBOPYZDP-UHFFFAOYSA-N 0 3 394.479 2.602 20 10 GFCDHN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093146545 655017481 /nfs/dbraw/zinc/01/74/81/655017481.db2.gz DUICHHIHNXGZPN-KRWDZBQOSA-N 0 3 382.346 2.757 20 10 GFCDHN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093146545 655017484 /nfs/dbraw/zinc/01/74/84/655017484.db2.gz DUICHHIHNXGZPN-KRWDZBQOSA-N 0 3 382.346 2.757 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000109070697 655141716 /nfs/dbraw/zinc/14/17/16/655141716.db2.gz UIZIWOUILBCMEJ-AWEZNQCLSA-N 0 3 393.285 2.712 20 10 GFCDHN COc1cc(Br)cc(CNCC(=O)N2CCc3ccccc32)c1O ZINC000729685228 655566734 /nfs/dbraw/zinc/56/67/34/655566734.db2.gz YTHJTYBSTOALRL-UHFFFAOYSA-N 0 3 391.265 2.842 20 10 GFCDHN Cc1cc(Br)c([O-])c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000781909567 657088385 /nfs/dbraw/zinc/08/83/85/657088385.db2.gz FFPMRXSQWAACAX-INIZCTEOSA-N 0 3 382.346 2.675 20 10 GFCDHN Cc1cc(Br)c([O-])c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000781909567 657088390 /nfs/dbraw/zinc/08/83/90/657088390.db2.gz FFPMRXSQWAACAX-INIZCTEOSA-N 0 3 382.346 2.675 20 10 GFCDHN Cc1cc(Cl)cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000816624724 660163469 /nfs/dbraw/zinc/16/34/69/660163469.db2.gz FUCGEJGGRANJLR-UHFFFAOYSA-N 0 3 384.885 2.512 20 10 GFCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000816624724 660163470 /nfs/dbraw/zinc/16/34/70/660163470.db2.gz FUCGEJGGRANJLR-UHFFFAOYSA-N 0 3 384.885 2.512 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1[O-] ZINC000898056759 663631561 /nfs/dbraw/zinc/63/15/61/663631561.db2.gz NLMLORLITYLJQI-KRWDZBQOSA-N 0 3 380.286 2.992 20 10 GFCDHN Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000185431284 552363164 /nfs/dbraw/zinc/36/31/64/552363164.db2.gz VTIYDRQVSQACPU-GFCCVEGCSA-N 0 3 380.432 2.913 20 10 GFCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c([O-])c1 ZINC000284853456 563492744 /nfs/dbraw/zinc/49/27/44/563492744.db2.gz AEURXGIIQRCEHO-ZDUSSCGKSA-N 0 3 376.469 2.924 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000368749800 563878395 /nfs/dbraw/zinc/87/83/95/563878395.db2.gz JGGSTYIPUOHADT-MLGOLLRUSA-N 0 3 397.313 2.894 20 10 GFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529359645 564831350 /nfs/dbraw/zinc/83/13/50/564831350.db2.gz MHSSDFJETSXPQJ-OAHLLOKOSA-N 0 3 382.302 2.971 20 10 GFCDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1ccccc1Br ZINC000818012957 660213687 /nfs/dbraw/zinc/21/36/87/660213687.db2.gz ZGHWQWSOLURMBF-CQSZACIVSA-N 0 3 392.297 2.575 20 10 GFCDHN O=S(=O)([N-]CC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1F ZINC000834789957 660833209 /nfs/dbraw/zinc/83/32/09/660833209.db2.gz JXIXKAHMCZLIAT-CQSZACIVSA-N 0 3 384.860 2.740 20 10 GFCDHN COc1cc(Cl)cc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000761183619 656002559 /nfs/dbraw/zinc/00/25/59/656002559.db2.gz OKSKYOLKCFIDPN-LLVKDONJSA-N 0 3 384.885 2.895 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1[O-] ZINC000850396161 661774583 /nfs/dbraw/zinc/77/45/83/661774583.db2.gz HJHVTUJAQXKVEC-HNNXBMFYSA-N 0 3 385.302 2.506 20 10 GFCDHN COc1cc(Br)cc([C@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602672 662115857 /nfs/dbraw/zinc/11/58/57/662115857.db2.gz GFVBFNLHKJUILJ-IINYFYTJSA-N 0 3 383.286 2.967 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602672 662115860 /nfs/dbraw/zinc/11/58/60/662115860.db2.gz GFVBFNLHKJUILJ-IINYFYTJSA-N 0 3 383.286 2.967 20 10 GFCDHN CCN1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000882889436 663044698 /nfs/dbraw/zinc/04/46/98/663044698.db2.gz ABCCJMDHJPVIIM-LBPRGKRZSA-N 0 3 390.753 2.924 20 10 GFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnn1CCN(C)C ZINC000901056449 663729582 /nfs/dbraw/zinc/72/95/82/663729582.db2.gz KWPJYDADXHWVCF-UHFFFAOYSA-N 0 3 395.301 2.575 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000367967876 563860851 /nfs/dbraw/zinc/86/08/51/563860851.db2.gz JUNBCVTWEHANFV-GUYCJALGSA-N 0 3 380.238 2.748 20 10 GFCDHN CC[NH+](CC)CCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736530169 598931071 /nfs/dbraw/zinc/93/10/71/598931071.db2.gz FKCMMAWEMBVGTJ-UHFFFAOYSA-N 0 3 395.511 2.736 20 10 GFCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000821804931 599417495 /nfs/dbraw/zinc/41/74/95/599417495.db2.gz RCJOMXQNUJXFKS-HNNXBMFYSA-N 0 3 394.479 2.563 20 10 GFCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000821804931 599417498 /nfs/dbraw/zinc/41/74/98/599417498.db2.gz RCJOMXQNUJXFKS-HNNXBMFYSA-N 0 3 394.479 2.563 20 10 GFCDHN CN(C)c1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000825879189 608584770 /nfs/dbraw/zinc/58/47/70/608584770.db2.gz JDBURFRJIWOVOW-UHFFFAOYSA-N 0 3 377.496 2.645 20 10 GFCDHN CN(C)c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000825879189 608584771 /nfs/dbraw/zinc/58/47/71/608584771.db2.gz JDBURFRJIWOVOW-UHFFFAOYSA-N 0 3 377.496 2.645 20 10 GFCDHN CN(C)c1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000825879189 608584772 /nfs/dbraw/zinc/58/47/72/608584772.db2.gz JDBURFRJIWOVOW-UHFFFAOYSA-N 0 3 377.496 2.645 20 10 GFCDHN CN(C)c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000825879189 608584773 /nfs/dbraw/zinc/58/47/73/608584773.db2.gz JDBURFRJIWOVOW-UHFFFAOYSA-N 0 3 377.496 2.645 20 10 GFCDHN COc1cc(Br)cc(CN[C@H](C)C(=O)NCc2ccco2)c1O ZINC000111399365 655172449 /nfs/dbraw/zinc/17/24/49/655172449.db2.gz QBWQSAHZISRBFD-SNVBAGLBSA-N 0 3 383.242 2.551 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1[O-] ZINC000275395965 655233795 /nfs/dbraw/zinc/23/37/95/655233795.db2.gz ZHGKVIZGNLDRMO-CYBMUJFWSA-N 0 3 398.345 2.666 20 10 GFCDHN CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000790760693 658019383 /nfs/dbraw/zinc/01/93/83/658019383.db2.gz PEWBAHNOAVOWLR-OCCSQVGLSA-N 0 3 376.291 2.528 20 10 GFCDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)n1-c1cccc(Br)c1 ZINC000808170978 659880273 /nfs/dbraw/zinc/88/02/73/659880273.db2.gz FETVTQMAEQRRBE-HNNXBMFYSA-N 0 3 394.313 2.509 20 10 GFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1[O-] ZINC000808708539 659903177 /nfs/dbraw/zinc/90/31/77/659903177.db2.gz MSUISUFZTGFLMC-DGCLKSJQSA-N 0 3 389.926 2.901 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1[O-] ZINC000848525800 661661602 /nfs/dbraw/zinc/66/16/02/661661602.db2.gz USOPPLNBANWVHY-LBPRGKRZSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC(OC)CC2)c1[O-] ZINC000848531824 661661909 /nfs/dbraw/zinc/66/19/09/661661909.db2.gz UCEIHWCOJWKTNB-GFCCVEGCSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1[O-] ZINC000848543854 661663294 /nfs/dbraw/zinc/66/32/94/661663294.db2.gz HSXBUQQCFQEWLU-ZYHUDNBSSA-N 0 3 392.315 2.781 20 10 GFCDHN CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848550789 661663857 /nfs/dbraw/zinc/66/38/57/661663857.db2.gz WISWRRNLWPFMJT-SKDRFNHKSA-N 0 3 391.331 2.682 20 10 GFCDHN CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000850555752 661781509 /nfs/dbraw/zinc/78/15/09/661781509.db2.gz IRCVSTVCCJMWAB-SNVBAGLBSA-N 0 3 392.315 2.781 20 10 GFCDHN COc1cc(Br)cc(CN2CCC(CCO)(CCO)CC2)c1O ZINC000877691679 662881970 /nfs/dbraw/zinc/88/19/70/662881970.db2.gz OJZSGVZGLRKIES-UHFFFAOYSA-N 0 3 388.302 2.510 20 10 GFCDHN COc1ccc(CN[C@H](CO)c2ccc(Br)cc2)c(O)c1OC ZINC000893260590 663404529 /nfs/dbraw/zinc/40/45/29/663404529.db2.gz NZVVWCYCMIELIY-CQSZACIVSA-N 0 3 382.254 2.995 20 10 GFCDHN COc1cccc([C@@H](C)N[C@@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000903326483 663782072 /nfs/dbraw/zinc/78/20/72/663782072.db2.gz QSTSCWFBYYKXDO-NOZJJQNGSA-N 0 3 392.253 2.772 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c1[O-] ZINC000927153458 664705264 /nfs/dbraw/zinc/70/52/64/664705264.db2.gz MVJFJEWQFOQKTH-VQISRLSMSA-N 0 3 386.286 2.744 20 10 GFCDHN Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cc(Br)cc(C)c3[O-])C2)no1 ZINC000378451719 563507817 /nfs/dbraw/zinc/50/78/17/563507817.db2.gz FETWVTVPZABATQ-OAHLLOKOSA-N 0 3 395.301 2.909 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824501552 660394685 /nfs/dbraw/zinc/39/46/85/660394685.db2.gz OHQRTWDLYDQZPQ-HNNXBMFYSA-N 0 3 384.245 2.996 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000827681056 660508678 /nfs/dbraw/zinc/50/86/78/660508678.db2.gz STDKDWRLHWESQA-GFCCVEGCSA-N 0 3 385.302 2.900 20 10 GFCDHN CN(C)c1ccc(/C=C\CNCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000835042613 660839252 /nfs/dbraw/zinc/83/92/52/660839252.db2.gz WEHYOYKCZBCLGN-XQRVVYSFSA-N 0 3 379.551 2.738 20 10 GFCDHN NC(=O)c1csc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000132692369 654946096 /nfs/dbraw/zinc/94/60/96/654946096.db2.gz ISANMSKQHIHQRX-OAHLLOKOSA-N 0 3 379.913 2.960 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c1O ZINC000179340888 655312907 /nfs/dbraw/zinc/31/29/07/655312907.db2.gz QGQMEEXCXGJJNT-ZDUSSCGKSA-N 0 3 397.313 2.902 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000779019016 656897470 /nfs/dbraw/zinc/89/74/70/656897470.db2.gz TYNVBRPTRKQNJZ-WCQYABFASA-N 0 3 391.331 2.538 20 10 GFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1[O-] ZINC000808708541 659903600 /nfs/dbraw/zinc/90/36/00/659903600.db2.gz MSUISUFZTGFLMC-YPMHNXCESA-N 0 3 389.926 2.901 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1[O-] ZINC000848527387 661661451 /nfs/dbraw/zinc/66/14/51/661661451.db2.gz AMQRMPWEOLQLKK-STQMWFEESA-N 0 3 387.318 2.782 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1[O-] ZINC000848549110 661663884 /nfs/dbraw/zinc/66/38/84/661663884.db2.gz KMIQAUJNJQEVOL-SNVBAGLBSA-N 0 3 392.315 2.781 20 10 GFCDHN CN1CCN(c2ccc(CNCc3cccnc3Br)cc2)CC1 ZINC000883282902 663052244 /nfs/dbraw/zinc/05/22/44/663052244.db2.gz KIYJROWFPNKXJN-UHFFFAOYSA-N 0 3 375.314 2.886 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1[O-] ZINC000886333619 663108511 /nfs/dbraw/zinc/10/85/11/663108511.db2.gz LHYCPZAQPUNXHG-HYSWKAIVSA-N 0 3 386.286 2.980 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncccc2Br)N(C)C)cc1 ZINC000891246340 663332032 /nfs/dbraw/zinc/33/20/32/663332032.db2.gz BCDVIOKZBLUQFA-MRXNPFEDSA-N 0 3 391.313 2.943 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccncc2Br)N(C)C)cc1 ZINC000891254250 663332037 /nfs/dbraw/zinc/33/20/37/663332037.db2.gz XWKFAOSPIIITJJ-QGZVFWFLSA-N 0 3 391.313 2.943 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1[O-] ZINC000896689839 663571743 /nfs/dbraw/zinc/57/17/43/663571743.db2.gz JWBPDSLGVWKUHU-UHFFFAOYSA-N 0 3 386.286 2.601 20 10 GFCDHN C[C@@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N(C)C ZINC000298349337 563351932 /nfs/dbraw/zinc/35/19/32/563351932.db2.gz MHFRFGXVWYAAIT-GVIGZQTCSA-N 0 3 397.591 2.796 20 10 GFCDHN COCCC[N@@H+]1CCCN(Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000362385956 563706478 /nfs/dbraw/zinc/70/64/78/563706478.db2.gz MFLUGZXRAUBFKN-UHFFFAOYSA-N 0 3 387.318 2.708 20 10 GFCDHN COCCC[N@H+]1CCCN(Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000362385956 563706481 /nfs/dbraw/zinc/70/64/81/563706481.db2.gz MFLUGZXRAUBFKN-UHFFFAOYSA-N 0 3 387.318 2.708 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)c1[O-] ZINC000364498651 563755453 /nfs/dbraw/zinc/75/54/53/563755453.db2.gz YIGRDNFITCMRRZ-BXUZGUMPSA-N 0 3 393.285 2.653 20 10 GFCDHN COc1ccc(N2CCC([NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)CC2)cc1 ZINC000826208840 608284516 /nfs/dbraw/zinc/28/45/16/608284516.db2.gz BZFASXBYZVANIX-UHFFFAOYSA-N 0 3 382.443 2.773 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000754079188 655863368 /nfs/dbraw/zinc/86/33/68/655863368.db2.gz GNVIDTIGOUMIMJ-HZPDHXFCSA-N 0 3 396.281 2.738 20 10 GFCDHN O=C(NCc1cc(Br)ccc1O)Nc1cnc2c(c1)CNCC2 ZINC000841322182 661252401 /nfs/dbraw/zinc/25/24/01/661252401.db2.gz POUPULGBMJYFNO-UHFFFAOYSA-N 0 3 377.242 2.517 20 10 GFCDHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1ccc2c(c1)CCO2 ZINC000796516683 658921737 /nfs/dbraw/zinc/92/17/37/658921737.db2.gz VSSLACPYLUPTRZ-UHFFFAOYSA-N 0 3 380.897 2.651 20 10 GFCDHN O=C(NCc1cc(Br)ccc1O)NC[C@H]1NCCc2ccccc21 ZINC000841997723 661319222 /nfs/dbraw/zinc/31/92/22/661319222.db2.gz OZCQOFAVUGQPIW-MRXNPFEDSA-N 0 3 390.281 2.841 20 10 GFCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2[O-])C[C@H]1C1CC1 ZINC000846121998 661533665 /nfs/dbraw/zinc/53/36/65/661533665.db2.gz FFZMTCWRFFQIEX-UONOGXRCSA-N 0 3 384.270 2.794 20 10 GFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C[C@H]1C1CC1 ZINC000846121998 661533667 /nfs/dbraw/zinc/53/36/67/661533667.db2.gz FFZMTCWRFFQIEX-UONOGXRCSA-N 0 3 384.270 2.794 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c1[O-] ZINC000848516992 661660771 /nfs/dbraw/zinc/66/07/71/661660771.db2.gz CJNVLJUGXLBASL-SNVBAGLBSA-N 0 3 383.242 2.837 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCCN2CCO)c1[O-] ZINC000848554647 661664225 /nfs/dbraw/zinc/66/42/25/661664225.db2.gz YQMPOCMIPZVEFO-TZMCWYRMSA-N 0 3 387.318 2.661 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1[O-] ZINC000850396162 661774661 /nfs/dbraw/zinc/77/46/61/661774661.db2.gz HJHVTUJAQXKVEC-OAHLLOKOSA-N 0 3 385.302 2.506 20 10 GFCDHN C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cc(F)ccc1[O-] ZINC000850492573 661779166 /nfs/dbraw/zinc/77/91/66/661779166.db2.gz FAKJJGLNNNFWQY-SNVBAGLBSA-N 0 3 382.233 2.769 20 10 GFCDHN COc1cc(Br)cc(CNC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000865682663 662436220 /nfs/dbraw/zinc/43/62/20/662436220.db2.gz IWHXXRDGIMVAGG-NSHDSACASA-N 0 3 395.179 2.648 20 10 GFCDHN Cc1n[nH]c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1Br ZINC000891256015 663331935 /nfs/dbraw/zinc/33/19/35/663331935.db2.gz VMZUDOYULCVZTI-CQSZACIVSA-N 0 3 394.317 2.579 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)NCc2cnc(Cl)s2)N(C)C)cc1 ZINC000896144299 663542585 /nfs/dbraw/zinc/54/25/85/663542585.db2.gz WFLVSXPXEFXHQZ-HNNXBMFYSA-N 0 3 381.933 2.965 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ncc(Cl)s2)N(C)C)cc1 ZINC000896298043 663549659 /nfs/dbraw/zinc/54/96/59/663549659.db2.gz YDMAVCGPHYZHST-CQSZACIVSA-N 0 3 381.933 2.965 20 10 GFCDHN Cc1cc(O)c(CN[C@H]2Cc3cc(Br)cnc3NC2=O)cc1C ZINC000897977717 663628010 /nfs/dbraw/zinc/62/80/10/663628010.db2.gz IXFYJJIRRXKFJI-AWEZNQCLSA-N 0 3 376.254 2.820 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1[O-] ZINC000926955679 664699505 /nfs/dbraw/zinc/69/95/05/664699505.db2.gz OGXRVOAXGIXMDR-SNVBAGLBSA-N 0 3 394.331 2.885 20 10 GFCDHN CCOc1ccc(O)c(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000736646344 598274806 /nfs/dbraw/zinc/27/48/06/598274806.db2.gz FPZLMPXYGPCUML-UHFFFAOYSA-N 0 3 385.493 2.994 20 10 GFCDHN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737516402 600426475 /nfs/dbraw/zinc/42/64/75/600426475.db2.gz AKVFWFICCYQLDW-SFHVURJKSA-N 0 3 397.519 2.846 20 10 GFCDHN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737516402 600426477 /nfs/dbraw/zinc/42/64/77/600426477.db2.gz AKVFWFICCYQLDW-SFHVURJKSA-N 0 3 397.519 2.846 20 10 GFCDHN C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000824614123 608474559 /nfs/dbraw/zinc/47/45/59/608474559.db2.gz YUOBNRSHXIBHSW-CQSZACIVSA-N 0 3 382.443 2.693 20 10 GFCDHN C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000824614123 608474561 /nfs/dbraw/zinc/47/45/61/608474561.db2.gz YUOBNRSHXIBHSW-CQSZACIVSA-N 0 3 382.443 2.693 20 10 GFCDHN CCOc1ccc(O)c(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000825643316 608584755 /nfs/dbraw/zinc/58/47/55/608584755.db2.gz LZKJRDCNIXPADT-UHFFFAOYSA-N 0 3 394.479 2.683 20 10 GFCDHN CCOc1ccc(O)c(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000825643316 608584756 /nfs/dbraw/zinc/58/47/56/608584756.db2.gz LZKJRDCNIXPADT-UHFFFAOYSA-N 0 3 394.479 2.683 20 10 GFCDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824726247 660399984 /nfs/dbraw/zinc/39/99/84/660399984.db2.gz RPSOGJXERHMQFJ-QGZVFWFLSA-N 0 3 382.346 2.757 20 10 GFCDHN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824726247 660399985 /nfs/dbraw/zinc/39/99/85/660399985.db2.gz RPSOGJXERHMQFJ-QGZVFWFLSA-N 0 3 382.346 2.757 20 10 GFCDHN Cc1ccc(S(=O)(=O)NCCNC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835041847 660839262 /nfs/dbraw/zinc/83/92/62/660839262.db2.gz OKJISDMDZOYKJX-PLNGDYQASA-N 0 3 379.551 2.704 20 10 GFCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c2c1c(F)ccc2[O-] ZINC000756767280 655904768 /nfs/dbraw/zinc/90/47/68/655904768.db2.gz FLNSZGDECSKSRQ-MDZLAQPJSA-N 0 3 385.482 2.566 20 10 GFCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c2c1c(F)ccc2[O-] ZINC000756767282 655904839 /nfs/dbraw/zinc/90/48/39/655904839.db2.gz FLNSZGDECSKSRQ-NQBHXWOUSA-N 0 3 385.482 2.566 20 10 GFCDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccnc(Cl)c1 ZINC000765979323 656156959 /nfs/dbraw/zinc/15/69/59/656156959.db2.gz QZJHBUXRVOHCFM-CQSZACIVSA-N 0 3 379.913 2.821 20 10 GFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(n3cc(Br)cn3)CC1)[C@@H](O)CO2 ZINC000768452809 656239352 /nfs/dbraw/zinc/23/93/52/656239352.db2.gz SQTKAACTFVNOPI-INIZCTEOSA-N 0 3 394.269 2.614 20 10 GFCDHN COC(=O)[C@H]1CC12CCN(Cc1cc(Br)cc(OC)c1O)CC2 ZINC000769426126 656275926 /nfs/dbraw/zinc/27/59/26/656275926.db2.gz CFAXHFXGQBHOSI-CYBMUJFWSA-N 0 3 384.270 2.938 20 10 GFCDHN C[C@H](NCC[S@](=O)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850491095 661778669 /nfs/dbraw/zinc/77/86/69/661778669.db2.gz LDPFIZFVHGZMQA-VDBVYFBLSA-N 0 3 382.423 2.624 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1[O-] ZINC000886333622 663108536 /nfs/dbraw/zinc/10/85/36/663108536.db2.gz LHYCPZAQPUNXHG-YLVFBTJISA-N 0 3 386.286 2.980 20 10 GFCDHN Cc1[nH]nc(Br)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243942 663331867 /nfs/dbraw/zinc/33/18/67/663331867.db2.gz WMWPXPVARMDOPO-AWEZNQCLSA-N 0 3 394.317 2.579 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Br)no2)N(C)C)cc1 ZINC000903045689 663772051 /nfs/dbraw/zinc/77/20/51/663772051.db2.gz KKUYFIWFNBXRDA-CYBMUJFWSA-N 0 3 381.274 2.536 20 10 GFCDHN O=C(NCCNCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000121144072 551227809 /nfs/dbraw/zinc/22/78/09/551227809.db2.gz DCVYRSQMOXWMDU-UHFFFAOYSA-N 0 3 375.266 2.904 20 10 GFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279082101 563283156 /nfs/dbraw/zinc/28/31/56/563283156.db2.gz VGHGKMNDRTWVIZ-NSHDSACASA-N 0 3 393.285 2.617 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000360813302 563695589 /nfs/dbraw/zinc/69/55/89/563695589.db2.gz XSGYZKUCAIRJAR-BXUZGUMPSA-N 0 3 383.286 2.654 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000360813302 563695592 /nfs/dbraw/zinc/69/55/92/563695592.db2.gz XSGYZKUCAIRJAR-BXUZGUMPSA-N 0 3 383.286 2.654 20 10 GFCDHN COc1ccc(N2CCC[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821831602 606963424 /nfs/dbraw/zinc/96/34/24/606963424.db2.gz FRDIPWZUTOZQFV-UHFFFAOYSA-N 0 3 382.443 2.727 20 10 GFCDHN COc1ccc(N2CCC[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821831602 606963426 /nfs/dbraw/zinc/96/34/26/606963426.db2.gz FRDIPWZUTOZQFV-UHFFFAOYSA-N 0 3 382.443 2.727 20 10 GFCDHN Oc1ccccc1C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@@H]1CCCO1 ZINC000823732015 606973740 /nfs/dbraw/zinc/97/37/40/606973740.db2.gz IJYMDCFLTVTLMN-INIZCTEOSA-N 0 3 383.427 2.893 20 10 GFCDHN Oc1ccccc1C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@@H]1CCCO1 ZINC000823732015 606973742 /nfs/dbraw/zinc/97/37/42/606973742.db2.gz IJYMDCFLTVTLMN-INIZCTEOSA-N 0 3 383.427 2.893 20 10 GFCDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(N(C)C)cc1 ZINC000820414357 607046123 /nfs/dbraw/zinc/04/61/23/607046123.db2.gz XZPIXNWZMVEDBN-HNNXBMFYSA-N 0 3 392.511 2.647 20 10 GFCDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(N(C)C)cc1 ZINC000820414357 607046124 /nfs/dbraw/zinc/04/61/24/607046124.db2.gz XZPIXNWZMVEDBN-HNNXBMFYSA-N 0 3 392.511 2.647 20 10 GFCDHN CC(C)NS(=O)(=O)CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000823818680 660380754 /nfs/dbraw/zinc/38/07/54/660380754.db2.gz OBLCYEHEOJPBJS-UHFFFAOYSA-N 0 3 381.567 2.802 20 10 GFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000745823874 655755313 /nfs/dbraw/zinc/75/53/13/655755313.db2.gz UMGCKXDYBKOZEI-AWEZNQCLSA-N 0 3 382.302 2.923 20 10 GFCDHN CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756410554 655899420 /nfs/dbraw/zinc/89/94/20/655899420.db2.gz HJQTXMKCLWWPHE-OLZOCXBDSA-N 0 3 388.325 2.970 20 10 GFCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c2c1c(F)ccc2[O-] ZINC000756767285 655904877 /nfs/dbraw/zinc/90/48/77/655904877.db2.gz FLNSZGDECSKSRQ-WZRBSPASSA-N 0 3 385.482 2.566 20 10 GFCDHN O=C(C[NH2+]Cc1ccccc1[O-])Nc1ccc(I)cc1 ZINC000790611223 658002463 /nfs/dbraw/zinc/00/24/63/658002463.db2.gz VJZDNUOCCXOTQO-UHFFFAOYSA-N 0 3 382.201 2.725 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1[O-] ZINC000808444234 659894507 /nfs/dbraw/zinc/89/45/07/659894507.db2.gz LROLUJQINNUQTJ-DAXOMENPSA-N 0 3 397.313 2.900 20 10 GFCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1[O-] ZINC000808716047 659903776 /nfs/dbraw/zinc/90/37/76/659903776.db2.gz IKVNUQRDKBZFLN-CYBMUJFWSA-N 0 3 383.897 2.971 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1[O-] ZINC000816667193 660164680 /nfs/dbraw/zinc/16/46/80/660164680.db2.gz GIQSLCVHFHBERQ-DLBZAZTESA-N 0 3 386.286 2.573 20 10 GFCDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848533399 661662136 /nfs/dbraw/zinc/66/21/36/661662136.db2.gz HMEAWMLRQUEXTH-ZJUUUORDSA-N 0 3 380.304 2.637 20 10 GFCDHN COCCn1cc(CN[C@@H](C)c2cc(Br)cc(OC)c2O)cn1 ZINC000848548966 661663548 /nfs/dbraw/zinc/66/35/48/661663548.db2.gz MWAMEKMFCGRBOM-NSHDSACASA-N 0 3 384.274 2.857 20 10 GFCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)c1cc(Br)no1)C[C@@H]1CCCO1 ZINC000878240978 662892224 /nfs/dbraw/zinc/89/22/24/662892224.db2.gz OPCKBVKRZJJNEJ-ZFWWWQNUSA-N 0 3 397.269 2.857 20 10 GFCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)c1cc(Br)no1)C[C@@H]1CCCO1 ZINC000878240978 662892226 /nfs/dbraw/zinc/89/22/26/662892226.db2.gz OPCKBVKRZJJNEJ-ZFWWWQNUSA-N 0 3 397.269 2.857 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000370080883 563232436 /nfs/dbraw/zinc/23/24/36/563232436.db2.gz HLQMWBCZFQLHEW-UHFFFAOYSA-N 0 3 393.285 2.712 20 10 GFCDHN CCCNC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092733837 655015199 /nfs/dbraw/zinc/01/51/99/655015199.db2.gz LUDWRKXVYHTNDC-GFCCVEGCSA-N 0 3 385.302 2.902 20 10 GFCDHN CCCNC(=O)[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000092733838 655015284 /nfs/dbraw/zinc/01/52/84/655015284.db2.gz LUDWRKXVYHTNDC-LBPRGKRZSA-N 0 3 385.302 2.902 20 10 GFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275127367 655218357 /nfs/dbraw/zinc/21/83/57/655218357.db2.gz JKNLBUFOGQBALG-SNVBAGLBSA-N 0 3 395.219 2.964 20 10 GFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275127367 655218362 /nfs/dbraw/zinc/21/83/62/655218362.db2.gz JKNLBUFOGQBALG-SNVBAGLBSA-N 0 3 395.219 2.964 20 10 GFCDHN Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]Cc2ccccc2[O-])c1 ZINC000796529682 658922373 /nfs/dbraw/zinc/92/23/73/658922373.db2.gz QISSRVPRSOHSBN-UHFFFAOYSA-N 0 3 399.310 2.531 20 10 GFCDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000843432723 661381442 /nfs/dbraw/zinc/38/14/42/661381442.db2.gz OKFUOIVLFQMIHH-CQSZACIVSA-N 0 3 395.219 2.964 20 10 GFCDHN COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848524780 661661407 /nfs/dbraw/zinc/66/14/07/661661407.db2.gz MGMJWKCPLJJNGE-GXTWGEPZSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000848533860 661662189 /nfs/dbraw/zinc/66/21/89/661662189.db2.gz NXFGUXMAVDKYTJ-JTQLQIEISA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000848548560 661662880 /nfs/dbraw/zinc/66/28/80/661662880.db2.gz HWYOGGGKWFIUFK-NVBFEUDRSA-N 0 3 390.318 2.972 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1[O-] ZINC000848543851 661662983 /nfs/dbraw/zinc/66/29/83/661662983.db2.gz HSXBUQQCFQEWLU-CMPLNLGQSA-N 0 3 392.315 2.781 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000848548561 661663137 /nfs/dbraw/zinc/66/31/37/661663137.db2.gz HWYOGGGKWFIUFK-WBIUFABUSA-N 0 3 390.318 2.972 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2Br)N(C)C)cc1 ZINC000891252787 663332047 /nfs/dbraw/zinc/33/20/47/663332047.db2.gz NRHBNYADWNZTAD-MRXNPFEDSA-N 0 3 391.313 2.943 20 10 GFCDHN COc1cccc([C@H](C)N[C@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000903326486 663782160 /nfs/dbraw/zinc/78/21/60/663782160.db2.gz QSTSCWFBYYKXDO-ZANVPECISA-N 0 3 392.253 2.772 20 10 GFCDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000328650600 206238196 /nfs/dbraw/zinc/23/81/96/206238196.db2.gz VOKUNWKVTUHQLY-CTNGQTDRSA-N 0 3 383.496 2.689 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1[O-] ZINC000184711237 552342783 /nfs/dbraw/zinc/34/27/83/552342783.db2.gz BPXNNVZNOKUAQO-UHFFFAOYSA-N 0 3 390.933 2.594 20 10 GFCDHN CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736534964 598618625 /nfs/dbraw/zinc/61/86/25/598618625.db2.gz TYGGFEHPOJSOPE-OAHLLOKOSA-N 0 3 395.511 2.734 20 10 GFCDHN CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821198880 606883415 /nfs/dbraw/zinc/88/34/15/606883415.db2.gz XIOOOGWKAOZWRP-FQEVSTJZSA-N 0 3 380.496 2.878 20 10 GFCDHN CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821198880 606883416 /nfs/dbraw/zinc/88/34/16/606883416.db2.gz XIOOOGWKAOZWRP-FQEVSTJZSA-N 0 3 380.496 2.878 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1[O-] ZINC000276999951 655297521 /nfs/dbraw/zinc/29/75/21/655297521.db2.gz IDBBZHZLQANGGK-UHFFFAOYSA-N 0 3 390.933 2.737 20 10 GFCDHN CN1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])(N2CCOCC2)CC1 ZINC000840955680 661219758 /nfs/dbraw/zinc/21/97/58/661219758.db2.gz URZPNKFUZLWARH-UHFFFAOYSA-N 0 3 388.339 2.585 20 10 GFCDHN COc1cc(Br)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000763626867 656088734 /nfs/dbraw/zinc/08/87/34/656088734.db2.gz PUVIZIOSCIEVCV-UHFFFAOYSA-N 0 3 385.302 2.902 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000763626867 656088736 /nfs/dbraw/zinc/08/87/36/656088736.db2.gz PUVIZIOSCIEVCV-UHFFFAOYSA-N 0 3 385.302 2.902 20 10 GFCDHN CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000790760690 658019638 /nfs/dbraw/zinc/01/96/38/658019638.db2.gz PEWBAHNOAVOWLR-JSGCOSHPSA-N 0 3 376.291 2.528 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000848546190 661663071 /nfs/dbraw/zinc/66/30/71/661663071.db2.gz USOLVPIYVHWDCS-IAQYHMDHSA-N 0 3 388.302 2.992 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCCN2CCO)c1[O-] ZINC000848554644 661664330 /nfs/dbraw/zinc/66/43/30/661664330.db2.gz YQMPOCMIPZVEFO-GXTWGEPZSA-N 0 3 387.318 2.661 20 10 GFCDHN CS[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1N1CCCC1 ZINC000897377419 663603555 /nfs/dbraw/zinc/60/35/55/663603555.db2.gz NVPGRPYMSYXCQO-PXAZEXFGSA-N 0 3 378.519 2.964 20 10 GFCDHN CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1[O-] ZINC000155794569 551507624 /nfs/dbraw/zinc/50/76/24/551507624.db2.gz QWVNVOAEOGGYDG-AWEZNQCLSA-N 0 3 380.432 2.995 20 10 GFCDHN C[C@@H](Cn1cc(Br)cn1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165184643 551628887 /nfs/dbraw/zinc/62/88/87/551628887.db2.gz CXQGWIWPXQRRMC-ZDUSSCGKSA-N 0 3 397.292 2.800 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000367467777 563845786 /nfs/dbraw/zinc/84/57/86/563845786.db2.gz VWGKDLGKIPXHLK-CVEARBPZSA-N 0 3 399.329 2.584 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000367467777 563845789 /nfs/dbraw/zinc/84/57/89/563845789.db2.gz VWGKDLGKIPXHLK-CVEARBPZSA-N 0 3 399.329 2.584 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000827687678 660509097 /nfs/dbraw/zinc/50/90/97/660509097.db2.gz STDKDWRLHWESQA-LBPRGKRZSA-N 0 3 385.302 2.900 20 10 GFCDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000806174023 659826785 /nfs/dbraw/zinc/82/67/85/659826785.db2.gz QMRYXAJNKVSTPK-HUUCEWRRSA-N 0 3 386.945 2.652 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1[O-] ZINC000848527383 661661663 /nfs/dbraw/zinc/66/16/63/661661663.db2.gz AMQRMPWEOLQLKK-OLZOCXBDSA-N 0 3 387.318 2.782 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCSCC2)c1[O-] ZINC000848531947 661661892 /nfs/dbraw/zinc/66/18/92/661661892.db2.gz XXOPVNNVPOLSKV-NSHDSACASA-N 0 3 375.332 2.863 20 10 GFCDHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000848535167 661662340 /nfs/dbraw/zinc/66/23/40/661662340.db2.gz DULKATYYDUCDCU-ZYHUDNBSSA-N 0 3 386.290 2.618 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1[O-] ZINC000848555266 661664179 /nfs/dbraw/zinc/66/41/79/661664179.db2.gz NMPRKXVLKZVLJF-DIFFPNOSSA-N 0 3 388.302 2.992 20 10 GFCDHN COc1cc(Br)cc(CN[C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850353115 661771559 /nfs/dbraw/zinc/77/15/59/661771559.db2.gz STEYOVVOYMJQTE-AWEZNQCLSA-N 0 3 391.265 2.841 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1[O-] ZINC000850356757 661772043 /nfs/dbraw/zinc/77/20/43/661772043.db2.gz RTAMPVKAKDCBPV-SQHYZVFZSA-N 0 3 376.316 2.943 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)N[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602673 662115902 /nfs/dbraw/zinc/11/59/02/662115902.db2.gz GFVBFNLHKJUILJ-QMTHXVAHSA-N 0 3 383.286 2.967 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602673 662115904 /nfs/dbraw/zinc/11/59/04/662115904.db2.gz GFVBFNLHKJUILJ-QMTHXVAHSA-N 0 3 383.286 2.967 20 10 GFCDHN [O-]c1c(F)cc(Br)cc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000895192724 663502496 /nfs/dbraw/zinc/50/24/96/663502496.db2.gz KOFAHOLGZWPXDY-HNNXBMFYSA-N 0 3 387.293 2.981 20 10 GFCDHN CC1(N2CCOCC2)CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895402135 663511853 /nfs/dbraw/zinc/51/18/53/663511853.db2.gz JQOARGIOZJCJDN-UHFFFAOYSA-N 0 3 387.293 2.981 20 10 GFCDHN CC1([NH+]2CCOCC2)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895402135 663511857 /nfs/dbraw/zinc/51/18/57/663511857.db2.gz JQOARGIOZJCJDN-UHFFFAOYSA-N 0 3 387.293 2.981 20 10 GFCDHN COc1cccc([C@H](C)N[C@@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000903326485 663782145 /nfs/dbraw/zinc/78/21/45/663782145.db2.gz QSTSCWFBYYKXDO-TVQRCGJNSA-N 0 3 392.253 2.772 20 10 GFCDHN COc1cc(Br)cc([C@H](C)NCc2cnc3n2CCOC3)c1O ZINC000903420698 663784258 /nfs/dbraw/zinc/78/42/58/663784258.db2.gz QBPVLIUMYIGBJX-JTQLQIEISA-N 0 3 382.258 2.741 20 10 GFCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000294794056 563216862 /nfs/dbraw/zinc/21/68/62/563216862.db2.gz OOGAUVIDMSHUGA-LBPRGKRZSA-N 0 3 380.432 2.974 20 10 GFCDHN CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1[O-] ZINC000775501177 656644188 /nfs/dbraw/zinc/64/41/88/656644188.db2.gz CHPCDLGWAKICHP-CJNGLKHVSA-N 0 3 398.345 2.783 20 10 GFCDHN C[NH+]1CCN(C(C)(C)CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000806361970 659830488 /nfs/dbraw/zinc/83/04/88/659830488.db2.gz OYMIOMIFKDMZTK-UHFFFAOYSA-N 0 3 389.327 2.524 20 10 GFCDHN COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848525065 661661431 /nfs/dbraw/zinc/66/14/31/661661431.db2.gz MGMJWKCPLJJNGE-TZMCWYRMSA-N 0 3 387.318 2.925 20 10 GFCDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848533395 661661828 /nfs/dbraw/zinc/66/18/28/661661828.db2.gz HMEAWMLRQUEXTH-UWVGGRQHSA-N 0 3 380.304 2.637 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1[O-] ZINC000848534907 661662366 /nfs/dbraw/zinc/66/23/66/661662366.db2.gz WDCBKGJORDMZPC-IQOUGMIPSA-N 0 3 383.286 2.823 20 10 GFCDHN COc1cc(CNCCS(=O)(=O)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850365765 661772845 /nfs/dbraw/zinc/77/28/45/661772845.db2.gz NXFJVQCSYGXMMO-UHFFFAOYSA-N 0 3 383.432 2.765 20 10 GFCDHN C[C@@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000883306916 663053290 /nfs/dbraw/zinc/05/32/90/663053290.db2.gz IBLYXUDFQGDLNN-ZBFHGGJFSA-N 0 3 386.945 2.795 20 10 GFCDHN COc1cc(Br)cc(CN2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC000895721807 663525641 /nfs/dbraw/zinc/52/56/41/663525641.db2.gz JZQRBNMAEKETDR-AWEZNQCLSA-N 0 3 386.286 2.527 20 10 GFCDHN COc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1[O-] ZINC000131049445 551371533 /nfs/dbraw/zinc/37/15/33/551371533.db2.gz PSBNEVNWNGEPAQ-CYBMUJFWSA-N 0 3 382.254 2.693 20 10 GFCDHN CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736534960 598618653 /nfs/dbraw/zinc/61/86/53/598618653.db2.gz TYGGFEHPOJSOPE-HNNXBMFYSA-N 0 3 395.511 2.734 20 10 GFCDHN COc1ccc(N2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3OC)CC2)cc1 ZINC000826209298 608355697 /nfs/dbraw/zinc/35/56/97/608355697.db2.gz VVLPXKFYXXIRSI-UHFFFAOYSA-N 0 3 394.479 2.596 20 10 GFCDHN COc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3OC)CC2)cc1 ZINC000826209298 608355699 /nfs/dbraw/zinc/35/56/99/608355699.db2.gz VVLPXKFYXXIRSI-UHFFFAOYSA-N 0 3 394.479 2.596 20 10 GFCDHN CCN(CC)C(=O)CN1CCCN(Cc2ccc(Br)cc2O)CC1 ZINC000824555662 660396833 /nfs/dbraw/zinc/39/68/33/660396833.db2.gz HQIGJHATDGPQDL-UHFFFAOYSA-N 0 3 398.345 2.531 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c1[O-] ZINC000825327663 660420803 /nfs/dbraw/zinc/42/08/03/660420803.db2.gz UEGHXMUCUIMARX-HIFRSBDPSA-N 0 3 396.285 2.907 20 10 GFCDHN COc1cc(Br)cc(CN2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000827633844 660506109 /nfs/dbraw/zinc/50/61/09/660506109.db2.gz CSRLXMIAAVBICC-LBPRGKRZSA-N 0 3 383.286 2.608 20 10 GFCDHN COCCOCCOCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000276200455 655267147 /nfs/dbraw/zinc/26/71/47/655267147.db2.gz NNXGVSIIJZYSOC-UHFFFAOYSA-N 0 3 376.291 2.575 20 10 GFCDHN COCCOCCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000276200455 655267150 /nfs/dbraw/zinc/26/71/50/655267150.db2.gz NNXGVSIIJZYSOC-UHFFFAOYSA-N 0 3 376.291 2.575 20 10 GFCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000765261134 656138992 /nfs/dbraw/zinc/13/89/92/656138992.db2.gz MTNWWRHLMNXXQQ-LBPRGKRZSA-N 0 3 382.254 2.693 20 10 GFCDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Br)cc(F)c1[O-] ZINC000799726747 659217159 /nfs/dbraw/zinc/21/71/59/659217159.db2.gz RSAZKRGCAKJKON-LBPRGKRZSA-N 0 3 388.325 2.970 20 10 GFCDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Br)cc(F)c1[O-] ZINC000799726745 659217560 /nfs/dbraw/zinc/21/75/60/659217560.db2.gz RSAZKRGCAKJKON-GFCCVEGCSA-N 0 3 388.325 2.970 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCC(O)CC2)c1[O-] ZINC000848523442 661660980 /nfs/dbraw/zinc/66/09/80/661660980.db2.gz FMNDFJUYPJOQJA-LBPRGKRZSA-N 0 3 387.318 2.661 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)NCc2ccc(C(N)=O)nc2)c1O ZINC000848533850 661661804 /nfs/dbraw/zinc/66/18/04/661661804.db2.gz VYWBHIBQMNDWGS-SECBINFHSA-N 0 3 380.242 2.508 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)NCCS(=O)(=O)C(C)C)c1O ZINC000848550617 661663805 /nfs/dbraw/zinc/66/38/05/661663805.db2.gz SALWYNKWFSXFMS-SNVBAGLBSA-N 0 3 380.304 2.637 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000848553273 661664212 /nfs/dbraw/zinc/66/42/12/661664212.db2.gz SEOPNDJGJJDRIG-SUHUHFCYSA-N 0 3 383.286 2.967 20 10 GFCDHN C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cc(F)ccc1[O-] ZINC000850492571 661778956 /nfs/dbraw/zinc/77/89/56/661778956.db2.gz FAKJJGLNNNFWQY-JTQLQIEISA-N 0 3 382.233 2.769 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000877808377 662884620 /nfs/dbraw/zinc/88/46/20/662884620.db2.gz KBITXEZSFICXOL-PHTAMDTFSA-N 0 3 388.327 2.909 20 10 GFCDHN CCOc1cccc(CN[C@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897978942 663628701 /nfs/dbraw/zinc/62/87/01/663628701.db2.gz ULDRCXUCJWLTSM-ZDUSSCGKSA-N 0 3 392.253 2.601 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000367967877 563860984 /nfs/dbraw/zinc/86/09/84/563860984.db2.gz JUNBCVTWEHANFV-SUMWQHHRSA-N 0 3 380.238 2.748 20 10 GFCDHN COc1cc(Br)cc(CN2CCC(C)(N3CCOCC3)CC2)c1O ZINC000529663321 564845837 /nfs/dbraw/zinc/84/58/37/564845837.db2.gz JQKGQDAZVWLBHR-UHFFFAOYSA-N 0 3 399.329 2.850 20 10 GFCDHN COc1cc(O)c(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1OC ZINC000277388725 655316367 /nfs/dbraw/zinc/31/63/67/655316367.db2.gz GFJOQGHMDPBIFT-UHFFFAOYSA-N 0 3 385.869 2.756 20 10 GFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@]12CCCO2 ZINC000759175934 655950086 /nfs/dbraw/zinc/95/00/86/655950086.db2.gz GPZIOECTDFNAJS-ZMSDIMECSA-N 0 3 386.286 2.980 20 10 GFCDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773037206 656397445 /nfs/dbraw/zinc/39/74/45/656397445.db2.gz GLWCCYPLMFQYFY-CQSZACIVSA-N 0 3 386.945 2.652 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c1[O-] ZINC000779030332 656897646 /nfs/dbraw/zinc/89/76/46/656897646.db2.gz ROAOAXZYNRYNHH-LBPRGKRZSA-N 0 3 391.331 2.539 20 10 GFCDHN Cc1cc(C(=O)N(C)CCN(C)C)c(C)n1-c1ccc(Br)cn1 ZINC000843813696 661393320 /nfs/dbraw/zinc/39/33/20/661393320.db2.gz OQOJXQXZTWRLBK-UHFFFAOYSA-N 0 3 379.302 2.885 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)c1[O-] ZINC000848534468 661662384 /nfs/dbraw/zinc/66/23/84/661662384.db2.gz ZYOXQNKPEVNJIO-UWVGGRQHSA-N 0 3 380.304 2.637 20 10 GFCDHN CN(C)c1ccc([C@H](CNC(=O)c2c(Cl)nn(C)c2Cl)N(C)C)cc1 ZINC000891245906 663331690 /nfs/dbraw/zinc/33/16/90/663331690.db2.gz KDARVMCIVDQGHD-ZDUSSCGKSA-N 0 3 384.311 2.826 20 10 GFCDHN COc1cc(Cl)cc(CN2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1O ZINC000898400378 663648687 /nfs/dbraw/zinc/64/86/87/663648687.db2.gz YUKPQESWJKLFMX-VWLOTQADSA-N 0 3 389.949 2.841 20 10 GFCDHN Cc1cc(Br)cc(CN2CCC(N3CCCNC3=O)CC2)c1O ZINC000180465883 552227011 /nfs/dbraw/zinc/22/70/11/552227011.db2.gz DVFUSSXTTLMJJG-UHFFFAOYSA-N 0 3 382.302 2.843 20 10 GFCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])CC2 ZINC000187367535 552413704 /nfs/dbraw/zinc/41/37/04/552413704.db2.gz ORPCWXATMIICIR-AAEUAGOBSA-N 0 3 395.301 2.867 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H](c3ccnc(N)n3)C2)c1O ZINC000377724252 563484147 /nfs/dbraw/zinc/48/41/47/563484147.db2.gz PWMBDHXFLQTRPV-LLVKDONJSA-N 0 3 393.285 2.745 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000289814466 563687005 /nfs/dbraw/zinc/68/70/05/563687005.db2.gz SYSKZJPZQWQPMX-UHFFFAOYSA-N 0 3 376.316 2.910 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)c1[O-] ZINC000366351354 563806178 /nfs/dbraw/zinc/80/61/78/563806178.db2.gz XQNPCOVGPYKDCP-GJZGRUSLSA-N 0 3 395.276 2.960 20 10 GFCDHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000638536430 565200289 /nfs/dbraw/zinc/20/02/89/565200289.db2.gz MGNACQGWOXYGBW-LLVKDONJSA-N 0 3 387.281 2.941 20 10 GFCDHN CN(C)c1ccc(C[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000821589392 606855698 /nfs/dbraw/zinc/85/56/98/606855698.db2.gz LVGXOXZSRRFCRM-HXUWFJFHSA-N 0 3 378.480 2.631 20 10 GFCDHN CN(C)c1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000821589392 606855699 /nfs/dbraw/zinc/85/56/99/606855699.db2.gz LVGXOXZSRRFCRM-HXUWFJFHSA-N 0 3 378.480 2.631 20 10 GFCDHN CN(C)c1ccc(C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000821589392 606855701 /nfs/dbraw/zinc/85/57/01/606855701.db2.gz LVGXOXZSRRFCRM-HXUWFJFHSA-N 0 3 378.480 2.631 20 10 GFCDHN CN(C)c1ccc(C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000821589392 606855703 /nfs/dbraw/zinc/85/57/03/606855703.db2.gz LVGXOXZSRRFCRM-HXUWFJFHSA-N 0 3 378.480 2.631 20 10 GFCDHN CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821198882 606883335 /nfs/dbraw/zinc/88/33/35/606883335.db2.gz XIOOOGWKAOZWRP-HXUWFJFHSA-N 0 3 380.496 2.878 20 10 GFCDHN CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821198882 606883337 /nfs/dbraw/zinc/88/33/37/606883337.db2.gz XIOOOGWKAOZWRP-HXUWFJFHSA-N 0 3 380.496 2.878 20 10 GFCDHN COCC(C)(C)N1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000822497680 660346788 /nfs/dbraw/zinc/34/67/88/660346788.db2.gz JBFJOTJRLGPIEW-UHFFFAOYSA-N 0 3 387.318 2.706 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CCNC(=O)c2ccc(F)cc2)c1[O-] ZINC000731452799 655583693 /nfs/dbraw/zinc/58/36/93/655583693.db2.gz NUANQEQSGFRZMP-UHFFFAOYSA-N 0 3 397.244 2.822 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1[O-] ZINC000808444235 659894469 /nfs/dbraw/zinc/89/44/69/659894469.db2.gz LROLUJQINNUQTJ-UHOFOFEASA-N 0 3 397.313 2.900 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1[O-] ZINC000848547364 661663018 /nfs/dbraw/zinc/66/30/18/661663018.db2.gz OEYYDWPSJXOYFM-GFCCVEGCSA-N 0 3 385.302 2.679 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000848546191 661663217 /nfs/dbraw/zinc/66/32/17/661663217.db2.gz USOLVPIYVHWDCS-NHYWBVRUSA-N 0 3 388.302 2.992 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1[O-] ZINC000898058942 663631627 /nfs/dbraw/zinc/63/16/27/663631627.db2.gz ULXUAGJYPJNRPN-QGZVFWFLSA-N 0 3 396.285 2.692 20 10 GFCDHN CCN(C)c1ccc([C@@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181641004 552263731 /nfs/dbraw/zinc/26/37/31/552263731.db2.gz GOUSETBCKSTCCD-PBHICJAKSA-N 0 3 382.551 2.690 20 10 GFCDHN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCN1C1CCCC1 ZINC000528295213 564775977 /nfs/dbraw/zinc/77/59/77/564775977.db2.gz MMLFXWYJDUWEPN-OAHLLOKOSA-N 0 3 382.302 2.971 20 10 GFCDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1cccc(Br)c1 ZINC000818011875 660213365 /nfs/dbraw/zinc/21/33/65/660213365.db2.gz NZALBQQSVCPMEE-INIZCTEOSA-N 0 3 392.297 2.575 20 10 GFCDHN COc1cc(O)c(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000271965297 655099520 /nfs/dbraw/zinc/09/95/20/655099520.db2.gz ZVRNCUVSXVZXAS-UHFFFAOYSA-N 0 3 385.869 2.626 20 10 GFCDHN CN(C)CCN(Cc1ccccn1)C(=O)NCCCSc1nccs1 ZINC000759589509 655957830 /nfs/dbraw/zinc/95/78/30/655957830.db2.gz ACHPQOQMNZUQMF-UHFFFAOYSA-N 0 3 379.555 2.794 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1[O-] ZINC000808444233 659894520 /nfs/dbraw/zinc/89/45/20/659894520.db2.gz LROLUJQINNUQTJ-APHBMKBZSA-N 0 3 397.313 2.900 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1[O-] ZINC000848512997 661660178 /nfs/dbraw/zinc/66/01/78/661660178.db2.gz CGIXBUAEZDFMIL-GFCCVEGCSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000848548557 661663199 /nfs/dbraw/zinc/66/31/99/661663199.db2.gz HWYOGGGKWFIUFK-ITDIGPHOSA-N 0 3 390.318 2.972 20 10 GFCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CCCO1 ZINC000878240975 662892234 /nfs/dbraw/zinc/89/22/34/662892234.db2.gz OPCKBVKRZJJNEJ-DZGCQCFKSA-N 0 3 397.269 2.857 20 10 GFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CCCO1 ZINC000878240975 662892236 /nfs/dbraw/zinc/89/22/36/662892236.db2.gz OPCKBVKRZJJNEJ-DZGCQCFKSA-N 0 3 397.269 2.857 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c1[O-] ZINC000883309020 663053390 /nfs/dbraw/zinc/05/33/90/663053390.db2.gz CNMHOOMXIMJQOI-ZYHUDNBSSA-N 0 3 392.315 2.781 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896394805 663555275 /nfs/dbraw/zinc/55/52/75/663555275.db2.gz FXZBPTTXXVVTKE-SJKOYZFVSA-N 0 3 399.285 2.874 20 10 GFCDHN CCc1cccc(CN[C@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897978219 663628385 /nfs/dbraw/zinc/62/83/85/663628385.db2.gz MTBCOBWPIKEDMT-AWEZNQCLSA-N 0 3 376.254 2.765 20 10 GFCDHN CCOc1cccc(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897978941 663628617 /nfs/dbraw/zinc/62/86/17/663628617.db2.gz ULDRCXUCJWLTSM-CYBMUJFWSA-N 0 3 392.253 2.601 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000922807588 664615047 /nfs/dbraw/zinc/61/50/47/664615047.db2.gz CRRXSJBYPFZMFS-AWEZNQCLSA-N 0 3 386.286 2.981 20 10 GFCDHN COc1cc(Br)cc(CN2CCC(Cn3cncn3)CC2)c1O ZINC000189971603 552483769 /nfs/dbraw/zinc/48/37/69/552483769.db2.gz GJZDXDDXRFQDII-UHFFFAOYSA-N 0 3 381.274 2.667 20 10 GFCDHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1ccccc1O ZINC000295200948 563234663 /nfs/dbraw/zinc/23/46/63/563234663.db2.gz PBGKBNRBHIXPTF-GFCCVEGCSA-N 0 3 393.281 2.958 20 10 GFCDHN COc1cc([O-])c(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1OC ZINC000283112337 563436016 /nfs/dbraw/zinc/43/60/16/563436016.db2.gz UOUGCMUWEQBOSB-OAHLLOKOSA-N 0 3 382.254 2.995 20 10 GFCDHN CN1CCN([C@@H]2CCCC[N@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000377617604 563481114 /nfs/dbraw/zinc/48/11/14/563481114.db2.gz AMZKKLOZBKVNMT-QGZVFWFLSA-N 0 3 382.346 2.757 20 10 GFCDHN CN1CCN([C@@H]2CCCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000377617604 563481116 /nfs/dbraw/zinc/48/11/16/563481116.db2.gz AMZKKLOZBKVNMT-QGZVFWFLSA-N 0 3 382.346 2.757 20 10 GFCDHN COc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1-c1nnn[n-]1 ZINC000821818008 599407340 /nfs/dbraw/zinc/40/73/40/599407340.db2.gz HHICXQYNVXCKCF-UHFFFAOYSA-N 0 3 396.520 2.718 20 10 GFCDHN COc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1-c1nn[n-]n1 ZINC000821818008 599407343 /nfs/dbraw/zinc/40/73/43/599407343.db2.gz HHICXQYNVXCKCF-UHFFFAOYSA-N 0 3 396.520 2.718 20 10 GFCDHN Oc1ccccc1C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H]1CCCO1 ZINC000823732018 606973926 /nfs/dbraw/zinc/97/39/26/606973926.db2.gz IJYMDCFLTVTLMN-MRXNPFEDSA-N 0 3 383.427 2.893 20 10 GFCDHN Oc1ccccc1C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H]1CCCO1 ZINC000823732018 606973928 /nfs/dbraw/zinc/97/39/28/606973928.db2.gz IJYMDCFLTVTLMN-MRXNPFEDSA-N 0 3 383.427 2.893 20 10 GFCDHN c1cc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc2c1OCC2 ZINC000826518584 608571051 /nfs/dbraw/zinc/57/10/51/608571051.db2.gz SFXNQQLLIFDHPY-UHFFFAOYSA-N 0 3 392.463 2.676 20 10 GFCDHN c1cc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc2c1OCC2 ZINC000826518584 608571052 /nfs/dbraw/zinc/57/10/52/608571052.db2.gz SFXNQQLLIFDHPY-UHFFFAOYSA-N 0 3 392.463 2.676 20 10 GFCDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756459465 655900283 /nfs/dbraw/zinc/90/02/83/655900283.db2.gz ONXDBHBPTZKZMY-JQWIXIFHSA-N 0 3 377.710 2.915 20 10 GFCDHN COc1cc(Cl)cc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000761183622 656002502 /nfs/dbraw/zinc/00/25/02/656002502.db2.gz OKSKYOLKCFIDPN-NSHDSACASA-N 0 3 384.885 2.895 20 10 GFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(n3cc(Br)cn3)CC1)[C@H](O)CO2 ZINC000768452811 656239225 /nfs/dbraw/zinc/23/92/25/656239225.db2.gz SQTKAACTFVNOPI-MRXNPFEDSA-N 0 3 394.269 2.614 20 10 GFCDHN C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1cc(F)ccc1[O-] ZINC000800989971 659362226 /nfs/dbraw/zinc/36/22/26/659362226.db2.gz LXLHYUJRQFWWCG-SNVBAGLBSA-N 0 3 390.839 2.953 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1[O-] ZINC000848555268 661664071 /nfs/dbraw/zinc/66/40/71/661664071.db2.gz NMPRKXVLKZVLJF-PIGZYNQJSA-N 0 3 388.302 2.992 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000848555407 661664681 /nfs/dbraw/zinc/66/46/81/661664681.db2.gz AQEPZXHAZUAPQP-MNOVXSKESA-N 0 3 383.286 2.825 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1[O-] ZINC000850356759 661772026 /nfs/dbraw/zinc/77/20/26/661772026.db2.gz RTAMPVKAKDCBPV-ZNLKAECVSA-N 0 3 376.316 2.943 20 10 GFCDHN COc1ccc(N2CC[C@H](CNCc3cn(C)nc3Br)C2)cc1 ZINC000858182873 662103543 /nfs/dbraw/zinc/10/35/43/662103543.db2.gz LDEHMNGNYFKYPE-CYBMUJFWSA-N 0 3 379.302 2.807 20 10 GFCDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000882985348 663045931 /nfs/dbraw/zinc/04/59/31/663045931.db2.gz TVEFIENQMVTECP-OLZOCXBDSA-N 0 3 375.694 2.761 20 10 GFCDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000882985348 663045933 /nfs/dbraw/zinc/04/59/33/663045933.db2.gz TVEFIENQMVTECP-OLZOCXBDSA-N 0 3 375.694 2.761 20 10 GFCDHN Cc1nn(C)c(CNCc2ccc(N3CCN(C)CC3)cc2)c1Br ZINC000883283573 663052251 /nfs/dbraw/zinc/05/22/51/663052251.db2.gz KKEZLVQPAQVEMX-UHFFFAOYSA-N 0 3 392.345 2.533 20 10 GFCDHN CCc1cccc(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897978220 663628418 /nfs/dbraw/zinc/62/84/18/663628418.db2.gz MTBCOBWPIKEDMT-CQSZACIVSA-N 0 3 376.254 2.765 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1[O-] ZINC000898056760 663631632 /nfs/dbraw/zinc/63/16/32/663631632.db2.gz NLMLORLITYLJQI-QGZVFWFLSA-N 0 3 380.286 2.992 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1[O-] ZINC000187159046 552408534 /nfs/dbraw/zinc/40/85/34/552408534.db2.gz FCXFIGCLHXWYGK-UKRRQHHQSA-N 0 3 384.362 2.997 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000360813305 563695013 /nfs/dbraw/zinc/69/50/13/563695013.db2.gz XSGYZKUCAIRJAR-SMDDNHRTSA-N 0 3 383.286 2.654 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000360813305 563695014 /nfs/dbraw/zinc/69/50/14/563695014.db2.gz XSGYZKUCAIRJAR-SMDDNHRTSA-N 0 3 383.286 2.654 20 10 GFCDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(Br)ccc1[O-] ZINC000368328023 563868373 /nfs/dbraw/zinc/86/83/73/563868373.db2.gz NQFNVQSGNCKRJD-UKRRQHHQSA-N 0 3 382.346 2.974 20 10 GFCDHN Cc1cc(C(=O)N(C)CCCC[NH+](C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168178 606152370 /nfs/dbraw/zinc/15/23/70/606152370.db2.gz MEWPGEDGVAUEOC-UHFFFAOYSA-N 0 3 395.511 2.688 20 10 GFCDHN CN(C)c1ccc(C[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000821589391 606856074 /nfs/dbraw/zinc/85/60/74/606856074.db2.gz LVGXOXZSRRFCRM-FQEVSTJZSA-N 0 3 378.480 2.631 20 10 GFCDHN CN(C)c1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000821589391 606856075 /nfs/dbraw/zinc/85/60/75/606856075.db2.gz LVGXOXZSRRFCRM-FQEVSTJZSA-N 0 3 378.480 2.631 20 10 GFCDHN CN(C)c1ccc(C[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000821589391 606856076 /nfs/dbraw/zinc/85/60/76/606856076.db2.gz LVGXOXZSRRFCRM-FQEVSTJZSA-N 0 3 378.480 2.631 20 10 GFCDHN CN(C)c1ccc(C[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000821589391 606856077 /nfs/dbraw/zinc/85/60/77/606856077.db2.gz LVGXOXZSRRFCRM-FQEVSTJZSA-N 0 3 378.480 2.631 20 10 GFCDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1ccc(Br)cc1 ZINC000818011648 660213362 /nfs/dbraw/zinc/21/33/62/660213362.db2.gz KXBTTWYKHLNDNY-INIZCTEOSA-N 0 3 392.297 2.575 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1[O-] ZINC000825046674 660408328 /nfs/dbraw/zinc/40/83/28/660408328.db2.gz WSPZGURSPPLOHG-ZFWWWQNUSA-N 0 3 396.285 2.907 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1[O-] ZINC000825046668 660408547 /nfs/dbraw/zinc/40/85/47/660408547.db2.gz WSPZGURSPPLOHG-DZGCQCFKSA-N 0 3 396.285 2.907 20 10 GFCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702654933 655521638 /nfs/dbraw/zinc/52/16/38/655521638.db2.gz ZEUZTYUWFJHRSA-LJQANCHMSA-N 0 3 391.309 2.881 20 10 GFCDHN Cc1cc(NC(=O)CNCc2cc3c(cc2O)OCO3)ccc1Br ZINC000732230805 655593735 /nfs/dbraw/zinc/59/37/35/655593735.db2.gz ATWZQJSRVBRUFN-UHFFFAOYSA-N 0 3 393.237 2.920 20 10 GFCDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000799725082 659217448 /nfs/dbraw/zinc/21/74/48/659217448.db2.gz CVJURAWJSUSAMB-LBPRGKRZSA-N 0 3 388.325 2.970 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1[O-] ZINC000848512998 661660067 /nfs/dbraw/zinc/66/00/67/661660067.db2.gz CGIXBUAEZDFMIL-LBPRGKRZSA-N 0 3 387.318 2.925 20 10 GFCDHN COCCN1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848526949 661661396 /nfs/dbraw/zinc/66/13/96/661661396.db2.gz MQOHDNQHBUATAJ-LBPRGKRZSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1[O-] ZINC000848530727 661662197 /nfs/dbraw/zinc/66/21/97/661662197.db2.gz JWCHQCSGDIKPBO-GFCCVEGCSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c1[O-] ZINC000848554068 661664162 /nfs/dbraw/zinc/66/41/62/661664162.db2.gz QQAUVWKHJXBXSC-OCCSQVGLSA-N 0 3 387.318 2.661 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000848555406 661664248 /nfs/dbraw/zinc/66/42/48/661664248.db2.gz AQEPZXHAZUAPQP-GHMZBOCLSA-N 0 3 383.286 2.825 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848573480 661666009 /nfs/dbraw/zinc/66/60/09/661666009.db2.gz HFOQOMHQTUXTBW-CABZTGNLSA-N 0 3 385.258 2.797 20 10 GFCDHN C[C@@H](NCC[S@](=O)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850491097 661778968 /nfs/dbraw/zinc/77/89/68/661778968.db2.gz LDPFIZFVHGZMQA-YDBLSZJJSA-N 0 3 382.423 2.624 20 10 GFCDHN COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000853092633 661882148 /nfs/dbraw/zinc/88/21/48/661882148.db2.gz DYZQRFIRUKDFHE-CQSZACIVSA-N 0 3 382.254 2.995 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1[O-] ZINC000359973576 209209899 /nfs/dbraw/zinc/20/98/99/209209899.db2.gz LQQJZRHXFPQFBO-UHFFFAOYSA-N 0 3 390.867 2.955 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1[O-] ZINC000373954453 563357142 /nfs/dbraw/zinc/35/71/42/563357142.db2.gz DYDTZAZLUWFQTG-CQSZACIVSA-N 0 3 393.285 2.712 20 10 GFCDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824618230 609135219 /nfs/dbraw/zinc/13/52/19/609135219.db2.gz NLHDBNKVWKZIKC-AWEZNQCLSA-N 0 3 382.443 2.693 20 10 GFCDHN CN1C(=O)CC[C@H](NCc2ccc(N3CCCCC3)c(Br)c2)C1=O ZINC000818233700 660220444 /nfs/dbraw/zinc/22/04/44/660220444.db2.gz MNHHYAUXDNOBII-HNNXBMFYSA-N 0 3 394.313 2.676 20 10 GFCDHN CN(C)c1ccc(/C=C/CNCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000835042612 660839326 /nfs/dbraw/zinc/83/93/26/660839326.db2.gz WEHYOYKCZBCLGN-GQCTYLIASA-N 0 3 379.551 2.738 20 10 GFCDHN CC[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000181638054 655339447 /nfs/dbraw/zinc/33/94/47/655339447.db2.gz MGWCGZMMZJPGTK-DLBZAZTESA-N 0 3 382.551 2.690 20 10 GFCDHN CN(C)c1ccc(CNCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000800895573 659344508 /nfs/dbraw/zinc/34/45/08/659344508.db2.gz PTGRXILQNKIRHU-UHFFFAOYSA-N 0 3 385.892 2.613 20 10 GFCDHN COc1cc(Br)cc([C@H](C)NCCS(=O)(=O)CC2CC2)c1O ZINC000848535876 661662654 /nfs/dbraw/zinc/66/26/54/661662654.db2.gz LKHNRKURWAQZLH-JTQLQIEISA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000848550194 661663534 /nfs/dbraw/zinc/66/35/34/661663534.db2.gz FTLOOCVJEXGALC-UWVGGRQHSA-N 0 3 392.315 2.780 20 10 GFCDHN C[C@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000883306915 663053314 /nfs/dbraw/zinc/05/33/14/663053314.db2.gz IBLYXUDFQGDLNN-HOCLYGCPSA-N 0 3 386.945 2.795 20 10 GFCDHN CS[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1N1CCCC1 ZINC000897377421 663603546 /nfs/dbraw/zinc/60/35/46/663603546.db2.gz NVPGRPYMSYXCQO-SJKOYZFVSA-N 0 3 378.519 2.964 20 10 GFCDHN Cc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1[O-] ZINC000359893699 209199245 /nfs/dbraw/zinc/19/92/45/209199245.db2.gz CDHSKZSDTUIGNO-FQEVSTJZSA-N 0 3 382.460 2.621 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c1[O-] ZINC000187346515 552413400 /nfs/dbraw/zinc/41/34/00/552413400.db2.gz MPEPDARQMZYVNO-NHYWBVRUSA-N 0 3 393.285 2.653 20 10 GFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c([O-])c1 ZINC000284853453 563492796 /nfs/dbraw/zinc/49/27/96/563492796.db2.gz AEURXGIIQRCEHO-CYBMUJFWSA-N 0 3 376.469 2.924 20 10 GFCDHN Cc1cc(C)c(O)c(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826263724 607846554 /nfs/dbraw/zinc/84/65/54/607846554.db2.gz NPHDFIRLDZSBTC-UHFFFAOYSA-N 0 3 378.480 2.901 20 10 GFCDHN Cc1cc(C)c(O)c(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826263724 607846555 /nfs/dbraw/zinc/84/65/55/607846555.db2.gz NPHDFIRLDZSBTC-UHFFFAOYSA-N 0 3 378.480 2.901 20 10 GFCDHN Cc1cc(C)c(O)c(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826263724 607846556 /nfs/dbraw/zinc/84/65/56/607846556.db2.gz NPHDFIRLDZSBTC-UHFFFAOYSA-N 0 3 378.480 2.901 20 10 GFCDHN Cc1cc(C)c(O)c(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826263724 607846557 /nfs/dbraw/zinc/84/65/57/607846557.db2.gz NPHDFIRLDZSBTC-UHFFFAOYSA-N 0 3 378.480 2.901 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c1[O-] ZINC000825327661 660420762 /nfs/dbraw/zinc/42/07/62/660420762.db2.gz UEGHXMUCUIMARX-DZGCQCFKSA-N 0 3 396.285 2.907 20 10 GFCDHN NC(=O)c1csc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000132692155 654945746 /nfs/dbraw/zinc/94/57/46/654945746.db2.gz ISANMSKQHIHQRX-HNNXBMFYSA-N 0 3 379.913 2.960 20 10 GFCDHN Cc1cc(Cl)cc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000757958013 655920209 /nfs/dbraw/zinc/92/02/09/655920209.db2.gz QNQONKNCCMCDHM-UHFFFAOYSA-N 0 3 384.841 2.826 20 10 GFCDHN Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000757958013 655920211 /nfs/dbraw/zinc/92/02/11/655920211.db2.gz QNQONKNCCMCDHM-UHFFFAOYSA-N 0 3 384.841 2.826 20 10 GFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@@H]1n1cccn1 ZINC000815166351 660114986 /nfs/dbraw/zinc/11/49/86/660114986.db2.gz BNWBKSMNWFAAFR-LZWOXQAQSA-N 0 3 396.285 2.868 20 10 GFCDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cc(Br)cc(OC)c1O ZINC000848533394 661661993 /nfs/dbraw/zinc/66/19/93/661661993.db2.gz HMEAWMLRQUEXTH-NXEZZACHSA-N 0 3 380.304 2.637 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1[O-] ZINC000898366604 663644893 /nfs/dbraw/zinc/64/48/93/663644893.db2.gz DFPZOJPYHCTSLG-NSHDSACASA-N 0 3 385.251 2.572 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1[O-] ZINC000825046670 660408404 /nfs/dbraw/zinc/40/84/04/660408404.db2.gz WSPZGURSPPLOHG-HIFRSBDPSA-N 0 3 396.285 2.907 20 10 GFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275127360 655218286 /nfs/dbraw/zinc/21/82/86/655218286.db2.gz JKNLBUFOGQBALG-JTQLQIEISA-N 0 3 395.219 2.964 20 10 GFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275127360 655218289 /nfs/dbraw/zinc/21/82/89/655218289.db2.gz JKNLBUFOGQBALG-JTQLQIEISA-N 0 3 395.219 2.964 20 10 GFCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702654932 655521672 /nfs/dbraw/zinc/52/16/72/655521672.db2.gz ZEUZTYUWFJHRSA-IBGZPJMESA-N 0 3 391.309 2.881 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000754079184 655863333 /nfs/dbraw/zinc/86/33/33/655863333.db2.gz GNVIDTIGOUMIMJ-HOTGVXAUSA-N 0 3 396.281 2.738 20 10 GFCDHN CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756410553 655899438 /nfs/dbraw/zinc/89/94/38/655899438.db2.gz HJQTXMKCLWWPHE-CHWSQXEVSA-N 0 3 388.325 2.970 20 10 GFCDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756459466 655900227 /nfs/dbraw/zinc/90/02/27/655900227.db2.gz ONXDBHBPTZKZMY-PWSUYJOCSA-N 0 3 377.710 2.915 20 10 GFCDHN C[C@H]1CN(Cc2cccc(Br)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000769526418 656279435 /nfs/dbraw/zinc/27/94/35/656279435.db2.gz LFZKJFONHWAEQT-WMLDXEAASA-N 0 3 382.346 2.613 20 10 GFCDHN CSCC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)N(C)C ZINC000809784881 659939307 /nfs/dbraw/zinc/93/93/07/659939307.db2.gz PEUWBGKOOCSHEI-ZDUSSCGKSA-N 0 3 375.332 2.763 20 10 GFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@H]1n1cccn1 ZINC000815166352 660115005 /nfs/dbraw/zinc/11/50/05/660115005.db2.gz BNWBKSMNWFAAFR-SQWLQELKSA-N 0 3 396.285 2.868 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCCS(C)(=O)=O)c1[O-] ZINC000848553747 661664276 /nfs/dbraw/zinc/66/42/76/661664276.db2.gz PWCOLPVOBAEWDR-JTQLQIEISA-N 0 3 380.304 2.639 20 10 GFCDHN Cc1cc(C(=O)N2CCN3CC[C@H]2C3)c(C)n1-c1ccc(Br)cn1 ZINC000854732464 661952003 /nfs/dbraw/zinc/95/20/03/661952003.db2.gz XAKUXALVWCWJSW-HNNXBMFYSA-N 0 3 389.297 2.782 20 10 GFCDHN COc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1[O-] ZINC000131049244 551371580 /nfs/dbraw/zinc/37/15/80/551371580.db2.gz PSBNEVNWNGEPAQ-ZDUSSCGKSA-N 0 3 382.254 2.693 20 10 GFCDHN Oc1cc2c(cc1CNCc1cc(Br)c3c(c1)OCCO3)OCO2 ZINC000263660035 553190317 /nfs/dbraw/zinc/19/03/17/553190317.db2.gz GYJIOTHXWXWSLC-UHFFFAOYSA-N 0 3 394.221 2.944 20 10 GFCDHN COc1cc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c(O)cc1C ZINC000826179435 608546629 /nfs/dbraw/zinc/54/66/29/608546629.db2.gz OEZVYLRIVIWMHP-UHFFFAOYSA-N 0 3 394.479 2.602 20 10 GFCDHN COc1cc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c(O)cc1C ZINC000826179435 608546630 /nfs/dbraw/zinc/54/66/30/608546630.db2.gz OEZVYLRIVIWMHP-UHFFFAOYSA-N 0 3 394.479 2.602 20 10 GFCDHN CCOc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1O ZINC000825649330 608584343 /nfs/dbraw/zinc/58/43/43/608584343.db2.gz OWORYBXJJLZUEH-UHFFFAOYSA-N 0 3 394.479 2.683 20 10 GFCDHN CCOc1cccc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1O ZINC000825649330 608584345 /nfs/dbraw/zinc/58/43/45/608584345.db2.gz OWORYBXJJLZUEH-UHFFFAOYSA-N 0 3 394.479 2.683 20 10 GFCDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1ccccc1Br ZINC000819825925 660270706 /nfs/dbraw/zinc/27/07/06/660270706.db2.gz ZOEZTUVWNWWMHT-CQSZACIVSA-N 0 3 394.313 2.509 20 10 GFCDHN CN(C)c1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000127899726 654837071 /nfs/dbraw/zinc/83/70/71/654837071.db2.gz RBEZGSJHTUSDNC-UHFFFAOYSA-N 0 3 391.921 2.675 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093869986 655021353 /nfs/dbraw/zinc/02/13/53/655021353.db2.gz HBMOAXNHAJIUEL-GFCCVEGCSA-N 0 3 380.286 2.961 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093869986 655021356 /nfs/dbraw/zinc/02/13/56/655021356.db2.gz HBMOAXNHAJIUEL-GFCCVEGCSA-N 0 3 380.286 2.961 20 10 GFCDHN CN(CC(=O)N1CCOCC1)Cc1c(O)ccc2cc(Br)ccc21 ZINC000111163592 655165815 /nfs/dbraw/zinc/16/58/15/655165815.db2.gz XVGPHNGFJJAZJT-UHFFFAOYSA-N 0 3 393.281 2.599 20 10 GFCDHN COC(=O)[C@@H]1CC12CCN(Cc1cc(Br)cc(OC)c1O)CC2 ZINC000769426129 656275897 /nfs/dbraw/zinc/27/58/97/656275897.db2.gz CFAXHFXGQBHOSI-ZDUSSCGKSA-N 0 3 384.270 2.938 20 10 GFCDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000848535160 661662436 /nfs/dbraw/zinc/66/24/36/661662436.db2.gz DULKATYYDUCDCU-JQWIXIFHSA-N 0 3 386.290 2.618 20 10 GFCDHN COc1cc(C)cc(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897976849 663627716 /nfs/dbraw/zinc/62/77/16/663627716.db2.gz AAOCZHWDZXFQKU-CYBMUJFWSA-N 0 3 392.253 2.520 20 10 GFCDHN CN(C)c1ccc([C@H](CNCc2cn(C)nc2Br)N(C)C)cc1 ZINC000898447723 663649991 /nfs/dbraw/zinc/64/99/91/663649991.db2.gz KWNKBEGTIQQZLD-INIZCTEOSA-N 0 3 380.334 2.641 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c1[O-] ZINC000922596734 664607892 /nfs/dbraw/zinc/60/78/92/664607892.db2.gz CVGLSRPEIWCSDX-UHFFFAOYSA-N 0 3 386.286 2.575 20 10 GFCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370055974 563232695 /nfs/dbraw/zinc/23/26/95/563232695.db2.gz OAMFXBSTCDJZGQ-MRXNPFEDSA-N 0 3 397.313 2.757 20 10 GFCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370055974 563232697 /nfs/dbraw/zinc/23/26/97/563232697.db2.gz OAMFXBSTCDJZGQ-MRXNPFEDSA-N 0 3 397.313 2.757 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000367584317 563849301 /nfs/dbraw/zinc/84/93/01/563849301.db2.gz ADVGJTCXTPVLNX-HNNXBMFYSA-N 0 3 380.286 2.819 20 10 GFCDHN CCOc1cccc(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)c1O ZINC000736655771 598275201 /nfs/dbraw/zinc/27/52/01/598275201.db2.gz UFFAACFVFCYBIH-UHFFFAOYSA-N 0 3 385.493 2.994 20 10 GFCDHN Cc1cc(Cl)cc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000826267567 608581546 /nfs/dbraw/zinc/58/15/46/608581546.db2.gz LHSUOHLYBAFRLO-UHFFFAOYSA-N 0 3 398.898 2.852 20 10 GFCDHN Cc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826291448 608660153 /nfs/dbraw/zinc/66/01/53/608660153.db2.gz GMCYAAJCLKJSPR-UHFFFAOYSA-N 0 3 392.463 2.731 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c1[O-] ZINC000825327665 660420716 /nfs/dbraw/zinc/42/07/16/660420716.db2.gz UEGHXMUCUIMARX-UKRRQHHQSA-N 0 3 396.285 2.907 20 10 GFCDHN CN(Cc1ccc(N2CCCCC2)c(Br)c1)CC(C)(CO)CO ZINC000838844846 661059455 /nfs/dbraw/zinc/05/94/55/661059455.db2.gz ZZSLXSRRNMXTBK-UHFFFAOYSA-N 0 3 385.346 2.862 20 10 GFCDHN COc1cc(O)c(CN[C@@H](CO)c2ccc(Br)cc2)cc1OC ZINC000271869363 655097314 /nfs/dbraw/zinc/09/73/14/655097314.db2.gz XDODDCBMCFKLQB-AWEZNQCLSA-N 0 3 382.254 2.995 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000769411038 656274886 /nfs/dbraw/zinc/27/48/86/656274886.db2.gz IGBDVTUUNCBHRL-AWEZNQCLSA-N 0 3 386.286 2.981 20 10 GFCDHN CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)c([O-])c1 ZINC000771981044 656369211 /nfs/dbraw/zinc/36/92/11/656369211.db2.gz QYMNYXLWQCBFEI-UHFFFAOYSA-N 0 3 384.523 2.537 20 10 GFCDHN CSc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000810144584 659964449 /nfs/dbraw/zinc/96/44/49/659964449.db2.gz CCTOHVFNLWYSBS-UHFFFAOYSA-N 0 3 382.576 2.995 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1[O-] ZINC000848552983 661663426 /nfs/dbraw/zinc/66/34/26/661663426.db2.gz HABVLKOEPOWHGB-GXTWGEPZSA-N 0 3 387.318 2.661 20 10 GFCDHN Brc1cc(CN2CCOC3(CNC3)C2)ccc1N1CCCCC1 ZINC000853250045 661886089 /nfs/dbraw/zinc/88/60/89/661886089.db2.gz ZHAHFSWABCNTIS-UHFFFAOYSA-N 0 3 380.330 2.614 20 10 GFCDHN CN1CCN(c2ccc(CNCc3ncc(Br)s3)cc2)CC1 ZINC000865849310 662447313 /nfs/dbraw/zinc/44/73/13/662447313.db2.gz NUTLGJAAGKVTBB-UHFFFAOYSA-N 0 3 381.343 2.947 20 10 GFCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC2SCCS2)N(C)C)cc1 ZINC000895878200 663531687 /nfs/dbraw/zinc/53/16/87/663531687.db2.gz GZXQQLMZMRMJHQ-MRXNPFEDSA-N 0 3 382.599 2.851 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1[O-] ZINC000898366603 663644899 /nfs/dbraw/zinc/64/48/99/663644899.db2.gz DFPZOJPYHCTSLG-LLVKDONJSA-N 0 3 385.251 2.572 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000903397235 663783754 /nfs/dbraw/zinc/78/37/54/663783754.db2.gz NJJIEVUSTRJIKY-WCQYABFASA-N 0 3 393.285 2.888 20 10 GFCDHN COc1cc(Cl)cc(CN2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000368040011 563862477 /nfs/dbraw/zinc/86/24/77/563862477.db2.gz HHTCYSUIILRVPB-UHFFFAOYSA-N 0 3 382.873 2.756 20 10 GFCDHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000638536431 565200947 /nfs/dbraw/zinc/20/09/47/565200947.db2.gz MGNACQGWOXYGBW-NSHDSACASA-N 0 3 387.281 2.941 20 10 GFCDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1ccc(Br)cc1 ZINC000818011649 660213429 /nfs/dbraw/zinc/21/34/29/660213429.db2.gz KXBTTWYKHLNDNY-MRXNPFEDSA-N 0 3 392.297 2.575 20 10 GFCDHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000826958719 660473352 /nfs/dbraw/zinc/47/33/52/660473352.db2.gz SFUVJQFYKFZHSY-DOTOQJQBSA-N 0 3 397.313 2.860 20 10 GFCDHN O=C(NC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000327195789 655385766 /nfs/dbraw/zinc/38/57/66/655385766.db2.gz GXGRIUYEADSQHZ-WBMJQRKESA-N 0 3 386.323 2.779 20 10 GFCDHN O=C(NC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000327195786 655385920 /nfs/dbraw/zinc/38/59/20/655385920.db2.gz GXGRIUYEADSQHZ-MLGOLLRUSA-N 0 3 386.323 2.779 20 10 GFCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756604312 655903040 /nfs/dbraw/zinc/90/30/40/655903040.db2.gz MNYSPSFSWAADMV-JTQLQIEISA-N 0 3 377.710 2.915 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1[O-] ZINC000776252067 656723323 /nfs/dbraw/zinc/72/33/23/656723323.db2.gz MSWGGEOUUAEROL-UHFFFAOYSA-N 0 3 376.316 2.768 20 10 GFCDHN COc1cc(Br)cc(CN[C@H](CC(N)=O)c2ccccc2)c1O ZINC000815154738 660114704 /nfs/dbraw/zinc/11/47/04/660114704.db2.gz RNHDRDCLEXCXBS-CQSZACIVSA-N 0 3 379.254 2.870 20 10 GFCDHN COCCCN(C)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848529669 661662177 /nfs/dbraw/zinc/66/21/77/661662177.db2.gz PRHPDSTUVHLXOX-LBPRGKRZSA-N 0 3 375.307 2.782 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000848550196 661663773 /nfs/dbraw/zinc/66/37/73/661663773.db2.gz FTLOOCVJEXGALC-ZJUUUORDSA-N 0 3 392.315 2.780 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848573482 661665777 /nfs/dbraw/zinc/66/57/77/661665777.db2.gz HFOQOMHQTUXTBW-SKDRFNHKSA-N 0 3 385.258 2.797 20 10 GFCDHN CN(Cc1c([O-])cccc1Br)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000862367542 662283124 /nfs/dbraw/zinc/28/31/24/662283124.db2.gz MLYDKBCVTKFLDR-OAHLLOKOSA-N 0 3 382.346 2.755 20 10 GFCDHN CN(Cc1c([O-])cccc1Br)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000862367542 662283128 /nfs/dbraw/zinc/28/31/28/662283128.db2.gz MLYDKBCVTKFLDR-OAHLLOKOSA-N 0 3 382.346 2.755 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1[O-] ZINC000877675951 662881489 /nfs/dbraw/zinc/88/14/89/662881489.db2.gz XLNKGWXMSXSZTC-LLVKDONJSA-N 0 3 379.180 2.948 20 10 GFCDHN Cc1cc(Br)cc(CNC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000877675951 662881491 /nfs/dbraw/zinc/88/14/91/662881491.db2.gz XLNKGWXMSXSZTC-LLVKDONJSA-N 0 3 379.180 2.948 20 10 GFCDHN CN(Cc1cccs1)c1ccc(CNCCOCCS(C)(=O)=O)cc1 ZINC000295894611 563266803 /nfs/dbraw/zinc/26/68/03/563266803.db2.gz YQHRFJRCRSBEND-UHFFFAOYSA-N 0 3 382.551 2.535 20 10 GFCDHN O=S(=O)(CCC[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccc(Cl)cc1 ZINC000293497625 563814785 /nfs/dbraw/zinc/81/47/85/563814785.db2.gz UEADUBJMZVEYAZ-UHFFFAOYSA-N 0 3 383.853 2.728 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000529643853 564846085 /nfs/dbraw/zinc/84/60/85/564846085.db2.gz KBACMXQBIPTOMC-SFHVURJKSA-N 0 3 378.266 2.919 20 10 GFCDHN CCOCc1cc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1OC ZINC000825603933 607566902 /nfs/dbraw/zinc/56/69/02/607566902.db2.gz FCIUWJSJFKFNSK-UHFFFAOYSA-N 0 3 383.452 2.710 20 10 GFCDHN CCNS(=O)(=O)c1cccc(CNCc2cc(Cl)cc(OC)c2O)c1 ZINC000839148781 661073461 /nfs/dbraw/zinc/07/34/61/661073461.db2.gz MCWYINMOJOTVJW-UHFFFAOYSA-N 0 3 384.885 2.642 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1[O-] ZINC000275395975 655233767 /nfs/dbraw/zinc/23/37/67/655233767.db2.gz ZHGKVIZGNLDRMO-ZDUSSCGKSA-N 0 3 398.345 2.666 20 10 GFCDHN CC[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000181638034 655339379 /nfs/dbraw/zinc/33/93/79/655339379.db2.gz MGWCGZMMZJPGTK-IRXDYDNUSA-N 0 3 382.551 2.690 20 10 GFCDHN CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756410556 655899527 /nfs/dbraw/zinc/89/95/27/655899527.db2.gz HJQTXMKCLWWPHE-STQMWFEESA-N 0 3 388.325 2.970 20 10 GFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@]12CCCO2 ZINC000759175919 655950138 /nfs/dbraw/zinc/95/01/38/655950138.db2.gz GPZIOECTDFNAJS-BFYDXBDKSA-N 0 3 386.286 2.980 20 10 GFCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775664147 656661917 /nfs/dbraw/zinc/66/19/17/656661917.db2.gz UAOPRAFQZYQZEQ-KBPBESRZSA-N 0 3 399.329 2.826 20 10 GFCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000775664147 656661923 /nfs/dbraw/zinc/66/19/23/656661923.db2.gz UAOPRAFQZYQZEQ-KBPBESRZSA-N 0 3 399.329 2.826 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1[O-] ZINC000848523456 661661007 /nfs/dbraw/zinc/66/10/07/661661007.db2.gz GCBAQQXBOBBUKA-DGCLKSJQSA-N 0 3 376.291 2.847 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1[O-] ZINC000848528965 661662015 /nfs/dbraw/zinc/66/20/15/661662015.db2.gz QMAQHCPTIQAXOA-RWMBFGLXSA-N 0 3 387.318 2.923 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c1[O-] ZINC000848552987 661663627 /nfs/dbraw/zinc/66/36/27/661663627.db2.gz HABVLKOEPOWHGB-OCCSQVGLSA-N 0 3 387.318 2.661 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1[O-] ZINC000850354088 661771592 /nfs/dbraw/zinc/77/15/92/661771592.db2.gz VIRAOAKCEYWKJA-KCPJHIHWSA-N 0 3 388.302 2.819 20 10 GFCDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(Br)cn1 ZINC000850494624 661779341 /nfs/dbraw/zinc/77/93/41/661779341.db2.gz RDVSGVOVRSZDHT-ZDUSSCGKSA-N 0 3 376.254 2.557 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1[O-] ZINC000858231396 662105291 /nfs/dbraw/zinc/10/52/91/662105291.db2.gz MFROOGJSGYAWKC-LBPRGKRZSA-N 0 3 379.245 2.982 20 10 GFCDHN C[C@@H](NCC[C@H]1CCCS1(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000883306913 663053260 /nfs/dbraw/zinc/05/32/60/663053260.db2.gz IBLYXUDFQGDLNN-GDBMZVCRSA-N 0 3 386.945 2.795 20 10 GFCDHN COc1ccc(CN[C@H](CO)c2cccc(Br)c2)c(O)c1OC ZINC000893108432 663396854 /nfs/dbraw/zinc/39/68/54/663396854.db2.gz OXZXGOHZWKQTPN-CQSZACIVSA-N 0 3 382.254 2.995 20 10 GFCDHN C[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)Cc1ccccc1O ZINC000736792187 598617527 /nfs/dbraw/zinc/61/75/27/598617527.db2.gz LCIKQINCRNUEEZ-UHFFFAOYSA-N 0 3 398.492 2.583 20 10 GFCDHN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)Cc1ccccc1O ZINC000736792187 598617528 /nfs/dbraw/zinc/61/75/28/598617528.db2.gz LCIKQINCRNUEEZ-UHFFFAOYSA-N 0 3 398.492 2.583 20 10 GFCDHN c1cc(-c2nnn[n-]2)ccc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000826513133 608520457 /nfs/dbraw/zinc/52/04/57/608520457.db2.gz AWOFZCGPNPJQCG-UHFFFAOYSA-N 0 3 390.491 2.868 20 10 GFCDHN c1cc(-c2nnn[n-]2)ccc1C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000826513133 608520458 /nfs/dbraw/zinc/52/04/58/608520458.db2.gz AWOFZCGPNPJQCG-UHFFFAOYSA-N 0 3 390.491 2.868 20 10 GFCDHN c1cc(-c2nn[n-]n2)ccc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000826513133 608520459 /nfs/dbraw/zinc/52/04/59/608520459.db2.gz AWOFZCGPNPJQCG-UHFFFAOYSA-N 0 3 390.491 2.868 20 10 GFCDHN c1cc(-c2nn[n-]n2)ccc1C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000826513133 608520460 /nfs/dbraw/zinc/52/04/60/608520460.db2.gz AWOFZCGPNPJQCG-UHFFFAOYSA-N 0 3 390.491 2.868 20 10 GFCDHN COc1c[nH+]ccc1N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825753359 660440563 /nfs/dbraw/zinc/44/05/63/660440563.db2.gz QOPDTQKKFKTEKG-UHFFFAOYSA-N 0 3 378.270 2.881 20 10 GFCDHN CCOc1cccc(C[NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)s2)c1O ZINC000127783371 654834053 /nfs/dbraw/zinc/83/40/53/654834053.db2.gz QPOOFHHHUGQQKW-UHFFFAOYSA-N 0 3 390.914 2.574 20 10 GFCDHN COc1cccc([O-])c1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000733331512 655612873 /nfs/dbraw/zinc/61/28/73/655612873.db2.gz BQYQZDHGZPHIHM-UHFFFAOYSA-N 0 3 379.254 2.683 20 10 GFCDHN Cc1nc(C)c([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000765979431 656156988 /nfs/dbraw/zinc/15/69/88/656156988.db2.gz TYQWSTAWBHRQCZ-CYBMUJFWSA-N 0 3 379.551 2.846 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c1[O-] ZINC000848523455 661661057 /nfs/dbraw/zinc/66/10/57/661661057.db2.gz GCBAQQXBOBBUKA-AAEUAGOBSA-N 0 3 376.291 2.847 20 10 GFCDHN CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848553412 661664300 /nfs/dbraw/zinc/66/43/00/661664300.db2.gz MXPXHHZVBCOREP-SNVBAGLBSA-N 0 3 380.304 2.639 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000848555408 661664936 /nfs/dbraw/zinc/66/49/36/661664936.db2.gz AQEPZXHAZUAPQP-QWRGUYRKSA-N 0 3 383.286 2.825 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000850395959 661774644 /nfs/dbraw/zinc/77/46/44/661774644.db2.gz FSJNUNLTKNENOP-LLVKDONJSA-N 0 3 385.302 2.900 20 10 GFCDHN CCN1CCN([C@H](C)C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000882889435 663044664 /nfs/dbraw/zinc/04/46/64/663044664.db2.gz ABCCJMDHJPVIIM-GFCCVEGCSA-N 0 3 390.753 2.924 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896394807 663555335 /nfs/dbraw/zinc/55/53/35/663555335.db2.gz FXZBPTTXXVVTKE-YVEFUNNKSA-N 0 3 399.285 2.874 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896394804 663555400 /nfs/dbraw/zinc/55/54/00/663555400.db2.gz FXZBPTTXXVVTKE-SJCJKPOMSA-N 0 3 399.285 2.874 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1[O-] ZINC000529643835 564845564 /nfs/dbraw/zinc/84/55/64/564845564.db2.gz KBACMXQBIPTOMC-GOSISDBHSA-N 0 3 378.266 2.919 20 10 GFCDHN CN(C)c1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000825879749 608570216 /nfs/dbraw/zinc/57/02/16/608570216.db2.gz QXKPCGCDEYPMDB-UHFFFAOYSA-N 0 3 393.495 2.808 20 10 GFCDHN CN(C)c1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000825879749 608570218 /nfs/dbraw/zinc/57/02/18/608570218.db2.gz QXKPCGCDEYPMDB-UHFFFAOYSA-N 0 3 393.495 2.808 20 10 GFCDHN CN(C)c1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1F ZINC000825879181 608584645 /nfs/dbraw/zinc/58/46/45/608584645.db2.gz IVIWSJDDTINHQX-UHFFFAOYSA-N 0 3 395.486 2.784 20 10 GFCDHN CN(C)c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1F ZINC000825879181 608584646 /nfs/dbraw/zinc/58/46/46/608584646.db2.gz IVIWSJDDTINHQX-UHFFFAOYSA-N 0 3 395.486 2.784 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000809710940 659936893 /nfs/dbraw/zinc/93/68/93/659936893.db2.gz DJVIVYYETOHPAD-ZDUSSCGKSA-N 0 3 397.235 2.816 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)c1[O-] ZINC000848523458 661661018 /nfs/dbraw/zinc/66/10/18/661661018.db2.gz GCBAQQXBOBBUKA-YPMHNXCESA-N 0 3 376.291 2.847 20 10 GFCDHN COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848525064 661661625 /nfs/dbraw/zinc/66/16/25/661661625.db2.gz MGMJWKCPLJJNGE-OCCSQVGLSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1[O-] ZINC000848536754 661662355 /nfs/dbraw/zinc/66/23/55/661662355.db2.gz UVUXEOFVAODECI-JTQLQIEISA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)c1[O-] ZINC000848553748 661663972 /nfs/dbraw/zinc/66/39/72/661663972.db2.gz PWCOLPVOBAEWDR-SNVBAGLBSA-N 0 3 380.304 2.639 20 10 GFCDHN COc1cc(Br)cc(CN[C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850353116 661771483 /nfs/dbraw/zinc/77/14/83/661771483.db2.gz STEYOVVOYMJQTE-CQSZACIVSA-N 0 3 391.265 2.841 20 10 GFCDHN C[C@H](NCC[S@@](=O)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850491094 661778937 /nfs/dbraw/zinc/77/89/37/661778937.db2.gz LDPFIZFVHGZMQA-UOXLDJKESA-N 0 3 382.423 2.624 20 10 GFCDHN C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cc(F)ccc1[O-] ZINC000903326920 663782338 /nfs/dbraw/zinc/78/23/38/663782338.db2.gz WCRUGNGNNLLTIB-ISVAXAHUSA-N 0 3 380.217 2.903 20 10 GFCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000179846668 552205007 /nfs/dbraw/zinc/20/50/07/552205007.db2.gz JVTPCWVXLUVPIZ-MRXNPFEDSA-N 0 3 390.318 2.697 20 10 GFCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000179846668 552205008 /nfs/dbraw/zinc/20/50/08/552205008.db2.gz JVTPCWVXLUVPIZ-MRXNPFEDSA-N 0 3 390.318 2.697 20 10 GFCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)c1csc(CC[NH3+])n1 ZINC000194821310 553031035 /nfs/dbraw/zinc/03/10/35/553031035.db2.gz FHGUSEXDYATZIZ-UHFFFAOYSA-N 0 3 384.299 2.775 20 10 GFCDHN COc1cc(Cl)cc(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000824739489 660400410 /nfs/dbraw/zinc/40/04/10/660400410.db2.gz YTSOQSDFRSZAJS-UHFFFAOYSA-N 0 3 384.885 2.594 20 10 GFCDHN Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834798587 660833348 /nfs/dbraw/zinc/83/33/48/660833348.db2.gz KADNFAPQKIUJJI-OAHLLOKOSA-N 0 3 380.897 2.909 20 10 GFCDHN CCN1CCN(CCC[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756408475 655899480 /nfs/dbraw/zinc/89/94/80/655899480.db2.gz OFVXIHFIJQVQRG-CYBMUJFWSA-N 0 3 388.325 2.972 20 10 GFCDHN Cc1cc(Br)cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1[O-] ZINC000840975932 661222850 /nfs/dbraw/zinc/22/28/50/661222850.db2.gz SRPFODBHRWBFEP-UHFFFAOYSA-N 0 3 376.316 2.768 20 10 GFCDHN C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000769526417 656279483 /nfs/dbraw/zinc/27/94/83/656279483.db2.gz LFZKJFONHWAEQT-RHSMWYFYSA-N 0 3 382.346 2.613 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1[O-] ZINC000848543853 661663260 /nfs/dbraw/zinc/66/32/60/661663260.db2.gz HSXBUQQCFQEWLU-PWSUYJOCSA-N 0 3 392.315 2.781 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000187359750 552413336 /nfs/dbraw/zinc/41/33/36/552413336.db2.gz OIKUQBYZSYNJFL-NSHDSACASA-N 0 3 376.316 2.939 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1[O-] ZINC000373205825 563332124 /nfs/dbraw/zinc/33/21/24/563332124.db2.gz SAJWUYDRIMAATK-CQSZACIVSA-N 0 3 395.301 2.655 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000368749801 563878089 /nfs/dbraw/zinc/87/80/89/563878089.db2.gz JGGSTYIPUOHADT-WBMJQRKESA-N 0 3 397.313 2.894 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1[O-] ZINC000527770379 564760545 /nfs/dbraw/zinc/76/05/45/564760545.db2.gz UYIBHBCGPMUJLO-GOSISDBHSA-N 0 3 394.265 2.619 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824501553 660394625 /nfs/dbraw/zinc/39/46/25/660394625.db2.gz OHQRTWDLYDQZPQ-OAHLLOKOSA-N 0 3 384.245 2.996 20 10 GFCDHN C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000756561077 655901989 /nfs/dbraw/zinc/90/19/89/655901989.db2.gz ALGDUXSMFYQMCI-CYBMUJFWSA-N 0 3 398.345 2.748 20 10 GFCDHN CN(C)CC[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000806371105 659830837 /nfs/dbraw/zinc/83/08/37/659830837.db2.gz FYSGVQPEBGLBLG-UHFFFAOYSA-N 0 3 389.327 2.524 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1[O-] ZINC000841890892 661317377 /nfs/dbraw/zinc/31/73/77/661317377.db2.gz SKQFDFHZJVRFAM-UHFFFAOYSA-N 0 3 388.302 2.821 20 10 GFCDHN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000843432722 661381541 /nfs/dbraw/zinc/38/15/41/661381541.db2.gz OKFUOIVLFQMIHH-AWEZNQCLSA-N 0 3 395.219 2.964 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)c1[O-] ZINC000848534466 661662519 /nfs/dbraw/zinc/66/25/19/661662519.db2.gz ZYOXQNKPEVNJIO-NXEZZACHSA-N 0 3 380.304 2.637 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1[O-] ZINC000850354087 661771671 /nfs/dbraw/zinc/77/16/71/661771671.db2.gz VIRAOAKCEYWKJA-BYCMXARLSA-N 0 3 388.302 2.819 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1[O-] ZINC000850354090 661771682 /nfs/dbraw/zinc/77/16/82/661771682.db2.gz VIRAOAKCEYWKJA-TUKIKUTGSA-N 0 3 388.302 2.819 20 10 GFCDHN CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000850555451 661781498 /nfs/dbraw/zinc/78/14/98/661781498.db2.gz IRCVSTVCCJMWAB-JTQLQIEISA-N 0 3 392.315 2.781 20 10 GFCDHN Cc1cc(Br)cc(CN2CCC(CN3CCNC3=O)CC2)c1O ZINC000897582833 663612471 /nfs/dbraw/zinc/61/24/71/663612471.db2.gz HVXDRVXTGNLDAI-UHFFFAOYSA-N 0 3 382.302 2.700 20 10 GFCDHN Cc1cc(Br)cc(C[NH+]2CCC(CN3CCNC3=O)CC2)c1[O-] ZINC000897582833 663612473 /nfs/dbraw/zinc/61/24/73/663612473.db2.gz HVXDRVXTGNLDAI-UHFFFAOYSA-N 0 3 382.302 2.700 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1[O-] ZINC000926955678 664699445 /nfs/dbraw/zinc/69/94/45/664699445.db2.gz OGXRVOAXGIXMDR-JTQLQIEISA-N 0 3 394.331 2.885 20 10 GFCDHN C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000926953919 664699464 /nfs/dbraw/zinc/69/94/64/664699464.db2.gz QQXSMBMBURHNMF-CQSZACIVSA-N 0 3 388.961 2.898 20 10 GFCDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000328651470 212088933 /nfs/dbraw/zinc/08/89/33/212088933.db2.gz VXWXZCVVSAHMBP-PZJWPPBQSA-N 0 3 388.487 2.889 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000286898287 563579486 /nfs/dbraw/zinc/57/94/86/563579486.db2.gz DKVBPHPNTMQNEO-VXGBXAGGSA-N 0 3 376.316 2.939 20 10 GFCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000370055973 563232416 /nfs/dbraw/zinc/23/24/16/563232416.db2.gz OAMFXBSTCDJZGQ-INIZCTEOSA-N 0 3 397.313 2.757 20 10 GFCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000370055973 563232419 /nfs/dbraw/zinc/23/24/19/563232419.db2.gz OAMFXBSTCDJZGQ-INIZCTEOSA-N 0 3 397.313 2.757 20 10 GFCDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(Br)cc1[O-] ZINC000368330701 563868881 /nfs/dbraw/zinc/86/88/81/563868881.db2.gz XRVTYYSJTYIBDJ-UKRRQHHQSA-N 0 3 382.346 2.974 20 10 GFCDHN c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517037 608504988 /nfs/dbraw/zinc/50/49/88/608504988.db2.gz NCTBEOSGDBWYQE-NRFANRHFSA-N 0 3 390.491 2.871 20 10 GFCDHN c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517037 608504990 /nfs/dbraw/zinc/50/49/90/608504990.db2.gz NCTBEOSGDBWYQE-NRFANRHFSA-N 0 3 390.491 2.871 20 10 GFCDHN COc1cc(Br)cc(C[N@H+](CCO)C2CCSCC2)c1[O-] ZINC000825130001 660412160 /nfs/dbraw/zinc/41/21/60/660412160.db2.gz JWFPMAXYYZZQLH-UHFFFAOYSA-N 0 3 376.316 2.853 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+](CCO)C2CCSCC2)c1[O-] ZINC000825130001 660412161 /nfs/dbraw/zinc/41/21/61/660412161.db2.gz JWFPMAXYYZZQLH-UHFFFAOYSA-N 0 3 376.316 2.853 20 10 GFCDHN Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834798586 660833304 /nfs/dbraw/zinc/83/33/04/660833304.db2.gz KADNFAPQKIUJJI-HNNXBMFYSA-N 0 3 380.897 2.909 20 10 GFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1[O-] ZINC000779019013 656897273 /nfs/dbraw/zinc/89/72/73/656897273.db2.gz TYNVBRPTRKQNJZ-DGCLKSJQSA-N 0 3 391.331 2.538 20 10 GFCDHN COc1cc(Br)cc([C@H](C)NCc2ccc(C(N)=O)nc2)c1O ZINC000848533853 661661839 /nfs/dbraw/zinc/66/18/39/661661839.db2.gz VYWBHIBQMNDWGS-VIFPVBQESA-N 0 3 380.242 2.508 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC(OC)CC2)c1[O-] ZINC000848531826 661661924 /nfs/dbraw/zinc/66/19/24/661661924.db2.gz UCEIHWCOJWKTNB-LBPRGKRZSA-N 0 3 387.318 2.925 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000848550394 661663563 /nfs/dbraw/zinc/66/35/63/661663563.db2.gz LIOGHBXLUQTFTN-WDEREUQCSA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000848550393 661663614 /nfs/dbraw/zinc/66/36/14/661663614.db2.gz LIOGHBXLUQTFTN-QWRGUYRKSA-N 0 3 392.315 2.639 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000848563683 661665256 /nfs/dbraw/zinc/66/52/56/661665256.db2.gz WHDAQISMSMKZSN-UPJWGTAASA-N 0 3 387.318 2.751 20 10 GFCDHN C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862241787 662276621 /nfs/dbraw/zinc/27/66/21/662276621.db2.gz ZIANDICMGADSQN-OAHLLOKOSA-N 0 3 382.346 2.757 20 10 GFCDHN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862241787 662276625 /nfs/dbraw/zinc/27/66/25/662276625.db2.gz ZIANDICMGADSQN-OAHLLOKOSA-N 0 3 382.346 2.757 20 10 GFCDHN O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000873049846 662797669 /nfs/dbraw/zinc/79/76/69/662797669.db2.gz MYIVUPWHLCMIRT-SJORKVTESA-N 0 3 386.945 2.567 20 10 GFCDHN COc1cc(C)cc(CN[C@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897976857 663627758 /nfs/dbraw/zinc/62/77/58/663627758.db2.gz AAOCZHWDZXFQKU-ZDUSSCGKSA-N 0 3 392.253 2.520 20 10 GFCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])CC2 ZINC000187367483 552413804 /nfs/dbraw/zinc/41/38/04/552413804.db2.gz ORPCWXATMIICIR-DGCLKSJQSA-N 0 3 395.301 2.867 20 10 GFCDHN C[C@H](CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N(C)C ZINC000298349343 563352021 /nfs/dbraw/zinc/35/20/21/563352021.db2.gz MHFRFGXVWYAAIT-XTCQQWIJSA-N 0 3 397.591 2.796 20 10 GFCDHN Cc1cc(C(=O)NCCC[N@@H+](C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236920 598610920 /nfs/dbraw/zinc/61/09/20/598610920.db2.gz UVIICMVFBZRWNF-UHFFFAOYSA-N 0 3 395.511 2.734 20 10 GFCDHN Cc1cc(C(=O)NCCC[N@H+](C)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236920 598610921 /nfs/dbraw/zinc/61/09/21/598610921.db2.gz UVIICMVFBZRWNF-UHFFFAOYSA-N 0 3 395.511 2.734 20 10 GFCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779054383 656898257 /nfs/dbraw/zinc/89/82/57/656898257.db2.gz WTPLQQABASFVJS-DAXOMENPSA-N 0 3 388.302 2.934 20 10 GFCDHN COc1ccc(CNCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1C ZINC000800895021 659344092 /nfs/dbraw/zinc/34/40/92/659344092.db2.gz XCEUSUQNPLHTPU-UHFFFAOYSA-N 0 3 386.876 2.864 20 10 GFCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)c1[O-] ZINC000848534470 661662648 /nfs/dbraw/zinc/66/26/48/661662648.db2.gz ZYOXQNKPEVNJIO-VHSXEESVSA-N 0 3 380.304 2.637 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1[O-] ZINC000850400582 661775083 /nfs/dbraw/zinc/77/50/83/661775083.db2.gz KEKUAQYNCPHGPS-QGZVFWFLSA-N 0 3 388.302 2.821 20 10 GFCDHN CCN(CC)C(=O)CN1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862217889 662274494 /nfs/dbraw/zinc/27/44/94/662274494.db2.gz WWKSBRMYKDUZJL-UHFFFAOYSA-N 0 3 398.345 2.531 20 10 GFCDHN C[C@H](NCC[C@H]1CCCS1(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000883306914 663053239 /nfs/dbraw/zinc/05/32/39/663053239.db2.gz IBLYXUDFQGDLNN-GOEBONIOSA-N 0 3 386.945 2.795 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896394802 663555222 /nfs/dbraw/zinc/55/52/22/663555222.db2.gz FXZBPTTXXVVTKE-PXAZEXFGSA-N 0 3 399.285 2.874 20 10 GFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000903397233 663783652 /nfs/dbraw/zinc/78/36/52/663783652.db2.gz NJJIEVUSTRJIKY-AAEUAGOBSA-N 0 3 393.285 2.888 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000922807590 664615101 /nfs/dbraw/zinc/61/51/01/664615101.db2.gz CRRXSJBYPFZMFS-CQSZACIVSA-N 0 3 386.286 2.981 20 10 GFCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1[O-] ZINC000184706152 552342915 /nfs/dbraw/zinc/34/29/15/552342915.db2.gz GXIGWXVPMRNZMU-UHFFFAOYSA-N 0 3 384.885 2.594 20 10 GFCDHN C[C@H](CS(C)(=O)=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000367738478 563853413 /nfs/dbraw/zinc/85/34/13/563853413.db2.gz AZXKAGFPWGPFQY-GFCCVEGCSA-N 0 3 380.432 2.577 20 10 GFCDHN COc1ccc(N2CCC[N@H+](Cc3ccc(OC)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826208825 607489151 /nfs/dbraw/zinc/48/91/51/607489151.db2.gz BLBUWWXQZNNDLY-UHFFFAOYSA-N 0 3 394.479 2.596 20 10 GFCDHN COc1ccc(N2CCC[N@@H+](Cc3ccc(OC)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826208825 607489153 /nfs/dbraw/zinc/48/91/53/607489153.db2.gz BLBUWWXQZNNDLY-UHFFFAOYSA-N 0 3 394.479 2.596 20 10 GFCDHN COc1ccc(N2CCC[N@H+](Cc3ccc(OC)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826208825 607489155 /nfs/dbraw/zinc/48/91/55/607489155.db2.gz BLBUWWXQZNNDLY-UHFFFAOYSA-N 0 3 394.479 2.596 20 10 GFCDHN COc1ccc(N2CCC[N@@H+](Cc3ccc(OC)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826208825 607489157 /nfs/dbraw/zinc/48/91/57/607489157.db2.gz BLBUWWXQZNNDLY-UHFFFAOYSA-N 0 3 394.479 2.596 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000738441090 655690979 /nfs/dbraw/zinc/69/09/79/655690979.db2.gz UAZVLCHTJYDZOV-UHFFFAOYSA-N 0 3 378.266 2.783 20 10 GFCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756604313 655902975 /nfs/dbraw/zinc/90/29/75/655902975.db2.gz MNYSPSFSWAADMV-SNVBAGLBSA-N 0 3 377.710 2.915 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]CCCNCc2cccnc2)c1[O-] ZINC000841042140 661229321 /nfs/dbraw/zinc/22/93/21/661229321.db2.gz LSOVOVPURSSIJW-UHFFFAOYSA-N 0 3 380.286 2.828 20 10 GFCDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000806174021 659826879 /nfs/dbraw/zinc/82/68/79/659826879.db2.gz QMRYXAJNKVSTPK-GJZGRUSLSA-N 0 3 386.945 2.652 20 10 GFCDHN CNC(=O)COc1cccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])c1 ZINC000809720743 659937131 /nfs/dbraw/zinc/93/71/31/659937131.db2.gz LXTBJHPNZHJLQR-UHFFFAOYSA-N 0 3 393.281 2.878 20 10 GFCDHN CCN(Cc1cc(Br)ccc1O)C(=O)C1(N)Cc2ccccc2C1 ZINC000843446343 661381756 /nfs/dbraw/zinc/38/17/56/661381756.db2.gz DJZXZYDTMWHJQS-UHFFFAOYSA-N 0 3 389.293 3.000 20 10 GFCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000848563679 661665303 /nfs/dbraw/zinc/66/53/03/661665303.db2.gz WHDAQISMSMKZSN-RWMBFGLXSA-N 0 3 387.318 2.751 20 10 GFCDHN COc1cc(Br)cc(CN2CCC([C@@]3(C)COC(=O)N3)CC2)c1O ZINC000896458271 663558492 /nfs/dbraw/zinc/55/84/92/663558492.db2.gz HUCWOPZYMYCKAH-QGZVFWFLSA-N 0 3 399.285 2.874 20 10 GFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000294794050 563216750 /nfs/dbraw/zinc/21/67/50/563216750.db2.gz OOGAUVIDMSHUGA-GFCCVEGCSA-N 0 3 380.432 2.974 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000367467778 563845732 /nfs/dbraw/zinc/84/57/32/563845732.db2.gz VWGKDLGKIPXHLK-HOTGVXAUSA-N 0 3 399.329 2.584 20 10 GFCDHN COc1cc(Br)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000367467778 563845735 /nfs/dbraw/zinc/84/57/35/563845735.db2.gz VWGKDLGKIPXHLK-HOTGVXAUSA-N 0 3 399.329 2.584 20 10 GFCDHN Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1O ZINC000826298206 608583274 /nfs/dbraw/zinc/58/32/74/608583274.db2.gz IPPWINMTKMYCRU-UHFFFAOYSA-N 0 3 392.463 2.731 20 10 GFCDHN COc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824653754 660398751 /nfs/dbraw/zinc/39/87/51/660398751.db2.gz HEILJAHALIBFMZ-DFBGVHRSSA-N 0 3 386.286 2.525 20 10 GFCDHN COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824653754 660398752 /nfs/dbraw/zinc/39/87/52/660398752.db2.gz HEILJAHALIBFMZ-DFBGVHRSSA-N 0 3 386.286 2.525 20 10 GFCDHN Cc1cc(Br)cc(CNCc2cccc(N3CCOCC3)n2)c1O ZINC000274883907 655206008 /nfs/dbraw/zinc/20/60/08/655206008.db2.gz BTTQMLOVQFQAGO-UHFFFAOYSA-N 0 3 392.297 2.985 20 10 GFCDHN CN1CCCc2cc(CNCc3ccc(S(N)(=O)=O)c(Cl)c3)ccc21 ZINC000840887312 661198617 /nfs/dbraw/zinc/19/86/17/661198617.db2.gz WPLYISAJWBPYSE-UHFFFAOYSA-N 0 3 379.913 2.660 20 10 GFCDHN C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)cc1[O-] ZINC000756563996 655902074 /nfs/dbraw/zinc/90/20/74/655902074.db2.gz QQSFSFCSIIMAJI-ZDUSSCGKSA-N 0 3 398.345 2.748 20 10 GFCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000769411040 656274971 /nfs/dbraw/zinc/27/49/71/656274971.db2.gz IGBDVTUUNCBHRL-CQSZACIVSA-N 0 3 386.286 2.981 20 10 GFCDHN Cc1cc(S(=O)(=O)NCCNCc2ccc(N(C)C)c(F)c2)c(C)s1 ZINC000771983207 656369243 /nfs/dbraw/zinc/36/92/43/656369243.db2.gz UYBSWZZCAWMCTJ-UHFFFAOYSA-N 0 3 385.530 2.638 20 10 GFCDHN COc1ccc(N2CCN(CCNCc3ccc(Br)o3)CC2)cc1 ZINC000790958476 658049214 /nfs/dbraw/zinc/04/92/14/658049214.db2.gz QENKLCDSVJWJOH-UHFFFAOYSA-N 0 3 394.313 2.963 20 10 GFCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1[O-] ZINC000808708540 659903789 /nfs/dbraw/zinc/90/37/89/659903789.db2.gz MSUISUFZTGFLMC-WCQYABFASA-N 0 3 389.926 2.901 20 10 GFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@@H]1n1cccn1 ZINC000815166349 660115017 /nfs/dbraw/zinc/11/50/17/660115017.db2.gz BNWBKSMNWFAAFR-FMKPAKJESA-N 0 3 396.285 2.868 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000848550195 661663640 /nfs/dbraw/zinc/66/36/40/661663640.db2.gz FTLOOCVJEXGALC-VHSXEESVSA-N 0 3 392.315 2.780 20 10 GFCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1[O-] ZINC000848555267 661664303 /nfs/dbraw/zinc/66/43/03/661664303.db2.gz NMPRKXVLKZVLJF-GTNSWQLSSA-N 0 3 388.302 2.992 20 10 GFCDHN COc1ccc(CN[C@@H](CO)c2ccc(Br)cc2)c(O)c1OC ZINC000893260588 663404675 /nfs/dbraw/zinc/40/46/75/663404675.db2.gz NZVVWCYCMIELIY-AWEZNQCLSA-N 0 3 382.254 2.995 20 10 GFCDHN COc1cc(Br)cc(CN[C@H]2c3ccccc3OC[C@H]2CO)c1O ZINC000897950536 663626895 /nfs/dbraw/zinc/62/68/95/663626895.db2.gz JLKVGVIMNZVZNC-SJKOYZFVSA-N 0 3 394.265 2.995 20 10 GFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897979385 663628997 /nfs/dbraw/zinc/62/89/97/663628997.db2.gz ZZROTAXBDFTTAN-OTYXRUKQSA-N 0 3 392.253 2.772 20 10 GFCDHN C[C@](CO)(NCc1cc2c(cc1O)OCO2)c1cccc(Br)c1 ZINC000898168367 663636693 /nfs/dbraw/zinc/63/66/93/663636693.db2.gz BUGZJYCOSGGDSW-QGZVFWFLSA-N 0 3 380.238 2.881 20 10 GFCDHN CN(C)c1ccc([C@H](CNCc2c(Br)cnn2C)N(C)C)cc1 ZINC000898449596 663650052 /nfs/dbraw/zinc/65/00/52/663650052.db2.gz HXJASUCARCVMTF-INIZCTEOSA-N 0 3 380.334 2.641 20 10 GFCDHN