smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067495 700222864 /nfs/dbraw/zinc/22/28/64/700222864.db2.gz MPQPSPHRNNPWPD-MOPGFXCFSA-N 1 0 363.571 3.317 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCC(C)C ZINC000076118530 700224734 /nfs/dbraw/zinc/22/47/34/700224734.db2.gz QGWDSDUGQUCVKS-GFCCVEGCSA-N 1 0 357.292 3.137 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000090592537 700406085 /nfs/dbraw/zinc/40/60/85/700406085.db2.gz FTJRUEREJWOYPP-XJKSGUPXSA-N 1 0 357.420 3.347 20 10 FGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090811415 700407589 /nfs/dbraw/zinc/40/75/89/700407589.db2.gz AEHCVVOMGVTJLJ-BEFAXECRSA-N 1 0 352.494 3.356 20 10 FGCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccsc1 ZINC000092010852 700430222 /nfs/dbraw/zinc/43/02/22/700430222.db2.gz TWNMLEIESQZSDI-UHFFFAOYSA-N 1 0 355.507 3.210 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSC(C)(C)C)cc2F)CC1 ZINC000106702535 700509743 /nfs/dbraw/zinc/50/97/43/700509743.db2.gz MRFNLCRTGVSVGI-UHFFFAOYSA-N 1 0 367.534 3.116 20 10 FGCDRO C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCCCCC1 ZINC000118775889 700614644 /nfs/dbraw/zinc/61/46/44/700614644.db2.gz IBKYRGJMLUESMF-QGZVFWFLSA-N 1 0 361.555 3.121 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000122723680 700694555 /nfs/dbraw/zinc/69/45/55/700694555.db2.gz CYIGSDQFUXXMEC-HNNXBMFYSA-N 1 0 361.511 3.283 20 10 FGCDRO CCN1CCC([N@H+](C)Cc2cc(Br)cc(OC)c2O)CC1 ZINC000125208972 700732392 /nfs/dbraw/zinc/73/23/92/700732392.db2.gz GIYLMBPEQZEKMA-UHFFFAOYSA-N 1 0 357.292 3.079 20 10 FGCDRO C[C@H]([NH2+]CCN1CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000128227889 700772282 /nfs/dbraw/zinc/77/22/82/700772282.db2.gz WPUYYWXZOCSUBI-INIZCTEOSA-N 1 0 351.922 3.313 20 10 FGCDRO CC(C)([NH2+]Cc1cc(Br)ccc1O)C(=O)NCC1CCCC1 ZINC000136032225 704856826 /nfs/dbraw/zinc/85/68/26/704856826.db2.gz OLKXKKMQQRCFHB-UHFFFAOYSA-N 1 0 369.303 3.329 20 10 FGCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000152170544 704952610 /nfs/dbraw/zinc/95/26/10/704952610.db2.gz ORSZMKXGFWSNLK-KGLIPLIRSA-N 1 0 356.561 3.045 20 10 FGCDRO COc1cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000159911811 705237508 /nfs/dbraw/zinc/23/75/08/705237508.db2.gz NGNVOBMGCJWHPP-UHFFFAOYSA-N 1 0 350.459 3.152 20 10 FGCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164421148 705329490 /nfs/dbraw/zinc/32/94/90/705329490.db2.gz HNVNFPCSWSVINF-OAHLLOKOSA-N 1 0 351.487 3.183 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000179883055 705719705 /nfs/dbraw/zinc/71/97/05/705719705.db2.gz CJGULJDAEMFEMW-HNNXBMFYSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000182346507 705836138 /nfs/dbraw/zinc/83/61/38/705836138.db2.gz WWLGTTSPFRVNNQ-ZIAGYGMSSA-N 1 0 350.459 3.451 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000182918679 705868920 /nfs/dbraw/zinc/86/89/20/705868920.db2.gz MHDVWTDPDLFZOD-SJLPKXTDSA-N 1 0 356.507 3.117 20 10 FGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186164758 712711114 /nfs/dbraw/zinc/71/11/14/712711114.db2.gz ZVBSVWCQVSGWAV-UKRRQHHQSA-N 1 0 351.443 3.434 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(OCC)ccc2O)CC1 ZINC000189372021 712792714 /nfs/dbraw/zinc/79/27/14/712792714.db2.gz WOAFWTVYVNVWIX-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000189504101 712795898 /nfs/dbraw/zinc/79/58/98/712795898.db2.gz ZDTLABFFEDWDKF-RTBURBONSA-N 1 0 363.571 3.365 20 10 FGCDRO CN(c1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc1)C1CCCCC1 ZINC000237054853 713587368 /nfs/dbraw/zinc/58/73/68/713587368.db2.gz JKQCHMJWYSYURT-KRWDZBQOSA-N 1 0 361.555 3.167 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164847 724397202 /nfs/dbraw/zinc/39/72/02/724397202.db2.gz ZVTUAEIFJMNFJZ-KBPBESRZSA-N 1 0 350.459 3.136 20 10 FGCDRO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779339696 724408382 /nfs/dbraw/zinc/40/83/82/724408382.db2.gz FMOLYDYXNKBKOK-CRAIPNDOSA-N 1 0 362.905 3.275 20 10 FGCDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769473902 723686699 /nfs/dbraw/zinc/68/66/99/723686699.db2.gz QDZFYOGLQLXQRM-RTBURBONSA-N 1 0 350.478 3.298 20 10 FGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1O ZINC000781919590 724612603 /nfs/dbraw/zinc/61/26/03/724612603.db2.gz FVGLDVSHRHKPQX-GOSISDBHSA-N 1 0 360.479 3.107 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC000700731145 722409901 /nfs/dbraw/zinc/40/99/01/722409901.db2.gz ZCWDNHDPNVWWKZ-DVOMOZLQSA-N 1 0 350.459 3.449 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000715134677 722415707 /nfs/dbraw/zinc/41/57/07/722415707.db2.gz CHMKBOVHDXRVAX-IHRRRGAJSA-N 1 0 350.459 3.355 20 10 FGCDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c(O)c1 ZINC000725849887 722424848 /nfs/dbraw/zinc/42/48/48/722424848.db2.gz ZOIUBXVPQFHLDJ-CYBMUJFWSA-N 1 0 364.467 3.013 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727079796 722441046 /nfs/dbraw/zinc/44/10/46/722441046.db2.gz SJBBJAANRZOMSY-UHFFFAOYSA-N 1 0 364.603 3.425 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OCC(F)(F)F ZINC000732233086 722482901 /nfs/dbraw/zinc/48/29/01/722482901.db2.gz NYCXALGVWQVSAN-GFCCVEGCSA-N 1 0 366.767 3.299 20 10 FGCDRO COc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1O ZINC000734843024 722510512 /nfs/dbraw/zinc/51/05/12/722510512.db2.gz BSTXKMFKNKQMLN-RHSMWYFYSA-N 1 0 355.356 3.025 20 10 FGCDRO OC[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCCN(Cc2ccccc2)C1 ZINC000734846574 722510523 /nfs/dbraw/zinc/51/05/23/722510523.db2.gz YFRHRCNCCQAQAS-FQEVSTJZSA-N 1 0 360.885 3.162 20 10 FGCDRO COc1cccc(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1O ZINC000734844952 722510552 /nfs/dbraw/zinc/51/05/52/722510552.db2.gz GQWIARYWKVPXCT-KRWDZBQOSA-N 1 0 355.356 3.417 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2CCC(OC)CC2)c1O ZINC000749922246 722747776 /nfs/dbraw/zinc/74/77/76/722747776.db2.gz BSAMWGGLIHWWFO-UHFFFAOYSA-N 1 0 358.276 3.458 20 10 FGCDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000756553316 722966699 /nfs/dbraw/zinc/96/66/99/722966699.db2.gz GEDDBFXUUJCDTL-LBPRGKRZSA-N 1 0 369.870 3.179 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(O)c1C ZINC000756760820 722969680 /nfs/dbraw/zinc/96/96/80/722969680.db2.gz OHSMWUMAOXLBLB-AWEZNQCLSA-N 1 0 368.524 3.042 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Br)ccc1O ZINC000756788552 722970139 /nfs/dbraw/zinc/97/01/39/722970139.db2.gz WGLCVBARYANDRF-AAEUAGOBSA-N 1 0 356.260 3.491 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000759601206 723011206 /nfs/dbraw/zinc/01/12/06/723011206.db2.gz LSRWMXXMOSZTCJ-UHFFFAOYSA-N 1 0 368.572 3.285 20 10 FGCDRO COCCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000759959629 723031197 /nfs/dbraw/zinc/03/11/97/723031197.db2.gz WYMNTNMSUIEXKJ-MRXNPFEDSA-N 1 0 368.905 3.189 20 10 FGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000761432258 723153580 /nfs/dbraw/zinc/15/35/80/723153580.db2.gz KQCPLBUJVSHHDI-CZUORRHYSA-N 1 0 358.511 3.004 20 10 FGCDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)c(O)c1 ZINC000790652598 723164310 /nfs/dbraw/zinc/16/43/10/723164310.db2.gz KYCLMDZUQLCDMV-CQSZACIVSA-N 1 0 363.479 3.435 20 10 FGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccsc3Cl)cc2)C1 ZINC000790954782 723198632 /nfs/dbraw/zinc/19/86/32/723198632.db2.gz YFIMPRJLTUFXEB-OAHLLOKOSA-N 1 0 363.914 3.393 20 10 FGCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1cccc(Br)c1 ZINC000763441942 723343551 /nfs/dbraw/zinc/34/35/51/723343551.db2.gz IILFVMYUIOBGLY-ZDUSSCGKSA-N 1 0 368.246 3.235 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792892424 723378007 /nfs/dbraw/zinc/37/80/07/723378007.db2.gz CWJHTXCCDPPRQU-INIZCTEOSA-N 1 0 360.420 3.447 20 10 FGCDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764593845 723428475 /nfs/dbraw/zinc/42/84/75/723428475.db2.gz HQYFKLVUPWQWJU-WBVHZDCISA-N 1 0 351.922 3.312 20 10 FGCDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000793543452 723447554 /nfs/dbraw/zinc/44/75/54/723447554.db2.gz UIJHYEOVGXJRJP-MRXNPFEDSA-N 1 0 352.544 3.226 20 10 FGCDRO CS[C@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@@H]1[NH+](C)C ZINC000765268538 723500099 /nfs/dbraw/zinc/50/00/99/723500099.db2.gz JUSZYRBWUIYMLQ-HOTGVXAUSA-N 1 0 363.552 3.273 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766584479 723582376 /nfs/dbraw/zinc/58/23/76/723582376.db2.gz UIIWHLSEZWYBAL-DZGCQCFKSA-N 1 0 360.889 3.108 20 10 FGCDRO CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c(O)c1 ZINC000767427253 723618885 /nfs/dbraw/zinc/61/88/85/723618885.db2.gz XMSWMZSACMKKRT-INIZCTEOSA-N 1 0 366.255 3.377 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1cc(F)c(F)c(F)c1 ZINC000767713838 723630721 /nfs/dbraw/zinc/63/07/21/723630721.db2.gz ZUHWTFPCMIVFEQ-LLVKDONJSA-N 1 0 359.775 3.404 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000767712896 723630814 /nfs/dbraw/zinc/63/08/14/723630814.db2.gz TYFSFWNIWZZKPY-OAHLLOKOSA-N 1 0 352.400 3.111 20 10 FGCDRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000796470972 723639161 /nfs/dbraw/zinc/63/91/61/723639161.db2.gz OSMFSFKYWYYHER-SFHVURJKSA-N 1 0 362.267 3.381 20 10 FGCDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C ZINC000769466639 723686434 /nfs/dbraw/zinc/68/64/34/723686434.db2.gz OQCGKUYQRHIKLR-RYUDHWBXSA-N 1 0 357.292 3.078 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNCc3ncc(Cl)s3)cc2F)CC1 ZINC000769911688 723700266 /nfs/dbraw/zinc/70/02/66/723700266.db2.gz MZUASXNRWBXQBT-UHFFFAOYSA-N 1 0 368.909 3.367 20 10 FGCDRO CCC1(O)CCC([NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000771874142 723744159 /nfs/dbraw/zinc/74/41/59/723744159.db2.gz IYHMVILUUKHXCA-UHFFFAOYSA-N 1 0 358.276 3.337 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773068507 723776000 /nfs/dbraw/zinc/77/60/00/723776000.db2.gz OKBVWTLZEIZJGD-CQSZACIVSA-N 1 0 350.459 3.016 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 ZINC000773082908 723776260 /nfs/dbraw/zinc/77/62/60/723776260.db2.gz XLXVXZWOBBPHLB-PXNSSMCTSA-N 1 0 362.539 3.308 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000797140933 723786132 /nfs/dbraw/zinc/78/61/32/723786132.db2.gz OSIYMDREVXLTRF-UPJWGTAASA-N 1 0 362.499 3.428 20 10 FGCDRO COc1cccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1O ZINC000798507252 723939126 /nfs/dbraw/zinc/93/91/26/723939126.db2.gz DRKPNSAVVFBZPE-OAHLLOKOSA-N 1 0 352.475 3.430 20 10 FGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775153371 723965391 /nfs/dbraw/zinc/96/53/91/723965391.db2.gz IHPVULZFTRZPGK-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1O ZINC000775482804 723994674 /nfs/dbraw/zinc/99/46/74/723994674.db2.gz BKJMLIKAWMWMDI-ROUUACIJSA-N 1 0 359.539 3.483 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000775832090 724068619 /nfs/dbraw/zinc/06/86/19/724068619.db2.gz XOHAKJKAAMKXTF-HIFRSBDPSA-N 1 0 357.420 3.204 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@]2(CO)CCc3ccccc32)c1O ZINC000776252137 724124218 /nfs/dbraw/zinc/12/42/18/724124218.db2.gz OBHUJEDNEJJZQC-SFHVURJKSA-N 1 0 362.267 3.387 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1 ZINC000776692816 724170913 /nfs/dbraw/zinc/17/09/13/724170913.db2.gz DNOZLUYXADNLIW-UONOGXRCSA-N 1 0 350.459 3.231 20 10 FGCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(F)(F)F ZINC000777011275 724205955 /nfs/dbraw/zinc/20/59/55/724205955.db2.gz MQQXUUCCGPUFAB-NHYWBVRUSA-N 1 0 366.811 3.405 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)[C@@H](O)CO2 ZINC000800865018 724239620 /nfs/dbraw/zinc/23/96/20/724239620.db2.gz WRABIVJPRPWDEG-GOEBONIOSA-N 1 0 357.372 3.373 20 10 FGCDRO C[C@@H]1CC(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)O1 ZINC000801732424 724328809 /nfs/dbraw/zinc/32/88/09/724328809.db2.gz KHKCWYVNGKEFMT-HZPDHXFCSA-N 1 0 350.478 3.346 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785988834 724953412 /nfs/dbraw/zinc/95/34/12/724953412.db2.gz PDOKXGWWNAHMRC-MISXGVKJSA-N 1 0 358.276 3.145 20 10 FGCDRO Fc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000786818511 725001928 /nfs/dbraw/zinc/00/19/28/725001928.db2.gz GVFLDDITVYEXOZ-UHFFFAOYSA-N 1 0 350.384 3.273 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1O)[C@@H]1CCCO1 ZINC000788622312 725076445 /nfs/dbraw/zinc/07/64/45/725076445.db2.gz AMWNIRNISMDBQM-CQDKDKBSSA-N 1 0 358.276 3.308 20 10 FGCDRO C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788817214 725089551 /nfs/dbraw/zinc/08/95/51/725089551.db2.gz XWCMHBSHVSUIGR-CYBMUJFWSA-N 1 0 359.436 3.088 20 10 FGCDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808685511 725213436 /nfs/dbraw/zinc/21/34/36/725213436.db2.gz SMIRUAQRSOBDGV-CYBMUJFWSA-N 1 0 362.857 3.443 20 10 FGCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701370 725260458 /nfs/dbraw/zinc/26/04/58/725260458.db2.gz XIPLUQOIYXVNGX-FUHWJXTLSA-N 1 0 350.478 3.178 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2cc(Br)ccc2O)cc1OC ZINC000809713665 725261573 /nfs/dbraw/zinc/26/15/73/725261573.db2.gz WYCBWQSBBYPDOH-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO CCN(C)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000809712920 725261666 /nfs/dbraw/zinc/26/16/66/725261666.db2.gz GNHUOBGWFHULFZ-UHFFFAOYSA-N 1 0 350.260 3.296 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000809767539 725266643 /nfs/dbraw/zinc/26/66/43/725266643.db2.gz NMAVSKLBASQPBT-CJNGLKHVSA-N 1 0 353.304 3.379 20 10 FGCDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2c(O)cccc2Cl)cc1OC ZINC000810174025 725294671 /nfs/dbraw/zinc/29/46/71/725294671.db2.gz NWLRLMLAHUQEFQ-LJQANCHMSA-N 1 0 365.857 3.146 20 10 FGCDRO CCCN(Cc1ccccc1O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000812550182 725399955 /nfs/dbraw/zinc/39/99/55/725399955.db2.gz TVRZKBXPIHOYFY-UHFFFAOYSA-N 1 0 365.543 3.141 20 10 FGCDRO COc1cc(Cl)cc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1O ZINC000812778040 726809793 /nfs/dbraw/zinc/80/97/93/726809793.db2.gz GBTVLPGRHSQNMU-KRWDZBQOSA-N 1 0 362.857 3.233 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000814176853 726945111 /nfs/dbraw/zinc/94/51/11/726945111.db2.gz WEXLVDJXEQSAAU-BBRMVZONSA-N 1 0 350.434 3.363 20 10 FGCDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)c(F)c1 ZINC000814177939 726945175 /nfs/dbraw/zinc/94/51/75/726945175.db2.gz WBTKCZGZPYECQB-AWEZNQCLSA-N 1 0 358.182 3.256 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Br)c(F)cc1[O-] ZINC000817987845 727290768 /nfs/dbraw/zinc/29/07/68/727290768.db2.gz YUBSVTJOJBIEMO-IRCOFANPSA-N 1 0 357.267 3.333 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)C2)cc1 ZINC000818219246 727301982 /nfs/dbraw/zinc/30/19/82/727301982.db2.gz AYDUUYCCHTZWOQ-CPUCHLNUSA-N 1 0 358.404 3.221 20 10 FGCDRO O[C@H](C[NH2+]CCCSc1nccs1)COc1ccccc1Cl ZINC000819062731 727343720 /nfs/dbraw/zinc/34/37/20/727343720.db2.gz IRDFVDDGJCWSQI-GFCCVEGCSA-N 1 0 358.916 3.308 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cc2Cl)C1 ZINC000819289606 727364748 /nfs/dbraw/zinc/36/47/48/727364748.db2.gz FTLFKGZOGVJGCV-QAPCUYQASA-N 1 0 365.949 3.121 20 10 FGCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819290551 727364926 /nfs/dbraw/zinc/36/49/26/727364926.db2.gz IMHJKRNHYOUHBQ-RDJZCZTQSA-N 1 0 354.922 3.453 20 10 FGCDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823423972 729279267 /nfs/dbraw/zinc/27/92/67/729279267.db2.gz QAGCGEZSMZPCIG-UHFFFAOYSA-N 1 0 357.523 3.485 20 10 FGCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000823666727 729297366 /nfs/dbraw/zinc/29/73/66/729297366.db2.gz QQOFBGXNGPHDNE-LRDDRELGSA-N 1 0 360.445 3.383 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000824181591 729322934 /nfs/dbraw/zinc/32/29/34/729322934.db2.gz TZDQMTOCCWXGOM-FQEVSTJZSA-N 1 0 358.507 3.376 20 10 FGCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824326960 729330663 /nfs/dbraw/zinc/33/06/63/729330663.db2.gz PSVIZVFMQKEQBI-FQEVSTJZSA-N 1 0 357.523 3.343 20 10 FGCDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824632426 729351809 /nfs/dbraw/zinc/35/18/09/729351809.db2.gz JIKUGHOKVKVYMD-UHFFFAOYSA-N 1 0 369.303 3.235 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000824636930 729352075 /nfs/dbraw/zinc/35/20/75/729352075.db2.gz VEJYBJXYJWFFDC-CJNGLKHVSA-N 1 0 357.401 3.079 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1F ZINC000824654666 729353216 /nfs/dbraw/zinc/35/32/16/729353216.db2.gz PPNHKMDEMGJIGC-HLIPFELVSA-N 1 0 350.478 3.034 20 10 FGCDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000824845014 729361805 /nfs/dbraw/zinc/36/18/05/729361805.db2.gz GRDKPMCUSZYUIY-PXNSSMCTSA-N 1 0 352.494 3.041 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCSC[C@H]2C2CC2)c1O ZINC000824914326 729364976 /nfs/dbraw/zinc/36/49/76/729364976.db2.gz PIJWFEPXZXGYMT-ZDUSSCGKSA-N 1 0 358.301 3.491 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1O)Cc1ccccc1 ZINC000825138705 729372562 /nfs/dbraw/zinc/37/25/62/729372562.db2.gz UFELXNIVMNGQRX-AWEZNQCLSA-N 1 0 350.256 3.096 20 10 FGCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)c2ccccc2Br)c1 ZINC000825305533 729378030 /nfs/dbraw/zinc/37/80/30/729378030.db2.gz MOVBFGAMXAGAFV-KRWDZBQOSA-N 1 0 366.255 3.329 20 10 FGCDRO COC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000825321515 729378679 /nfs/dbraw/zinc/37/86/79/729378679.db2.gz GDZPCVHTDXDEFK-GFCCVEGCSA-N 1 0 358.276 3.412 20 10 FGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825326437 729378938 /nfs/dbraw/zinc/37/89/38/729378938.db2.gz PXSQIZUFUPUAGO-YRVVQQKDSA-N 1 0 360.317 3.324 20 10 FGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000825412405 729382336 /nfs/dbraw/zinc/38/23/36/729382336.db2.gz JLAGEYBLDDRNNQ-KRWDZBQOSA-N 1 0 366.230 3.387 20 10 FGCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825955367 729400895 /nfs/dbraw/zinc/40/08/95/729400895.db2.gz LGDQMQZNNBZXAN-GOSISDBHSA-N 1 0 362.267 3.291 20 10 FGCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000826122961 729405637 /nfs/dbraw/zinc/40/56/37/729405637.db2.gz AITYAPPMWHNHBW-HNNXBMFYSA-N 1 0 367.287 3.132 20 10 FGCDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266270 729700803 /nfs/dbraw/zinc/70/08/03/729700803.db2.gz DLZMNCWWRFLFBL-LIRRHRJNSA-N 1 0 359.901 3.401 20 10 FGCDRO CCOc1cc(Cl)ccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267364 729701062 /nfs/dbraw/zinc/70/10/62/729701062.db2.gz RDJHAGVKNAZCMY-QGZVFWFLSA-N 1 0 361.873 3.235 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)ccc1O ZINC000834828213 729837458 /nfs/dbraw/zinc/83/74/58/729837458.db2.gz QPLMBLNEQMTVLY-NEPJUHHUSA-N 1 0 351.855 3.267 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)ccc1O ZINC000834828215 729837625 /nfs/dbraw/zinc/83/76/25/729837625.db2.gz QPLMBLNEQMTVLY-NWDGAFQWSA-N 1 0 351.855 3.267 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(Br)ccc1O ZINC000834849639 729838963 /nfs/dbraw/zinc/83/89/63/729838963.db2.gz DMEXVTKSLZQGCM-HOCLYGCPSA-N 1 0 371.319 3.042 20 10 FGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1(C)C ZINC000840759850 730170347 /nfs/dbraw/zinc/17/03/47/730170347.db2.gz OKZAOXOCWTYIEA-IRXDYDNUSA-N 1 0 354.441 3.095 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000840760792 730170580 /nfs/dbraw/zinc/17/05/80/730170580.db2.gz FTZKFJXPNRKLIX-SFHVURJKSA-N 1 0 354.441 3.096 20 10 FGCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000840888851 730188472 /nfs/dbraw/zinc/18/84/72/730188472.db2.gz DGRWTMYLWAFCFP-DTWKUNHWSA-N 1 0 363.683 3.372 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c(Cl)c1 ZINC000840892327 730188910 /nfs/dbraw/zinc/18/89/10/730188910.db2.gz QYPIZFNCFFKJBR-LLVKDONJSA-N 1 0 357.784 3.162 20 10 FGCDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1C ZINC000840906972 730189716 /nfs/dbraw/zinc/18/97/16/730189716.db2.gz YQMSYMKLBUEUEX-CQSZACIVSA-N 1 0 350.413 3.089 20 10 FGCDRO COc1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000841040018 730205286 /nfs/dbraw/zinc/20/52/86/730205286.db2.gz GSNKLCXKFWARBV-QGZVFWFLSA-N 1 0 363.889 3.213 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(F)c(Br)c2)cc1 ZINC000841039927 730205465 /nfs/dbraw/zinc/20/54/65/730205465.db2.gz FADAMYIGSSYKMQ-KRWDZBQOSA-N 1 0 366.278 3.444 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841087434 730209211 /nfs/dbraw/zinc/20/92/11/730209211.db2.gz NMTMPLFWHSLBOU-CJNGLKHVSA-N 1 0 353.304 3.427 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1O ZINC000841751947 730270780 /nfs/dbraw/zinc/27/07/80/730270780.db2.gz OZNWIBCINUYIPR-JOYOIKCWSA-N 1 0 350.768 3.250 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)ccc1O ZINC000841761363 730271588 /nfs/dbraw/zinc/27/15/88/730271588.db2.gz JJIYDDPOVUYUFC-GFCCVEGCSA-N 1 0 372.303 3.373 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841763745 730271757 /nfs/dbraw/zinc/27/17/57/730271757.db2.gz AJIJKRWYZCVTOM-ZYHUDNBSSA-N 1 0 363.246 3.453 20 10 FGCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841895331 730283668 /nfs/dbraw/zinc/28/36/68/730283668.db2.gz CMAOEYWJXKBNCT-ZFWWWQNUSA-N 1 0 352.910 3.113 20 10 FGCDRO Fc1cc(C[N@@H+]2CCSC[C@@H]2C2CCC2)ccc1N1CCOCC1 ZINC000841894619 730283795 /nfs/dbraw/zinc/28/37/95/730283795.db2.gz ZZARCQXDFYLIJO-LJQANCHMSA-N 1 0 350.503 3.380 20 10 FGCDRO Cc1cc(Br)cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843045462 730573535 /nfs/dbraw/zinc/57/35/35/730573535.db2.gz RXZREAYQDXRRHC-XJKSGUPXSA-N 1 0 353.304 3.427 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843126596 730588760 /nfs/dbraw/zinc/58/87/60/730588760.db2.gz LBUBYAAGNGEDOE-OLZOCXBDSA-N 1 0 353.850 3.165 20 10 FGCDRO C[C@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)c1ccccc1Cl ZINC000843350875 730609451 /nfs/dbraw/zinc/60/94/51/730609451.db2.gz ZYGMBWHKSPFCHD-AWEZNQCLSA-N 1 0 357.885 3.429 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000843350503 730609478 /nfs/dbraw/zinc/60/94/78/730609478.db2.gz TUVKAADMYCSWPW-UHFFFAOYSA-N 1 0 354.841 3.400 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])c1O ZINC000844902266 730787070 /nfs/dbraw/zinc/78/70/70/730787070.db2.gz OHTKCDRZCLDSTJ-RISCZKNCSA-N 1 0 357.292 3.113 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000845973390 730913678 /nfs/dbraw/zinc/91/36/78/730913678.db2.gz ZRCOVUPOGWIPGM-ZDUSSCGKSA-N 1 0 350.459 3.356 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@](O)(c3ccc(Cl)cc3)C1)OCO2 ZINC000846009558 730918065 /nfs/dbraw/zinc/91/80/65/730918065.db2.gz CWHLFPKNYQCCBI-IBGZPJMESA-N 1 0 361.825 3.258 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1O ZINC000846145193 730932105 /nfs/dbraw/zinc/93/21/05/730932105.db2.gz PAOKCGGFTCKBFY-HNNXBMFYSA-N 1 0 363.479 3.057 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846162068 730932930 /nfs/dbraw/zinc/93/29/30/730932930.db2.gz ADRWKPDIESAIEG-HUUCEWRRSA-N 1 0 363.479 3.222 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccnc2C)c1O ZINC000848522238 731174553 /nfs/dbraw/zinc/17/45/53/731174553.db2.gz WJIMMZVZHSUILU-NSHDSACASA-N 1 0 368.275 3.409 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCCC2)c1O ZINC000848519763 731174853 /nfs/dbraw/zinc/17/48/53/731174853.db2.gz UILQVCXHZIHLTC-GFCCVEGCSA-N 1 0 357.292 3.300 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1O ZINC000848529178 731175945 /nfs/dbraw/zinc/17/59/45/731175945.db2.gz LADUFVOELQHBHH-ZJUUUORDSA-N 1 0 354.248 3.309 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000848531504 731176244 /nfs/dbraw/zinc/17/62/44/731176244.db2.gz PHQDZAQJGWRZKR-RYUDHWBXSA-N 1 0 357.292 3.156 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1O ZINC000848534145 731176906 /nfs/dbraw/zinc/17/69/06/731176906.db2.gz YAPUYQKTHRQPMY-WCQYABFASA-N 1 0 374.275 3.010 20 10 FGCDRO Cn1c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnc1Cl ZINC000848536761 731177637 /nfs/dbraw/zinc/17/76/37/731177637.db2.gz VBXKUEKTTOLNRI-CQSZACIVSA-N 1 0 369.296 3.187 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)[C@H]1CCCO1 ZINC000848549011 731179882 /nfs/dbraw/zinc/17/98/82/731179882.db2.gz IXSJAASBOPMAND-LEWSCRJBSA-N 1 0 374.275 3.008 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000848568934 731183168 /nfs/dbraw/zinc/18/31/68/731183168.db2.gz AWEAPWQCLDRKNC-JSGCOSHPSA-N 1 0 369.259 3.179 20 10 FGCDRO CCc1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1O ZINC000848907789 731219554 /nfs/dbraw/zinc/21/95/54/731219554.db2.gz IDZOYIYCIZWVAA-UHFFFAOYSA-N 1 0 352.276 3.484 20 10 FGCDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CO1 ZINC000850034197 731311604 /nfs/dbraw/zinc/31/16/04/731311604.db2.gz HPYFNJSFOYLJNJ-ZBFHGGJFSA-N 1 0 358.404 3.199 20 10 FGCDRO COc1cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000850100876 731319417 /nfs/dbraw/zinc/31/94/17/731319417.db2.gz RGIGQBCSGDGUMR-CYBMUJFWSA-N 1 0 360.420 3.425 20 10 FGCDRO Cc1ncc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1C ZINC000850116893 731321780 /nfs/dbraw/zinc/32/17/80/731321780.db2.gz QNAAQTLNKLUXTR-UHFFFAOYSA-N 1 0 350.413 3.089 20 10 FGCDRO COc1cc(C[NH2+]CCCCCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850252876 731335234 /nfs/dbraw/zinc/33/52/34/731335234.db2.gz XFLMCYMAKGEAOB-UHFFFAOYSA-N 1 0 357.516 3.003 20 10 FGCDRO O=[S@@](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)CC(F)(F)F ZINC000850347956 731345620 /nfs/dbraw/zinc/34/56/20/731345620.db2.gz BRTAFXYFZSRBAN-DEOSSOPVSA-N 1 0 357.397 3.460 20 10 FGCDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850353944 731346993 /nfs/dbraw/zinc/34/69/93/731346993.db2.gz QHTZIZUYSZYJAG-UHFFFAOYSA-N 1 0 352.494 3.329 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCc2cnccc2C)c1O ZINC000850355068 731347425 /nfs/dbraw/zinc/34/74/25/731347425.db2.gz CRJVMINJJBRNDN-UHFFFAOYSA-N 1 0 351.244 3.199 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](OC)C2CCCC2)c1O ZINC000850401092 731352644 /nfs/dbraw/zinc/35/26/44/731352644.db2.gz UOBCINLLBHNRNP-HNNXBMFYSA-N 1 0 358.276 3.458 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000850422524 731355561 /nfs/dbraw/zinc/35/55/61/731355561.db2.gz TVAKUAGUDUFXJP-GOSISDBHSA-N 1 0 363.571 3.083 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000850547170 731371623 /nfs/dbraw/zinc/37/16/23/731371623.db2.gz RSODGQXXBPYXDS-CUOATXAZSA-N 1 0 356.260 3.117 20 10 FGCDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000850553836 731372269 /nfs/dbraw/zinc/37/22/69/731372269.db2.gz DNOZLDQZYXQIPU-AAEUAGOBSA-N 1 0 357.292 3.298 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1 ZINC000852791257 731636063 /nfs/dbraw/zinc/63/60/63/731636063.db2.gz FKNMWDNJPKZEEZ-RYRKJORJSA-N 1 0 351.441 3.084 20 10 FGCDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1=CC(=O)CS1 ZINC000856169957 731990966 /nfs/dbraw/zinc/99/09/66/731990966.db2.gz WGPCSNQBZSZTRA-INIZCTEOSA-N 1 0 356.491 3.486 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000858088019 732178747 /nfs/dbraw/zinc/17/87/47/732178747.db2.gz XXMCWWKALBVDOF-UHFFFAOYSA-N 1 0 364.239 3.258 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1F ZINC000858106231 732181228 /nfs/dbraw/zinc/18/12/28/732181228.db2.gz HDRHFEQBUUJWFS-AWEZNQCLSA-N 1 0 352.400 3.111 20 10 FGCDRO C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000858483595 732219567 /nfs/dbraw/zinc/21/95/67/732219567.db2.gz TVTRAFHTRNPAEL-OAHLLOKOSA-N 1 0 356.457 3.360 20 10 FGCDRO CC(=O)NCC1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000865417538 733195061 /nfs/dbraw/zinc/19/50/61/733195061.db2.gz OMJWCCKBMITJLU-UHFFFAOYSA-N 1 0 361.555 3.024 20 10 FGCDRO C[NH+]1CCC(n2cc(NCc3cc(Br)ccc3O)cn2)CC1 ZINC000865702957 733254382 /nfs/dbraw/zinc/25/43/82/733254382.db2.gz IGSJJHAYMHXCKC-UHFFFAOYSA-N 1 0 365.275 3.230 20 10 FGCDRO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(N(C)C)cc1 ZINC000872120967 735592897 /nfs/dbraw/zinc/59/28/97/735592897.db2.gz XBDUVLBJEOALQJ-DPGVMXDBSA-N 1 0 350.528 3.149 20 10 FGCDRO OCC1CCN(c2ccc(CNCc3nc(Cl)cs3)cc2)CC1 ZINC000876965290 736168156 /nfs/dbraw/zinc/16/81/56/736168156.db2.gz GELDHRWDFXXGPZ-UHFFFAOYSA-N 1 0 351.903 3.295 20 10 FGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645100 736698569 /nfs/dbraw/zinc/69/85/69/736698569.db2.gz AMVPIBUIHIFLFY-MRXNPFEDSA-N 1 0 363.255 3.341 20 10 FGCDRO CCN(C)c1ccc(Cn2cc([C@H]([NH3+])c3ccc(Cl)cc3)nn2)cc1 ZINC000881313282 737323650 /nfs/dbraw/zinc/32/36/50/737323650.db2.gz GYDHKMHRIVNDHN-LJQANCHMSA-N 1 0 355.873 3.484 20 10 FGCDRO Cc1csc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 ZINC000884472773 737666258 /nfs/dbraw/zinc/66/62/58/737666258.db2.gz HURJBAMQGHOBDN-GUYCJALGSA-N 1 0 360.479 3.038 20 10 FGCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886324904 739244169 /nfs/dbraw/zinc/24/41/69/739244169.db2.gz LIVAYBYXASVGNF-UHFFFAOYSA-N 1 0 357.523 3.302 20 10 FGCDRO CC[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000886670583 739281084 /nfs/dbraw/zinc/28/10/84/739281084.db2.gz ROSQHKHCXQUTCE-YDHLFZDLSA-N 1 0 358.276 3.125 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCSCC1 ZINC000886748995 739290975 /nfs/dbraw/zinc/29/09/75/739290975.db2.gz GBGLKJWJCWGQHX-HNNXBMFYSA-N 1 0 361.555 3.010 20 10 FGCDRO CCC1([NH+]2CCC2)CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000888565280 739545290 /nfs/dbraw/zinc/54/52/90/739545290.db2.gz CTAHTIASVVOQQZ-UHFFFAOYSA-N 1 0 368.572 3.285 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C)(O)CC3)cc2F)C[C@@H](C)O1 ZINC000892620529 740023652 /nfs/dbraw/zinc/02/36/52/740023652.db2.gz BJEIIISVIJQIDR-LVGGZARRSA-N 1 0 350.478 3.223 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H]3C[C@@]3(C)Br)C2)cc1 ZINC000895006082 742362946 /nfs/dbraw/zinc/36/29/46/742362946.db2.gz KLFMGMFEHWBYAM-JKIFEVAISA-N 1 0 353.304 3.285 20 10 FGCDRO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000896968611 742624178 /nfs/dbraw/zinc/62/41/78/742624178.db2.gz IWZHKRCNDNROAX-SNVBAGLBSA-N 1 0 352.843 3.278 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(N2CCOCC2)cc1 ZINC000903180538 743818238 /nfs/dbraw/zinc/81/82/38/743818238.db2.gz DYRWITVWZQEBSD-IAOVAPTHSA-N 1 0 358.404 3.284 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1O ZINC000903481350 743855868 /nfs/dbraw/zinc/85/58/68/743855868.db2.gz ZJNKLGQLKGLDNR-MWLCHTKSSA-N 1 0 354.223 3.156 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1O ZINC000903481348 743855996 /nfs/dbraw/zinc/85/59/96/743855996.db2.gz ZJNKLGQLKGLDNR-GXSJLCMTSA-N 1 0 354.223 3.156 20 10 FGCDRO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC000903956089 743905468 /nfs/dbraw/zinc/90/54/68/743905468.db2.gz GROIUCUPDISNBZ-LBPRGKRZSA-N 1 0 351.363 3.106 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(F)c(C(F)F)c2)cc1 ZINC000911666712 757201786 /nfs/dbraw/zinc/20/17/86/757201786.db2.gz KZTZCSKGZUHEOY-MRXNPFEDSA-N 1 0 351.372 3.259 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000922672794 758973537 /nfs/dbraw/zinc/97/35/37/758973537.db2.gz GVSPVAAVPXDWRR-UHFFFAOYSA-N 1 0 366.211 3.182 20 10 FGCDRO FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922698568 758985207 /nfs/dbraw/zinc/98/52/07/758985207.db2.gz YGFSENCFDOYASQ-DLBZAZTESA-N 1 0 358.404 3.113 20 10 FGCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000923010349 759049850 /nfs/dbraw/zinc/04/98/50/759049850.db2.gz OLLHXIJKLFOTHR-MAEOIBBWSA-N 1 0 362.267 3.337 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000926909281 759844082 /nfs/dbraw/zinc/84/40/82/759844082.db2.gz AACHHUPVEJWTPH-CQSZACIVSA-N 1 0 363.479 3.088 20 10 FGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(Br)ccc1O ZINC000927059269 759883663 /nfs/dbraw/zinc/88/36/63/759883663.db2.gz APKFKVRDQOTXRD-LHAJWOIZSA-N 1 0 356.260 3.488 20 10 FGCDRO COc1cccc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1O ZINC000068980467 493902408 /nfs/dbraw/zinc/90/24/08/493902408.db2.gz LWUJSSKOFHQSLA-UHFFFAOYSA-N 1 0 359.813 3.437 20 10 FGCDRO Cc1ncsc1C(=O)NC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000050924652 493938622 /nfs/dbraw/zinc/93/86/22/493938622.db2.gz JSZDVFADGDMFLM-UHFFFAOYSA-N 1 0 359.495 3.168 20 10 FGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)no1 ZINC000052084265 494004043 /nfs/dbraw/zinc/00/40/43/494004043.db2.gz TYUMIMZULGIUNN-UHFFFAOYSA-N 1 0 365.433 3.236 20 10 FGCDRO C[C@H](Sc1nccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000052914397 494075814 /nfs/dbraw/zinc/07/58/14/494075814.db2.gz OGTMMXDAYMGDQA-AWEZNQCLSA-N 1 0 361.536 3.405 20 10 FGCDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1 ZINC000073541768 494387239 /nfs/dbraw/zinc/38/72/39/494387239.db2.gz CLZLKJCRAJBZHJ-UHFFFAOYSA-N 1 0 371.481 3.242 20 10 FGCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000047366971 494690604 /nfs/dbraw/zinc/69/06/04/494690604.db2.gz GHPJFIQLNMJCBP-UHFFFAOYSA-N 1 0 368.481 3.116 20 10 FGCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1O ZINC000092939032 494792169 /nfs/dbraw/zinc/79/21/69/494792169.db2.gz LZZQBJQRKMMGKR-UHFFFAOYSA-N 1 0 356.422 3.108 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000093455069 494892787 /nfs/dbraw/zinc/89/27/87/494892787.db2.gz WXMLUMHUYYDMGD-HXUWFJFHSA-N 1 0 356.514 3.212 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103317149 495219235 /nfs/dbraw/zinc/21/92/35/495219235.db2.gz RSEITVUTRTZGNR-UHFFFAOYSA-N 1 0 371.481 3.064 20 10 FGCDRO O=C(CN1CCC([NH2+]Cc2c(O)cccc2Cl)CC1)Nc1ccccc1 ZINC000113319290 495296614 /nfs/dbraw/zinc/29/66/14/495296614.db2.gz IVXIIEIAOSGHSR-UHFFFAOYSA-N 1 0 373.884 3.238 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCc1nc(-c3cccc(Cl)c3)no1)OCO2 ZINC000114772973 495423087 /nfs/dbraw/zinc/42/30/87/495423087.db2.gz CLOSUFLIBYXCFR-UHFFFAOYSA-N 1 0 373.796 3.157 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130883892 495460879 /nfs/dbraw/zinc/46/08/79/495460879.db2.gz RULRVAXMBWYJFE-AWEZNQCLSA-N 1 0 372.444 3.004 20 10 FGCDRO COc1ccc(O)c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179766864 495726797 /nfs/dbraw/zinc/72/67/97/495726797.db2.gz QSYZMSONHJLSGY-UHFFFAOYSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1ccc(O)c(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1 ZINC000179817747 495746964 /nfs/dbraw/zinc/74/69/64/495746964.db2.gz DVUGVCGGCRRNCG-SFHVURJKSA-N 1 0 351.406 3.392 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882745 495769749 /nfs/dbraw/zinc/76/97/49/495769749.db2.gz RQQQHKOORUQETB-LBPRGKRZSA-N 1 0 368.886 3.194 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000183046185 495812184 /nfs/dbraw/zinc/81/21/84/495812184.db2.gz CPOBHEKORKIRPU-KGLIPLIRSA-N 1 0 350.413 3.341 20 10 FGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151534445 495870248 /nfs/dbraw/zinc/87/02/48/495870248.db2.gz KGVATVRVKVZYLN-LJQANCHMSA-N 1 0 372.484 3.134 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)n1-c1ccccn1 ZINC000174547923 496003943 /nfs/dbraw/zinc/00/39/43/496003943.db2.gz KDJCNZQBXBOVNX-IBGZPJMESA-N 1 0 366.509 3.437 20 10 FGCDRO OCc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000174621699 496035879 /nfs/dbraw/zinc/03/58/79/496035879.db2.gz FWIQFHPUAJTUAB-ZDUSSCGKSA-N 1 0 352.381 3.132 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000180676957 496100799 /nfs/dbraw/zinc/10/07/99/496100799.db2.gz XPFYTZLAGCUCDV-XBXARRHUSA-N 1 0 370.424 3.031 20 10 FGCDRO Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1O ZINC000180820398 496158450 /nfs/dbraw/zinc/15/84/50/496158450.db2.gz TXGFDTNXDWWJTM-UHFFFAOYSA-N 1 0 362.495 3.019 20 10 FGCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1O)CC2 ZINC000187146804 496313014 /nfs/dbraw/zinc/31/30/14/496313014.db2.gz QAJMOFWVDJIMQT-GWCFXTLKSA-N 1 0 365.275 3.029 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Br)ccc1O ZINC000156735424 496323275 /nfs/dbraw/zinc/32/32/75/496323275.db2.gz SXHQJOSSYKMBTQ-TZMCWYRMSA-N 1 0 350.260 3.476 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000184682190 496491140 /nfs/dbraw/zinc/49/11/40/496491140.db2.gz MEWXDDBBWOAWBM-UHFFFAOYSA-N 1 0 366.889 3.279 20 10 FGCDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000164705722 496628553 /nfs/dbraw/zinc/62/85/53/496628553.db2.gz JOCJRZGANCBQEG-INIZCTEOSA-N 1 0 360.477 3.298 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185122665 496669438 /nfs/dbraw/zinc/66/94/38/496669438.db2.gz ZYCUXAFZOWEQEN-NEPJUHHUSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268757559 496776443 /nfs/dbraw/zinc/77/64/43/496776443.db2.gz MBEQCVBAJYVAGY-IRXDYDNUSA-N 1 0 350.528 3.152 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1C ZINC000247093332 496777333 /nfs/dbraw/zinc/77/73/33/496777333.db2.gz OFCKUHNVTKOQAV-OAGGEKHMSA-N 1 0 353.457 3.329 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cc2F)C[C@H](C)O1 ZINC000268782274 496783547 /nfs/dbraw/zinc/78/35/47/496783547.db2.gz DKGKCUSRIUPPAR-ZRGWGRIASA-N 1 0 372.488 3.340 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000273396466 496793857 /nfs/dbraw/zinc/79/38/57/496793857.db2.gz LYXGLCVCKIGCKY-CYBMUJFWSA-N 1 0 353.871 3.311 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273585200 496846743 /nfs/dbraw/zinc/84/67/43/496846743.db2.gz NQATVXZZVYJDHG-OLZOCXBDSA-N 1 0 366.458 3.193 20 10 FGCDRO COCCOCCOCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000274645486 497136115 /nfs/dbraw/zinc/13/61/15/497136115.db2.gz KPQVRLFHSDSGPQ-LJQANCHMSA-N 1 0 364.530 3.397 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1O ZINC000274742013 497155197 /nfs/dbraw/zinc/15/51/97/497155197.db2.gz AHXKCYLSXQUFBJ-KBXCAEBGSA-N 1 0 362.495 3.444 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccccc1O ZINC000274892477 497192905 /nfs/dbraw/zinc/19/29/05/497192905.db2.gz JQARYDYIKNXQIG-FQEVSTJZSA-N 1 0 367.493 3.021 20 10 FGCDRO COc1c([O-])c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000278831451 497235950 /nfs/dbraw/zinc/23/59/50/497235950.db2.gz ITEHJKKDEMQJJB-UHFFFAOYSA-N 1 0 373.453 3.439 20 10 FGCDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c(C)n1-c1ccccn1 ZINC000237847644 497301435 /nfs/dbraw/zinc/30/14/35/497301435.db2.gz RCFLTIPIDUQSGM-UHFFFAOYSA-N 1 0 352.482 3.093 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754751 497439756 /nfs/dbraw/zinc/43/97/56/497439756.db2.gz CPBOMBPOULOZPQ-XJKSGUPXSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754747 497439869 /nfs/dbraw/zinc/43/98/69/497439869.db2.gz CPBOMBPOULOZPQ-CJNGLKHVSA-N 1 0 350.459 3.136 20 10 FGCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000279771297 497536310 /nfs/dbraw/zinc/53/63/10/497536310.db2.gz STWYPQQKIFIMCW-DLBZAZTESA-N 1 0 359.491 3.390 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000276291382 497536917 /nfs/dbraw/zinc/53/69/17/497536917.db2.gz OJLMPKHKMAGZHH-UHFFFAOYSA-N 1 0 368.525 3.198 20 10 FGCDRO C=Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000194225171 497606989 /nfs/dbraw/zinc/60/69/89/497606989.db2.gz OKPAZOOGFZJNEV-UHFFFAOYSA-N 1 0 366.387 3.129 20 10 FGCDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272521912 497650732 /nfs/dbraw/zinc/65/07/32/497650732.db2.gz NSSYCBXLNKIFPB-MJGOQNOKSA-N 1 0 367.493 3.444 20 10 FGCDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856244 497832100 /nfs/dbraw/zinc/83/21/00/497832100.db2.gz BONKDQHBZACGQH-QMMLZNLJSA-N 1 0 372.509 3.075 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000364259644 497866606 /nfs/dbraw/zinc/86/66/06/497866606.db2.gz HFJVFKLPHWIQDZ-SFHVURJKSA-N 1 0 358.438 3.357 20 10 FGCDRO O=C(Nc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1)[C@H]1CCCO1 ZINC000296192984 497951310 /nfs/dbraw/zinc/95/13/10/497951310.db2.gz YRJASTGONKIZSE-PKOBYXMFSA-N 1 0 352.434 3.287 20 10 FGCDRO Nc1nc(Cl)cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301209397 498001194 /nfs/dbraw/zinc/00/11/94/498001194.db2.gz SUKDBYMZDDYFAG-GFCCVEGCSA-N 1 0 368.268 3.148 20 10 FGCDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000281214501 498059164 /nfs/dbraw/zinc/05/91/64/498059164.db2.gz LDAJAMCTEPZQDZ-HXUWFJFHSA-N 1 0 356.441 3.448 20 10 FGCDRO CCN1CCC[C@@H](C[N@H+](C)Cc2cccc(OC)c2O)[C@@H]1c1cnn(C)c1 ZINC000364717806 498110662 /nfs/dbraw/zinc/11/06/62/498110662.db2.gz RGGGIHRVNMXNPD-OXJNMPFZSA-N 1 0 372.513 3.039 20 10 FGCDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C[NH+](C)C ZINC000293171531 498294384 /nfs/dbraw/zinc/29/43/84/498294384.db2.gz MHLHUEGMQRBUDF-KGHZBTQCSA-N 1 0 367.453 3.354 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000297401044 498436175 /nfs/dbraw/zinc/43/61/75/498436175.db2.gz SKVIJEJYEPRYDN-KLHKWILBSA-N 1 0 352.544 3.397 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)ccc1OC ZINC000293755489 498478166 /nfs/dbraw/zinc/47/81/66/498478166.db2.gz XEORSVYPZZTLPI-HXUWFJFHSA-N 1 0 358.482 3.476 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc1OC ZINC000293796849 498492752 /nfs/dbraw/zinc/49/27/52/498492752.db2.gz CXYATPDNSQWKOH-FQEVSTJZSA-N 1 0 357.450 3.403 20 10 FGCDRO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCc4cccc(O)c43)CC2)oc1C ZINC000297955404 498621711 /nfs/dbraw/zinc/62/17/11/498621711.db2.gz YYMWEBHWNPEPQV-GOSISDBHSA-N 1 0 355.482 3.486 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC000291064817 498779879 /nfs/dbraw/zinc/77/98/79/498779879.db2.gz QCGYNWNIHVXOOX-UHFFFAOYSA-N 1 0 362.470 3.376 20 10 FGCDRO CCN(CC)C(=[NH2+])NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363388461 498794051 /nfs/dbraw/zinc/79/40/51/498794051.db2.gz VKHAGDJACSRTHP-ZDUSSCGKSA-N 1 0 358.408 3.278 20 10 FGCDRO COC1CCN(c2ccc(CN3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)cc2)CC1 ZINC000295272089 498962658 /nfs/dbraw/zinc/96/26/58/498962658.db2.gz JPWVSQURICNSQY-RXVVDRJESA-N 1 0 357.542 3.360 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1cc2c(cc1O)CCCC2 ZINC000370373331 499214206 /nfs/dbraw/zinc/21/42/06/499214206.db2.gz IPMORLPBEIHGHB-BEFAXECRSA-N 1 0 365.477 3.231 20 10 FGCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1c1ccccc1 ZINC000367721118 499228065 /nfs/dbraw/zinc/22/80/65/499228065.db2.gz NJWREJOQOAJJDT-GGAORHGYSA-N 1 0 366.505 3.121 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000367896785 499242995 /nfs/dbraw/zinc/24/29/95/499242995.db2.gz PDQOCXWQBDAFBG-CXAGYDPISA-N 1 0 373.884 3.464 20 10 FGCDRO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370711142 499246913 /nfs/dbraw/zinc/24/69/13/499246913.db2.gz ODZNJYSNHBSSAA-DYVFJYSZSA-N 1 0 372.340 3.157 20 10 FGCDRO Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3c(O)ccc4ccccc43)C2)no1 ZINC000371375951 499316800 /nfs/dbraw/zinc/31/68/00/499316800.db2.gz WQNCUUHBEMKUDL-QGZVFWFLSA-N 1 0 366.465 3.333 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000371383861 499318501 /nfs/dbraw/zinc/31/85/01/499318501.db2.gz PUZPOBNDOOMUEQ-UHFFFAOYSA-N 1 0 374.485 3.005 20 10 FGCDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1O ZINC000371421704 499324861 /nfs/dbraw/zinc/32/48/61/499324861.db2.gz ZGTLAPDLUSNZDU-UHFFFAOYSA-N 1 0 358.413 3.391 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1 ZINC000371870961 499373756 /nfs/dbraw/zinc/37/37/56/499373756.db2.gz VYKSGGXJWOUPEA-CYBMUJFWSA-N 1 0 358.438 3.258 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(N(C)C)cc1 ZINC000369443258 499403881 /nfs/dbraw/zinc/40/38/81/499403881.db2.gz OFXVMEKFQXGRRA-CRAIPNDOSA-N 1 0 369.513 3.328 20 10 FGCDRO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1O ZINC000372364230 499425225 /nfs/dbraw/zinc/42/52/25/499425225.db2.gz FQCSDIKALGKBAX-MUJYYYPQSA-N 1 0 362.470 3.421 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608682 499479619 /nfs/dbraw/zinc/47/96/19/499479619.db2.gz LKFBIHAXUZEYCX-OLZOCXBDSA-N 1 0 361.467 3.269 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000377626108 499712372 /nfs/dbraw/zinc/71/23/72/499712372.db2.gz MXJZIRJVTLSVOR-YQQAZPJKSA-N 1 0 362.449 3.079 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000377691377 499720763 /nfs/dbraw/zinc/72/07/63/499720763.db2.gz DAGVYNLHLLVLDN-INIZCTEOSA-N 1 0 362.905 3.438 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000418097653 500229054 /nfs/dbraw/zinc/22/90/54/500229054.db2.gz KUIUSOZSEIKCRN-HXUWFJFHSA-N 1 0 368.525 3.406 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCCO2)C1 ZINC000435522816 500988159 /nfs/dbraw/zinc/98/81/59/500988159.db2.gz PQLSNYOQXWWTRA-KRWDZBQOSA-N 1 0 369.509 3.093 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000435614512 501002641 /nfs/dbraw/zinc/00/26/41/501002641.db2.gz FDTCPSBJENHOTJ-IRXDYDNUSA-N 1 0 369.509 3.044 20 10 FGCDRO CCCC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)C(=O)Nc1cc(C)on1 ZINC000481563913 501816357 /nfs/dbraw/zinc/81/63/57/501816357.db2.gz FJYROGHRDVZTSD-QGZVFWFLSA-N 1 0 368.481 3.492 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000475197534 502095390 /nfs/dbraw/zinc/09/53/90/502095390.db2.gz MNVGTVPTUDWMPP-UHFFFAOYSA-N 1 0 356.495 3.070 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000472229123 502276927 /nfs/dbraw/zinc/27/69/27/502276927.db2.gz KATMPDPTIRVJRT-SJLPKXTDSA-N 1 0 354.498 3.112 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000503364383 503394764 /nfs/dbraw/zinc/39/47/64/503394764.db2.gz CJPQYJFYAIIBON-WMZOPIPTSA-N 1 0 354.498 3.255 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000503364376 503395230 /nfs/dbraw/zinc/39/52/30/503395230.db2.gz CJPQYJFYAIIBON-AEFFLSMTSA-N 1 0 354.498 3.255 20 10 FGCDRO CC[N@@H+]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@H](C)C1 ZINC000553315681 504880797 /nfs/dbraw/zinc/88/07/97/504880797.db2.gz SPQPYJCPGHMSAG-OAHLLOKOSA-N 1 0 357.498 3.071 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1F ZINC000825878705 608507362 /nfs/dbraw/zinc/50/73/62/608507362.db2.gz BWKNQKIJNLXWCQ-SFHVURJKSA-N 1 0 366.444 3.239 20 10 FGCDRO CCC[N@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1O ZINC000069009971 695946388 /nfs/dbraw/zinc/94/63/88/695946388.db2.gz VXTKBCVERKYPHU-UHFFFAOYSA-N 1 0 362.495 3.055 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000113313419 700570690 /nfs/dbraw/zinc/57/06/90/700570690.db2.gz MGPHNFSXNZYZDP-GOSISDBHSA-N 1 0 364.848 3.348 20 10 FGCDRO COc1cc(Br)cc(CN2CC[NH+](C3CCCC3)CC2)c1O ZINC000126961677 700755161 /nfs/dbraw/zinc/75/51/61/700755161.db2.gz VDIPBKIGAFHEKV-UHFFFAOYSA-N 1 0 369.303 3.224 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCNc2cccc(C)n2)c1O ZINC000133478872 700838369 /nfs/dbraw/zinc/83/83/69/700838369.db2.gz MZVXPPXTZHHCQC-UHFFFAOYSA-N 1 0 366.259 3.068 20 10 FGCDRO O=C(CCC(F)(F)F)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134258619 704818012 /nfs/dbraw/zinc/81/80/12/704818012.db2.gz MGOKGYDNBNKLOJ-ZDUSSCGKSA-N 1 0 364.795 3.469 20 10 FGCDRO O=C(Cc1ccsc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134264140 704818267 /nfs/dbraw/zinc/81/82/67/704818267.db2.gz ANWTZKDKZVKXJS-INIZCTEOSA-N 1 0 364.898 3.430 20 10 FGCDRO Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000134263051 704818463 /nfs/dbraw/zinc/81/84/63/704818463.db2.gz JMAMQNOZGOSGFV-KRWDZBQOSA-N 1 0 359.857 3.143 20 10 FGCDRO O=C(CCc1ccoc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134266543 704818522 /nfs/dbraw/zinc/81/85/22/704818522.db2.gz XPJIAUZCZOQLFP-KRWDZBQOSA-N 1 0 362.857 3.352 20 10 FGCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000153280079 704991544 /nfs/dbraw/zinc/99/15/44/704991544.db2.gz QHJRWKKDUCEHRU-CQSZACIVSA-N 1 0 356.561 3.045 20 10 FGCDRO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000159918007 705238144 /nfs/dbraw/zinc/23/81/44/705238144.db2.gz COLJFNFIDORQQO-OAHLLOKOSA-N 1 0 350.459 3.198 20 10 FGCDRO C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)CC(C)(C)S(C)(=O)=O ZINC000161019291 705266884 /nfs/dbraw/zinc/26/68/84/705266884.db2.gz KVOFHZDJFSOTDZ-UHFFFAOYSA-N 1 0 365.495 3.272 20 10 FGCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000174642880 705512027 /nfs/dbraw/zinc/51/20/27/705512027.db2.gz LQBZWGGBYBHTNE-UHFFFAOYSA-N 1 0 363.841 3.320 20 10 FGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000182676474 705856355 /nfs/dbraw/zinc/85/63/55/705856355.db2.gz YDLOMOXZUPHWTG-MRXNPFEDSA-N 1 0 352.544 3.368 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000184307501 705928586 /nfs/dbraw/zinc/92/85/86/705928586.db2.gz KEMZUMLFBIHRHL-SNVBAGLBSA-N 1 0 350.346 3.308 20 10 FGCDRO CC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)NC(=O)OC(C)(C)C ZINC000302120567 713783061 /nfs/dbraw/zinc/78/30/61/713783061.db2.gz UKVMQNXVPDQCHZ-CYBMUJFWSA-N 1 0 358.866 3.447 20 10 FGCDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000378920842 713975227 /nfs/dbraw/zinc/97/52/27/713975227.db2.gz PEUCQMRNSCCUTM-UHFFFAOYSA-N 1 0 369.303 3.281 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756765050 722969766 /nfs/dbraw/zinc/96/97/66/722969766.db2.gz NDAGJCPZXXFPRK-JBBXEZCESA-N 1 0 354.441 3.089 20 10 FGCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000769528418 723689042 /nfs/dbraw/zinc/68/90/42/723689042.db2.gz QBFJCQAQBICKKL-HNNXBMFYSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)c2ccsc2)c1O ZINC000769933355 723701332 /nfs/dbraw/zinc/70/13/32/723701332.db2.gz KNGYNLLHYSVDQH-LBPRGKRZSA-N 1 0 358.257 3.048 20 10 FGCDRO O=C(C[NH2+]Cc1cc(Br)ccc1O)Nc1ccc(F)c(F)c1 ZINC000725842015 722424622 /nfs/dbraw/zinc/42/46/22/722424622.db2.gz WUFRWPBKSAJSNQ-UHFFFAOYSA-N 1 0 371.181 3.161 20 10 FGCDRO Oc1ccccc1C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000725845071 722424675 /nfs/dbraw/zinc/42/46/75/722424675.db2.gz INMZXIBUNJPIME-UHFFFAOYSA-N 1 0 356.735 3.397 20 10 FGCDRO COc1ccc(N2CCC[N@H+](CC[S@@](=O)c3ccccc3)CC2)cc1 ZINC000729473445 722459791 /nfs/dbraw/zinc/45/97/91/722459791.db2.gz DMRUGCQTLFZBBZ-RUZDIDTESA-N 1 0 358.507 3.015 20 10 FGCDRO O=C(Nc1cccnc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731851995 722478572 /nfs/dbraw/zinc/47/85/72/722478572.db2.gz JCGXHKVFOPEUJT-INIZCTEOSA-N 1 0 360.845 3.227 20 10 FGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncnc3[nH]ccc32)C1 ZINC000732049032 722481006 /nfs/dbraw/zinc/48/10/06/722481006.db2.gz LUOLGICTBLZHLI-AWEZNQCLSA-N 1 0 357.845 3.393 20 10 FGCDRO O=C1[C@H]([N@H+](Cc2ccccc2O)C2CCCC2)CCN1CC(F)(F)F ZINC000732204546 722482385 /nfs/dbraw/zinc/48/23/85/722482385.db2.gz MNDSVDYZCGWKJB-OAHLLOKOSA-N 1 0 356.388 3.300 20 10 FGCDRO COc1cc(C[NH2+]Cc2cccc(OC)c2O)c(Br)cc1O ZINC000733900719 722502089 /nfs/dbraw/zinc/50/20/89/722502089.db2.gz CNVMFLIBJBUMSI-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO CC(C)(C)[S@@](=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084998 722512564 /nfs/dbraw/zinc/51/25/64/722512564.db2.gz GNYRTNFAGIZWSV-VWLOTQADSA-N 1 0 367.515 3.222 20 10 FGCDRO COc1cc(C[NH2+]Cc2cc(Br)ccc2O)cc(OC)c1 ZINC000749397407 722727348 /nfs/dbraw/zinc/72/73/48/722727348.db2.gz OYUGOCKQEQKUPW-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000750056298 722753133 /nfs/dbraw/zinc/75/31/33/722753133.db2.gz GSFLZBZRUXPLCM-KRWDZBQOSA-N 1 0 368.905 3.181 20 10 FGCDRO COc1ccc(O)c(C[N@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000756123738 722961099 /nfs/dbraw/zinc/96/10/99/722961099.db2.gz XWXCSFJWJMIAFK-UHFFFAOYSA-N 1 0 372.284 3.219 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000756495013 722965616 /nfs/dbraw/zinc/96/56/16/722965616.db2.gz IWVAHHOTEUMVIH-CYBMUJFWSA-N 1 0 350.409 3.462 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(O)c1C ZINC000756555731 722966834 /nfs/dbraw/zinc/96/68/34/722966834.db2.gz LYEOVXWWWWZTMV-HNNXBMFYSA-N 1 0 363.479 3.142 20 10 FGCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000759601307 723011280 /nfs/dbraw/zinc/01/12/80/723011280.db2.gz HFESDBGAKJATPA-ZIAGYGMSSA-N 1 0 356.561 3.140 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000790637749 723161830 /nfs/dbraw/zinc/16/18/30/723161830.db2.gz YPRABLVAURHNSO-UHFFFAOYSA-N 1 0 359.170 3.441 20 10 FGCDRO COc1cccc(C[N@H+](CCO)Cc2ccc(Br)s2)c1O ZINC000792194874 723320511 /nfs/dbraw/zinc/32/05/11/723320511.db2.gz ARBSMWCIUJUVGY-UHFFFAOYSA-N 1 0 372.284 3.219 20 10 FGCDRO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)F ZINC000792237447 723323433 /nfs/dbraw/zinc/32/34/33/723323433.db2.gz DVHCACOQYGJICC-ZDUSSCGKSA-N 1 0 360.832 3.418 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NC(C)(C)C ZINC000765422634 723512104 /nfs/dbraw/zinc/51/21/04/723512104.db2.gz BCZYQHZJUBALCI-ZIAGYGMSSA-N 1 0 367.921 3.130 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCC1 ZINC000765980835 723549711 /nfs/dbraw/zinc/54/97/11/723549711.db2.gz SNGXTWNTHIMMCL-FQEVSTJZSA-N 1 0 364.555 3.370 20 10 FGCDRO CSC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796313268 723632277 /nfs/dbraw/zinc/63/22/77/723632277.db2.gz RRTQEAPHPZCTLY-HXUWFJFHSA-N 1 0 356.535 3.453 20 10 FGCDRO C[C@H](CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[S@](C)=O ZINC000796318541 723632706 /nfs/dbraw/zinc/63/27/06/723632706.db2.gz DEGVTBNJSQFUKF-NSYGIPOTSA-N 1 0 356.535 3.496 20 10 FGCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796324191 723632842 /nfs/dbraw/zinc/63/28/42/723632842.db2.gz QJYWYXWHNYNJMA-CRICUBBOSA-N 1 0 356.535 3.496 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1O ZINC000767926715 723640254 /nfs/dbraw/zinc/64/02/54/723640254.db2.gz FOQQSOFXKVSQDT-CYBMUJFWSA-N 1 0 356.260 3.355 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769424054 723685281 /nfs/dbraw/zinc/68/52/81/723685281.db2.gz QOUKIMDLUWZQEA-UKRRQHHQSA-N 1 0 350.459 3.136 20 10 FGCDRO CC[C@H]1CN(Cc2cccc(Br)c2[O-])CCN1CC(F)F ZINC000769513292 723688366 /nfs/dbraw/zinc/68/83/66/723688366.db2.gz AXXFBZJDYXZNEF-LBPRGKRZSA-N 1 0 363.246 3.316 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c(O)c1 ZINC000769514242 723688471 /nfs/dbraw/zinc/68/84/71/723688471.db2.gz HTOSDONXLWDWNH-CQSZACIVSA-N 1 0 360.420 3.497 20 10 FGCDRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769686577 723692138 /nfs/dbraw/zinc/69/21/38/723692138.db2.gz BBTDULHAZBZSAI-ILZDJORESA-N 1 0 364.555 3.226 20 10 FGCDRO C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773160848 723777970 /nfs/dbraw/zinc/77/79/70/723777970.db2.gz DFXCEFPDTAQWRH-KSSFIOAISA-N 1 0 360.527 3.477 20 10 FGCDRO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773406405 723784211 /nfs/dbraw/zinc/78/42/11/723784211.db2.gz CQAZDJAGJKWBQU-IKGGRYGDSA-N 1 0 350.890 3.418 20 10 FGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc(Cl)n1 ZINC000797596833 723840027 /nfs/dbraw/zinc/84/00/27/723840027.db2.gz WABZKWWRLZSOSZ-UHFFFAOYSA-N 1 0 363.864 3.433 20 10 FGCDRO C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774122418 723861007 /nfs/dbraw/zinc/86/10/07/723861007.db2.gz LGMBNZPBFQYLMC-ZDUSSCGKSA-N 1 0 360.329 3.377 20 10 FGCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775368710 723986076 /nfs/dbraw/zinc/98/60/76/723986076.db2.gz HIGMRCOCFXLWHG-ICSRJNTNSA-N 1 0 350.478 3.346 20 10 FGCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775497291 723995971 /nfs/dbraw/zinc/99/59/71/723995971.db2.gz OGJSKTOJWXJIGE-MRXNPFEDSA-N 1 0 368.886 3.065 20 10 FGCDRO CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)ccc1O ZINC000775521056 723997742 /nfs/dbraw/zinc/99/77/42/723997742.db2.gz OPGIKXPVOWTVAH-CQSZACIVSA-N 1 0 355.276 3.254 20 10 FGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000775634214 724013444 /nfs/dbraw/zinc/01/34/44/724013444.db2.gz PALYHGCWHKVVSZ-GFCCVEGCSA-N 1 0 356.260 3.238 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775831451 724068750 /nfs/dbraw/zinc/06/87/50/724068750.db2.gz SFKGLZONNMRXPK-OAHLLOKOSA-N 1 0 359.901 3.416 20 10 FGCDRO C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(N(C)C)cc1 ZINC000775836951 724069335 /nfs/dbraw/zinc/06/93/35/724069335.db2.gz POLNVQWQVWTEJH-LBPRGKRZSA-N 1 0 361.515 3.191 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000776252875 724124078 /nfs/dbraw/zinc/12/40/78/724124078.db2.gz ZWFIYBVAXOXICT-GFCCVEGCSA-N 1 0 364.804 3.088 20 10 FGCDRO CS[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1[NH+]1CCCC1 ZINC000776487195 724150662 /nfs/dbraw/zinc/15/06/62/724150662.db2.gz WETPATWCDKRTEC-IRXDYDNUSA-N 1 0 368.930 3.260 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785988836 724953462 /nfs/dbraw/zinc/95/34/62/724953462.db2.gz PDOKXGWWNAHMRC-MJVIPROJSA-N 1 0 358.276 3.145 20 10 FGCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000787640844 725033888 /nfs/dbraw/zinc/03/38/88/725033888.db2.gz ZYYGJZXLJZYUHP-IYBDPMFKSA-N 1 0 357.885 3.381 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000788528653 725070832 /nfs/dbraw/zinc/07/08/32/725070832.db2.gz FVDUKXPDWUJXNC-UHFFFAOYSA-N 1 0 370.287 3.196 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000788595514 725074367 /nfs/dbraw/zinc/07/43/67/725074367.db2.gz UPFCHVFGEPRLQH-HNNXBMFYSA-N 1 0 363.479 3.142 20 10 FGCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000809691941 725259326 /nfs/dbraw/zinc/25/93/26/725259326.db2.gz UEJAYSINANFMHL-CQSZACIVSA-N 1 0 356.850 3.155 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](CCN(C)C)CC(C)C)c1O ZINC000809730049 725263240 /nfs/dbraw/zinc/26/32/40/725263240.db2.gz YBRCCUJHJQQJKE-UHFFFAOYSA-N 1 0 359.308 3.183 20 10 FGCDRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000809755614 725265489 /nfs/dbraw/zinc/26/54/89/725265489.db2.gz MPVLBCYFMLJZBZ-ZDUSSCGKSA-N 1 0 353.850 3.118 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1O ZINC000809794374 725269223 /nfs/dbraw/zinc/26/92/23/725269223.db2.gz WPMQBXLAOMYXLB-OAQYLSRUSA-N 1 0 368.296 3.490 20 10 FGCDRO CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810228977 725298525 /nfs/dbraw/zinc/29/85/25/725298525.db2.gz PCXLLNVSYPICSG-AWEZNQCLSA-N 1 0 365.417 3.277 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+]CC3(SC)CCC3)CC2)cc1 ZINC000811473027 725367914 /nfs/dbraw/zinc/36/79/14/725367914.db2.gz SWGJUPVUHYMCOZ-UHFFFAOYSA-N 1 0 363.571 3.083 20 10 FGCDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)c1 ZINC000811519564 725372295 /nfs/dbraw/zinc/37/22/95/725372295.db2.gz AVQKOKOAPMKIRL-OAHLLOKOSA-N 1 0 350.260 3.415 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000814178445 726945501 /nfs/dbraw/zinc/94/55/01/726945501.db2.gz PZQGHYNRJYOYHW-AWEZNQCLSA-N 1 0 370.287 3.412 20 10 FGCDRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816562341 727176084 /nfs/dbraw/zinc/17/60/84/727176084.db2.gz IBFDYLLVOLDDBC-UHFFFAOYSA-N 1 0 355.459 3.380 20 10 FGCDRO COC1([C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)CCOCC1 ZINC000817588143 727268530 /nfs/dbraw/zinc/26/85/30/727268530.db2.gz MBUHPJRULJYXFR-NEPJUHHUSA-N 1 0 358.276 3.389 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817587116 727268652 /nfs/dbraw/zinc/26/86/52/727268652.db2.gz UXDDENATUKUOEW-AVGNSLFASA-N 1 0 369.303 3.405 20 10 FGCDRO CCCN1C[C@H](C[NH2+][C@@H](CC)c2cc(Br)ccc2O)CC1=O ZINC000817590205 727268949 /nfs/dbraw/zinc/26/89/49/727268949.db2.gz WHMBSHCTNJGXGY-WFASDCNBSA-N 1 0 369.303 3.454 20 10 FGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nc(Br)cs1 ZINC000817939589 727288905 /nfs/dbraw/zinc/28/89/05/727288905.db2.gz CSENFROFXZTOBK-GWCFXTLKSA-N 1 0 369.332 3.322 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000817987561 727290734 /nfs/dbraw/zinc/29/07/34/727290734.db2.gz UITXSUNGYSCSNR-SBFPOUOMSA-N 1 0 357.267 3.333 20 10 FGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997724 727290980 /nfs/dbraw/zinc/29/09/80/727290980.db2.gz VJIARSIHRHVJRJ-AWEZNQCLSA-N 1 0 360.527 3.166 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(C(F)(F)F)cc1 ZINC000818996376 727335971 /nfs/dbraw/zinc/33/59/71/727335971.db2.gz FSMYBFAZHFMJKK-KRWDZBQOSA-N 1 0 351.368 3.334 20 10 FGCDRO O[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)CC(F)(F)F ZINC000819002051 727336535 /nfs/dbraw/zinc/33/65/35/727336535.db2.gz HOJHOJAIVLYZSQ-ZDUSSCGKSA-N 1 0 368.346 3.160 20 10 FGCDRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000819078448 727345387 /nfs/dbraw/zinc/34/53/87/727345387.db2.gz VMXNWXYRFMTILV-GOSISDBHSA-N 1 0 360.523 3.312 20 10 FGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000819291440 727365035 /nfs/dbraw/zinc/36/50/35/727365035.db2.gz VDPZSYPTPUCTGY-KGLIPLIRSA-N 1 0 358.935 3.099 20 10 FGCDRO CC(C)C[C@H](C(=O)NCc1cccc(Br)c1O)n1ccnc1 ZINC000822459031 729177219 /nfs/dbraw/zinc/17/72/19/729177219.db2.gz NPEBITDLQFPMJD-CQSZACIVSA-N 1 0 366.259 3.255 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H](C)O1 ZINC000823666760 729297309 /nfs/dbraw/zinc/29/73/09/729297309.db2.gz RAFLYLILQMAHJS-XNJGSVPQSA-N 1 0 358.404 3.198 20 10 FGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000823671228 729297744 /nfs/dbraw/zinc/29/77/44/729297744.db2.gz KHWAKTHVXZWTFV-CWLKWCNXSA-N 1 0 350.478 3.487 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCC[C@H]1C ZINC000823851593 729309162 /nfs/dbraw/zinc/30/91/62/729309162.db2.gz QCEWJKPMYJQJBL-HLIPFELVSA-N 1 0 364.555 3.226 20 10 FGCDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823997210 729315397 /nfs/dbraw/zinc/31/53/97/729315397.db2.gz WXTPZXKNSPQQCD-OAHLLOKOSA-N 1 0 366.552 3.297 20 10 FGCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(Br)cc(OC)c2O)cn1 ZINC000825130168 729372072 /nfs/dbraw/zinc/37/20/72/729372072.db2.gz OKUIMQNUGDMIPR-SNVBAGLBSA-N 1 0 354.248 3.231 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cc1Cl ZINC000825246561 729375812 /nfs/dbraw/zinc/37/58/12/729375812.db2.gz DGRIBPVNSXIHMI-GFCCVEGCSA-N 1 0 357.784 3.162 20 10 FGCDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825710455 729392460 /nfs/dbraw/zinc/39/24/60/729392460.db2.gz QCSXPVNOCATTBB-MFKMUULPSA-N 1 0 368.193 3.290 20 10 FGCDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)s1 ZINC000827943351 729437521 /nfs/dbraw/zinc/43/75/21/729437521.db2.gz WGHHSAYPTXQWIB-LBPRGKRZSA-N 1 0 362.451 3.024 20 10 FGCDRO Cc1cc([C@H]([NH3+])CC(=O)NCc2ccc(N(C)C)cc2C)cc(Cl)n1 ZINC000829764497 729509871 /nfs/dbraw/zinc/50/98/71/729509871.db2.gz NAYXVXXAMADSRO-QGZVFWFLSA-N 1 0 360.889 3.124 20 10 FGCDRO C[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)(C)C[NH+](C)C ZINC000830414031 729556268 /nfs/dbraw/zinc/55/62/68/729556268.db2.gz KWVJTVOZIOXYNN-ZDUSSCGKSA-N 1 0 360.527 3.022 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000830804472 729594585 /nfs/dbraw/zinc/59/45/85/729594585.db2.gz UVFOSRCRGLHMGU-RHSMWYFYSA-N 1 0 369.303 3.411 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000830804473 729594740 /nfs/dbraw/zinc/59/47/40/729594740.db2.gz UVFOSRCRGLHMGU-WMLDXEAASA-N 1 0 369.303 3.411 20 10 FGCDRO Cc1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1Cl ZINC000832266402 729700825 /nfs/dbraw/zinc/70/08/25/729700825.db2.gz FOVOOCMKHNVZNZ-CQSZACIVSA-N 1 0 367.280 3.193 20 10 FGCDRO COCCOC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CCOCC1 ZINC000834856794 729839234 /nfs/dbraw/zinc/83/92/34/729839234.db2.gz USKWLEWXTZSUIP-AWEZNQCLSA-N 1 0 357.878 3.217 20 10 FGCDRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483480 730034349 /nfs/dbraw/zinc/03/43/49/730034349.db2.gz AVYSHEAFOKBLRD-LPHOPBHVSA-N 1 0 366.889 3.085 20 10 FGCDRO Cc1ncc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000840760036 730170418 /nfs/dbraw/zinc/17/04/18/730170418.db2.gz QNUMYPTYPUHOQV-NSHDSACASA-N 1 0 353.438 3.417 20 10 FGCDRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000840963150 730198303 /nfs/dbraw/zinc/19/83/03/730198303.db2.gz LMFFRHBTODWMFL-ZDUSSCGKSA-N 1 0 354.219 3.160 20 10 FGCDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCc1ccc(N)cc1 ZINC000841036953 730205034 /nfs/dbraw/zinc/20/50/34/730205034.db2.gz XFURYOSODOWSPO-HNNXBMFYSA-N 1 0 359.901 3.492 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2csc(-c3ccccn3)n2)cc1 ZINC000841044897 730205725 /nfs/dbraw/zinc/20/57/25/730205725.db2.gz ZQLCWLGXMJJNON-QGZVFWFLSA-N 1 0 353.495 3.061 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnc(-c3ccncc3)s2)cc1 ZINC000841046297 730206128 /nfs/dbraw/zinc/20/61/28/730206128.db2.gz ZLPGRLWDGFEVMV-SFHVURJKSA-N 1 0 353.495 3.061 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1O ZINC000841745046 730269905 /nfs/dbraw/zinc/26/99/05/730269905.db2.gz MXQNDCXINGIDAZ-GFCCVEGCSA-N 1 0 368.886 3.147 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)cc1O ZINC000841745536 730270165 /nfs/dbraw/zinc/27/01/65/730270165.db2.gz PSVGGKGDAQVJDK-KBXCAEBGSA-N 1 0 360.885 3.115 20 10 FGCDRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1O ZINC000841753358 730270670 /nfs/dbraw/zinc/27/06/70/730270670.db2.gz SIAZWQBDXPFPFO-GFCCVEGCSA-N 1 0 365.836 3.267 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000841858365 730281491 /nfs/dbraw/zinc/28/14/91/730281491.db2.gz XCLMOMPZLYOFTH-CABCVRRESA-N 1 0 368.572 3.189 20 10 FGCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841895997 730283922 /nfs/dbraw/zinc/28/39/22/730283922.db2.gz IROGVQNEOFMSST-KBPBESRZSA-N 1 0 352.910 3.113 20 10 FGCDRO [NH3+][C@@H]1CCCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843047682 730573980 /nfs/dbraw/zinc/57/39/80/730573980.db2.gz VBCDCJLRLWFZGK-OAHLLOKOSA-N 1 0 352.320 3.363 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000844900970 730787018 /nfs/dbraw/zinc/78/70/18/730787018.db2.gz CIYMYGIXJANZTK-INIZCTEOSA-N 1 0 365.836 3.287 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000846143226 730931803 /nfs/dbraw/zinc/93/18/03/730931803.db2.gz YHZUNJQHRPWDGO-QWHCGFSZSA-N 1 0 364.467 3.184 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cccnc2)c1O ZINC000848518921 731174178 /nfs/dbraw/zinc/17/41/78/731174178.db2.gz OHAJOEOFZKQGHQ-NSHDSACASA-N 1 0 351.244 3.452 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)c1O ZINC000848548173 731179324 /nfs/dbraw/zinc/17/93/24/731179324.db2.gz AWNYUIYNEJWJQM-MFKMUULPSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)c1O ZINC000848550484 731179691 /nfs/dbraw/zinc/17/96/91/731179691.db2.gz NZDZZGMHIRFLRM-WOPDTQHZSA-N 1 0 358.276 3.487 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2nccnc2C)c1O ZINC000848552062 731180158 /nfs/dbraw/zinc/18/01/58/731180158.db2.gz ZLJXLSCOIJKFAL-JTQLQIEISA-N 1 0 366.259 3.155 20 10 FGCDRO CCn1ccc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000848553868 731180957 /nfs/dbraw/zinc/18/09/57/731180957.db2.gz ZFJFDRYEBBRIPX-SNVBAGLBSA-N 1 0 354.248 3.231 20 10 FGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848558061 731181511 /nfs/dbraw/zinc/18/15/11/731181511.db2.gz MVVVZIKEANPUPE-MQYQWHSLSA-N 1 0 371.319 3.303 20 10 FGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000848894496 731218225 /nfs/dbraw/zinc/21/82/25/731218225.db2.gz MHXWOASSRVNLRX-CQSZACIVSA-N 1 0 362.495 3.056 20 10 FGCDRO COc1ccc(NC(=[NH2+])NCc2cc(Br)ccc2O)cc1 ZINC000849052124 731224268 /nfs/dbraw/zinc/22/42/68/731224268.db2.gz QBEFMVDQFPHMHR-UHFFFAOYSA-N 1 0 350.216 3.300 20 10 FGCDRO CC1(C)CCC(O)(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000850394651 731351750 /nfs/dbraw/zinc/35/17/50/731351750.db2.gz YCUVPBKUCIVABH-UHFFFAOYSA-N 1 0 350.478 3.083 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1F ZINC000850400168 731352618 /nfs/dbraw/zinc/35/26/18/731352618.db2.gz ATDUMQMEBLYCFN-FQEVSTJZSA-N 1 0 352.494 3.329 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850435012 731357090 /nfs/dbraw/zinc/35/70/90/731357090.db2.gz FWQIFHBICNGKBK-SJORKVTESA-N 1 0 350.890 3.311 20 10 FGCDRO C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000850483940 731361605 /nfs/dbraw/zinc/36/16/05/731361605.db2.gz YXMVOSWNHJHNIA-CYBMUJFWSA-N 1 0 354.441 3.212 20 10 FGCDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000850555113 731372299 /nfs/dbraw/zinc/37/22/99/731372299.db2.gz FYDXZEHETNBHFZ-HNNXBMFYSA-N 1 0 368.518 3.434 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2CCC(O)CC2)c1O ZINC000850553158 731372369 /nfs/dbraw/zinc/37/23/69/731372369.db2.gz SUYFEIJLBHLFQS-ZBOXLXRLSA-N 1 0 358.276 3.365 20 10 FGCDRO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557113 731372908 /nfs/dbraw/zinc/37/29/08/731372908.db2.gz UOWXDJJBHJCMKM-HOTGVXAUSA-N 1 0 351.922 3.312 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2nccn2C)c1O ZINC000850572318 731374686 /nfs/dbraw/zinc/37/46/86/731374686.db2.gz JYQMFUBFRAQNHV-VHSXEESVSA-N 1 0 354.248 3.309 20 10 FGCDRO COC(=O)NC1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000853626269 731733703 /nfs/dbraw/zinc/73/37/03/731733703.db2.gz RILAUEJXSOYPKS-UHFFFAOYSA-N 1 0 350.459 3.019 20 10 FGCDRO COc1cc(CCC[NH2+]Cc2c(O)cccc2Cl)cc(OC)c1O ZINC000856812771 732064116 /nfs/dbraw/zinc/06/41/16/732064116.db2.gz XDTISZZOZXQKEZ-UHFFFAOYSA-N 1 0 351.830 3.491 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000858156544 732187033 /nfs/dbraw/zinc/18/70/33/732187033.db2.gz YBJMDECMYJKSSE-GFCCVEGCSA-N 1 0 356.260 3.320 20 10 FGCDRO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC000858483594 732219532 /nfs/dbraw/zinc/21/95/32/732219532.db2.gz TVTRAFHTRNPAEL-HNNXBMFYSA-N 1 0 356.457 3.360 20 10 FGCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000861631175 732712522 /nfs/dbraw/zinc/71/25/22/732712522.db2.gz ZRYDWCOXKBDVKL-UONOGXRCSA-N 1 0 352.910 3.065 20 10 FGCDRO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000862278452 732803067 /nfs/dbraw/zinc/80/30/67/732803067.db2.gz DFMYVWAATBEFER-OALUTQOASA-N 1 0 364.555 3.227 20 10 FGCDRO Cc1cccc(C[N@@H+](C)CCOCCN(C)C(=O)OC(C)(C)C)c1O ZINC000862489685 732841158 /nfs/dbraw/zinc/84/11/58/732841158.db2.gz TWUFGKJHNYTSIB-UHFFFAOYSA-N 1 0 352.475 3.016 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(O)c(C(C)(C)C)c1 ZINC000862526817 732843479 /nfs/dbraw/zinc/84/34/79/732843479.db2.gz FBMBNBPLXFYOSH-JRLRZGBRSA-N 1 0 351.512 3.184 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)c2c1c(F)ccc2O ZINC000866431574 733348686 /nfs/dbraw/zinc/34/86/86/733348686.db2.gz XBKFCVCJOLHQQH-LDYMZIIASA-N 1 0 354.223 3.365 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000866548366 733364782 /nfs/dbraw/zinc/36/47/82/733364782.db2.gz JISTZOWCPHABJT-MCIONIFRSA-N 1 0 350.459 3.355 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCOC1 ZINC000872077652 735585777 /nfs/dbraw/zinc/58/57/77/735585777.db2.gz KPIVBLWPBVYOOV-YJBOKZPZSA-N 1 0 354.441 3.096 20 10 FGCDRO O=c1[nH]nc(Cl)cc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000872448372 735632412 /nfs/dbraw/zinc/63/24/12/735632412.db2.gz DCWWUHPTODNYFK-GFCCVEGCSA-N 1 0 369.252 3.271 20 10 FGCDRO CCC[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1O ZINC000876655098 736127651 /nfs/dbraw/zinc/12/76/51/736127651.db2.gz WETOHENKNJVBHI-UHFFFAOYSA-N 1 0 368.886 3.105 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000877034028 736178286 /nfs/dbraw/zinc/17/82/86/736178286.db2.gz WCOVPACTTMBSJF-AOCRQIFASA-N 1 0 360.889 3.200 20 10 FGCDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130738 736191269 /nfs/dbraw/zinc/19/12/69/736191269.db2.gz SWSHHKQNVVCMND-DNVCBOLYSA-N 1 0 360.523 3.311 20 10 FGCDRO Fc1cc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc(F)c1N1CCOCC1 ZINC000877582161 736688299 /nfs/dbraw/zinc/68/82/99/736688299.db2.gz LELOSFUDVSBLGI-LLVKDONJSA-N 1 0 351.224 3.085 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000883353186 737556720 /nfs/dbraw/zinc/55/67/20/737556720.db2.gz PZDSKIQCJRVQET-BXUZGUMPSA-N 1 0 358.276 3.458 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C2CCC3(COC3)CC2)c1O ZINC000883391918 737562108 /nfs/dbraw/zinc/56/21/08/737562108.db2.gz VSMZOPGMQAYUQM-UHFFFAOYSA-N 1 0 356.260 3.212 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891248323 739886154 /nfs/dbraw/zinc/88/61/54/739886154.db2.gz KOVBECRLTQZSGQ-YOEHRIQHSA-N 1 0 353.457 3.297 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892743228 740040083 /nfs/dbraw/zinc/04/00/83/740040083.db2.gz LLXWTSZXSVWWIW-SJLPKXTDSA-N 1 0 364.555 3.368 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)COc2c(F)cccc2F)c(O)c1OC ZINC000895360866 742402202 /nfs/dbraw/zinc/40/22/02/742402202.db2.gz LPNLTNCTCYUAFO-NSHDSACASA-N 1 0 353.365 3.245 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)COc2c(F)cccc2F)c(O)c1OC ZINC000895360865 742402287 /nfs/dbraw/zinc/40/22/87/742402287.db2.gz LPNLTNCTCYUAFO-LLVKDONJSA-N 1 0 353.365 3.245 20 10 FGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000897579607 742692123 /nfs/dbraw/zinc/69/21/23/742692123.db2.gz YDLFYNPPQLYJKN-GFCCVEGCSA-N 1 0 366.259 3.301 20 10 FGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](Cc4nccs4)C3)cc2)CC1 ZINC000898069618 742741744 /nfs/dbraw/zinc/74/17/44/742741744.db2.gz YEIRNIZKKFJVLK-QGZVFWFLSA-N 1 0 357.523 3.169 20 10 FGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)COc1ccc2cc[nH]c2c1 ZINC000905111790 743993528 /nfs/dbraw/zinc/99/35/28/743993528.db2.gz SZADJFRCZYQTOH-AWEZNQCLSA-N 1 0 363.508 3.136 20 10 FGCDRO CCc1onc(C)c1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000922987173 759045185 /nfs/dbraw/zinc/04/51/85/759045185.db2.gz BAYOYMZHTRTYBE-UHFFFAOYSA-N 1 0 355.232 3.312 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1cc(Br)ccc1O ZINC000927155229 759909337 /nfs/dbraw/zinc/90/93/37/759909337.db2.gz JBINHEVEMCZUOI-IMJJTQAJSA-N 1 0 370.287 3.125 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000779031614 724383284 /nfs/dbraw/zinc/38/32/84/724383284.db2.gz KLSCPXXAQPGNHJ-ZBOXLXRLSA-N 1 0 355.276 3.158 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000779052502 724384602 /nfs/dbraw/zinc/38/46/02/724384602.db2.gz RESXHTKHXIZHQV-MLGOLLRUSA-N 1 0 372.303 3.291 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000044862804 494384791 /nfs/dbraw/zinc/38/47/91/494384791.db2.gz FEHFHEBGSRGENJ-HXUWFJFHSA-N 1 0 372.534 3.237 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000131430619 494615440 /nfs/dbraw/zinc/61/54/40/494615440.db2.gz GIAOBPZLRCINJV-UHFFFAOYSA-N 1 0 366.509 3.449 20 10 FGCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c1O ZINC000093009512 494807224 /nfs/dbraw/zinc/80/72/24/494807224.db2.gz VALBSTLXJGJCGW-UHFFFAOYSA-N 1 0 358.438 3.005 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)cc1 ZINC000127651982 494976729 /nfs/dbraw/zinc/97/67/29/494976729.db2.gz NGHBCIUJTQYGDK-INIZCTEOSA-N 1 0 358.482 3.373 20 10 FGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000133990288 495090975 /nfs/dbraw/zinc/09/09/75/495090975.db2.gz OSJGQMWLEJARJB-UHFFFAOYSA-N 1 0 368.525 3.269 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154596366 495666585 /nfs/dbraw/zinc/66/65/85/495666585.db2.gz MGITVXLSIGCASM-UGSOOPFHSA-N 1 0 350.459 3.108 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3CC[NH3+])ccc21 ZINC000568894328 505802577 /nfs/dbraw/zinc/80/25/77/505802577.db2.gz JJEKWTIIBFSIRA-GOSISDBHSA-N 1 0 357.498 3.248 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1O ZINC000186276380 495925007 /nfs/dbraw/zinc/92/50/07/495925007.db2.gz SNYHSWDPUDOGDA-MOPGFXCFSA-N 1 0 354.450 3.243 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1OC ZINC000160299852 495930855 /nfs/dbraw/zinc/93/08/55/495930855.db2.gz GDUVMVGBPPPQAY-KRWDZBQOSA-N 1 0 357.450 3.448 20 10 FGCDRO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000180382491 495973366 /nfs/dbraw/zinc/97/33/66/495973366.db2.gz UTAPGOZUCXHADI-JXFKEZNVSA-N 1 0 365.477 3.300 20 10 FGCDRO CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(OC)c(OC)cc1O ZINC000180442041 495997389 /nfs/dbraw/zinc/99/73/89/495997389.db2.gz ANHLBPUHTKIOLM-UHFFFAOYSA-N 1 0 372.465 3.487 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000180894033 496189903 /nfs/dbraw/zinc/18/99/03/496189903.db2.gz CTVDFURIVDYIQR-CSKARUKUSA-N 1 0 352.434 3.023 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(Br)ccc1O ZINC000156735302 496322824 /nfs/dbraw/zinc/32/28/24/496322824.db2.gz SXHQJOSSYKMBTQ-OCCSQVGLSA-N 1 0 350.260 3.476 20 10 FGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187307643 496386267 /nfs/dbraw/zinc/38/62/67/496386267.db2.gz FYONBAULTKPBQZ-DGCLKSJQSA-N 1 0 355.276 3.125 20 10 FGCDRO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157024390 496388522 /nfs/dbraw/zinc/38/85/22/496388522.db2.gz JSWMEGGZKIBZIG-LIRRHRJNSA-N 1 0 364.486 3.282 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC000184683710 496491105 /nfs/dbraw/zinc/49/11/05/496491105.db2.gz JXPMINAGCDWVFM-UHFFFAOYSA-N 1 0 353.875 3.223 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000184707944 496501334 /nfs/dbraw/zinc/50/13/34/496501334.db2.gz QSKAHUOBEQKRCW-HNNXBMFYSA-N 1 0 360.841 3.229 20 10 FGCDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1OC ZINC000184789784 496533581 /nfs/dbraw/zinc/53/35/81/496533581.db2.gz LYHHRAAASFPDPO-GOSISDBHSA-N 1 0 357.450 3.183 20 10 FGCDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184986410 496611549 /nfs/dbraw/zinc/61/15/49/496611549.db2.gz DLKSCERTVPEOFC-INIZCTEOSA-N 1 0 367.493 3.353 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109169 496664112 /nfs/dbraw/zinc/66/41/12/496664112.db2.gz CVGKKRMRHAALCJ-LSDHHAIUSA-N 1 0 362.495 3.363 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCc4c3cnn4C)cc2F)C[C@H](C)O1 ZINC000268782269 496784059 /nfs/dbraw/zinc/78/40/59/496784059.db2.gz DKGKCUSRIUPPAR-KHYOSLBOSA-N 1 0 372.488 3.340 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000273431152 496804096 /nfs/dbraw/zinc/80/40/96/496804096.db2.gz VSKWJLIPKYHAKY-ZDUSSCGKSA-N 1 0 362.857 3.411 20 10 FGCDRO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000273445959 496808290 /nfs/dbraw/zinc/80/82/90/496808290.db2.gz ZTLPNERATQTQKW-SNVBAGLBSA-N 1 0 357.248 3.036 20 10 FGCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191685339 496854471 /nfs/dbraw/zinc/85/44/71/496854471.db2.gz HQZQQJMAMWHGAY-UHFFFAOYSA-N 1 0 372.416 3.283 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)ccc1OC ZINC000264548636 496926831 /nfs/dbraw/zinc/92/68/31/496926831.db2.gz YKTRATVXBKARHX-UHFFFAOYSA-N 1 0 366.465 3.161 20 10 FGCDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000269918923 497024848 /nfs/dbraw/zinc/02/48/48/497024848.db2.gz KELJIHISZXUKQO-UNMCSNQZSA-N 1 0 354.494 3.251 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270209507 497077941 /nfs/dbraw/zinc/07/79/41/497077941.db2.gz ZXFKBWNJOYAKRX-ICSRJNTNSA-N 1 0 366.465 3.459 20 10 FGCDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1nc(C)cs1 ZINC000278472376 497126117 /nfs/dbraw/zinc/12/61/17/497126117.db2.gz HLRAZNQNBDUFQS-INIZCTEOSA-N 1 0 351.428 3.489 20 10 FGCDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000192481643 497128542 /nfs/dbraw/zinc/12/85/42/497128542.db2.gz XVBJBUQXUBLIQU-DYVFJYSZSA-N 1 0 358.404 3.057 20 10 FGCDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1cccc(OC)c1 ZINC000236825665 497152207 /nfs/dbraw/zinc/15/22/07/497152207.db2.gz DAZIYMSTQMJJIU-FQEVSTJZSA-N 1 0 355.482 3.019 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc2c(cc1O)CCCC2 ZINC000274811102 497172049 /nfs/dbraw/zinc/17/20/49/497172049.db2.gz UZVUTDQMYMULAC-MRXNPFEDSA-N 1 0 367.493 3.353 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000192726685 497196622 /nfs/dbraw/zinc/19/66/22/497196622.db2.gz ZISCSMPBWSQGON-OAHLLOKOSA-N 1 0 361.511 3.031 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192822866 497222986 /nfs/dbraw/zinc/22/29/86/497222986.db2.gz XGBUOLQLIKOISF-QWHCGFSZSA-N 1 0 360.329 3.233 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C ZINC000192910412 497243792 /nfs/dbraw/zinc/24/37/92/497243792.db2.gz YFRMZHVWCCSUFA-KBPBESRZSA-N 1 0 350.413 3.341 20 10 FGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)ccc1N(C)C ZINC000271571246 497386205 /nfs/dbraw/zinc/38/62/05/497386205.db2.gz ZDDOGCSDGZKLGE-AWEZNQCLSA-N 1 0 364.486 3.454 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)c1c(F)cccc1F ZINC000271876008 497477066 /nfs/dbraw/zinc/47/70/66/497477066.db2.gz ZEUDYFKATNMYIQ-LIRRHRJNSA-N 1 0 367.392 3.289 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1 ZINC000271904862 497483667 /nfs/dbraw/zinc/48/36/67/497483667.db2.gz YWSPUBPHCBQNHW-ZFWWWQNUSA-N 1 0 358.404 3.199 20 10 FGCDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000276211736 497521750 /nfs/dbraw/zinc/52/17/50/497521750.db2.gz KUZMBWCWZMVKFU-CYBMUJFWSA-N 1 0 364.383 3.091 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000245749816 497527758 /nfs/dbraw/zinc/52/77/58/497527758.db2.gz NNFINZFPVUGZKE-FZMZJTMJSA-N 1 0 356.260 3.164 20 10 FGCDRO C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272744198 497718610 /nfs/dbraw/zinc/71/86/10/497718610.db2.gz DDTQYHGWNJNMKU-SFHVURJKSA-N 1 0 370.541 3.469 20 10 FGCDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC000364449873 497963840 /nfs/dbraw/zinc/96/38/40/497963840.db2.gz SUPADRJPMWEBIM-GOSISDBHSA-N 1 0 373.250 3.251 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1OC ZINC000285222242 498025521 /nfs/dbraw/zinc/02/55/21/498025521.db2.gz UYFUAIGMKBBMEB-GUDVDZBRSA-N 1 0 369.461 3.414 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3ccncc3Cl)CC2)cc1 ZINC000301511500 498140945 /nfs/dbraw/zinc/14/09/45/498140945.db2.gz FJPMHRDKAYZOAX-UHFFFAOYSA-N 1 0 360.889 3.368 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(c3ccccc3CO)CC2)cc1OC ZINC000364790966 498144784 /nfs/dbraw/zinc/14/47/84/498144784.db2.gz OBEWEYPWUSACMN-UHFFFAOYSA-N 1 0 357.450 3.281 20 10 FGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1O ZINC000290000835 498388965 /nfs/dbraw/zinc/38/89/65/498388965.db2.gz YXOFSYOGKKUACB-CQSZACIVSA-N 1 0 374.456 3.352 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293650394 498442253 /nfs/dbraw/zinc/44/22/53/498442253.db2.gz MZLVDYOSZQOLDB-QGZVFWFLSA-N 1 0 350.846 3.299 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000290154223 498444872 /nfs/dbraw/zinc/44/48/72/498444872.db2.gz PGMQTWQOUBOADX-SFHVURJKSA-N 1 0 352.544 3.227 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000293685643 498452518 /nfs/dbraw/zinc/45/25/18/498452518.db2.gz KQTNBOCKOZSXSW-OAHLLOKOSA-N 1 0 362.495 3.110 20 10 FGCDRO CCOCc1cc(C[NH2+]C2CCN(c3nccs3)CC2)ccc1OC ZINC000282372745 498484205 /nfs/dbraw/zinc/48/42/05/498484205.db2.gz WXZPWWBHKMSQII-UHFFFAOYSA-N 1 0 361.511 3.447 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccncn3)no2)C1 ZINC000572893252 506078109 /nfs/dbraw/zinc/07/81/09/506078109.db2.gz VRAOFITYPNVKJO-UHFFFAOYSA-N 1 0 374.448 3.296 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3cc(OC)ccc3O)CC2)c1 ZINC000294734874 498789102 /nfs/dbraw/zinc/78/91/02/498789102.db2.gz GPVCPTCHRFNMLX-CQSZACIVSA-N 1 0 373.453 3.172 20 10 FGCDRO CC[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)ccc1O ZINC000287563538 498797401 /nfs/dbraw/zinc/79/74/01/498797401.db2.gz QHFKACXNYAXJSP-AWEZNQCLSA-N 1 0 358.276 3.127 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287656127 498827343 /nfs/dbraw/zinc/82/73/43/498827343.db2.gz LMHWKUNMOLFDOI-ROUUACIJSA-N 1 0 353.938 3.358 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C4(C)OCCO4)C3)cc2)CC1 ZINC000294865272 498831975 /nfs/dbraw/zinc/83/19/75/498831975.db2.gz AOVOUGRMSYGUHJ-LJQANCHMSA-N 1 0 374.525 3.277 20 10 FGCDRO COc1cc(Br)cc(CNC2CC([NH+]3CCCCC3)C2)c1O ZINC000366272985 498853253 /nfs/dbraw/zinc/85/32/53/498853253.db2.gz RLOFOSBSJIMVTO-UHFFFAOYSA-N 1 0 369.303 3.270 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1 ZINC000366336792 498879615 /nfs/dbraw/zinc/87/96/15/498879615.db2.gz JKTREUPTMQETGK-UHFFFAOYSA-N 1 0 350.470 3.013 20 10 FGCDRO OC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCC1(F)F ZINC000291348204 498905660 /nfs/dbraw/zinc/90/56/60/498905660.db2.gz WXWWIZGFMSQTJX-QGZVFWFLSA-N 1 0 363.404 3.421 20 10 FGCDRO COC1CCN(c2ccc(CN3C[C@H]([NH+]4CCCC4)C[C@@H]3C)cc2)CC1 ZINC000295272083 498962078 /nfs/dbraw/zinc/96/20/78/498962078.db2.gz JPWVSQURICNSQY-GHTZIAJQSA-N 1 0 357.542 3.360 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)cc1OC ZINC000291500784 498965780 /nfs/dbraw/zinc/96/57/80/498965780.db2.gz HKPFYDAYKSGVTB-UHFFFAOYSA-N 1 0 357.454 3.003 20 10 FGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000295773890 499098884 /nfs/dbraw/zinc/09/88/84/499098884.db2.gz AMDFGYILWWYAIS-SFHVURJKSA-N 1 0 356.441 3.270 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617032 499154566 /nfs/dbraw/zinc/15/45/66/499154566.db2.gz HIEMQPFARZROAY-AYMQEEERSA-N 1 0 354.441 3.210 20 10 FGCDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000367348169 499185954 /nfs/dbraw/zinc/18/59/54/499185954.db2.gz FGCXNNAAAGWUBH-VCSGRIEYSA-N 1 0 366.509 3.167 20 10 FGCDRO COCc1nccc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000367419121 499196676 /nfs/dbraw/zinc/19/66/76/499196676.db2.gz OAWKKETWRMIXMM-INIZCTEOSA-N 1 0 358.461 3.208 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000370683119 499243872 /nfs/dbraw/zinc/24/38/72/499243872.db2.gz USZMIEINXFSAMO-UHFFFAOYSA-N 1 0 355.438 3.405 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1[O-] ZINC000367909417 499244299 /nfs/dbraw/zinc/24/42/99/499244299.db2.gz GNIQWLKENYBRIJ-KDOFPFPSSA-N 1 0 351.922 3.255 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3c(C)nn(C)c3Cl)CC2)cc1 ZINC000370864604 499263867 /nfs/dbraw/zinc/26/38/67/499263867.db2.gz DVYZTMJJLZRZSG-UHFFFAOYSA-N 1 0 362.905 3.491 20 10 FGCDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C2 ZINC000368314606 499284615 /nfs/dbraw/zinc/28/46/15/499284615.db2.gz FEPCLGYGOMNXST-WCQYABFASA-N 1 0 350.260 3.325 20 10 FGCDRO CC(=O)NC1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000368579708 499309551 /nfs/dbraw/zinc/30/95/51/499309551.db2.gz UBWOKKVNWYXNLG-UHFFFAOYSA-N 1 0 363.505 3.350 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000371360431 499315234 /nfs/dbraw/zinc/31/52/34/499315234.db2.gz GPYJTRKPOOFILG-UHFFFAOYSA-N 1 0 353.514 3.450 20 10 FGCDRO CN1CCCc2cc(C[NH2+]C3CCN(C(=O)c4ccco4)CC3)ccc21 ZINC000371539268 499339515 /nfs/dbraw/zinc/33/95/15/499339515.db2.gz XZSZRADUCMRRFM-UHFFFAOYSA-N 1 0 353.466 3.056 20 10 FGCDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000373221266 499458321 /nfs/dbraw/zinc/45/83/21/499458321.db2.gz QXIQORJNLGKPCN-UHFFFAOYSA-N 1 0 352.394 3.487 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373487103 499472699 /nfs/dbraw/zinc/47/26/99/499472699.db2.gz UVXWZOWCPMKUML-UHFFFAOYSA-N 1 0 358.404 3.296 20 10 FGCDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000378378358 499509007 /nfs/dbraw/zinc/50/90/07/499509007.db2.gz PQMLICYMUHAFDA-VXKWHMMOSA-N 1 0 368.525 3.499 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C)cc1O ZINC000375648947 499541244 /nfs/dbraw/zinc/54/12/44/499541244.db2.gz NLXMJYQRNXYVJM-YJBOKZPZSA-N 1 0 353.466 3.119 20 10 FGCDRO C[NH2+]CCc1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000423783424 500401290 /nfs/dbraw/zinc/40/12/90/500401290.db2.gz PKYZXNCUTDRHLF-UHFFFAOYSA-N 1 0 350.462 3.157 20 10 FGCDRO CC[C@@H]1COCCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435863175 501038634 /nfs/dbraw/zinc/03/86/34/501038634.db2.gz UPJPMVNTTGFYGB-QGZVFWFLSA-N 1 0 369.509 3.045 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCOCC2)C1 ZINC000436028048 501059233 /nfs/dbraw/zinc/05/92/33/501059233.db2.gz TUUAVAHQBZTCFG-KRWDZBQOSA-N 1 0 369.509 3.093 20 10 FGCDRO CCCC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)C(=O)Nc1cc(C)on1 ZINC000481563912 501816484 /nfs/dbraw/zinc/81/64/84/501816484.db2.gz FJYROGHRDVZTSD-KRWDZBQOSA-N 1 0 368.481 3.492 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000472223371 502275804 /nfs/dbraw/zinc/27/58/04/502275804.db2.gz PKHLRRCRQLSMIO-UHFFFAOYSA-N 1 0 354.498 3.257 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000484695440 502711917 /nfs/dbraw/zinc/71/19/17/502711917.db2.gz NEHISOHOOOWQLW-CTNGQTDRSA-N 1 0 369.509 3.261 20 10 FGCDRO Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000530109217 503839826 /nfs/dbraw/zinc/83/98/26/503839826.db2.gz YDFZHEURWVQYPY-CVEARBPZSA-N 1 0 351.512 3.150 20 10 FGCDRO Cc1cc(O)c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c(Cl)c1 ZINC000527767232 503934198 /nfs/dbraw/zinc/93/41/98/503934198.db2.gz NYTKAWORWHDVJZ-UHFFFAOYSA-N 1 0 361.873 3.258 20 10 FGCDRO COc1ccc(CC[NH2+][C@H](C)c2cc(Br)ccc2O)cn1 ZINC000527988924 504028685 /nfs/dbraw/zinc/02/86/85/504028685.db2.gz WDEFFNVIVMVZFD-LLVKDONJSA-N 1 0 351.244 3.452 20 10 FGCDRO Cc1n[nH]c(C)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000520494839 504512249 /nfs/dbraw/zinc/51/22/49/504512249.db2.gz ZYEZLMOJHVRHEB-UHFFFAOYSA-N 1 0 365.481 3.386 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000529636878 504749753 /nfs/dbraw/zinc/74/97/53/504749753.db2.gz KNJAYWITAPJKEV-LBPRGKRZSA-N 1 0 364.165 3.244 20 10 FGCDRO CC[N@@H+]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@@H](C)C1 ZINC000553315680 504880732 /nfs/dbraw/zinc/88/07/32/504880732.db2.gz SPQPYJCPGHMSAG-HNNXBMFYSA-N 1 0 357.498 3.071 20 10 FGCDRO [NH3+]C1(c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)CCCCC1 ZINC000565651976 504949396 /nfs/dbraw/zinc/94/93/96/504949396.db2.gz XXXIZAQQOOOEGL-UHFFFAOYSA-N 1 0 368.462 3.071 20 10 FGCDRO CC1(C)CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2cccc(Cl)c21 ZINC000592516499 507690147 /nfs/dbraw/zinc/69/01/47/507690147.db2.gz OXBSZYYLGRHKIP-GFCCVEGCSA-N 1 0 358.873 3.311 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000825395164 608285878 /nfs/dbraw/zinc/28/58/78/608285878.db2.gz LUMHJBYTSOWBKM-AWEZNQCLSA-N 1 0 366.469 3.182 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)CC1 ZINC000049740659 695896426 /nfs/dbraw/zinc/89/64/26/695896426.db2.gz CUFJRPYLODOYTI-UHFFFAOYSA-N 1 0 361.848 3.161 20 10 FGCDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090882649 700408061 /nfs/dbraw/zinc/40/80/61/700408061.db2.gz SVXDMTFFVQNXHX-HNNXBMFYSA-N 1 0 368.518 3.291 20 10 FGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Br)cc(OC)c1O ZINC000091892364 700428040 /nfs/dbraw/zinc/42/80/40/700428040.db2.gz POSRHIOXNHSMDY-CABCVRRESA-N 1 0 369.303 3.222 20 10 FGCDRO COc1cccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)c1O ZINC000093359971 700450601 /nfs/dbraw/zinc/45/06/01/700450601.db2.gz KHWJBLUTSKYWJA-INIZCTEOSA-N 1 0 360.841 3.292 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)cc1 ZINC000093717187 700453570 /nfs/dbraw/zinc/45/35/70/700453570.db2.gz NBGIHACNMFFZOC-UHFFFAOYSA-N 1 0 359.543 3.405 20 10 FGCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(Br)ccc1O ZINC000093863643 700455545 /nfs/dbraw/zinc/45/55/45/700455545.db2.gz JJKLZABXEDJOSX-CQSZACIVSA-N 1 0 350.260 3.398 20 10 FGCDRO CCC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)Cc1ccccc1O ZINC000110076913 700538312 /nfs/dbraw/zinc/53/83/12/700538312.db2.gz DOGYEBQAFUNGTE-UHFFFAOYSA-N 1 0 362.451 3.091 20 10 FGCDRO CCCn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000116917777 700597837 /nfs/dbraw/zinc/59/78/37/700597837.db2.gz SEUGFGUSRSHEBV-GOSISDBHSA-N 1 0 362.905 3.406 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1O ZINC000128838318 700780260 /nfs/dbraw/zinc/78/02/60/700780260.db2.gz JRKDBOOLSFPBJD-ZWNOBZJWSA-N 1 0 357.292 3.499 20 10 FGCDRO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129856708 700792813 /nfs/dbraw/zinc/79/28/13/700792813.db2.gz FPKAOSJTTJGSBH-MRXNPFEDSA-N 1 0 350.478 3.398 20 10 FGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154698201 705045350 /nfs/dbraw/zinc/04/53/50/705045350.db2.gz TUTJQUNFVXWLKM-DLBZAZTESA-N 1 0 352.494 3.358 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000158824515 705200611 /nfs/dbraw/zinc/20/06/11/705200611.db2.gz RGUMBGGTFNJMEW-UHFFFAOYSA-N 1 0 362.857 3.385 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1O ZINC000170790716 705361791 /nfs/dbraw/zinc/36/17/91/705361791.db2.gz UNZJCBYMDIWARH-QGZVFWFLSA-N 1 0 355.356 3.331 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N(C)C(C)C ZINC000175285622 705541563 /nfs/dbraw/zinc/54/15/63/705541563.db2.gz IFKLCFIOQNQWDU-GFCCVEGCSA-N 1 0 357.292 3.232 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000179473161 705702721 /nfs/dbraw/zinc/70/27/21/705702721.db2.gz WGARQADOEPRJCH-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2nc3ccccc3s2)c1 ZINC000182380237 705838170 /nfs/dbraw/zinc/83/81/70/705838170.db2.gz BHVUSCYPQICVPV-LLVKDONJSA-N 1 0 357.435 3.300 20 10 FGCDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1O ZINC000182501163 705846944 /nfs/dbraw/zinc/84/69/44/705846944.db2.gz ZFANGCOWOFJMEA-BBRMVZONSA-N 1 0 360.479 3.281 20 10 FGCDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000185201469 712688076 /nfs/dbraw/zinc/68/80/76/712688076.db2.gz XUZXDHXKENLAOM-OALUTQOASA-N 1 0 350.478 3.344 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185455822 712694756 /nfs/dbraw/zinc/69/47/56/712694756.db2.gz DLNQNAUYWYHHQO-KBPBESRZSA-N 1 0 350.459 3.451 20 10 FGCDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1O ZINC000185855963 712703451 /nfs/dbraw/zinc/70/34/51/712703451.db2.gz HKCUOAINOSWBNT-JQWIXIFHSA-N 1 0 350.340 3.266 20 10 FGCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2O)c(C)s1 ZINC000186141460 712710527 /nfs/dbraw/zinc/71/05/27/712710527.db2.gz QSZNPGNMCCHYRL-ZDUSSCGKSA-N 1 0 368.524 3.008 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)ccc1O ZINC000228089912 713574257 /nfs/dbraw/zinc/57/42/57/713574257.db2.gz ALSJXAGRDSGZJP-SMDDNHRTSA-N 1 0 355.276 3.206 20 10 FGCDRO C[C@H](c1ccccc1Cl)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237422479 713591388 /nfs/dbraw/zinc/59/13/88/713591388.db2.gz RBWDHENQUVROKC-OAHLLOKOSA-N 1 0 357.885 3.370 20 10 FGCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000237462911 713592061 /nfs/dbraw/zinc/59/20/61/713592061.db2.gz ZAMJILRXPVYKQX-LBPRGKRZSA-N 1 0 364.287 3.276 20 10 FGCDRO COc1ccccc1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000255435572 713695969 /nfs/dbraw/zinc/69/59/69/713695969.db2.gz CVCCTPYMSHTXFD-XNTDXEJSSA-N 1 0 364.536 3.484 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000381243218 713978260 /nfs/dbraw/zinc/97/82/60/713978260.db2.gz KSONDDIZFLATPT-HIFRSBDPSA-N 1 0 350.459 3.184 20 10 FGCDRO COCCN(CC[NH2+][C@@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000385496623 713983808 /nfs/dbraw/zinc/98/38/08/713983808.db2.gz UZTCAQSGXXTTOO-HNNXBMFYSA-N 1 0 352.475 3.235 20 10 FGCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000779166319 724397636 /nfs/dbraw/zinc/39/76/36/724397636.db2.gz MLHCVOFUVJWOQO-QEFXCSQDSA-N 1 0 350.478 3.485 20 10 FGCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000779166320 724397760 /nfs/dbraw/zinc/39/77/60/724397760.db2.gz MLHCVOFUVJWOQO-RCDYEMGKSA-N 1 0 350.478 3.485 20 10 FGCDRO CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)ccc1O ZINC000774381283 723887066 /nfs/dbraw/zinc/88/70/66/723887066.db2.gz AXVNSQYYNSNRJG-HNNXBMFYSA-N 1 0 369.303 3.060 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)[C@@]12CCCO2 ZINC000781424796 724563611 /nfs/dbraw/zinc/56/36/11/724563611.db2.gz YXMDWNANKAMANV-ZCNNSNEGSA-N 1 0 350.478 3.488 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000725848874 722424838 /nfs/dbraw/zinc/42/48/38/722424838.db2.gz AVTDNEPEIZBBAP-ZDUSSCGKSA-N 1 0 364.467 3.013 20 10 FGCDRO COc1cccc(C[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)c1O ZINC000732228606 722482807 /nfs/dbraw/zinc/48/28/07/722482807.db2.gz QXZOVDZUHUTSET-UHFFFAOYSA-N 1 0 355.221 3.436 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)c1 ZINC000733328143 722495654 /nfs/dbraw/zinc/49/56/54/722495654.db2.gz INJBDTBKZKQGFM-UHFFFAOYSA-N 1 0 373.254 3.334 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000734159570 722504802 /nfs/dbraw/zinc/50/48/02/722504802.db2.gz QNTAERQICVGYFB-UHFFFAOYSA-N 1 0 359.813 3.437 20 10 FGCDRO CCn1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000742384947 722556640 /nfs/dbraw/zinc/55/66/40/722556640.db2.gz NGLXSPUYLIKYSK-OAHLLOKOSA-N 1 0 350.413 3.263 20 10 FGCDRO CCCCNC(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743871099 722572091 /nfs/dbraw/zinc/57/20/91/722572091.db2.gz QORDJESXFDJEQQ-LBPRGKRZSA-N 1 0 357.292 3.281 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)cc1F ZINC000746757112 722617026 /nfs/dbraw/zinc/61/70/26/722617026.db2.gz ZYVUUGYMNOBEEB-UHFFFAOYSA-N 1 0 357.351 3.474 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000753136974 722886692 /nfs/dbraw/zinc/88/66/92/722886692.db2.gz GIRFJNYZFRWUHM-OALUTQOASA-N 1 0 361.555 3.071 20 10 FGCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCC1 ZINC000754101552 722927490 /nfs/dbraw/zinc/92/74/90/722927490.db2.gz GVTVIOVTPUQSNY-LLVKDONJSA-N 1 0 355.276 3.112 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c(O)c1 ZINC000756345378 722963114 /nfs/dbraw/zinc/96/31/14/722963114.db2.gz XFSZAHWVMUQCIF-SJLPKXTDSA-N 1 0 359.539 3.401 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(F)cc(F)c1[O-] ZINC000756433894 722964552 /nfs/dbraw/zinc/96/45/52/722964552.db2.gz ZWRYIXBIXSRTDQ-CYBMUJFWSA-N 1 0 350.409 3.462 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000756489629 722965487 /nfs/dbraw/zinc/96/54/87/722965487.db2.gz QIDRQALJTPZLOI-GRZMOONWSA-N 1 0 373.266 3.249 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756633227 722967977 /nfs/dbraw/zinc/96/79/77/722967977.db2.gz GMLLHKABJHUHQF-WBMJQRKESA-N 1 0 363.454 3.414 20 10 FGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)N1CCCC1 ZINC000756703549 722968877 /nfs/dbraw/zinc/96/88/77/722968877.db2.gz DQYNABZCSYZRPM-LRDDRELGSA-N 1 0 369.303 3.452 20 10 FGCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000759571987 723009575 /nfs/dbraw/zinc/00/95/75/723009575.db2.gz YQTXHNOWGAXWNK-ZNMIVQPWSA-N 1 0 370.588 3.291 20 10 FGCDRO CCOc1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c(O)c1 ZINC000760702432 723083680 /nfs/dbraw/zinc/08/36/80/723083680.db2.gz WICJAXGSSFXWQE-UHFFFAOYSA-N 1 0 356.344 3.373 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1O ZINC000763663087 723358946 /nfs/dbraw/zinc/35/89/46/723358946.db2.gz UTZROMOTODIUOE-CQSZACIVSA-N 1 0 371.319 3.054 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000793265269 723418710 /nfs/dbraw/zinc/41/87/10/723418710.db2.gz HHZBKGDUMMKAOS-MRXNPFEDSA-N 1 0 363.255 3.088 20 10 FGCDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038637 723472208 /nfs/dbraw/zinc/47/22/08/723472208.db2.gz NIARKOIYDLKYKV-GVDBMIGSSA-N 1 0 363.933 3.454 20 10 FGCDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981585 723549980 /nfs/dbraw/zinc/54/99/80/723549980.db2.gz XAEBATMPXNRJHR-WMZOPIPTSA-N 1 0 352.544 3.226 20 10 FGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000766073457 723554083 /nfs/dbraw/zinc/55/40/83/723554083.db2.gz WJFIJIXTCQDONK-GFCCVEGCSA-N 1 0 371.553 3.348 20 10 FGCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000795687203 723605841 /nfs/dbraw/zinc/60/58/41/723605841.db2.gz JQUUOGUYONRUSB-QGZVFWFLSA-N 1 0 353.340 3.473 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000796491068 723639951 /nfs/dbraw/zinc/63/99/51/723639951.db2.gz PCUHYENYLNWLAQ-MRXNPFEDSA-N 1 0 352.544 3.368 20 10 FGCDRO C[N@H+](Cc1csc(Br)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439242 723657563 /nfs/dbraw/zinc/65/75/63/723657563.db2.gz DSYXDUBZLDZWGY-CYBMUJFWSA-N 1 0 370.268 3.274 20 10 FGCDRO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768445834 723658021 /nfs/dbraw/zinc/65/80/21/723658021.db2.gz JSTKHUCORZYGCV-HKUYNNGSSA-N 1 0 357.475 3.417 20 10 FGCDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1O)OC[C@H]3O)CCC2 ZINC000768463773 723658458 /nfs/dbraw/zinc/65/84/58/723658458.db2.gz WWNCPDRSLGZRSK-GDBMZVCRSA-N 1 0 360.479 3.346 20 10 FGCDRO CCCCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915062 723672083 /nfs/dbraw/zinc/67/20/83/723672083.db2.gz INKSUVAMYQDZIP-YOEHRIQHSA-N 1 0 368.905 3.331 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1O ZINC000769314253 723682152 /nfs/dbraw/zinc/68/21/52/723682152.db2.gz WVODGTYUPQXUAG-AWEZNQCLSA-N 1 0 366.259 3.197 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1F ZINC000769416577 723684904 /nfs/dbraw/zinc/68/49/04/723684904.db2.gz ZLNHBALBBXMIQJ-KRWDZBQOSA-N 1 0 350.478 3.490 20 10 FGCDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769473893 723686580 /nfs/dbraw/zinc/68/65/80/723686580.db2.gz QDZFYOGLQLXQRM-MOPGFXCFSA-N 1 0 350.478 3.298 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c(O)c1 ZINC000769514240 723688454 /nfs/dbraw/zinc/68/84/54/723688454.db2.gz HTOSDONXLWDWNH-AWEZNQCLSA-N 1 0 360.420 3.497 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000770389436 723712664 /nfs/dbraw/zinc/71/26/64/723712664.db2.gz WIEKWXWRTIRSKI-UONOGXRCSA-N 1 0 350.459 3.136 20 10 FGCDRO Cc1cccnc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771056634 723726884 /nfs/dbraw/zinc/72/68/84/723726884.db2.gz FSNUSKRCFRJZRH-INIZCTEOSA-N 1 0 359.857 3.143 20 10 FGCDRO CC(C)CO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771060778 723726951 /nfs/dbraw/zinc/72/69/51/723726951.db2.gz YVCMMNUSCCRTAN-RHSMWYFYSA-N 1 0 368.905 3.187 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1F ZINC000775620143 724011564 /nfs/dbraw/zinc/01/15/64/724011564.db2.gz BKAFLIZSDJVIGZ-CVEARBPZSA-N 1 0 351.466 3.427 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000799336136 724013456 /nfs/dbraw/zinc/01/34/56/724013456.db2.gz INFCHXWMPAFSAN-UHFFFAOYSA-N 1 0 354.376 3.196 20 10 FGCDRO COC(=O)C[N@H+](Cc1cc(Br)cc(C)c1O)C1CCCC1 ZINC000775724669 724031259 /nfs/dbraw/zinc/03/12/59/724031259.db2.gz GRJALSKXCRYPBX-UHFFFAOYSA-N 1 0 356.260 3.381 20 10 FGCDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775833451 724069437 /nfs/dbraw/zinc/06/94/37/724069437.db2.gz JFBJIOJOAJPQKK-HNNXBMFYSA-N 1 0 364.486 3.406 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C)c2O)s1 ZINC000776079555 724107551 /nfs/dbraw/zinc/10/75/51/724107551.db2.gz BBWJXKRXHTYKJS-UHFFFAOYSA-N 1 0 368.524 3.082 20 10 FGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000776167198 724115344 /nfs/dbraw/zinc/11/53/44/724115344.db2.gz KOGFKGVVKBGFTC-GTYSZEQSSA-N 1 0 350.478 3.372 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000776174937 724115580 /nfs/dbraw/zinc/11/55/80/724115580.db2.gz FULZJZTYLYBPBU-DOTOQJQBSA-N 1 0 355.356 3.025 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)cc1OC ZINC000776219715 724120706 /nfs/dbraw/zinc/12/07/06/724120706.db2.gz GUSAJYPDTWVBAG-YPMLDQLKSA-N 1 0 369.820 3.414 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1O ZINC000776253598 724123973 /nfs/dbraw/zinc/12/39/73/724123973.db2.gz SPUWRTUATMDQBV-SFHVURJKSA-N 1 0 362.267 3.387 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c1 ZINC000776692812 724171038 /nfs/dbraw/zinc/17/10/38/724171038.db2.gz DNOZLUYXADNLIW-KBPBESRZSA-N 1 0 350.459 3.231 20 10 FGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800492682 724202585 /nfs/dbraw/zinc/20/25/85/724202585.db2.gz DYQYVDQEFCBBPD-LSDHHAIUSA-N 1 0 372.962 3.489 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000800505673 724205160 /nfs/dbraw/zinc/20/51/60/724205160.db2.gz XCTFWTHWCDOPMU-KRWDZBQOSA-N 1 0 360.523 3.061 20 10 FGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2O)cc1 ZINC000786579304 724989833 /nfs/dbraw/zinc/98/98/33/724989833.db2.gz OQBQHWUMXZPIBL-KRWDZBQOSA-N 1 0 364.283 3.465 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)c2c1c(F)ccc2O ZINC000786964626 725010392 /nfs/dbraw/zinc/01/03/92/725010392.db2.gz ZJHJYYSXWUVFTG-SKDRFNHKSA-N 1 0 355.456 3.334 20 10 FGCDRO COCCOCC[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000808237467 725189153 /nfs/dbraw/zinc/18/91/53/725189153.db2.gz RWIIQOFGOOAYTN-UHFFFAOYSA-N 1 0 368.271 3.403 20 10 FGCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808706571 725214364 /nfs/dbraw/zinc/21/43/64/725214364.db2.gz NICREHNTRIVILG-FZMZJTMJSA-N 1 0 360.907 3.146 20 10 FGCDRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000809691170 725258943 /nfs/dbraw/zinc/25/89/43/725258943.db2.gz IXFPLQILRFWGRZ-MRXNPFEDSA-N 1 0 350.459 3.282 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000809710469 725261258 /nfs/dbraw/zinc/26/12/58/725261258.db2.gz YXEVSCATMGTCEI-AWEZNQCLSA-N 1 0 356.850 3.107 20 10 FGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@H]1C ZINC000809713370 725261621 /nfs/dbraw/zinc/26/16/21/725261621.db2.gz NLUZRRFNZGKKCJ-MJVIPROJSA-N 1 0 356.260 3.222 20 10 FGCDRO Cc1cc(C[NH2+]Cc2cc(Br)ccc2O)ccc1-n1cncn1 ZINC000809713767 725261889 /nfs/dbraw/zinc/26/18/89/725261889.db2.gz ZGJLZWSPRVRDBB-UHFFFAOYSA-N 1 0 373.254 3.334 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1O ZINC000809720746 725262524 /nfs/dbraw/zinc/26/25/24/725262524.db2.gz MBIRVFSPQDRHTJ-INIZCTEOSA-N 1 0 350.459 3.280 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCCN(CC(F)F)CC2)c1O ZINC000809756227 725265759 /nfs/dbraw/zinc/26/57/59/725265759.db2.gz FJPCBVSYAQIFSG-UHFFFAOYSA-N 1 0 363.246 3.236 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810235709 725298609 /nfs/dbraw/zinc/29/86/09/725298609.db2.gz UIHSKTWTBNHSEM-OCCSQVGLSA-N 1 0 365.417 3.419 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(C(F)(F)F)cc1O ZINC000810240875 725299091 /nfs/dbraw/zinc/29/90/91/725299091.db2.gz HSXVKTHAGISXTM-OAHLLOKOSA-N 1 0 357.376 3.495 20 10 FGCDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000813684438 726904942 /nfs/dbraw/zinc/90/49/42/726904942.db2.gz IQBBNIXPYSIDQW-UHFFFAOYSA-N 1 0 354.237 3.086 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1O ZINC000816624874 727181988 /nfs/dbraw/zinc/18/19/88/727181988.db2.gz JYGYKIKTEHUONZ-QGZVFWFLSA-N 1 0 364.283 3.499 20 10 FGCDRO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817966751 727289806 /nfs/dbraw/zinc/28/98/06/727289806.db2.gz VCOHOLYLPDQPMB-BEFAXECRSA-N 1 0 351.922 3.217 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3cccc(Cl)c3)C2)cc1 ZINC000819379409 727371982 /nfs/dbraw/zinc/37/19/82/727371982.db2.gz HMWPHZGFASJUFU-QRWLVFNGSA-N 1 0 360.885 3.498 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000819376880 727372030 /nfs/dbraw/zinc/37/20/30/727372030.db2.gz JHNQPQLMTGFCMW-KRWDZBQOSA-N 1 0 360.523 3.056 20 10 FGCDRO COc1cc(O)c(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000822489547 729180921 /nfs/dbraw/zinc/18/09/21/729180921.db2.gz DYGDKRFSXFZWOC-UHFFFAOYSA-N 1 0 364.829 3.100 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1 ZINC000823871798 729310729 /nfs/dbraw/zinc/31/07/29/729310729.db2.gz NUSGHABEIBCKOV-HNNXBMFYSA-N 1 0 352.475 3.287 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000824203640 729324017 /nfs/dbraw/zinc/32/40/17/729324017.db2.gz WUXDPDAOWZQSDZ-SFHVURJKSA-N 1 0 353.495 3.423 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000824445722 729339216 /nfs/dbraw/zinc/33/92/16/729339216.db2.gz LNVFAGUZFXGCKU-ZDUSSCGKSA-N 1 0 353.304 3.379 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1O ZINC000824501920 729343620 /nfs/dbraw/zinc/34/36/20/729343620.db2.gz VLVIIBWBJFZVGZ-INIZCTEOSA-N 1 0 368.246 3.295 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C(F)(F)F)cc1O ZINC000824583763 729349071 /nfs/dbraw/zinc/34/90/71/729349071.db2.gz QHLGVGZWKMPSGE-GDBMZVCRSA-N 1 0 360.420 3.299 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(C(F)(F)F)cc1O ZINC000824584054 729349090 /nfs/dbraw/zinc/34/90/90/729349090.db2.gz VWQRHOKSZGLMCC-HOCLYGCPSA-N 1 0 360.420 3.299 20 10 FGCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000824593876 729349752 /nfs/dbraw/zinc/34/97/52/729349752.db2.gz SULMMEZPUQSIIC-UHFFFAOYSA-N 1 0 366.255 3.158 20 10 FGCDRO C[C@@H]([NH2+]CCSCc1ccccc1-c1nn[nH]n1)c1ccccc1O ZINC000824607297 729350386 /nfs/dbraw/zinc/35/03/86/729350386.db2.gz WVBURTRRMRHUAV-CYBMUJFWSA-N 1 0 355.467 3.156 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1F ZINC000824654669 729353263 /nfs/dbraw/zinc/35/32/63/729353263.db2.gz PPNHKMDEMGJIGC-SQGPQFPESA-N 1 0 350.478 3.034 20 10 FGCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825320076 729378660 /nfs/dbraw/zinc/37/86/60/729378660.db2.gz FMAXCQMQGLQTGL-JTQLQIEISA-N 1 0 352.276 3.226 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1Cl ZINC000825369419 729380778 /nfs/dbraw/zinc/38/07/78/729380778.db2.gz BJKBHHMXAOQJAM-CYBMUJFWSA-N 1 0 362.821 3.009 20 10 FGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000825489041 729384943 /nfs/dbraw/zinc/38/49/43/729384943.db2.gz CIRJQFNBOKWDHR-AWEZNQCLSA-N 1 0 354.244 3.485 20 10 FGCDRO OC[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCCc2ccccc21 ZINC000825773666 729395017 /nfs/dbraw/zinc/39/50/17/729395017.db2.gz MWTHUCPHLUHLLZ-SFHVURJKSA-N 1 0 362.267 3.468 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2c(C3CC3)cnn2C)c1O ZINC000827252231 729427625 /nfs/dbraw/zinc/42/76/25/729427625.db2.gz ZLJUWXIGDVKKOH-UHFFFAOYSA-N 1 0 350.260 3.364 20 10 FGCDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320576 729428615 /nfs/dbraw/zinc/42/86/15/729428615.db2.gz LNNGUXLLAKJDON-OALUTQOASA-N 1 0 361.555 3.154 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1O ZINC000827594390 729432111 /nfs/dbraw/zinc/43/21/11/729432111.db2.gz FZKKRGUYQWWSGJ-QGZVFWFLSA-N 1 0 372.303 3.120 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000827686948 729433384 /nfs/dbraw/zinc/43/33/84/729433384.db2.gz ICCUHJDDFLIYFL-ZDUSSCGKSA-N 1 0 369.303 3.200 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000832271977 729701265 /nfs/dbraw/zinc/70/12/65/729701265.db2.gz BANUPKKGXPNIEK-MSOLQXFVSA-N 1 0 355.507 3.148 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2csc3ccccc23)cc1 ZINC000832272292 729701356 /nfs/dbraw/zinc/70/13/56/729701356.db2.gz DUNPJMVPTBSFEC-GOSISDBHSA-N 1 0 353.491 3.326 20 10 FGCDRO CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(C)cc1O ZINC000834840575 729838311 /nfs/dbraw/zinc/83/83/11/729838311.db2.gz KSIORQXJILXXKX-OAHLLOKOSA-N 1 0 365.271 3.366 20 10 FGCDRO CSc1ccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1 ZINC000838062312 730088015 /nfs/dbraw/zinc/08/80/15/730088015.db2.gz SFUPJZSAAKZOMF-QGZVFWFLSA-N 1 0 359.495 3.216 20 10 FGCDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C(C)(C)O1 ZINC000840761671 730170609 /nfs/dbraw/zinc/17/06/09/730170609.db2.gz ZSCCQEIAQQLJIE-INIZCTEOSA-N 1 0 354.441 3.237 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(Cl)c1 ZINC000840892328 730188993 /nfs/dbraw/zinc/18/89/93/730188993.db2.gz QYPIZFNCFFKJBR-NSHDSACASA-N 1 0 357.784 3.162 20 10 FGCDRO Cc1cc(O)c(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000840909114 730190031 /nfs/dbraw/zinc/19/00/31/730190031.db2.gz PQKIJQRWVRXGFR-MSOLQXFVSA-N 1 0 352.906 3.212 20 10 FGCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)c1 ZINC000840959286 730197675 /nfs/dbraw/zinc/19/76/75/730197675.db2.gz QLADINMTINVYAV-QGZVFWFLSA-N 1 0 366.255 3.329 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000840977165 730200182 /nfs/dbraw/zinc/20/01/82/730200182.db2.gz TVKBOEOLBQUBHH-MRXNPFEDSA-N 1 0 360.523 3.185 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(Br)c(F)c2)cc1 ZINC000841045736 730205938 /nfs/dbraw/zinc/20/59/38/730205938.db2.gz PBQQAXJGHZUVQO-QGZVFWFLSA-N 1 0 366.278 3.444 20 10 FGCDRO Cc1cc(Br)cc(CNc2ccc(OCC[NH3+])cc2)c1O ZINC000841054112 730206616 /nfs/dbraw/zinc/20/66/16/730206616.db2.gz GBGRWUFSWWVKID-UHFFFAOYSA-N 1 0 351.244 3.413 20 10 FGCDRO Nc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000841297353 730231190 /nfs/dbraw/zinc/23/11/90/730231190.db2.gz PETLPAIBDVKABR-UHFFFAOYSA-N 1 0 356.392 3.196 20 10 FGCDRO CC[NH+](CC)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccsc1 ZINC000841693495 730264974 /nfs/dbraw/zinc/26/49/74/730264974.db2.gz QETAKVYGGOFVEI-GOSISDBHSA-N 1 0 360.527 3.255 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)cc1O ZINC000841745542 730270189 /nfs/dbraw/zinc/27/01/89/730270189.db2.gz PSVGGKGDAQVJDK-RDTXWAMCSA-N 1 0 360.885 3.115 20 10 FGCDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752709 730270816 /nfs/dbraw/zinc/27/08/16/730270816.db2.gz VFSFEGOARXOUJH-STQMWFEESA-N 1 0 357.841 3.495 20 10 FGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841757844 730271371 /nfs/dbraw/zinc/27/13/71/730271371.db2.gz GDBHFRFZLIXNFF-ADLMAVQZSA-N 1 0 351.830 3.447 20 10 FGCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841895328 730283681 /nfs/dbraw/zinc/28/36/81/730283681.db2.gz CMAOEYWJXKBNCT-UKRRQHHQSA-N 1 0 352.910 3.113 20 10 FGCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841895999 730283938 /nfs/dbraw/zinc/28/39/38/730283938.db2.gz IROGVQNEOFMSST-KGLIPLIRSA-N 1 0 352.910 3.113 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NCC(C)(C)[NH3+])cc2Cl)C1 ZINC000841897525 730284218 /nfs/dbraw/zinc/28/42/18/730284218.db2.gz WDBHSIQKGDQKSX-CYBMUJFWSA-N 1 0 352.910 3.113 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000841997465 730286852 /nfs/dbraw/zinc/28/68/52/730286852.db2.gz XKTMJBRLLJSERN-LBPRGKRZSA-N 1 0 372.307 3.204 20 10 FGCDRO COc1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC000842626165 730521385 /nfs/dbraw/zinc/52/13/85/730521385.db2.gz VEPPTSUBVFNYCS-IBGZPJMESA-N 1 0 351.512 3.406 20 10 FGCDRO COc1cc(Br)cc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1O ZINC000843047913 730574013 /nfs/dbraw/zinc/57/40/13/730574013.db2.gz BGFIEKCRQQZWNO-CABCVRRESA-N 1 0 369.303 3.270 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1O ZINC000843118273 730587955 /nfs/dbraw/zinc/58/79/55/730587955.db2.gz XJODPNPCGDRFQG-MRXNPFEDSA-N 1 0 350.821 3.340 20 10 FGCDRO C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000843129950 730589358 /nfs/dbraw/zinc/58/93/58/730589358.db2.gz VDSXIASYEVEGNX-JGVFFNPUSA-N 1 0 366.097 3.133 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1O ZINC000843409676 730616613 /nfs/dbraw/zinc/61/66/13/730616613.db2.gz UMSYAKFIFJETTH-UKRRQHHQSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(F)c1 ZINC000844268242 730696241 /nfs/dbraw/zinc/69/62/41/730696241.db2.gz HDUVWDKHKZRYFD-OQLLNIDSSA-N 1 0 366.483 3.130 20 10 FGCDRO FC1(F)C(F)(F)C12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000846013735 730918516 /nfs/dbraw/zinc/91/85/16/730918516.db2.gz AKRDFACAJAYQCU-UHFFFAOYSA-N 1 0 358.379 3.390 20 10 FGCDRO O=C(NCCCSc1nccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847487370 731058224 /nfs/dbraw/zinc/05/82/24/731058224.db2.gz DVNOXJNBNSIULT-INIZCTEOSA-N 1 0 361.536 3.264 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCC2(CO)CCC2)c1O ZINC000848555429 731181091 /nfs/dbraw/zinc/18/10/91/731181091.db2.gz ASSAZGXDHYOOMS-LLVKDONJSA-N 1 0 358.276 3.367 20 10 FGCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000848895716 731218310 /nfs/dbraw/zinc/21/83/10/731218310.db2.gz WSGYWUAPLYWVCF-UHFFFAOYSA-N 1 0 360.479 3.218 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1O ZINC000848925034 731221375 /nfs/dbraw/zinc/22/13/75/731221375.db2.gz LKQNNBWWYXASIH-UHFFFAOYSA-N 1 0 363.845 3.196 20 10 FGCDRO COc1cccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1O ZINC000849091263 731228041 /nfs/dbraw/zinc/22/80/41/731228041.db2.gz QAGXLXXOXQZETD-UHFFFAOYSA-N 1 0 353.344 3.234 20 10 FGCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850034084 731311551 /nfs/dbraw/zinc/31/15/51/731311551.db2.gz HAYPCUHXSHYYML-UHFFFAOYSA-N 1 0 370.444 3.282 20 10 FGCDRO COc1cc(C[NH2+]C[C@@]2(N(C)C)CCSC2)c(O)c(C(C)(C)C)c1 ZINC000850171202 731328703 /nfs/dbraw/zinc/32/87/03/731328703.db2.gz ZVTWQMWUODXQOY-IBGZPJMESA-N 1 0 352.544 3.225 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1F ZINC000850348046 731345744 /nfs/dbraw/zinc/34/57/44/731345744.db2.gz DDYCEVIMAGISFS-QHCPKHFHSA-N 1 0 354.413 3.073 20 10 FGCDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850424008 731355479 /nfs/dbraw/zinc/35/54/79/731355479.db2.gz FNQIBRMVQACIIF-LJQANCHMSA-N 1 0 364.555 3.161 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCC(O)(C(F)(F)F)CC3)C2)cc1 ZINC000850489428 731362769 /nfs/dbraw/zinc/36/27/69/731362769.db2.gz UGAPQRCZNGDZMT-UUCFBXCCSA-N 1 0 358.404 3.100 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000850501806 731365674 /nfs/dbraw/zinc/36/56/74/731365674.db2.gz POEGAZANGXGQKZ-FAXLKDOZSA-N 1 0 372.303 3.371 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000850547173 731371718 /nfs/dbraw/zinc/37/17/18/731371718.db2.gz RSODGQXXBPYXDS-FZZIBODNSA-N 1 0 356.260 3.117 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cncc(C)n2)c1O ZINC000850550714 731372029 /nfs/dbraw/zinc/37/20/29/731372029.db2.gz PPVPIPSEXCPFQN-NSHDSACASA-N 1 0 366.259 3.155 20 10 FGCDRO CC[C@@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000850559096 731373291 /nfs/dbraw/zinc/37/32/91/731373291.db2.gz XIDDTJWCGYUEND-CYBMUJFWSA-N 1 0 365.417 3.419 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc(Cl)c1[O-] ZINC000854232611 731806405 /nfs/dbraw/zinc/80/64/05/731806405.db2.gz VLQSGLZPMORIPG-QGZVFWFLSA-N 1 0 367.921 3.077 20 10 FGCDRO COc1ncc(Br)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000858249278 732196718 /nfs/dbraw/zinc/19/67/18/732196718.db2.gz NJTCKLNHDJPTII-UHFFFAOYSA-N 1 0 350.260 3.209 20 10 FGCDRO O[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000858293949 732201233 /nfs/dbraw/zinc/20/12/33/732201233.db2.gz BNYSYTNBSVDOOM-GASCZTMLSA-N 1 0 353.304 3.300 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000858498834 732220855 /nfs/dbraw/zinc/22/08/55/732220855.db2.gz VXJNBFYSQPQLDN-FSPWUOQZSA-N 1 0 362.495 3.056 20 10 FGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000858505542 732221512 /nfs/dbraw/zinc/22/15/12/732221512.db2.gz MBRACTICESXPDZ-GWCFXTLKSA-N 1 0 354.244 3.457 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000858527213 732223823 /nfs/dbraw/zinc/22/38/23/732223823.db2.gz PGXJPSBJFORTRM-TZMCWYRMSA-N 1 0 370.877 3.332 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1O ZINC000858563892 732227356 /nfs/dbraw/zinc/22/73/56/732227356.db2.gz ADLHVVWHOIVTNN-LLVKDONJSA-N 1 0 362.813 3.106 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2Cl)C1 ZINC000863554851 732976579 /nfs/dbraw/zinc/97/65/79/732976579.db2.gz JMGXQAMNEXCEKU-FUHWJXTLSA-N 1 0 365.949 3.123 20 10 FGCDRO CCc1nc(CC[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cs1 ZINC000873036260 735713063 /nfs/dbraw/zinc/71/30/63/735713063.db2.gz UUUPVJMQWNJJHC-UHFFFAOYSA-N 1 0 356.495 3.291 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)cc(F)c1[O-] ZINC000873263056 735744419 /nfs/dbraw/zinc/74/44/19/735744419.db2.gz FAISCHKHFGHJQM-DJIHRAIXSA-N 1 0 357.267 3.475 20 10 FGCDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sn1 ZINC000876946881 736166368 /nfs/dbraw/zinc/16/63/68/736166368.db2.gz XFRARYGAPBARDP-STQMWFEESA-N 1 0 365.474 3.194 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]CCOc3ccccc3Cl)cc2)CC1 ZINC000877113464 736188553 /nfs/dbraw/zinc/18/85/53/736188553.db2.gz LLUPKDHZGOWGRA-UHFFFAOYSA-N 1 0 360.885 3.470 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Br)ccc1O ZINC000883276598 737545190 /nfs/dbraw/zinc/54/51/90/737545190.db2.gz NCZNIWVAOLFRLT-AAEUAGOBSA-N 1 0 354.244 3.250 20 10 FGCDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747506 739290958 /nfs/dbraw/zinc/29/09/58/739290958.db2.gz WLTYGPYIUXIPGE-HNNXBMFYSA-N 1 0 357.523 3.171 20 10 FGCDRO O=C(NCc1cccc(Cl)c1O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000891519984 739910681 /nfs/dbraw/zinc/91/06/81/739910681.db2.gz BNJQBKDLJAFNMD-OAHLLOKOSA-N 1 0 363.845 3.275 20 10 FGCDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000892204334 739975254 /nfs/dbraw/zinc/97/52/54/739975254.db2.gz KJBAMJFGICXMME-YMXBGEKHSA-N 1 0 363.479 3.340 20 10 FGCDRO C[N@H+](Cc1cc(Br)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894749262 742326934 /nfs/dbraw/zinc/32/69/34/742326934.db2.gz XPJAGULYACHYID-PBWFPOADSA-N 1 0 357.267 3.351 20 10 FGCDRO CO[C@]12CCC[C@@]1([NH2+]Cc1cc(C)cc(Br)c1[O-])CCO2 ZINC000896411522 742547136 /nfs/dbraw/zinc/54/71/36/742547136.db2.gz HMLXDZXWVKBEPB-CVEARBPZSA-N 1 0 356.260 3.238 20 10 FGCDRO Cn1ccc(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000896497152 742559136 /nfs/dbraw/zinc/55/91/36/742559136.db2.gz ZILMNGBPXKFZIG-UHFFFAOYSA-N 1 0 350.260 3.268 20 10 FGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(OC)c3O)C2)n1 ZINC000897043438 742635438 /nfs/dbraw/zinc/63/54/38/742635438.db2.gz LKMJOFQDDYWHSL-GXFFZTMASA-N 1 0 351.834 3.426 20 10 FGCDRO CC[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000903211871 743822679 /nfs/dbraw/zinc/82/26/79/743822679.db2.gz FLKDZKFZOBMGPI-BXUZGUMPSA-N 1 0 355.276 3.064 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1O ZINC000903433827 743850408 /nfs/dbraw/zinc/85/04/08/743850408.db2.gz FRWYHCUDBDOZSX-ONGXEEELSA-N 1 0 369.252 3.124 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)c1O ZINC000903439605 743851998 /nfs/dbraw/zinc/85/19/98/743851998.db2.gz GGXPUAXTIHNOFI-QCZZGDTMSA-N 1 0 356.260 3.239 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC000903477856 743854265 /nfs/dbraw/zinc/85/42/65/743854265.db2.gz DCNJLPVTEBKIBJ-NWDGAFQWSA-N 1 0 350.260 3.325 20 10 FGCDRO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000917488287 758227748 /nfs/dbraw/zinc/22/77/48/758227748.db2.gz OTOQYZZLLBMJNR-UHFFFAOYSA-N 1 0 356.491 3.291 20 10 FGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000921575099 758748779 /nfs/dbraw/zinc/74/87/79/758748779.db2.gz OOHSIDFRUGSPBN-ZIFCJYIRSA-N 1 0 361.555 3.152 20 10 FGCDRO FC(F)(F)[C@@H]1CC[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922680138 758977518 /nfs/dbraw/zinc/97/75/18/758977518.db2.gz TZLNSTWNABBRIS-IRXDYDNUSA-N 1 0 358.404 3.113 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2F)CC1 ZINC000924759174 759380369 /nfs/dbraw/zinc/38/03/69/759380369.db2.gz GDTMRUBZCDKUJU-ZXFUBFMLSA-N 1 0 350.503 3.303 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1(Br)CC1 ZINC000924792555 759393349 /nfs/dbraw/zinc/39/33/49/759393349.db2.gz DGVHFIJRESMXBT-UONOGXRCSA-N 1 0 353.304 3.490 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1(Br)CC1 ZINC000926724383 759810214 /nfs/dbraw/zinc/81/02/14/759810214.db2.gz KAPXOVYCDBQOGL-ZDUSSCGKSA-N 1 0 353.304 3.053 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cc(C)n(C)n2)c1O ZINC000926912047 759847153 /nfs/dbraw/zinc/84/71/53/759847153.db2.gz VIRJUWVDLBFYKU-NSHDSACASA-N 1 0 368.275 3.099 20 10 FGCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779014168 724380813 /nfs/dbraw/zinc/38/08/13/724380813.db2.gz WFJMDHDGSMHWMJ-NSHDSACASA-N 1 0 371.275 3.345 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090055575 494434463 /nfs/dbraw/zinc/43/44/63/494434463.db2.gz SJHIDTZYUVZVCZ-YWZLYKJASA-N 1 0 350.478 3.254 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045817010 494467189 /nfs/dbraw/zinc/46/71/89/494467189.db2.gz OPYMAXCMSICVHA-UHFFFAOYSA-N 1 0 353.466 3.198 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000126907533 494860607 /nfs/dbraw/zinc/86/06/07/494860607.db2.gz BQKRHLPIWCTVRB-SFHVURJKSA-N 1 0 352.482 3.047 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000111405525 495071163 /nfs/dbraw/zinc/07/11/63/495071163.db2.gz GKLUXIUWUCZZEY-UHFFFAOYSA-N 1 0 354.450 3.203 20 10 FGCDRO COc1cccc(CC(=O)N2CCC([NH2+]Cc3cc(C)ccc3O)CC2)c1 ZINC000113331435 495298088 /nfs/dbraw/zinc/29/80/88/495298088.db2.gz SLHZTSZHKDBFHM-UHFFFAOYSA-N 1 0 368.477 3.033 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000120547493 495402872 /nfs/dbraw/zinc/40/28/72/495402872.db2.gz UUADOMZFMSWTOP-RXVVDRJESA-N 1 0 372.557 3.405 20 10 FGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)CN1CC[NH+](C)CC1 ZINC000120783285 495456839 /nfs/dbraw/zinc/45/68/39/495456839.db2.gz WHQWEMFQEHENII-UXHICEINSA-N 1 0 358.574 3.211 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580568296 505788135 /nfs/dbraw/zinc/78/81/35/505788135.db2.gz BXUNGDVTSKJWDA-SFHVURJKSA-N 1 0 365.477 3.000 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000158606647 495548826 /nfs/dbraw/zinc/54/88/26/495548826.db2.gz ADEYETBORYTHHA-CABCVRRESA-N 1 0 363.479 3.222 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000179899140 495775725 /nfs/dbraw/zinc/77/57/25/495775725.db2.gz YKZLJCCLSOJDSD-UHFFFAOYSA-N 1 0 374.506 3.033 20 10 FGCDRO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(O)c1O ZINC000182988582 495787062 /nfs/dbraw/zinc/78/70/62/495787062.db2.gz UOVSNRRVVJORPW-UHFFFAOYSA-N 1 0 369.465 3.189 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186021847 495825125 /nfs/dbraw/zinc/82/51/25/495825125.db2.gz SSJJSURTVQHIFF-ABAIWWIYSA-N 1 0 356.388 3.085 20 10 FGCDRO C[C@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)ccc1O ZINC000186073925 495846019 /nfs/dbraw/zinc/84/60/19/495846019.db2.gz QCBDHMLVWXLMRV-LBPRGKRZSA-N 1 0 358.276 3.391 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000183146362 495853876 /nfs/dbraw/zinc/85/38/76/495853876.db2.gz FRZIDMIDQGEBOX-OSPHWJPCSA-N 1 0 365.882 3.458 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc(Br)ccc1O ZINC000186178998 495885919 /nfs/dbraw/zinc/88/59/19/495885919.db2.gz ABKDTHRTAAIAEO-NSHDSACASA-N 1 0 350.260 3.467 20 10 FGCDRO CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Br)ccc1O ZINC000155280068 495902814 /nfs/dbraw/zinc/90/28/14/495902814.db2.gz ZRVIODPRUSDFCI-INIZCTEOSA-N 1 0 371.319 3.042 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904080 496578766 /nfs/dbraw/zinc/57/87/66/496578766.db2.gz HTNAPOWDIDQJLR-OXQOHEQNSA-N 1 0 356.466 3.125 20 10 FGCDRO Cc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158050264 496616114 /nfs/dbraw/zinc/61/61/14/496616114.db2.gz OTSRHQKYVPCWQK-GOSISDBHSA-N 1 0 373.884 3.072 20 10 FGCDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(C)c3O)CC2)cc1 ZINC000182125478 496678389 /nfs/dbraw/zinc/67/83/89/496678389.db2.gz TVYCNKGTSHLILW-UHFFFAOYSA-N 1 0 368.477 3.494 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000273555622 496837770 /nfs/dbraw/zinc/83/77/70/496837770.db2.gz GWMHTUHMGJMFHB-ZBOXLXRLSA-N 1 0 355.276 3.110 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000277978877 496958551 /nfs/dbraw/zinc/95/85/51/496958551.db2.gz TVUFMBSECKQYBK-ZFWWWQNUSA-N 1 0 350.459 3.136 20 10 FGCDRO CN(C)c1ccc(C[N@H+](CCC(=O)Nc2cc(N)ccc2F)C2CC2)cc1 ZINC000269547370 496968548 /nfs/dbraw/zinc/96/85/48/496968548.db2.gz XDNUHPYNDWWDIG-UHFFFAOYSA-N 1 0 370.472 3.467 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c(O)c1C ZINC000274331104 497072293 /nfs/dbraw/zinc/07/22/93/497072293.db2.gz ZYCIRWHIAXCKNE-HNNXBMFYSA-N 1 0 359.445 3.231 20 10 FGCDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1nc(C)cs1 ZINC000278472378 497126600 /nfs/dbraw/zinc/12/66/00/497126600.db2.gz HLRAZNQNBDUFQS-MRXNPFEDSA-N 1 0 351.428 3.489 20 10 FGCDRO c1cnc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC000236672678 497129617 /nfs/dbraw/zinc/12/96/17/497129617.db2.gz VJEPMBLVDGNNCG-UHFFFAOYSA-N 1 0 351.498 3.226 20 10 FGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1 ZINC000236895334 497164687 /nfs/dbraw/zinc/16/46/87/497164687.db2.gz SEDVQRZJABKMRL-HXUWFJFHSA-N 1 0 351.494 3.182 20 10 FGCDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000274974704 497209109 /nfs/dbraw/zinc/20/91/09/497209109.db2.gz DTDIPDRLCONRBF-ZDUSSCGKSA-N 1 0 352.356 3.046 20 10 FGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cn1 ZINC000279120856 497340492 /nfs/dbraw/zinc/34/04/92/497340492.db2.gz QCUYUAWMVJAQSZ-JTQLQIEISA-N 1 0 364.243 3.359 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)c1c(F)cccc1F ZINC000271876004 497476860 /nfs/dbraw/zinc/47/68/60/497476860.db2.gz ZEUDYFKATNMYIQ-IFXJQAMLSA-N 1 0 367.392 3.289 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(C)cc1O ZINC000279964042 497603926 /nfs/dbraw/zinc/60/39/26/497603926.db2.gz CNHBILIBKPWPFI-IBGZPJMESA-N 1 0 356.466 3.409 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000277009149 497713321 /nfs/dbraw/zinc/71/33/21/497713321.db2.gz LAZVZLZBYDFTKY-UHFFFAOYSA-N 1 0 352.887 3.099 20 10 FGCDRO c1cnnc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000277012263 497714997 /nfs/dbraw/zinc/71/49/97/497714997.db2.gz LKPQIRZYRJFUAQ-UHFFFAOYSA-N 1 0 351.498 3.226 20 10 FGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280921922 497951644 /nfs/dbraw/zinc/95/16/44/497951644.db2.gz HKEXXPBYLOMJPG-OAHLLOKOSA-N 1 0 368.518 3.434 20 10 FGCDRO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(Br)cc1O ZINC000289652574 498232765 /nfs/dbraw/zinc/23/27/65/498232765.db2.gz GICMNLIPDUGPRT-NSHDSACASA-N 1 0 350.260 3.467 20 10 FGCDRO COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000286227359 498331188 /nfs/dbraw/zinc/33/11/88/498331188.db2.gz SRQZYOVJGSMHKE-AWEZNQCLSA-N 1 0 360.479 3.222 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297700367 498540257 /nfs/dbraw/zinc/54/02/57/498540257.db2.gz YBRASOZQIFHJAB-VCSGRIEYSA-N 1 0 370.541 3.444 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1 ZINC000287425231 498751035 /nfs/dbraw/zinc/75/10/35/498751035.db2.gz SMVOAXUCVKZPFC-CABCVRRESA-N 1 0 358.438 3.062 20 10 FGCDRO CCOc1cccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000283082592 498773867 /nfs/dbraw/zinc/77/38/67/498773867.db2.gz VSTQZZSJWCLRGN-KRWDZBQOSA-N 1 0 355.438 3.187 20 10 FGCDRO C[C@H](CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[NH+](C)C ZINC000298603538 498827056 /nfs/dbraw/zinc/82/70/56/498827056.db2.gz OZNIZDXETWDXDZ-DGIAWOHRSA-N 1 0 353.426 3.107 20 10 FGCDRO O=C(c1ccco1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000363457251 498830772 /nfs/dbraw/zinc/83/07/72/498830772.db2.gz RLTYGTREKRXHOO-UHFFFAOYSA-N 1 0 350.418 3.487 20 10 FGCDRO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000366277970 498854626 /nfs/dbraw/zinc/85/46/26/498854626.db2.gz DAJDKIZRFXXZKE-FQEVSTJZSA-N 1 0 354.498 3.346 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)n1-c1ccccn1 ZINC000366636314 499012569 /nfs/dbraw/zinc/01/25/69/499012569.db2.gz ZHAZNSRHKXUXLM-IEBWSBKVSA-N 1 0 352.482 3.093 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1 ZINC000372463634 499130340 /nfs/dbraw/zinc/13/03/40/499130340.db2.gz JGTZZGHGMHSPKS-UHFFFAOYSA-N 1 0 357.498 3.036 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1O ZINC000367226533 499164879 /nfs/dbraw/zinc/16/48/79/499164879.db2.gz MLAFPFSRYBEYOM-INIZCTEOSA-N 1 0 355.438 3.037 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323143 499181179 /nfs/dbraw/zinc/18/11/79/499181179.db2.gz ZNWYBBAAVXRTIO-CVEARBPZSA-N 1 0 356.470 3.161 20 10 FGCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3c[nH]c4nccnc34)CC2)cc1 ZINC000368110703 499265157 /nfs/dbraw/zinc/26/51/57/499265157.db2.gz UXPIPQQXNFBRRV-UHFFFAOYSA-N 1 0 373.407 3.270 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCC23CCOCC3)c1O ZINC000371390359 499319495 /nfs/dbraw/zinc/31/94/95/499319495.db2.gz WAGRZLYPIQFCFC-UHFFFAOYSA-N 1 0 356.260 3.308 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799044 499333780 /nfs/dbraw/zinc/33/37/80/499333780.db2.gz UMZYBYHUBKCAPX-JKSUJKDBSA-N 1 0 366.465 3.459 20 10 FGCDRO COc1ccc(O)c([C@@H](C)N[C@H](c2nnc(C)n2C)c2ccccc2)c1 ZINC000371876642 499374479 /nfs/dbraw/zinc/37/44/79/499374479.db2.gz OAEUITTYCXQZPT-YJYMSZOUSA-N 1 0 352.438 3.278 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CCO)c3ccccc3)CC2)cc1 ZINC000372045099 499392500 /nfs/dbraw/zinc/39/25/00/499392500.db2.gz AQGMKMYUAVJEDK-LJQANCHMSA-N 1 0 354.494 3.420 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)c3cn(C(C)C)cn3)CC2)cc1 ZINC000369744454 499440091 /nfs/dbraw/zinc/44/00/91/499440091.db2.gz FUWVGYRDKJUNSD-UHFFFAOYSA-N 1 0 356.470 3.214 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000372945730 499444169 /nfs/dbraw/zinc/44/41/69/499444169.db2.gz MJJYLKYUBGQIGQ-CYBMUJFWSA-N 1 0 355.862 3.072 20 10 FGCDRO COCc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000373609420 499479809 /nfs/dbraw/zinc/47/98/09/499479809.db2.gz NZXIYBUFECDJRM-LSDHHAIUSA-N 1 0 357.454 3.278 20 10 FGCDRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1O ZINC000378573203 499533063 /nfs/dbraw/zinc/53/30/63/499533063.db2.gz RAMUQPFRXAZIMP-VQIMIIECSA-N 1 0 368.477 3.389 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1[O-] ZINC000375852653 499562358 /nfs/dbraw/zinc/56/23/58/499562358.db2.gz ODUFGFLNCBEQMA-WBVHZDCISA-N 1 0 374.460 3.497 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)c1 ZINC000376042818 499578085 /nfs/dbraw/zinc/57/80/85/499578085.db2.gz FUGVIBPKTHHZJT-UHFFFAOYSA-N 1 0 353.369 3.491 20 10 FGCDRO COCC[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000412491899 499857964 /nfs/dbraw/zinc/85/79/64/499857964.db2.gz XETGHQUUOCKHOH-QGZVFWFLSA-N 1 0 371.525 3.197 20 10 FGCDRO CC[NH2+]Cc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000415912426 499927513 /nfs/dbraw/zinc/92/75/13/499927513.db2.gz GUBDNOJMPOQVKR-UHFFFAOYSA-N 1 0 354.454 3.293 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)ccc21 ZINC000421708243 500124773 /nfs/dbraw/zinc/12/47/73/500124773.db2.gz ZTWNSDVBAQZMQF-SFHVURJKSA-N 1 0 357.498 3.071 20 10 FGCDRO CCCCOCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444047569 500796302 /nfs/dbraw/zinc/79/63/02/500796302.db2.gz ULALVHXDGHCWHB-UHFFFAOYSA-N 1 0 371.525 3.341 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@@H](C)C2)C1 ZINC000436036064 501061274 /nfs/dbraw/zinc/06/12/74/501061274.db2.gz WZIJITFBBVNAQS-DLBZAZTESA-N 1 0 369.509 3.092 20 10 FGCDRO CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000529805538 503709931 /nfs/dbraw/zinc/70/99/31/503709931.db2.gz USCKLBQGWVQREQ-GOSISDBHSA-N 1 0 354.450 3.080 20 10 FGCDRO Cc1ocnc1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000517839537 503848088 /nfs/dbraw/zinc/84/80/88/503848088.db2.gz NCGMBBJZWUFXPQ-UHFFFAOYSA-N 1 0 366.465 3.021 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@]2(COC)COc3ccccc3C2)ccc1OC ZINC000527797574 503948761 /nfs/dbraw/zinc/94/87/61/503948761.db2.gz DTBPXGBVJWIJMP-QFIPXVFZSA-N 1 0 371.477 3.342 20 10 FGCDRO COCCC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000529638251 504749967 /nfs/dbraw/zinc/74/99/67/504749967.db2.gz NTCYKCQJKKRHPN-UHFFFAOYSA-N 1 0 358.276 3.412 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000565792892 504989043 /nfs/dbraw/zinc/98/90/43/504989043.db2.gz SRVUXHPRXKAYNM-DOTOQJQBSA-N 1 0 354.498 3.255 20 10 FGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824590212 609335875 /nfs/dbraw/zinc/33/58/75/609335875.db2.gz AIMNEOKCNRMJGX-SNVBAGLBSA-N 1 0 364.475 3.295 20 10 FGCDRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1F ZINC000114509026 700578404 /nfs/dbraw/zinc/57/84/04/700578404.db2.gz ZQQIAAZNLZLLEH-INIZCTEOSA-N 1 0 372.209 3.430 20 10 FGCDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000119057718 700619036 /nfs/dbraw/zinc/61/90/36/700619036.db2.gz JRHIKPJQDISNJA-DOTOQJQBSA-N 1 0 368.905 3.023 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)OCO2 ZINC000124237609 700716977 /nfs/dbraw/zinc/71/69/77/700716977.db2.gz AEXPKVCORWEDKD-CYBMUJFWSA-N 1 0 356.205 3.251 20 10 FGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000127413276 700761358 /nfs/dbraw/zinc/76/13/58/700761358.db2.gz UKGKLLJVQKANOU-QGZVFWFLSA-N 1 0 360.523 3.408 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)c1O ZINC000130375894 700800679 /nfs/dbraw/zinc/80/06/79/700800679.db2.gz JCAJMVMWBQJGFL-ZWNOBZJWSA-N 1 0 370.243 3.358 20 10 FGCDRO CC1=C(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000133825030 704806288 /nfs/dbraw/zinc/80/62/88/704806288.db2.gz SWOATGCUFPDOFE-INIZCTEOSA-N 1 0 364.873 3.211 20 10 FGCDRO CCc1nsc(N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)n1 ZINC000160318499 705249753 /nfs/dbraw/zinc/24/97/53/705249753.db2.gz BOZGBGJHYVEEQE-UHFFFAOYSA-N 1 0 358.511 3.007 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160364943 705251435 /nfs/dbraw/zinc/25/14/35/705251435.db2.gz FEHNFUMGBAUOTK-HNNXBMFYSA-N 1 0 350.459 3.150 20 10 FGCDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000160547647 705256017 /nfs/dbraw/zinc/25/60/17/705256017.db2.gz MFZPKBATQKAVCY-OAHLLOKOSA-N 1 0 361.511 3.365 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000164193505 705325922 /nfs/dbraw/zinc/32/59/22/705325922.db2.gz RGBGLUTZNJDAQI-UHFFFAOYSA-N 1 0 350.459 3.152 20 10 FGCDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164544389 705329800 /nfs/dbraw/zinc/32/98/00/705329800.db2.gz IYQGXAIHRJDXAG-INIZCTEOSA-N 1 0 351.487 3.326 20 10 FGCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000179202515 705692631 /nfs/dbraw/zinc/69/26/31/705692631.db2.gz JKEUAAWBGPMIFU-GFCCVEGCSA-N 1 0 364.287 3.276 20 10 FGCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472255 705703058 /nfs/dbraw/zinc/70/30/58/705703058.db2.gz VDTIFJNOJFTYJY-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1O ZINC000184854674 712677392 /nfs/dbraw/zinc/67/73/92/712677392.db2.gz GTSCJGKWGMAHLU-XJKSGUPXSA-N 1 0 350.459 3.317 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185455783 712694655 /nfs/dbraw/zinc/69/46/55/712694655.db2.gz DLNQNAUYWYHHQO-UONOGXRCSA-N 1 0 350.459 3.451 20 10 FGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186164740 712711016 /nfs/dbraw/zinc/71/10/16/712711016.db2.gz ZVBSVWCQVSGWAV-HIFRSBDPSA-N 1 0 351.443 3.434 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000802655077 724397905 /nfs/dbraw/zinc/39/79/05/724397905.db2.gz UDNGHBLYKITIDW-IBGZPJMESA-N 1 0 350.459 3.138 20 10 FGCDRO O=C1C[C@@H]([NH2+]Cc2ccccc2O)CN1c1cccc(C(F)(F)F)c1 ZINC000749925002 722748021 /nfs/dbraw/zinc/74/80/21/722748021.db2.gz ULVUWDQVNXQVAD-CQSZACIVSA-N 1 0 350.340 3.306 20 10 FGCDRO COC[C@H]1CCCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000768542661 723661011 /nfs/dbraw/zinc/66/10/11/723661011.db2.gz YQVGPAVHAQRHSY-LBPRGKRZSA-N 1 0 358.276 3.412 20 10 FGCDRO O=C(/C=C\c1ccc[nH]1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676459 724777946 /nfs/dbraw/zinc/77/79/46/724777946.db2.gz JTAOPYSVKVJWTH-QLBOMPFWSA-N 1 0 359.857 3.168 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000701889582 722410499 /nfs/dbraw/zinc/41/04/99/722410499.db2.gz FKWMTJYBABIVAQ-LLVKDONJSA-N 1 0 358.866 3.399 20 10 FGCDRO COc1ccc(C[NH+]2CCC(CNC(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000732278691 722483424 /nfs/dbraw/zinc/48/34/24/722483424.db2.gz SDIXYIPPQIYGTC-UHFFFAOYSA-N 1 0 360.479 3.104 20 10 FGCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000740854953 722538406 /nfs/dbraw/zinc/53/84/06/722538406.db2.gz KZTFCYPDVWDXHP-HNNXBMFYSA-N 1 0 351.512 3.479 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000742393552 722556827 /nfs/dbraw/zinc/55/68/27/722556827.db2.gz YLPOZXUGVGLNDF-OKZBNKHCSA-N 1 0 356.853 3.292 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1c(F)cccc1Cl ZINC000744448833 722577145 /nfs/dbraw/zinc/57/71/45/722577145.db2.gz YMAGZYILSUHCOP-VVVCHXIZSA-N 1 0 353.777 3.125 20 10 FGCDRO CCOc1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)c(O)c1 ZINC000746754081 722617064 /nfs/dbraw/zinc/61/70/64/722617064.db2.gz JZTCTEWSTVPBTE-UHFFFAOYSA-N 1 0 356.344 3.373 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000756383963 722963729 /nfs/dbraw/zinc/96/37/29/722963729.db2.gz MBNHMRTZQPFURJ-NSHDSACASA-N 1 0 354.859 3.268 20 10 FGCDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(Br)cc1O ZINC000756569491 722967001 /nfs/dbraw/zinc/96/70/01/722967001.db2.gz PIDVGEUEKQNJHQ-SECBINFHSA-N 1 0 355.198 3.299 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(Br)cc1O ZINC000756582960 722967171 /nfs/dbraw/zinc/96/71/71/722967171.db2.gz MBCMFEHNCLZQQL-OUCADQQQSA-N 1 0 369.303 3.452 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c1 ZINC000758528253 722991168 /nfs/dbraw/zinc/99/11/68/722991168.db2.gz OCAQPEVFMMMVIW-AWEZNQCLSA-N 1 0 364.283 3.404 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1O ZINC000758560493 722991755 /nfs/dbraw/zinc/99/17/55/722991755.db2.gz LUBXSDYQUMCCCX-CYBMUJFWSA-N 1 0 364.239 3.126 20 10 FGCDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000759571985 723009553 /nfs/dbraw/zinc/00/95/53/723009553.db2.gz YQTXHNOWGAXWNK-QLFBSQMISA-N 1 0 370.588 3.291 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000761191849 723131529 /nfs/dbraw/zinc/13/15/29/723131529.db2.gz XYGBPLMMKAOGHC-UHFFFAOYSA-N 1 0 354.878 3.038 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000792841568 723373302 /nfs/dbraw/zinc/37/33/02/723373302.db2.gz AYUHKJONLQULFA-HOTGVXAUSA-N 1 0 360.445 3.478 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000793349387 723427589 /nfs/dbraw/zinc/42/75/89/723427589.db2.gz SKDYRSHYIJOJKD-MRXNPFEDSA-N 1 0 354.372 3.474 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794807154 723546895 /nfs/dbraw/zinc/54/68/95/723546895.db2.gz KNQJGQMUJXXYHT-ACJLOTCBSA-N 1 0 351.393 3.459 20 10 FGCDRO C[C@@H](c1nccs1)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000767486477 723620879 /nfs/dbraw/zinc/62/08/79/723620879.db2.gz XNFQRNDLAWHOIY-AWEZNQCLSA-N 1 0 354.479 3.276 20 10 FGCDRO CCCC[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000768443054 723657733 /nfs/dbraw/zinc/65/77/33/723657733.db2.gz YDIPCVFPQPNEFT-GOSISDBHSA-N 1 0 351.512 3.060 20 10 FGCDRO O=S1(=O)CCC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768652177 723664325 /nfs/dbraw/zinc/66/43/25/723664325.db2.gz UMNXTJLZCITTLF-UHFFFAOYSA-N 1 0 359.491 3.364 20 10 FGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000768940136 723672712 /nfs/dbraw/zinc/67/27/12/723672712.db2.gz HLUOSBFZFHBFLB-GFCCVEGCSA-N 1 0 350.260 3.268 20 10 FGCDRO CCOC(=O)CC[N@@H+](Cc1cc(Br)ccc1O)CC1CC1 ZINC000769122614 723677549 /nfs/dbraw/zinc/67/75/49/723677549.db2.gz QNKJWMSWPIWCNX-UHFFFAOYSA-N 1 0 356.260 3.320 20 10 FGCDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773071303 723775974 /nfs/dbraw/zinc/77/59/74/723775974.db2.gz SSLJGEHUDDUXLP-OAHLLOKOSA-N 1 0 352.906 3.380 20 10 FGCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000773843058 723829472 /nfs/dbraw/zinc/82/94/72/723829472.db2.gz ZEDQXOPRXRCGHK-HNNXBMFYSA-N 1 0 361.511 3.365 20 10 FGCDRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000797581998 723837849 /nfs/dbraw/zinc/83/78/49/723837849.db2.gz HHQNGCUPYCTYAF-YVWKXTFCSA-N 1 0 364.555 3.226 20 10 FGCDRO COc1c(O)c(C[N@H+](C)CCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774823752 723933636 /nfs/dbraw/zinc/93/36/36/723933636.db2.gz UXXUPRRQYNAAJJ-UHFFFAOYSA-N 1 0 366.801 3.473 20 10 FGCDRO CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775491689 723995660 /nfs/dbraw/zinc/99/56/60/723995660.db2.gz HHFAAFYMNQKTTI-QGZVFWFLSA-N 1 0 367.921 3.077 20 10 FGCDRO CC[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(Br)ccc1O ZINC000775502905 723996745 /nfs/dbraw/zinc/99/67/45/723996745.db2.gz YIVBBEBMPVGSNJ-OAHLLOKOSA-N 1 0 371.319 3.306 20 10 FGCDRO CCc1nncn1CC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000775514297 723997492 /nfs/dbraw/zinc/99/74/92/723997492.db2.gz YKYFSWVWQWGBSX-CYBMUJFWSA-N 1 0 353.264 3.050 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cc(Cl)ccc1O ZINC000775521961 723998175 /nfs/dbraw/zinc/99/81/75/723998175.db2.gz GNGXJWGUFLYYFC-INIZCTEOSA-N 1 0 354.878 3.114 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)c1ccc(F)cn1 ZINC000799303554 724004137 /nfs/dbraw/zinc/00/41/37/724004137.db2.gz JUKOOMFANZMHRP-INIZCTEOSA-N 1 0 369.234 3.244 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@]1(C)CCCO1 ZINC000788548861 725072030 /nfs/dbraw/zinc/07/20/30/725072030.db2.gz ULKSVSAPVHMRDE-AXHMDWHKSA-N 1 0 350.478 3.487 20 10 FGCDRO CCn1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)c1=O ZINC000788607239 725075481 /nfs/dbraw/zinc/07/54/81/725075481.db2.gz JZJOXFVLEVZCIM-LLVKDONJSA-N 1 0 351.244 3.187 20 10 FGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)cc1O ZINC000808729581 725215104 /nfs/dbraw/zinc/21/51/04/725215104.db2.gz MHZLASGUOBPYLK-NCHVAJSOSA-N 1 0 364.239 3.300 20 10 FGCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000809691940 725259198 /nfs/dbraw/zinc/25/91/98/725259198.db2.gz UEJAYSINANFMHL-AWEZNQCLSA-N 1 0 356.850 3.155 20 10 FGCDRO COc1cc(Br)cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000809703098 725260555 /nfs/dbraw/zinc/26/05/55/725260555.db2.gz DDKHAUGKGAECHE-SWLSCSKDSA-N 1 0 369.303 3.222 20 10 FGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)c(Br)c1 ZINC000809753388 725265177 /nfs/dbraw/zinc/26/51/77/725265177.db2.gz HHTHIIVIBOTZOX-UHFFFAOYSA-N 1 0 368.202 3.370 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810223335 725297755 /nfs/dbraw/zinc/29/77/55/725297755.db2.gz LABHSZMVSXVERH-MFKMUULPSA-N 1 0 353.406 3.275 20 10 FGCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810237401 725298850 /nfs/dbraw/zinc/29/88/50/725298850.db2.gz HSRQITQBXDRXOB-ZDUSSCGKSA-N 1 0 365.417 3.419 20 10 FGCDRO CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810239878 725298988 /nfs/dbraw/zinc/29/89/88/725298988.db2.gz IXTVPBZMUMODBG-ZDUSSCGKSA-N 1 0 353.406 3.275 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810241374 725299015 /nfs/dbraw/zinc/29/90/15/725299015.db2.gz SDWZHKNZWGJSIG-ZWNOBZJWSA-N 1 0 365.417 3.417 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1O ZINC000815148313 727045771 /nfs/dbraw/zinc/04/57/71/727045771.db2.gz RNOMAOZEXXHKSG-INIZCTEOSA-N 1 0 358.276 3.194 20 10 FGCDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000815560788 727083930 /nfs/dbraw/zinc/08/39/30/727083930.db2.gz QELNDCRBLAXVDK-MRXNPFEDSA-N 1 0 358.404 3.199 20 10 FGCDRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816535126 727172762 /nfs/dbraw/zinc/17/27/62/727172762.db2.gz GTYBLWRBTONRHH-UHFFFAOYSA-N 1 0 356.447 3.207 20 10 FGCDRO C[C@@H]([NH2+]CCCSc1nccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816553076 727174722 /nfs/dbraw/zinc/17/47/22/727174722.db2.gz HZRGZGQHKIMXOI-GFCCVEGCSA-N 1 0 357.545 3.470 20 10 FGCDRO CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000816569492 727176857 /nfs/dbraw/zinc/17/68/57/727176857.db2.gz NLRRLXRTBJDTLA-UHFFFAOYSA-N 1 0 369.912 3.034 20 10 FGCDRO Oc1cc(F)c(Cl)cc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000816616718 727181276 /nfs/dbraw/zinc/18/12/76/727181276.db2.gz DEQPWYKYETZPFH-OAHLLOKOSA-N 1 0 350.821 3.363 20 10 FGCDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1=O ZINC000817589869 727268983 /nfs/dbraw/zinc/26/89/83/727268983.db2.gz QORODCSUUQZFMD-STQMWFEESA-N 1 0 369.303 3.372 20 10 FGCDRO CS(=O)(=O)CCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000818350557 727308752 /nfs/dbraw/zinc/30/87/52/727308752.db2.gz LKTSAAVGYGELMU-IBGZPJMESA-N 1 0 361.507 3.481 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1F ZINC000818985201 727334338 /nfs/dbraw/zinc/33/43/38/727334338.db2.gz OELRJMRRHIWYPU-HNNXBMFYSA-N 1 0 352.837 3.075 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@@H]1SC ZINC000822494714 729181773 /nfs/dbraw/zinc/18/17/73/729181773.db2.gz UUYQENYIKSAUKY-FZDIXFNVSA-N 1 0 350.528 3.020 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000823851627 729309071 /nfs/dbraw/zinc/30/90/71/729309071.db2.gz SKQHRRJBNLXWPU-INIZCTEOSA-N 1 0 360.523 3.358 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CN(C)CCO1 ZINC000824011924 729315812 /nfs/dbraw/zinc/31/58/12/729315812.db2.gz HOPPKWNTFJZTMP-OXQOHEQNSA-N 1 0 359.539 3.193 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000824636934 729352086 /nfs/dbraw/zinc/35/20/86/729352086.db2.gz VEJYBJXYJWFFDC-XJKSGUPXSA-N 1 0 357.401 3.079 20 10 FGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650384 729353032 /nfs/dbraw/zinc/35/30/32/729353032.db2.gz ONSNOZLHECVHJB-CQSZACIVSA-N 1 0 369.303 3.283 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000824862061 729362887 /nfs/dbraw/zinc/36/28/87/729362887.db2.gz UWAKLCDBNAKQBD-INIZCTEOSA-N 1 0 357.328 3.123 20 10 FGCDRO Cc1ccc([C@H](C[NH2+]Cc2cc(Cl)c(C)cc2O)N2CCOCC2)o1 ZINC000825072156 729369801 /nfs/dbraw/zinc/36/98/01/729369801.db2.gz XSYYZJGECNVEPR-KRWDZBQOSA-N 1 0 364.873 3.419 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccc(F)c(Br)c1 ZINC000825133314 729372235 /nfs/dbraw/zinc/37/22/35/729372235.db2.gz DAIGBNHPSNLAGR-CYBMUJFWSA-N 1 0 368.246 3.235 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825197106 729374289 /nfs/dbraw/zinc/37/42/89/729374289.db2.gz GIMIQJZPXITACO-LBPRGKRZSA-N 1 0 368.886 3.113 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](O)Cc1ccccc1 ZINC000825371297 729380826 /nfs/dbraw/zinc/38/08/26/729380826.db2.gz VSLHAXBRMIFLCD-WBMJQRKESA-N 1 0 350.256 3.236 20 10 FGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825548013 729387368 /nfs/dbraw/zinc/38/73/68/729387368.db2.gz AMHPXJAPLYZPQM-YPMHNXCESA-N 1 0 371.275 3.111 20 10 FGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000827733702 729433947 /nfs/dbraw/zinc/43/39/47/729433947.db2.gz LZGYHVSUMFOHER-SJCJKPOMSA-N 1 0 350.256 3.409 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c2c1c(F)ccc2O ZINC000834828367 729837506 /nfs/dbraw/zinc/83/75/06/729837506.db2.gz SILHSHKJPXYLRV-LALPHHSUSA-N 1 0 361.438 3.240 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1(C)C ZINC000840759848 730170437 /nfs/dbraw/zinc/17/04/37/730170437.db2.gz OKZAOXOCWTYIEA-DLBZAZTESA-N 1 0 354.441 3.095 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000840963245 730198429 /nfs/dbraw/zinc/19/84/29/730198429.db2.gz MMCNJMBMYQNDMP-XLIONFOSSA-N 1 0 360.523 3.262 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000840977164 730200271 /nfs/dbraw/zinc/20/02/71/730200271.db2.gz TVKBOEOLBQUBHH-INIZCTEOSA-N 1 0 360.523 3.185 20 10 FGCDRO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1c1cccc(F)c1 ZINC000841104439 730211734 /nfs/dbraw/zinc/21/17/34/730211734.db2.gz QQTQRWSVDWELDO-JKSUJKDBSA-N 1 0 365.246 3.221 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cc4cccnc4o3)SC2=S)CC1 ZINC000841495882 730249196 /nfs/dbraw/zinc/24/91/96/730249196.db2.gz JZVJSKCHRDZGGS-UVTDQMKNSA-N 1 0 359.476 3.123 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)cc1O ZINC000841753669 730271096 /nfs/dbraw/zinc/27/10/96/730271096.db2.gz MZAISEXLOGLINT-SUMWQHHRSA-N 1 0 359.857 3.282 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000841858367 730281356 /nfs/dbraw/zinc/28/13/56/730281356.db2.gz XCLMOMPZLYOFTH-HUUCEWRRSA-N 1 0 368.572 3.189 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC([NH3+])CC3)cc2Cl)C1 ZINC000841895430 730283886 /nfs/dbraw/zinc/28/38/86/730283886.db2.gz CEMYWTFADMUBCK-AWEZNQCLSA-N 1 0 364.921 3.209 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H]([NH3+])C3CC3)cc2Cl)C1 ZINC000841896885 730283990 /nfs/dbraw/zinc/28/39/90/730283990.db2.gz OKTOMFFDUCJGRV-DYVFJYSZSA-N 1 0 364.921 3.113 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCC[NH2+]C3)cc2Cl)C1 ZINC000841897809 730284286 /nfs/dbraw/zinc/28/42/86/730284286.db2.gz XKBKAGAVMADTFE-HOCLYGCPSA-N 1 0 364.921 3.128 20 10 FGCDRO Cc1cc(Br)cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843045461 730573483 /nfs/dbraw/zinc/57/34/83/730573483.db2.gz RXZREAYQDXRRHC-CZUORRHYSA-N 1 0 353.304 3.427 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2c2ccccc2OC)c1O ZINC000843112091 730587047 /nfs/dbraw/zinc/58/70/47/730587047.db2.gz DEXNOWCQFSCFOW-MRXNPFEDSA-N 1 0 362.857 3.209 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843386162 730612681 /nfs/dbraw/zinc/61/26/81/730612681.db2.gz IOBBJJSMGKCATR-GJZGRUSLSA-N 1 0 350.890 3.460 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000844857600 730780871 /nfs/dbraw/zinc/78/08/71/730780871.db2.gz BQIRNNWHXGYQKG-MRXNPFEDSA-N 1 0 365.836 3.287 20 10 FGCDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000844933983 730791428 /nfs/dbraw/zinc/79/14/28/730791428.db2.gz KSKCEWDZALSTGK-UHFFFAOYSA-N 1 0 361.873 3.497 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000845973388 730913738 /nfs/dbraw/zinc/91/37/38/730913738.db2.gz ZRCOVUPOGWIPGM-CYBMUJFWSA-N 1 0 350.459 3.356 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)c1O ZINC000848524843 731175223 /nfs/dbraw/zinc/17/52/23/731175223.db2.gz IIKARXXKHCQYFQ-SECBINFHSA-N 1 0 368.275 3.364 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc(Cl)n3C)cc2F)C[C@H](C)O1 ZINC000848530008 731176351 /nfs/dbraw/zinc/17/63/51/731176351.db2.gz BBKRDTQRFIOOJQ-BETUJISGSA-N 1 0 366.868 3.116 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)c1O ZINC000848533656 731176711 /nfs/dbraw/zinc/17/67/11/731176711.db2.gz TUQUJTYKZNFQDP-MDZLAQPJSA-N 1 0 374.275 3.008 20 10 FGCDRO CCc1cccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000848895633 731218246 /nfs/dbraw/zinc/21/82/46/731218246.db2.gz UUHKJEOUNXBZMY-CQSZACIVSA-N 1 0 362.495 3.056 20 10 FGCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850250825 731335158 /nfs/dbraw/zinc/33/51/58/731335158.db2.gz ZDYLSUPTJWPOKM-CQSZACIVSA-N 1 0 350.459 3.019 20 10 FGCDRO CC1(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCCCC1 ZINC000850356812 731347740 /nfs/dbraw/zinc/34/77/40/731347740.db2.gz XRYTUMLBOSOBEQ-UHFFFAOYSA-N 1 0 364.555 3.372 20 10 FGCDRO O=S(=O)(CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)CC(F)(F)F ZINC000850364020 731348615 /nfs/dbraw/zinc/34/86/15/731348615.db2.gz OPGJQGONAKTIOX-UHFFFAOYSA-N 1 0 373.396 3.126 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1O ZINC000850372812 731349491 /nfs/dbraw/zinc/34/94/91/731349491.db2.gz ZIDMGUNHOVZFSB-CABCVRRESA-N 1 0 364.239 3.431 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+]CC2SCCS2)ccc1N1CCCCC1 ZINC000850401245 731352744 /nfs/dbraw/zinc/35/27/44/731352744.db2.gz XAEFUQDYFSEZIN-UHFFFAOYSA-N 1 0 353.513 3.481 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C(C)(C)C(F)F)CC2)cc1 ZINC000850428663 731356264 /nfs/dbraw/zinc/35/62/64/731356264.db2.gz JQNOYBWPSMPYIP-OAHLLOKOSA-N 1 0 355.473 3.087 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cc(Br)ccc1O ZINC000850499315 731364899 /nfs/dbraw/zinc/36/48/99/731364899.db2.gz MYINKENYELGILF-XDTLVQLUSA-N 1 0 351.248 3.493 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000850547176 731371529 /nfs/dbraw/zinc/37/15/29/731371529.db2.gz RSODGQXXBPYXDS-HERUPUMHSA-N 1 0 356.260 3.117 20 10 FGCDRO O=C(NCCCSc1nccs1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000853855994 731763571 /nfs/dbraw/zinc/76/35/71/731763571.db2.gz NHYCVPJVMDOLIM-CQSZACIVSA-N 1 0 368.572 3.332 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)ncc2Br)c1 ZINC000856734199 732049322 /nfs/dbraw/zinc/04/93/22/732049322.db2.gz PICVVEGXWAJHMP-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO Cn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(Cl)n1 ZINC000856771068 732057773 /nfs/dbraw/zinc/05/77/73/732057773.db2.gz XYMRCWVWYZITCO-HNNXBMFYSA-N 1 0 369.296 3.187 20 10 FGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)N1CCCC[C@@H]1C ZINC000858121804 732182855 /nfs/dbraw/zinc/18/28/55/732182855.db2.gz AHGYNIMFEKAMTE-RYUDHWBXSA-N 1 0 355.276 3.034 20 10 FGCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1c(O)cccc1Br ZINC000858210244 732192932 /nfs/dbraw/zinc/19/29/32/732192932.db2.gz JZUHJOICLGZUOJ-UHFFFAOYSA-N 1 0 364.165 3.197 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCCCO1 ZINC000858354165 732206574 /nfs/dbraw/zinc/20/65/74/732206574.db2.gz LNOGWCNXDDYSEW-ASKKUZCQSA-N 1 0 350.478 3.487 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000858526471 732223832 /nfs/dbraw/zinc/22/38/32/732223832.db2.gz CGLUIBJSFRKWMU-TZMCWYRMSA-N 1 0 370.877 3.332 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)c1O ZINC000858548308 732226216 /nfs/dbraw/zinc/22/62/16/732226216.db2.gz ULMGLCKAZCSPDJ-BHYNMZESSA-N 1 0 356.260 3.381 20 10 FGCDRO Oc1cccc(Br)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000862248005 732797745 /nfs/dbraw/zinc/79/77/45/732797745.db2.gz GLBAQHZEBBYVTP-CQSZACIVSA-N 1 0 353.304 3.463 20 10 FGCDRO C[N@H+](Cc1c(O)cccc1Br)C[C@@](C)(O)c1ccccc1 ZINC000862397189 732824436 /nfs/dbraw/zinc/82/44/36/732824436.db2.gz CRSOTIMJFMJZDK-QGZVFWFLSA-N 1 0 350.256 3.494 20 10 FGCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000862489081 732841312 /nfs/dbraw/zinc/84/13/12/732841312.db2.gz YYVPBRZVZJPIKB-AWEZNQCLSA-N 1 0 354.244 3.205 20 10 FGCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCSCC3)cc1)CCCC2 ZINC000865417286 733194955 /nfs/dbraw/zinc/19/49/55/733194955.db2.gz FSVPHVFAOKSOEX-UHFFFAOYSA-N 1 0 356.539 3.142 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000865783875 733269123 /nfs/dbraw/zinc/26/91/23/733269123.db2.gz TVWDZCJEBCVXLA-CQSZACIVSA-N 1 0 363.479 3.088 20 10 FGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000865783367 733269413 /nfs/dbraw/zinc/26/94/13/733269413.db2.gz PEPZMZIHMZZENX-GFCCVEGCSA-N 1 0 353.871 3.342 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c2c1c(F)ccc2O ZINC000872118664 735591474 /nfs/dbraw/zinc/59/14/74/735591474.db2.gz FGXQZCBZQYBPSZ-JXODSGKVSA-N 1 0 353.459 3.025 20 10 FGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877559578 736683988 /nfs/dbraw/zinc/68/39/88/736683988.db2.gz OWDWNEPDDFHVHY-OAHLLOKOSA-N 1 0 360.420 3.095 20 10 FGCDRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000877613152 736692844 /nfs/dbraw/zinc/69/28/44/736692844.db2.gz YDBLHUKVUSUTTM-UHFFFAOYSA-N 1 0 351.834 3.024 20 10 FGCDRO CC[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000883309469 737552523 /nfs/dbraw/zinc/55/25/23/737552523.db2.gz NIGMLJLOTWMWND-TZMCWYRMSA-N 1 0 365.417 3.419 20 10 FGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000885940650 739201749 /nfs/dbraw/zinc/20/17/49/739201749.db2.gz OJJJFVWKRKPCCK-SJLPKXTDSA-N 1 0 350.478 3.224 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(O)ccc2Cl)[NH+](C)C)cc1 ZINC000891249021 739886444 /nfs/dbraw/zinc/88/64/44/739886444.db2.gz OXYRJQDVADBTBC-SFHVURJKSA-N 1 0 361.873 3.144 20 10 FGCDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000892204333 739975268 /nfs/dbraw/zinc/97/52/68/739975268.db2.gz KJBAMJFGICXMME-SHZVTRLKSA-N 1 0 363.479 3.340 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](O)c2cc3ccccc3s2)c(O)c1OC ZINC000893140952 742116416 /nfs/dbraw/zinc/11/64/16/742116416.db2.gz HIOXAFYDGOZQEV-AWEZNQCLSA-N 1 0 359.447 3.447 20 10 FGCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894695142 742319289 /nfs/dbraw/zinc/31/92/89/742319289.db2.gz GQSUPTMLNJFQLJ-AWEZNQCLSA-N 1 0 363.479 3.354 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c(O)c1OC ZINC000894787670 742335142 /nfs/dbraw/zinc/33/51/42/742335142.db2.gz ILIHDMGVDFBTGY-SFHVURJKSA-N 1 0 363.479 3.464 20 10 FGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000897576368 742691335 /nfs/dbraw/zinc/69/13/35/742691335.db2.gz DAFHAIJBJIKBMJ-LBPRGKRZSA-N 1 0 366.259 3.301 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c(Cl)c1 ZINC000898282921 742768831 /nfs/dbraw/zinc/76/88/31/742768831.db2.gz ONASCQTZCGVQMP-UHFFFAOYSA-N 1 0 368.886 3.040 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1O ZINC000898720600 742825237 /nfs/dbraw/zinc/82/52/37/742825237.db2.gz MDPNVZNBOPQKEJ-YPMHNXCESA-N 1 0 350.260 3.407 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898724555 742826907 /nfs/dbraw/zinc/82/69/07/742826907.db2.gz NNFIWPIROUJMJV-SECBINFHSA-N 1 0 356.651 3.109 20 10 FGCDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000899019095 742857054 /nfs/dbraw/zinc/85/70/54/742857054.db2.gz FIORIIUZPVQLPD-ZDUSSCGKSA-N 1 0 360.479 3.164 20 10 FGCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000903064498 743801334 /nfs/dbraw/zinc/80/13/34/743801334.db2.gz MWGSYAGLBHCQJO-YGRLFVJLSA-N 1 0 353.264 3.331 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1F ZINC000922419979 758920787 /nfs/dbraw/zinc/92/07/87/758920787.db2.gz XVFWYAFXNGKQLQ-UHFFFAOYSA-N 1 0 370.534 3.365 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000926909600 759843877 /nfs/dbraw/zinc/84/38/77/759843877.db2.gz YSBINYWDCSYRMO-DOMZBBRYSA-N 1 0 363.454 3.315 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000779022177 724381663 /nfs/dbraw/zinc/38/16/63/724381663.db2.gz NTPRKADMJSCADK-CYBMUJFWSA-N 1 0 371.319 3.225 20 10 FGCDRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000072829945 494259061 /nfs/dbraw/zinc/25/90/61/494259061.db2.gz FTBOHIFIASMJLK-UHFFFAOYSA-N 1 0 366.509 3.331 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000091949582 494730298 /nfs/dbraw/zinc/73/02/98/494730298.db2.gz SSLKGKCVSPTSPA-MRXNPFEDSA-N 1 0 360.498 3.261 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000092149304 494800002 /nfs/dbraw/zinc/80/00/02/494800002.db2.gz ROYVDSBIQBCYJH-UHFFFAOYSA-N 1 0 360.479 3.201 20 10 FGCDRO COc1cccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c1O ZINC000093815594 494924323 /nfs/dbraw/zinc/92/43/23/494924323.db2.gz VDLKGNKPIZCPEX-OAHLLOKOSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000102432829 495136319 /nfs/dbraw/zinc/13/63/19/495136319.db2.gz NGPZBTJCVAYLDW-UHFFFAOYSA-N 1 0 356.466 3.471 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124806878 495346608 /nfs/dbraw/zinc/34/66/08/495346608.db2.gz AKVAKVJXCWDEHL-VLIAUNLRSA-N 1 0 362.420 3.186 20 10 FGCDRO COCCOc1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000107317026 495525179 /nfs/dbraw/zinc/52/51/79/495525179.db2.gz ZSMWQSXGKROQSA-UHFFFAOYSA-N 1 0 370.493 3.479 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000185472933 495590298 /nfs/dbraw/zinc/59/02/98/495590298.db2.gz AUVPTIZINMCYNY-FTRWYGJKSA-N 1 0 355.482 3.357 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154596474 495666527 /nfs/dbraw/zinc/66/65/27/495666527.db2.gz MGITVXLSIGCASM-ACJLOTCBSA-N 1 0 350.459 3.108 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)c(O)c1 ZINC000185833885 495743249 /nfs/dbraw/zinc/74/32/49/495743249.db2.gz YRGSQKPTBGYWMZ-UHFFFAOYSA-N 1 0 355.438 3.366 20 10 FGCDRO Cc1cccc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000179867306 495764082 /nfs/dbraw/zinc/76/40/82/495764082.db2.gz KXXHCMVYJNNLSJ-UHFFFAOYSA-N 1 0 363.479 3.005 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882761 495769923 /nfs/dbraw/zinc/76/99/23/495769923.db2.gz RQQQHKOORUQETB-GFCCVEGCSA-N 1 0 368.886 3.194 20 10 FGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1 ZINC000151529460 495869285 /nfs/dbraw/zinc/86/92/85/495869285.db2.gz DHYUGHOPYKHCOP-ZDUSSCGKSA-N 1 0 358.461 3.044 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3cn4c(cccc4C)n3)CC2)cc1 ZINC000160316027 495933933 /nfs/dbraw/zinc/93/39/33/495933933.db2.gz LIANCWTVJYLZCH-UHFFFAOYSA-N 1 0 350.466 3.410 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1O ZINC000183386248 495958608 /nfs/dbraw/zinc/95/86/08/495958608.db2.gz OIBBIYAXQLHRAD-INIZCTEOSA-N 1 0 374.506 3.418 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000180678056 496100648 /nfs/dbraw/zinc/10/06/48/496100648.db2.gz YLHFNFQYLISCGW-YMXBGEKHSA-N 1 0 363.479 3.340 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161578563 496201058 /nfs/dbraw/zinc/20/10/58/496201058.db2.gz YGZLSFSIVRXMRZ-APWZRJJASA-N 1 0 358.457 3.089 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000184676559 496488623 /nfs/dbraw/zinc/48/86/23/496488623.db2.gz DTWFZIOZAZVVIR-UHFFFAOYSA-N 1 0 374.868 3.449 20 10 FGCDRO COc1cccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c1O ZINC000175928608 496605569 /nfs/dbraw/zinc/60/55/69/496605569.db2.gz XHZVRMHIRHJKIZ-UHFFFAOYSA-N 1 0 354.406 3.139 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185072145 496646606 /nfs/dbraw/zinc/64/66/06/496646606.db2.gz ZBSWHWZFHYDHLJ-CQSZACIVSA-N 1 0 360.429 3.227 20 10 FGCDRO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1cc(F)ccc1O ZINC000185083158 496651403 /nfs/dbraw/zinc/65/14/03/496651403.db2.gz SBTVZTCSERZHPI-CQSZACIVSA-N 1 0 372.440 3.082 20 10 FGCDRO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000185086968 496654482 /nfs/dbraw/zinc/65/44/82/496654482.db2.gz HJVDJUOQOSLVRQ-AWEZNQCLSA-N 1 0 351.443 3.187 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)c(O)c1 ZINC000185197854 496701041 /nfs/dbraw/zinc/70/10/41/496701041.db2.gz GWDLIMGHSFIGJD-GOSISDBHSA-N 1 0 370.493 3.262 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000185260524 496719660 /nfs/dbraw/zinc/71/96/60/496719660.db2.gz DRFFXHWSAKMJIT-OXQOHEQNSA-N 1 0 368.477 3.285 20 10 FGCDRO C[NH+](C)Cc1ccsc1C(=O)NCc1cccc(Br)c1O ZINC000277458196 496780291 /nfs/dbraw/zinc/78/02/91/496780291.db2.gz GUHZLHRXMMFDDZ-UHFFFAOYSA-N 1 0 369.284 3.208 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273380868 496788569 /nfs/dbraw/zinc/78/85/69/496788569.db2.gz IFYJWHXLECKAQN-SNVBAGLBSA-N 1 0 366.343 3.313 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000277519423 496800700 /nfs/dbraw/zinc/80/07/00/496800700.db2.gz PDHOUPNHBZWBAB-CZUORRHYSA-N 1 0 350.459 3.136 20 10 FGCDRO CCOCc1cc(C[NH2+]CCOCC(F)(F)C(F)F)ccc1OC ZINC000277537340 496805093 /nfs/dbraw/zinc/80/50/93/496805093.db2.gz WBIKKKMEIWNJQZ-UHFFFAOYSA-N 1 0 353.356 3.238 20 10 FGCDRO COc1ccc(O)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000273517946 496827964 /nfs/dbraw/zinc/82/79/64/496827964.db2.gz SXFNRAPCAHOBGT-HNNXBMFYSA-N 1 0 370.497 3.499 20 10 FGCDRO CCOc1ccc(O)c(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000269148922 496882103 /nfs/dbraw/zinc/88/21/03/496882103.db2.gz PDSGCHQIHWMKRY-UHFFFAOYSA-N 1 0 370.497 3.328 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C(F)F)s3)cc2F)CC1 ZINC000269407909 496939884 /nfs/dbraw/zinc/93/98/84/496939884.db2.gz YQEQFYWZYIKJJJ-UHFFFAOYSA-N 1 0 371.432 3.369 20 10 FGCDRO O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1CC(F)(F)F ZINC000264793317 496985873 /nfs/dbraw/zinc/98/58/73/496985873.db2.gz BBRSNNGCZMTZBP-MRXNPFEDSA-N 1 0 364.367 3.312 20 10 FGCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H](O)C(F)(F)F ZINC000274045240 497001206 /nfs/dbraw/zinc/00/12/06/497001206.db2.gz MDXCKVSWVGZSLJ-KRWDZBQOSA-N 1 0 360.420 3.047 20 10 FGCDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000269918918 497023444 /nfs/dbraw/zinc/02/34/44/497023444.db2.gz KELJIHISZXUKQO-RBBKRZOGSA-N 1 0 354.494 3.251 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000237259618 497210844 /nfs/dbraw/zinc/21/08/44/497210844.db2.gz CEJZROHFHRSFNU-UHFFFAOYSA-N 1 0 371.447 3.280 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000275107587 497237656 /nfs/dbraw/zinc/23/76/56/497237656.db2.gz BLHVQHWUNSXPEV-UHFFFAOYSA-N 1 0 363.845 3.278 20 10 FGCDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000192953891 497257631 /nfs/dbraw/zinc/25/76/31/497257631.db2.gz QUOAVKGRNOAZCL-CQSZACIVSA-N 1 0 362.495 3.010 20 10 FGCDRO Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266148425 497266885 /nfs/dbraw/zinc/26/68/85/497266885.db2.gz JJUIKZOMIAVGGI-CQSZACIVSA-N 1 0 350.413 3.387 20 10 FGCDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000275707958 497409009 /nfs/dbraw/zinc/40/90/09/497409009.db2.gz UBLMRHVQFKQMIH-KNQAVFIVSA-N 1 0 373.541 3.072 20 10 FGCDRO CCCn1ncnc1CN(CC)Cc1cc(Br)ccc1O ZINC000279399899 497428153 /nfs/dbraw/zinc/42/81/53/497428153.db2.gz IMIPHLGQZDDHFB-UHFFFAOYSA-N 1 0 353.264 3.178 20 10 FGCDRO COC1(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOCC1 ZINC000276943948 497694592 /nfs/dbraw/zinc/69/45/92/497694592.db2.gz AVFKTCPTMWCMEY-HNNXBMFYSA-N 1 0 370.440 3.042 20 10 FGCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCN1CCC(O)CC1 ZINC000295864347 497833706 /nfs/dbraw/zinc/83/37/06/497833706.db2.gz FSBOIMFRWAUDDN-NRFANRHFSA-N 1 0 354.494 3.112 20 10 FGCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000364416339 497945231 /nfs/dbraw/zinc/94/52/31/497945231.db2.gz LMWKBXAHAYBRFD-TXPKVOOTSA-N 1 0 360.498 3.191 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccc(C)cc3O)CC2)c1 ZINC000296329446 498001025 /nfs/dbraw/zinc/00/10/25/498001025.db2.gz HEYWTADGLVPFJD-OAHLLOKOSA-N 1 0 357.454 3.472 20 10 FGCDRO Cc1nc2c(c(NCc3ccc(N4CCC(CO)CC4)cc3)n1)CCCC2 ZINC000301554990 498161111 /nfs/dbraw/zinc/16/11/11/498161111.db2.gz IETZBGNGJDEYMJ-UHFFFAOYSA-N 1 0 366.509 3.485 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000289597406 498210874 /nfs/dbraw/zinc/21/08/74/498210874.db2.gz ABPJOFDLXXVTEA-JOCHJYFZSA-N 1 0 369.509 3.120 20 10 FGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1O ZINC000289651188 498231233 /nfs/dbraw/zinc/23/12/33/498231233.db2.gz IFDZLTVEZFPXSS-MRXNPFEDSA-N 1 0 370.493 3.460 20 10 FGCDRO COCC[N@H+](Cc1ccccn1)Cc1cc(Br)ccc1O ZINC000289773474 498287546 /nfs/dbraw/zinc/28/75/46/498287546.db2.gz KROKEYQDPKKTCU-UHFFFAOYSA-N 1 0 351.244 3.198 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1O ZINC000360717042 498301476 /nfs/dbraw/zinc/30/14/76/498301476.db2.gz VXSMUGZBOUEALE-BBRMVZONSA-N 1 0 352.413 3.455 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc(Br)ccc1O ZINC000283173960 498806625 /nfs/dbraw/zinc/80/66/25/498806625.db2.gz JJPRDNPGPKXEFZ-QMTHXVAHSA-N 1 0 353.260 3.007 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCCCC2)cc1 ZINC000363785658 498992440 /nfs/dbraw/zinc/99/24/40/498992440.db2.gz PCGIRBWOPGBCKC-MJGOQNOKSA-N 1 0 353.514 3.340 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c(O)c1C ZINC000363860715 499028133 /nfs/dbraw/zinc/02/81/33/499028133.db2.gz GUGBZXYZXIXYIH-KLAILNCOSA-N 1 0 366.527 3.006 20 10 FGCDRO FC(F)(F)Oc1ccc(N2CC[C@@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000364127196 499120495 /nfs/dbraw/zinc/12/04/95/499120495.db2.gz CKWSJXTUSPGJNJ-HNNXBMFYSA-N 1 0 358.404 3.428 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c(O)c1 ZINC000369901969 499148411 /nfs/dbraw/zinc/14/84/11/499148411.db2.gz JDCZEOPBWOSEJS-VXGBXAGGSA-N 1 0 354.376 3.268 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000372597137 499151390 /nfs/dbraw/zinc/15/13/90/499151390.db2.gz XGAJVIUFCCDRBM-KSSFIOAISA-N 1 0 358.482 3.185 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1O ZINC000367226534 499165015 /nfs/dbraw/zinc/16/50/15/499165015.db2.gz MLAFPFSRYBEYOM-MRXNPFEDSA-N 1 0 355.438 3.037 20 10 FGCDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)[C@@H](C)c3cc(OC)ccc3O)C2)no1 ZINC000368030324 499257289 /nfs/dbraw/zinc/25/72/89/499257289.db2.gz MYBOKLKAWSBSDR-LSDHHAIUSA-N 1 0 374.485 3.004 20 10 FGCDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000368136428 499268151 /nfs/dbraw/zinc/26/81/51/499268151.db2.gz VCFOKRQQYNSOPN-INIZCTEOSA-N 1 0 358.276 3.148 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371559400 499341962 /nfs/dbraw/zinc/34/19/62/499341962.db2.gz HSOBRNAETSFONX-LJQANCHMSA-N 1 0 372.509 3.406 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1F ZINC000369134952 499369306 /nfs/dbraw/zinc/36/93/06/499369306.db2.gz RECGKBRPDFJRMJ-LJQANCHMSA-N 1 0 360.477 3.341 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1 ZINC000371870962 499373843 /nfs/dbraw/zinc/37/38/43/499373843.db2.gz VYKSGGXJWOUPEA-ZDUSSCGKSA-N 1 0 358.438 3.258 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1O ZINC000369661169 499433134 /nfs/dbraw/zinc/43/31/34/499433134.db2.gz AHFMCJSTCWKYEP-UHFFFAOYSA-N 1 0 359.441 3.500 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c(O)c1C ZINC000373255277 499459996 /nfs/dbraw/zinc/45/99/96/499459996.db2.gz JJUKTTCZETVKIQ-HZPDHXFCSA-N 1 0 353.466 3.037 20 10 FGCDRO COCc1nccc([C@H]2CCC[N@@H+]([C@@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000373609417 499479804 /nfs/dbraw/zinc/47/98/04/499479804.db2.gz NZXIYBUFECDJRM-GJZGRUSLSA-N 1 0 357.454 3.278 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ncccc3C)CC2)c1O ZINC000378335379 499502985 /nfs/dbraw/zinc/50/29/85/499502985.db2.gz OMALUUMQVCGGNM-UHFFFAOYSA-N 1 0 369.465 3.345 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1O ZINC000375439898 499519191 /nfs/dbraw/zinc/51/91/91/499519191.db2.gz UMEKWWKQJPZDGP-GFCCVEGCSA-N 1 0 361.829 3.498 20 10 FGCDRO Cc1cccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1O ZINC000377232629 499672333 /nfs/dbraw/zinc/67/23/33/499672333.db2.gz PCNUEILMRGEDFY-QGZVFWFLSA-N 1 0 352.413 3.203 20 10 FGCDRO COc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC000377619229 499711020 /nfs/dbraw/zinc/71/10/20/499711020.db2.gz CHLLMLUWVOFADB-UHFFFAOYSA-N 1 0 374.868 3.449 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc[nH]2)C1 ZINC000444296547 500831509 /nfs/dbraw/zinc/83/15/09/500831509.db2.gz YXHRWFCQYJJXCI-UHFFFAOYSA-N 1 0 350.466 3.052 20 10 FGCDRO CC[C@H]1COCCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435863174 501038565 /nfs/dbraw/zinc/03/85/65/501038565.db2.gz UPJPMVNTTGFYGB-KRWDZBQOSA-N 1 0 369.509 3.045 20 10 FGCDRO CO[C@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000435993570 501054995 /nfs/dbraw/zinc/05/49/95/501054995.db2.gz VOZYCRWORDNKOX-SJORKVTESA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1cc(Cl)cc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1O ZINC000529646086 504752003 /nfs/dbraw/zinc/75/20/03/504752003.db2.gz YRUNJGIMGFLTBE-UHFFFAOYSA-N 1 0 361.873 3.258 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)ccc21 ZINC000566405304 505165392 /nfs/dbraw/zinc/16/53/92/505165392.db2.gz VWTUWKUFMIMJCR-QAPCUYQASA-N 1 0 357.498 3.022 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1OC ZINC000821384349 599393406 /nfs/dbraw/zinc/39/34/06/599393406.db2.gz VZQKLFREQHPQDZ-AWEZNQCLSA-N 1 0 367.453 3.263 20 10 FGCDRO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941190 602203209 /nfs/dbraw/zinc/20/32/09/602203209.db2.gz UMYQREOVTYMWFF-DNVCBOLYSA-N 1 0 354.450 3.160 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000825642776 608519079 /nfs/dbraw/zinc/51/90/79/608519079.db2.gz BKWGZCBBAWSOAM-UHFFFAOYSA-N 1 0 365.437 3.136 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1cc(Br)ccc1O ZINC000037781995 695755364 /nfs/dbraw/zinc/75/53/64/695755364.db2.gz NHDMNELAUURJKC-BXUZGUMPSA-N 1 0 355.276 3.206 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC(C)(C)C ZINC000076118489 700224478 /nfs/dbraw/zinc/22/44/78/700224478.db2.gz URZCXBRKPIMBHW-LLVKDONJSA-N 1 0 357.292 3.280 20 10 FGCDRO CCN(CC)C(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118523 700224727 /nfs/dbraw/zinc/22/47/27/700224727.db2.gz AGUUJYYNOWBHDY-LBPRGKRZSA-N 1 0 357.292 3.234 20 10 FGCDRO Oc1ccc(Br)cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683327 700453026 /nfs/dbraw/zinc/45/30/26/700453026.db2.gz DHGNSJQCRNKTNK-AWEZNQCLSA-N 1 0 353.304 3.463 20 10 FGCDRO CC[N@H+](Cc1cc(C(N)=O)cs1)Cc1cc(Br)ccc1O ZINC000093866978 700455283 /nfs/dbraw/zinc/45/52/83/700455283.db2.gz YEIRGLACOHBCMH-UHFFFAOYSA-N 1 0 369.284 3.337 20 10 FGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359218 700571357 /nfs/dbraw/zinc/57/13/57/700571357.db2.gz JKHBVUIXCBFKGL-KRWDZBQOSA-N 1 0 362.905 3.150 20 10 FGCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000119057316 700618881 /nfs/dbraw/zinc/61/88/81/700618881.db2.gz FURQTFNWAFQOPF-OAHLLOKOSA-N 1 0 361.463 3.422 20 10 FGCDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000127275954 700759607 /nfs/dbraw/zinc/75/96/07/700759607.db2.gz RUZOALCIJNDORJ-SHACYNPGSA-N 1 0 372.962 3.374 20 10 FGCDRO CSCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262993 704818649 /nfs/dbraw/zinc/81/86/49/704818649.db2.gz BNJGKPPJIXDUPF-HNNXBMFYSA-N 1 0 356.919 3.269 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)cc1F ZINC000158578022 705191309 /nfs/dbraw/zinc/19/13/09/705191309.db2.gz RITLFOHVSQWRGX-UHFFFAOYSA-N 1 0 352.498 3.154 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000164196754 705326010 /nfs/dbraw/zinc/32/60/10/705326010.db2.gz BFDKXJPURHERRC-OAHLLOKOSA-N 1 0 350.459 3.198 20 10 FGCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2O)c(C)s1 ZINC000186141578 712710552 /nfs/dbraw/zinc/71/05/52/712710552.db2.gz WKEWXUQOWIJCFJ-ZDUSSCGKSA-N 1 0 368.524 3.008 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000187692680 712751980 /nfs/dbraw/zinc/75/19/80/712751980.db2.gz VCIBMZLFSRENGS-UONOGXRCSA-N 1 0 350.459 3.308 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1O ZINC000189920758 712803660 /nfs/dbraw/zinc/80/36/60/712803660.db2.gz JBCTWECKLBLAOI-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cc(Br)ccc1O ZINC000228636170 713574807 /nfs/dbraw/zinc/57/48/07/713574807.db2.gz FTZWCKVNRCRTAT-SNAWJCMRSA-N 1 0 371.275 3.325 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000245796097 713612119 /nfs/dbraw/zinc/61/21/19/713612119.db2.gz XABQPPYGDUZODB-RBUKOAKNSA-N 1 0 352.544 3.320 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000779528949 724417259 /nfs/dbraw/zinc/41/72/59/724417259.db2.gz BPYOCDJBSVUEHU-AGHZKPIHSA-N 1 0 360.841 3.184 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000780892650 724512247 /nfs/dbraw/zinc/51/22/47/724512247.db2.gz JTTLVABFPABKER-ZIAGYGMSSA-N 1 0 350.459 3.231 20 10 FGCDRO CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978784 727289903 /nfs/dbraw/zinc/28/99/03/727289903.db2.gz DKKZKPSLFDMYSC-IONNQARKSA-N 1 0 366.097 3.305 20 10 FGCDRO CN(C)c1ccc(CN(C(=S)NCC(C)(C)C[NH+](C)C)C2CC2)cc1 ZINC000727079880 722441053 /nfs/dbraw/zinc/44/10/53/722441053.db2.gz WCJCOAOQRLFYJN-UHFFFAOYSA-N 1 0 362.587 3.179 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000731450268 722475394 /nfs/dbraw/zinc/47/53/94/722475394.db2.gz WMVJPMUKKFTMEP-UHFFFAOYSA-N 1 0 367.209 3.271 20 10 FGCDRO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732048902 722481042 /nfs/dbraw/zinc/48/10/42/722481042.db2.gz LLWXWBBADVFXNR-AWEZNQCLSA-N 1 0 362.817 3.425 20 10 FGCDRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)cc2F)CC1 ZINC000732286744 722483456 /nfs/dbraw/zinc/48/34/56/722483456.db2.gz WGLDRNUUWDRMTO-UHFFFAOYSA-N 1 0 363.458 3.376 20 10 FGCDRO OCc1ccc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC000742369794 722556537 /nfs/dbraw/zinc/55/65/37/722556537.db2.gz UHUGYJMAYKBYMC-UHFFFAOYSA-N 1 0 352.381 3.132 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403277 722963984 /nfs/dbraw/zinc/96/39/84/722963984.db2.gz XNXLXQONHUKQFG-GHMZBOCLSA-N 1 0 357.267 3.429 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNc3nnc(-c4cccs4)o3)cc2)CC1 ZINC000758474606 722990443 /nfs/dbraw/zinc/99/04/43/722990443.db2.gz ZAPQZGMXRHJICJ-UHFFFAOYSA-N 1 0 355.467 3.162 20 10 FGCDRO C[C@H]1CCC[C@](CNC(=O)NCCCSc2nccs2)([NH+](C)C)C1 ZINC000759567484 723009410 /nfs/dbraw/zinc/00/94/10/723009410.db2.gz HMFLMPAMSHVKQH-YOEHRIQHSA-N 1 0 370.588 3.435 20 10 FGCDRO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Br)c(F)cc1[O-] ZINC000760866970 723099828 /nfs/dbraw/zinc/09/98/28/723099828.db2.gz BKNNCMYILHPTKL-SECBINFHSA-N 1 0 369.238 3.072 20 10 FGCDRO CN(Cc1nccn1CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000761219844 723134347 /nfs/dbraw/zinc/13/43/47/723134347.db2.gz DADFVTKBIMXHJW-UHFFFAOYSA-N 1 0 356.392 3.022 20 10 FGCDRO CN(Cc1c(Cl)nc(Cl)n1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222236 723134610 /nfs/dbraw/zinc/13/46/10/723134610.db2.gz RSPSQMCRTGUFOT-UHFFFAOYSA-N 1 0 357.285 3.304 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000790734709 723171430 /nfs/dbraw/zinc/17/14/30/723171430.db2.gz CQOAXGYLGXHMHQ-TZMCWYRMSA-N 1 0 351.393 3.181 20 10 FGCDRO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000792166354 723317185 /nfs/dbraw/zinc/31/71/85/723317185.db2.gz YWHBGHBJFMJTJR-UHFFFAOYSA-N 1 0 356.869 3.119 20 10 FGCDRO OCC[N@H+](Cc1ccc(Br)s1)Cc1cc(F)ccc1O ZINC000792197137 723321070 /nfs/dbraw/zinc/32/10/70/723321070.db2.gz XSJONABJIJORSP-UHFFFAOYSA-N 1 0 360.248 3.350 20 10 FGCDRO COCCOC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792824591 723371423 /nfs/dbraw/zinc/37/14/23/723371423.db2.gz MQFFYCRAIKBOEC-UHFFFAOYSA-N 1 0 360.420 3.399 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCNC(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000792920544 723382561 /nfs/dbraw/zinc/38/25/61/723382561.db2.gz ZJWDPBSBOYTJSB-UHFFFAOYSA-N 1 0 371.428 3.353 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCOc2ncccc2F)c(C(F)(F)F)c1 ZINC000793027776 723393559 /nfs/dbraw/zinc/39/35/59/723393559.db2.gz UVAKQYKZZREDNG-UHFFFAOYSA-N 1 0 357.351 3.474 20 10 FGCDRO CN(C)c1ccc([C@H](C[NH2+]CC2(F)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000793038557 723394790 /nfs/dbraw/zinc/39/47/90/723394790.db2.gz RVSYAPRYVSXXBP-INIZCTEOSA-N 1 0 351.466 3.410 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)c(C(F)(F)F)c1 ZINC000793082687 723398319 /nfs/dbraw/zinc/39/83/19/723398319.db2.gz OQIJSQAVGDVCQK-KRWDZBQOSA-N 1 0 360.420 3.039 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000764766615 723443807 /nfs/dbraw/zinc/44/38/07/723443807.db2.gz GRHBKVXORSLMAQ-LJQANCHMSA-N 1 0 361.511 3.365 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000793565759 723449252 /nfs/dbraw/zinc/44/92/52/723449252.db2.gz DBTJOGSFWDLYFK-CORIIIEPSA-N 1 0 374.319 3.272 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1O ZINC000793608494 723454490 /nfs/dbraw/zinc/45/44/90/723454490.db2.gz JQLSPXDQTWHCMW-AWEZNQCLSA-N 1 0 358.276 3.290 20 10 FGCDRO CS[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@@H]1[NH+](C)C ZINC000765268540 723500060 /nfs/dbraw/zinc/50/00/60/723500060.db2.gz JUSZYRBWUIYMLQ-JKSUJKDBSA-N 1 0 363.552 3.273 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000765980938 723549943 /nfs/dbraw/zinc/54/99/43/723549943.db2.gz VAJKBSPSBVYDOO-KRWDZBQOSA-N 1 0 358.507 3.081 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766584491 723582309 /nfs/dbraw/zinc/58/23/09/723582309.db2.gz UIIWHLSEZWYBAL-ZFWWWQNUSA-N 1 0 360.889 3.108 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584779 723582671 /nfs/dbraw/zinc/58/26/71/723582671.db2.gz OJZBIQSAFKETNH-QEEYODRMSA-N 1 0 363.933 3.310 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000768317489 723653813 /nfs/dbraw/zinc/65/38/13/723653813.db2.gz FHWAJJVSNRYBKG-UHFFFAOYSA-N 1 0 358.869 3.241 20 10 FGCDRO COC(=O)C1([N@H+](C)Cc2cccc(Br)c2[O-])CCCCC1 ZINC000769401525 723684487 /nfs/dbraw/zinc/68/44/87/723684487.db2.gz LQTDDUVUCZVRSE-UHFFFAOYSA-N 1 0 356.260 3.462 20 10 FGCDRO CN(CC(F)F)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000769511836 723688262 /nfs/dbraw/zinc/68/82/62/723688262.db2.gz WXLFHNROVBBOSQ-UHFFFAOYSA-N 1 0 363.246 3.316 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000770376633 723712304 /nfs/dbraw/zinc/71/23/04/723712304.db2.gz WIEOBQWLQOFDAF-OLZOCXBDSA-N 1 0 370.287 3.412 20 10 FGCDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1C ZINC000771052438 723726735 /nfs/dbraw/zinc/72/67/35/723726735.db2.gz FENOCFAIWJVTEO-MRXNPFEDSA-N 1 0 361.873 3.087 20 10 FGCDRO CC[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058312 723727022 /nfs/dbraw/zinc/72/70/22/723727022.db2.gz MMRBSESEWRSTLQ-JZXOWHBKSA-N 1 0 366.889 3.084 20 10 FGCDRO O=C(CCn1cccc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771069231 723727159 /nfs/dbraw/zinc/72/71/59/723727159.db2.gz XRMXXQVYUDGUCX-QGZVFWFLSA-N 1 0 361.873 3.018 20 10 FGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774914837 723941820 /nfs/dbraw/zinc/94/18/20/723941820.db2.gz WZAHBIJRUSHVCV-LSDHHAIUSA-N 1 0 352.431 3.335 20 10 FGCDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000775304636 723980608 /nfs/dbraw/zinc/98/06/08/723980608.db2.gz GLGIOKXAEYJCRL-YLJYHZDGSA-N 1 0 362.539 3.003 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1cc(Cl)ccc1O ZINC000775490944 723995327 /nfs/dbraw/zinc/99/53/27/723995327.db2.gz FMZJHFPKVYMICN-KRWDZBQOSA-N 1 0 362.857 3.411 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Br)ccc1O ZINC000775526853 723998097 /nfs/dbraw/zinc/99/80/97/723998097.db2.gz MFENRBVFANXISW-DWZYQQQCSA-N 1 0 367.287 3.205 20 10 FGCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC000799349334 724016219 /nfs/dbraw/zinc/01/62/19/724016219.db2.gz FATSIKDNGZASHV-MRXNPFEDSA-N 1 0 350.256 3.238 20 10 FGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(C)cc1O ZINC000800503240 724204152 /nfs/dbraw/zinc/20/41/52/724204152.db2.gz QAUQNNXBRCMMAD-LJQANCHMSA-N 1 0 361.507 3.399 20 10 FGCDRO COc1cc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c(O)cc1C ZINC000800851524 724237751 /nfs/dbraw/zinc/23/77/51/724237751.db2.gz DOUJUNGSALAFMT-UHFFFAOYSA-N 1 0 362.495 3.217 20 10 FGCDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cc(Br)ccc1O ZINC000807740367 725167799 /nfs/dbraw/zinc/16/77/99/725167799.db2.gz UQEIOLCWNHNNBE-AWEZNQCLSA-N 1 0 355.276 3.035 20 10 FGCDRO OCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000808429100 725200704 /nfs/dbraw/zinc/20/07/04/725200704.db2.gz ASVQWSSTQFAUFQ-FQEVSTJZSA-N 1 0 360.885 3.390 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2COc3ccccc32)c1O ZINC000808450785 725201740 /nfs/dbraw/zinc/20/17/40/725201740.db2.gz ACLCYFRYEBOVPI-LBPRGKRZSA-N 1 0 364.239 3.429 20 10 FGCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000809713946 725261944 /nfs/dbraw/zinc/26/19/44/725261944.db2.gz RNHCHEBFIKNBEF-OAHLLOKOSA-N 1 0 369.303 3.344 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(C(F)(F)F)cc1O ZINC000810216443 725297432 /nfs/dbraw/zinc/29/74/32/725297432.db2.gz VYHWAXJIDIMHOU-OCCSQVGLSA-N 1 0 354.376 3.367 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)c(OC)n1 ZINC000810260971 725300379 /nfs/dbraw/zinc/30/03/79/725300379.db2.gz RIFXIHNSQTZBAH-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO COCC1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000813780850 726913842 /nfs/dbraw/zinc/91/38/42/726913842.db2.gz JMXXTIDIYLHNSF-UHFFFAOYSA-N 1 0 360.420 3.304 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC(OC(C)(C)C)C1 ZINC000817416189 727249390 /nfs/dbraw/zinc/24/93/90/727249390.db2.gz PBSUNSSHMXQSMT-UHFFFAOYSA-N 1 0 350.478 3.440 20 10 FGCDRO C[C@@H](NCC1([NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817938002 727288575 /nfs/dbraw/zinc/28/85/75/727288575.db2.gz BCLNGNYHBVSCMT-OAHLLOKOSA-N 1 0 351.922 3.489 20 10 FGCDRO C[C@](O)(C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC000819001858 727336547 /nfs/dbraw/zinc/33/65/47/727336547.db2.gz GNECBWSDYGCCFB-HNNXBMFYSA-N 1 0 368.346 3.160 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)COCc1cccs1 ZINC000819376743 727372001 /nfs/dbraw/zinc/37/20/01/727372001.db2.gz INWHCYHSAHRKRH-APWZRJJASA-N 1 0 362.539 3.221 20 10 FGCDRO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824548604 729346556 /nfs/dbraw/zinc/34/65/56/729346556.db2.gz OZGWKMIVICDATM-UHFFFAOYSA-N 1 0 369.303 3.139 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H](O)C(F)F ZINC000824635551 729352108 /nfs/dbraw/zinc/35/21/08/729352108.db2.gz HQMYJZABFZZXNO-WMZOPIPTSA-N 1 0 351.393 3.465 20 10 FGCDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1=O ZINC000825337070 729379458 /nfs/dbraw/zinc/37/94/58/729379458.db2.gz HUCKSLYZCSFUJG-HNNXBMFYSA-N 1 0 360.841 3.258 20 10 FGCDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1cc(Br)ccc1O ZINC000825893291 729398661 /nfs/dbraw/zinc/39/86/61/729398661.db2.gz UWSXLFVPUWUGPS-HNNXBMFYSA-N 1 0 358.276 3.076 20 10 FGCDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826013511 729402349 /nfs/dbraw/zinc/40/23/49/729402349.db2.gz WAMHHTIHSLGMEH-MRXNPFEDSA-N 1 0 353.434 3.031 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccc(F)cc1 ZINC000826122054 729405504 /nfs/dbraw/zinc/40/55/04/729405504.db2.gz XJEUMMATOQKYBZ-ZDUSSCGKSA-N 1 0 354.219 3.160 20 10 FGCDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320408 729428632 /nfs/dbraw/zinc/42/86/32/729428632.db2.gz ILHPZXLPBWGXHA-IBGZPJMESA-N 1 0 361.555 3.154 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(F)(F)c2cccc(Cl)c2)cc1 ZINC000832278545 729701871 /nfs/dbraw/zinc/70/18/71/729701871.db2.gz DTVDGFQYJPXBCT-MRXNPFEDSA-N 1 0 367.827 3.314 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1cc(Br)ccc1O ZINC000834880712 729841967 /nfs/dbraw/zinc/84/19/67/729841967.db2.gz OMGGEEDWUHEFGY-WPGHFRTFSA-N 1 0 358.276 3.247 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000834915109 729846161 /nfs/dbraw/zinc/84/61/61/729846161.db2.gz PWBCHZZMOSFFTR-NJZAAPMLSA-N 1 0 367.287 3.267 20 10 FGCDRO CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000835055628 729853791 /nfs/dbraw/zinc/85/37/91/729853791.db2.gz LXWBLRFHXRWQKH-OVKVCFKUSA-N 1 0 350.528 3.055 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c(Cl)c1 ZINC000840874669 730186597 /nfs/dbraw/zinc/18/65/97/730186597.db2.gz AKYFLHWGKCMINA-AWEZNQCLSA-N 1 0 361.873 3.264 20 10 FGCDRO CCc1nsc(N2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840922173 730192000 /nfs/dbraw/zinc/19/20/00/730192000.db2.gz JQSHVZRQVKPHIZ-UHFFFAOYSA-N 1 0 366.918 3.480 20 10 FGCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000840957971 730197356 /nfs/dbraw/zinc/19/73/56/730197356.db2.gz NNYLZNXMTNQSIQ-QGZVFWFLSA-N 1 0 357.523 3.295 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000840960488 730197632 /nfs/dbraw/zinc/19/76/32/730197632.db2.gz ICZSWZNWTIILFS-MGPLVRAMSA-N 1 0 358.276 3.457 20 10 FGCDRO Brc1cc(CN[C@@H]2CCC[NH2+]C2)ccc1N1CCCCC1 ZINC000841042281 730205356 /nfs/dbraw/zinc/20/53/56/730205356.db2.gz IKHTVGXDBPASQK-OAHLLOKOSA-N 1 0 352.320 3.281 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(F)cc2Br)cc1 ZINC000841042376 730205411 /nfs/dbraw/zinc/20/54/11/730205411.db2.gz IZNQEHULGVWTBJ-KRWDZBQOSA-N 1 0 366.278 3.444 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(O)ccc2Br)cc1 ZINC000841045112 730205846 /nfs/dbraw/zinc/20/58/46/730205846.db2.gz HXNJMTFGYYYHIP-QGZVFWFLSA-N 1 0 364.287 3.010 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[NH2+]CC3)cc2Cl)C1 ZINC000841895513 730284026 /nfs/dbraw/zinc/28/40/26/730284026.db2.gz DHBVWGBSDNKECW-OAHLLOKOSA-N 1 0 364.921 3.081 20 10 FGCDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841897355 730284243 /nfs/dbraw/zinc/28/42/43/730284243.db2.gz XUDXKXNLOBGTAG-MGPQQGTHSA-N 1 0 352.910 3.111 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000843046390 730573969 /nfs/dbraw/zinc/57/39/69/730573969.db2.gz TZMMXGXEWKLVMK-INIZCTEOSA-N 1 0 353.304 3.427 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000843114143 730587560 /nfs/dbraw/zinc/58/75/60/730587560.db2.gz DJVRMOCVPSFECW-INIZCTEOSA-N 1 0 362.271 3.005 20 10 FGCDRO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000845100589 730810200 /nfs/dbraw/zinc/81/02/00/730810200.db2.gz BJRBDEHRXGHWFU-ZIAGYGMSSA-N 1 0 365.905 3.498 20 10 FGCDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cc(Cl)ccc1O)OCCO2 ZINC000846058203 730924321 /nfs/dbraw/zinc/92/43/21/730924321.db2.gz NWHGPXAGBJAFOT-UHFFFAOYSA-N 1 0 350.758 3.015 20 10 FGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846157035 730932626 /nfs/dbraw/zinc/93/26/26/730932626.db2.gz ILFKDOUELJMVGZ-GJZGRUSLSA-N 1 0 363.479 3.304 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000846206258 730936448 /nfs/dbraw/zinc/93/64/48/730936448.db2.gz OQHVZEDCHPSEMC-XHDPSFHLSA-N 1 0 367.287 3.206 20 10 FGCDRO CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000846210888 730936786 /nfs/dbraw/zinc/93/67/86/730936786.db2.gz CWRLSBPQJZQZDL-GDBMZVCRSA-N 1 0 358.276 3.127 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000848525083 731175284 /nfs/dbraw/zinc/17/52/84/731175284.db2.gz MSEOQJBWNFNSBU-JQWIXIFHSA-N 1 0 355.276 3.051 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCNc2ccccn2)c1O ZINC000848528883 731176015 /nfs/dbraw/zinc/17/60/15/731176015.db2.gz JAFTUASCRBLWNP-LLVKDONJSA-N 1 0 366.259 3.321 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2snnc2C)c1O ZINC000848551782 731180180 /nfs/dbraw/zinc/18/01/80/731180180.db2.gz TXWFQNAKHMTCCW-ZETCQYMHSA-N 1 0 358.261 3.174 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccccn2)c1O ZINC000848567306 731182711 /nfs/dbraw/zinc/18/27/11/731182711.db2.gz SFOCMPXMEMQHLQ-NSHDSACASA-N 1 0 351.244 3.279 20 10 FGCDRO COc1cc(C[NH2+]C[C@]2(N(C)C)CCSC2)c(O)c(C(C)(C)C)c1 ZINC000850171203 731328654 /nfs/dbraw/zinc/32/86/54/731328654.db2.gz ZVTWQMWUODXQOY-LJQANCHMSA-N 1 0 352.544 3.225 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1O ZINC000850344216 731344522 /nfs/dbraw/zinc/34/45/22/731344522.db2.gz YBGNAYYEAVNXIN-CYBMUJFWSA-N 1 0 357.292 3.126 20 10 FGCDRO O=[S@](CC[NH2+]Cc1cc(-c2ccccc2)ccc1O)CC(F)(F)F ZINC000850347957 731345764 /nfs/dbraw/zinc/34/57/64/731345764.db2.gz BRTAFXYFZSRBAN-XMMPIXPASA-N 1 0 357.397 3.460 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1 ZINC000850368955 731349039 /nfs/dbraw/zinc/34/90/39/731349039.db2.gz QFWAUGGTCRUOTQ-FUHWJXTLSA-N 1 0 352.544 3.368 20 10 FGCDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000850384971 731350623 /nfs/dbraw/zinc/35/06/23/731350623.db2.gz VSUQINUJAWWUDF-CZUORRHYSA-N 1 0 364.287 3.389 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C(C)(C)C(F)F)CC2)cc1 ZINC000850428662 731356333 /nfs/dbraw/zinc/35/63/33/731356333.db2.gz JQNOYBWPSMPYIP-HNNXBMFYSA-N 1 0 355.473 3.087 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)cc1O ZINC000850559086 731373312 /nfs/dbraw/zinc/37/33/12/731373312.db2.gz XCYDHSYZZBKVIN-RYUDHWBXSA-N 1 0 369.303 3.452 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000852851938 731641050 /nfs/dbraw/zinc/64/10/50/731641050.db2.gz YPEQHLBDIYUVAR-UHFFFAOYSA-N 1 0 367.287 3.178 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000853084243 731662089 /nfs/dbraw/zinc/66/20/89/731662089.db2.gz GDNFKBDUMZGQOF-LJQANCHMSA-N 1 0 350.459 3.280 20 10 FGCDRO CO[C@@H](CC(C)C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000857471837 732133085 /nfs/dbraw/zinc/13/30/85/732133085.db2.gz CCDSSWCJFMKGIR-AEFFLSMTSA-N 1 0 368.905 3.187 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1F ZINC000858100189 732180581 /nfs/dbraw/zinc/18/05/81/732180581.db2.gz NDHXFBJNDFUFAW-LLVKDONJSA-N 1 0 351.363 3.005 20 10 FGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C(=O)N1CCCC[C@@H]1C ZINC000858121803 732182910 /nfs/dbraw/zinc/18/29/10/732182910.db2.gz AHGYNIMFEKAMTE-NWDGAFQWSA-N 1 0 355.276 3.034 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCCCO1 ZINC000858354166 732206552 /nfs/dbraw/zinc/20/65/52/732206552.db2.gz LNOGWCNXDDYSEW-AXHMDWHKSA-N 1 0 350.478 3.487 20 10 FGCDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000862333053 732810620 /nfs/dbraw/zinc/81/06/20/732810620.db2.gz NAZJQSWYMIFNNE-GOSISDBHSA-N 1 0 373.250 3.251 20 10 FGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000862482449 732839814 /nfs/dbraw/zinc/83/98/14/732839814.db2.gz UCUXIBBNVADWKR-KRWDZBQOSA-N 1 0 350.821 3.180 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccncc3Br)C2)cc1 ZINC000865622303 733240267 /nfs/dbraw/zinc/24/02/67/733240267.db2.gz RZCOGTKNHQRFQS-CQSZACIVSA-N 1 0 362.271 3.221 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000866535505 733362220 /nfs/dbraw/zinc/36/22/20/733362220.db2.gz DZQKHDLOIIKFLV-UONOGXRCSA-N 1 0 363.479 3.259 20 10 FGCDRO COc1ccc(C[NH2+][C@H](CCO)c2cccs2)cc1Cn1cccn1 ZINC000873058850 735715083 /nfs/dbraw/zinc/71/50/83/735715083.db2.gz KEYGUVNNQOREET-QGZVFWFLSA-N 1 0 357.479 3.215 20 10 FGCDRO CCCOc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1C ZINC000873129834 735723956 /nfs/dbraw/zinc/72/39/56/735723956.db2.gz VWETZFSTXOZYFW-UHFFFAOYSA-N 1 0 353.528 3.477 20 10 FGCDRO CCC1([NH+](C)C)CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000875374366 735982234 /nfs/dbraw/zinc/98/22/34/735982234.db2.gz IWTSBGGCWLZNLC-UHFFFAOYSA-N 1 0 356.561 3.141 20 10 FGCDRO Cc1nnsc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071166 736183737 /nfs/dbraw/zinc/18/37/37/736183737.db2.gz FVWCSCCZBGFSKX-GFCCVEGCSA-N 1 0 354.426 3.207 20 10 FGCDRO Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(O)c1 ZINC000877506651 736674082 /nfs/dbraw/zinc/67/40/82/736674082.db2.gz AZKYNFDCCMIOPE-UHFFFAOYSA-N 1 0 373.396 3.413 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC000877733658 736711487 /nfs/dbraw/zinc/71/14/87/736711487.db2.gz VYEHBDCRDFJOFQ-UHFFFAOYSA-N 1 0 355.360 3.242 20 10 FGCDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2O)N1 ZINC000877843330 736734754 /nfs/dbraw/zinc/73/47/54/736734754.db2.gz PLPZIBXFGJOYEQ-CYBMUJFWSA-N 1 0 358.199 3.001 20 10 FGCDRO CC[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000883309468 737552651 /nfs/dbraw/zinc/55/26/51/737552651.db2.gz NIGMLJLOTWMWND-OCCSQVGLSA-N 1 0 365.417 3.419 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cscc3Cl)cc2)CC1 ZINC000886325222 739244208 /nfs/dbraw/zinc/24/42/08/739244208.db2.gz YVAKWAVBUPCHIO-UHFFFAOYSA-N 1 0 363.914 3.393 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C(F)(F)F)CCC2)[NH+](C)C)cc1 ZINC000891248849 739886564 /nfs/dbraw/zinc/88/65/64/739886564.db2.gz NOSLGLVOFGXRJT-OAHLLOKOSA-N 1 0 357.420 3.204 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891249573 739886682 /nfs/dbraw/zinc/88/66/82/739886682.db2.gz RNFZDSQCUPYBFH-WBVHZDCISA-N 1 0 353.457 3.297 20 10 FGCDRO COc1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c(O)c1OC ZINC000894803495 742336619 /nfs/dbraw/zinc/33/66/19/742336619.db2.gz ZOIHHYPNGKJXPM-QGZVFWFLSA-N 1 0 351.468 3.320 20 10 FGCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000894868783 742344859 /nfs/dbraw/zinc/34/48/59/742344859.db2.gz GVMXYVWZNMBCDA-CQSZACIVSA-N 1 0 352.475 3.492 20 10 FGCDRO OCC1(C(F)(F)F)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000897047790 742636131 /nfs/dbraw/zinc/63/61/31/742636131.db2.gz ZCEMQWSJUMONNO-UHFFFAOYSA-N 1 0 368.193 3.292 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2cc(C3CC3)n(C)n2)c1O ZINC000897232598 742656778 /nfs/dbraw/zinc/65/67/78/742656778.db2.gz XCJGJSBFRGKMMR-UHFFFAOYSA-N 1 0 350.260 3.364 20 10 FGCDRO C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(Br)cc(Br)c1[O-] ZINC000902405021 743741226 /nfs/dbraw/zinc/74/12/26/743741226.db2.gz IBNPMXIQHHHXGH-SSDOTTSWSA-N 1 0 364.081 3.059 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)c1 ZINC000903235440 743827517 /nfs/dbraw/zinc/82/75/17/743827517.db2.gz UWDPALNFISYSNX-SFHVURJKSA-N 1 0 362.495 3.240 20 10 FGCDRO C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903443096 743851933 /nfs/dbraw/zinc/85/19/33/743851933.db2.gz BIODPWYOGUKEDZ-OAHLLOKOSA-N 1 0 368.518 3.225 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)ccc1OC ZINC000922716776 758990607 /nfs/dbraw/zinc/99/06/07/758990607.db2.gz TYMLNHXESLVYCY-UHFFFAOYSA-N 1 0 357.376 3.274 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCc3nc4c(s3)CCC4)CC2)cc1 ZINC000922716372 758990754 /nfs/dbraw/zinc/99/07/54/758990754.db2.gz SXULHNHDZQCGQP-UHFFFAOYSA-N 1 0 357.523 3.442 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000922896719 759024097 /nfs/dbraw/zinc/02/40/97/759024097.db2.gz JKQQGVCHPWJMQS-BLLLJJGKSA-N 1 0 370.287 3.458 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000069713967 494000735 /nfs/dbraw/zinc/00/07/35/494000735.db2.gz DQUMGTASJRCVBN-INIZCTEOSA-N 1 0 367.493 3.261 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000089618954 494332330 /nfs/dbraw/zinc/33/23/30/494332330.db2.gz FHVHHHUECBMPDM-YOEHRIQHSA-N 1 0 369.431 3.491 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000092484865 494642619 /nfs/dbraw/zinc/64/26/19/494642619.db2.gz RMCNKSWWYFWXCK-UHFFFAOYSA-N 1 0 360.479 3.247 20 10 FGCDRO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958270 494734869 /nfs/dbraw/zinc/73/48/69/494734869.db2.gz UPJGRWATDWYCHT-VQTJNVASSA-N 1 0 356.466 3.204 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(CO)c1 ZINC000121412677 494744153 /nfs/dbraw/zinc/74/41/53/494744153.db2.gz SHPJOAFANYEZFZ-KRWDZBQOSA-N 1 0 354.494 3.238 20 10 FGCDRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000111236364 495052487 /nfs/dbraw/zinc/05/24/87/495052487.db2.gz BEYJMUJSCRKJLL-LJQANCHMSA-N 1 0 354.450 3.196 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)n1-c1ccccn1 ZINC000119230738 495122638 /nfs/dbraw/zinc/12/26/38/495122638.db2.gz FKQURGCJFYJTGV-PKOBYXMFSA-N 1 0 352.482 3.045 20 10 FGCDRO CN1CCCc2cc(CNC(=O)N3CCC([NH2+]C4CCCC4)CC3)ccc21 ZINC000131066601 495487465 /nfs/dbraw/zinc/48/74/65/495487465.db2.gz HQTOYYPTDHBNPF-UHFFFAOYSA-N 1 0 370.541 3.275 20 10 FGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)c2ccc(F)cc2C1 ZINC000185365667 495549080 /nfs/dbraw/zinc/54/90/80/495549080.db2.gz IXEGCPAAINVTNS-NRFANRHFSA-N 1 0 367.468 3.401 20 10 FGCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185377474 495554705 /nfs/dbraw/zinc/55/47/05/495554705.db2.gz VOEPSYOYACHPEG-NSHDSACASA-N 1 0 355.276 3.064 20 10 FGCDRO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000179581370 495648772 /nfs/dbraw/zinc/64/87/72/495648772.db2.gz ONCGNJNIZFVKOD-HNNXBMFYSA-N 1 0 361.511 3.264 20 10 FGCDRO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185648216 495660762 /nfs/dbraw/zinc/66/07/62/495660762.db2.gz IZNDUBSFYZJJPI-GFCCVEGCSA-N 1 0 360.329 3.376 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000179754910 495719829 /nfs/dbraw/zinc/71/98/29/495719829.db2.gz RXMJZAFVXWCHDX-UHFFFAOYSA-N 1 0 368.433 3.280 20 10 FGCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183019569 495800345 /nfs/dbraw/zinc/80/03/45/495800345.db2.gz NEIAGXONDRBLEC-UHFFFAOYSA-N 1 0 368.477 3.414 20 10 FGCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000160334023 495938764 /nfs/dbraw/zinc/93/87/64/495938764.db2.gz JVPNXNGBVBXPDF-RHSMWYFYSA-N 1 0 357.477 3.382 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000177274285 496002842 /nfs/dbraw/zinc/00/28/42/496002842.db2.gz WKIDQMIAYUWULK-AWEZNQCLSA-N 1 0 366.889 3.232 20 10 FGCDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175227523 496300021 /nfs/dbraw/zinc/30/00/21/496300021.db2.gz OGMITSXRWONLKQ-IBGZPJMESA-N 1 0 356.514 3.079 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC000184243748 496302020 /nfs/dbraw/zinc/30/20/20/496302020.db2.gz PONSJOHAQMBTIP-CWRNSKLLSA-N 1 0 362.470 3.136 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000187371125 496414515 /nfs/dbraw/zinc/41/45/15/496414515.db2.gz ROAROXWGGVPZFE-GWCFXTLKSA-N 1 0 350.260 3.394 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000184909472 496581626 /nfs/dbraw/zinc/58/16/26/496581626.db2.gz RVLNVTHGZTXLFG-CRAIPNDOSA-N 1 0 360.454 3.026 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3nnc4ccccn43)CC2)cc1 ZINC000164125577 496587655 /nfs/dbraw/zinc/58/76/55/496587655.db2.gz JQVDXHXGUIHBSZ-HNNXBMFYSA-N 1 0 351.454 3.058 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000184939483 496593497 /nfs/dbraw/zinc/59/34/97/496593497.db2.gz JFORUXBJIUFRQO-CMJOXMDJSA-N 1 0 353.871 3.264 20 10 FGCDRO O=C(CCc1ccccn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158123538 496633246 /nfs/dbraw/zinc/63/32/46/496633246.db2.gz CGNPQTVRQCVSMY-GOSISDBHSA-N 1 0 373.884 3.154 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000273418098 496800384 /nfs/dbraw/zinc/80/03/84/496800384.db2.gz RJXYMENVYLRVTJ-NSHDSACASA-N 1 0 354.859 3.268 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264574493 496933098 /nfs/dbraw/zinc/93/30/98/496933098.db2.gz IGQRDJAMCRGKDZ-FQEVSTJZSA-N 1 0 356.514 3.057 20 10 FGCDRO Cc1ccc(Cc2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)cn1 ZINC000273893227 496948075 /nfs/dbraw/zinc/94/80/75/496948075.db2.gz IINPUEHNWQNASX-RMKNXTFCSA-N 1 0 362.433 3.371 20 10 FGCDRO COc1c(O)c(C[N@H+](C)C[C@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278139932 497018150 /nfs/dbraw/zinc/01/81/50/497018150.db2.gz AQXAALYTQKIDHC-QGZVFWFLSA-N 1 0 358.394 3.055 20 10 FGCDRO CSC1(CNC(=O)NCc2c(C)c3ccccc3n2C)CC[NH+](C)CC1 ZINC000578183552 505880710 /nfs/dbraw/zinc/88/07/10/505880710.db2.gz GKOOPBBBRHWMCD-UHFFFAOYSA-N 1 0 374.554 3.113 20 10 FGCDRO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000265725864 497169052 /nfs/dbraw/zinc/16/90/52/497169052.db2.gz OQNFMVJYYLUQDU-UHFFFAOYSA-N 1 0 372.396 3.111 20 10 FGCDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274918280 497198590 /nfs/dbraw/zinc/19/85/90/497198590.db2.gz KSEZQBBKLQCBLN-HNNXBMFYSA-N 1 0 356.466 3.301 20 10 FGCDRO COc1ccc(N2CCCN(C(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237264606 497212268 /nfs/dbraw/zinc/21/22/68/497212268.db2.gz VMNUANDJURMJGM-DYESRHJHSA-N 1 0 367.493 3.070 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCN[C@@H](C)c3cscn3)CC2)cc1 ZINC000271152041 497273986 /nfs/dbraw/zinc/27/39/86/497273986.db2.gz QOKDOKRXOWSXAW-INIZCTEOSA-N 1 0 360.527 3.015 20 10 FGCDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(O)c3O)cc2F)CC1 ZINC000193017453 497276176 /nfs/dbraw/zinc/27/61/76/497276176.db2.gz ZSDJUSJHWHGYKP-UHFFFAOYSA-N 1 0 373.428 3.020 20 10 FGCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000275478668 497339370 /nfs/dbraw/zinc/33/93/70/497339370.db2.gz JALLFEZCGPRFOB-DENIHFKCSA-N 1 0 373.541 3.168 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1O ZINC000267298843 497518859 /nfs/dbraw/zinc/51/88/59/497518859.db2.gz FFYCUUUYXPLCGF-APWZRJJASA-N 1 0 353.466 3.102 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000279781677 497539742 /nfs/dbraw/zinc/53/97/42/497539742.db2.gz LKLLGYMKAXHTML-CQSZACIVSA-N 1 0 357.420 3.120 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1C ZINC000277077555 497735529 /nfs/dbraw/zinc/73/55/29/497735529.db2.gz TYRRWQPSJLVPMK-UHFFFAOYSA-N 1 0 353.871 3.356 20 10 FGCDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)c(=O)n1C ZINC000280496253 497771781 /nfs/dbraw/zinc/77/17/81/497771781.db2.gz FQYYKVDXJFUYDV-UHFFFAOYSA-N 1 0 353.388 3.068 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000280890582 497937372 /nfs/dbraw/zinc/93/73/72/497937372.db2.gz FBXZKEYTWYLHLH-GXTWGEPZSA-N 1 0 369.303 3.372 20 10 FGCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296205195 497954862 /nfs/dbraw/zinc/95/48/62/497954862.db2.gz CJLZTGPFSWRHGW-UHFFFAOYSA-N 1 0 373.541 3.040 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3cc(F)ccc3O)CC2)c1 ZINC000296352776 498009371 /nfs/dbraw/zinc/00/93/71/498009371.db2.gz IIOMRMONXMZEBG-ZDUSSCGKSA-N 1 0 361.417 3.303 20 10 FGCDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)ccc1O ZINC000281082376 498013421 /nfs/dbraw/zinc/01/34/21/498013421.db2.gz PGXZCNVQTJBJBE-ZUOKHONESA-N 1 0 360.317 3.497 20 10 FGCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000365123309 498307767 /nfs/dbraw/zinc/30/77/67/498307767.db2.gz UTLCDNZQAAQITJ-OAHLLOKOSA-N 1 0 368.393 3.106 20 10 FGCDRO C[C@@H]1C[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000361121842 498348668 /nfs/dbraw/zinc/34/86/68/498348668.db2.gz IKEPKILJCADSHE-OJYYBLKUSA-N 1 0 366.461 3.138 20 10 FGCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281997383 498350138 /nfs/dbraw/zinc/35/01/38/498350138.db2.gz CSGUMBWVPWIDKS-VQIMIIECSA-N 1 0 350.478 3.082 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000282189244 498417512 /nfs/dbraw/zinc/41/75/12/498417512.db2.gz KOZACGJZCBMPDG-UHFFFAOYSA-N 1 0 356.344 3.417 20 10 FGCDRO CC[C@@H]([NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000290308975 498503366 /nfs/dbraw/zinc/50/33/66/498503366.db2.gz ZOGOMWDSJHBSEV-DYESRHJHSA-N 1 0 359.466 3.444 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000362957905 498589342 /nfs/dbraw/zinc/58/93/42/498589342.db2.gz KWMBCUNEXGOIRR-OALUTQOASA-N 1 0 369.509 3.261 20 10 FGCDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000366070801 498761426 /nfs/dbraw/zinc/76/14/26/498761426.db2.gz ARSUSZAICRMHRL-MSOLQXFVSA-N 1 0 372.488 3.212 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287656129 498827138 /nfs/dbraw/zinc/82/71/38/498827138.db2.gz LMHWKUNMOLFDOI-ZWKOTPCHSA-N 1 0 353.938 3.358 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000294949254 498860693 /nfs/dbraw/zinc/86/06/93/498860693.db2.gz MKIQHCUTHVRMMJ-SFHVURJKSA-N 1 0 354.498 3.405 20 10 FGCDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295102692 498910347 /nfs/dbraw/zinc/91/03/47/498910347.db2.gz UHQWARZJPHYITF-RTWAWAEBSA-N 1 0 357.542 3.360 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1OC ZINC000291614333 499012980 /nfs/dbraw/zinc/01/29/80/499012980.db2.gz RGURRMBXMJQMCB-QGZVFWFLSA-N 1 0 354.450 3.046 20 10 FGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000295773884 499098988 /nfs/dbraw/zinc/09/89/88/499098988.db2.gz AMDFGYILWWYAIS-GOSISDBHSA-N 1 0 356.441 3.270 20 10 FGCDRO COCc1nccc([C@@H]2CCC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)n1 ZINC000372680258 499159983 /nfs/dbraw/zinc/15/99/83/499159983.db2.gz HENVTGVOYDUPHD-CQSZACIVSA-N 1 0 373.428 3.050 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000367319829 499180948 /nfs/dbraw/zinc/18/09/48/499180948.db2.gz XZADNSLAGNIRPR-WBVHZDCISA-N 1 0 374.485 3.142 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372854515 499184501 /nfs/dbraw/zinc/18/45/01/499184501.db2.gz DSDLZPMJRHAVQB-DYESRHJHSA-N 1 0 353.510 3.003 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000367357787 499187672 /nfs/dbraw/zinc/18/76/72/499187672.db2.gz YGBFXSLIFDFXMS-HNNXBMFYSA-N 1 0 370.497 3.469 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)cc1F ZINC000367670519 499223173 /nfs/dbraw/zinc/22/31/73/499223173.db2.gz NGVYPCVCAMMDQC-UHFFFAOYSA-N 1 0 356.489 3.383 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1OC ZINC000370649680 499239865 /nfs/dbraw/zinc/23/98/65/499239865.db2.gz GFWFRCIOQGNOJI-INIZCTEOSA-N 1 0 356.466 3.416 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000368031238 499257351 /nfs/dbraw/zinc/25/73/51/499257351.db2.gz SKILIRUBNUVUJE-HNNXBMFYSA-N 1 0 359.470 3.355 20 10 FGCDRO COc1cccc(C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c1O ZINC000371327924 499310619 /nfs/dbraw/zinc/31/06/19/499310619.db2.gz QHFJUGUIRLTFJK-IBGZPJMESA-N 1 0 360.498 3.404 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1O ZINC000371396797 499320659 /nfs/dbraw/zinc/32/06/59/499320659.db2.gz UKPBJAIYSDQWLX-CQSZACIVSA-N 1 0 361.467 3.098 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)c1O ZINC000371395661 499320695 /nfs/dbraw/zinc/32/06/95/499320695.db2.gz JAPPFIJKFAQPPY-AWEZNQCLSA-N 1 0 361.467 3.016 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799041 499333947 /nfs/dbraw/zinc/33/39/47/499333947.db2.gz UMZYBYHUBKCAPX-CVEARBPZSA-N 1 0 366.465 3.459 20 10 FGCDRO Cn1cncc1C[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000368944157 499349114 /nfs/dbraw/zinc/34/91/14/499349114.db2.gz SRNUXBLCNWESGT-UHFFFAOYSA-N 1 0 354.376 3.077 20 10 FGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000371677221 499353938 /nfs/dbraw/zinc/35/39/38/499353938.db2.gz RTSJNHYQFIRDHU-QGZVFWFLSA-N 1 0 352.413 3.203 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000378382199 499509931 /nfs/dbraw/zinc/50/99/31/499509931.db2.gz YJGWFNDOCKVKEJ-IEBWSBKVSA-N 1 0 359.470 3.003 20 10 FGCDRO Nc1ccc(CC(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000375515501 499527414 /nfs/dbraw/zinc/52/74/14/499527414.db2.gz SGEHPVXLRSCZII-CTNGQTDRSA-N 1 0 351.494 3.010 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000375877108 499564100 /nfs/dbraw/zinc/56/41/00/499564100.db2.gz WXDMSDIYXNHBEI-SJLPKXTDSA-N 1 0 354.498 3.072 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccccc1O ZINC000376320984 499600347 /nfs/dbraw/zinc/60/03/47/499600347.db2.gz KSJSPIXFUBMVRS-QAPCUYQASA-N 1 0 353.466 3.201 20 10 FGCDRO C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377624058 499712177 /nfs/dbraw/zinc/71/21/77/499712177.db2.gz KNDKKPFIOFWLQG-CQSZACIVSA-N 1 0 372.340 3.158 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)cc1C ZINC000377838154 499740725 /nfs/dbraw/zinc/74/07/25/499740725.db2.gz WAXRIUCTFFQDPK-UHFFFAOYSA-N 1 0 354.450 3.109 20 10 FGCDRO COC[C@@]1(C[NH2+][C@H](C)c2cc(OC)ccc2O)OCCc2ccccc21 ZINC000377936358 499749354 /nfs/dbraw/zinc/74/93/54/499749354.db2.gz DVBSYEMYQQQQTH-QVKFZJNVSA-N 1 0 357.450 3.166 20 10 FGCDRO COC[C@]1(C[NH2+][C@H](C)c2cc(OC)ccc2O)OCCc2ccccc21 ZINC000377936359 499749385 /nfs/dbraw/zinc/74/93/85/499749385.db2.gz DVBSYEMYQQQQTH-VFNWGFHPSA-N 1 0 357.450 3.166 20 10 FGCDRO CC[C@H]1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCO1 ZINC000443951709 500782383 /nfs/dbraw/zinc/78/23/83/500782383.db2.gz UVYDWKVAGPDJOK-KRWDZBQOSA-N 1 0 369.509 3.045 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@](C)(F)C2)C1 ZINC000444353941 500838394 /nfs/dbraw/zinc/83/83/94/500838394.db2.gz VIZKOZGHHZDBDE-NRFANRHFSA-N 1 0 357.473 3.368 20 10 FGCDRO CO[C@@H]1CC[C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000435993560 501055092 /nfs/dbraw/zinc/05/50/92/501055092.db2.gz VOZYCRWORDNKOX-DLBZAZTESA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458736562 501518714 /nfs/dbraw/zinc/51/87/14/501518714.db2.gz JRVPAQZGSGBFRQ-HNNXBMFYSA-N 1 0 354.498 3.112 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@@H](C)O2)C1 ZINC000457361581 501687321 /nfs/dbraw/zinc/68/73/21/501687321.db2.gz KRNHMIWTBXXEEN-IAGOWNOFSA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000472287109 502300307 /nfs/dbraw/zinc/30/03/07/502300307.db2.gz ORDXSSQZHSMQQQ-QGZVFWFLSA-N 1 0 354.498 3.114 20 10 FGCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@@H]1C ZINC000498553261 503208438 /nfs/dbraw/zinc/20/84/38/503208438.db2.gz FECKEQLTAGVPKR-JKSUJKDBSA-N 1 0 371.525 3.459 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)ccc21 ZINC000583032170 506552964 /nfs/dbraw/zinc/55/29/64/506552964.db2.gz BYKASRHSWHSYKO-QFIPXVFZSA-N 1 0 369.509 3.120 20 10 FGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434645 608549836 /nfs/dbraw/zinc/54/98/36/608549836.db2.gz CQEWCJMGVCXBNA-ZDUSSCGKSA-N 1 0 353.426 3.164 20 10 FGCDRO OCC[N@H+](CCOCC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000093319914 700450265 /nfs/dbraw/zinc/45/02/65/700450265.db2.gz NLCOFWRNDPSHPU-UHFFFAOYSA-N 1 0 360.420 3.050 20 10 FGCDRO OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000093819508 700454937 /nfs/dbraw/zinc/45/49/37/700454937.db2.gz BSUGKDZJVYMSGN-UHFFFAOYSA-N 1 0 370.232 3.422 20 10 FGCDRO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccccc1O ZINC000109770110 700536656 /nfs/dbraw/zinc/53/66/56/700536656.db2.gz VVQNMLVEWHVHAH-LBPRGKRZSA-N 1 0 350.365 3.453 20 10 FGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000113359216 700571319 /nfs/dbraw/zinc/57/13/19/700571319.db2.gz JKHBVUIXCBFKGL-QGZVFWFLSA-N 1 0 362.905 3.150 20 10 FGCDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000119057829 700618908 /nfs/dbraw/zinc/61/89/08/700618908.db2.gz JRHIKPJQDISNJA-NVXWUHKLSA-N 1 0 368.905 3.023 20 10 FGCDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000127276442 700759719 /nfs/dbraw/zinc/75/97/19/700759719.db2.gz RUZOALCIJNDORJ-JBEBIEQOSA-N 1 0 372.962 3.374 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000131428822 700815208 /nfs/dbraw/zinc/81/52/08/700815208.db2.gz GCWQJJDBPLZCIP-HUUCEWRRSA-N 1 0 350.459 3.326 20 10 FGCDRO CC(C)C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000131851197 700820610 /nfs/dbraw/zinc/82/06/10/700820610.db2.gz YAFIESMHYFDPFG-SJLPKXTDSA-N 1 0 351.510 3.289 20 10 FGCDRO C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132118044 700824041 /nfs/dbraw/zinc/82/40/41/700824041.db2.gz BJRPXKIZDBHWKL-HNNXBMFYSA-N 1 0 353.938 3.415 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1cccc(Br)c1 ZINC000132598259 700829328 /nfs/dbraw/zinc/82/93/28/700829328.db2.gz IAFYCUMNVDXFHB-CQSZACIVSA-N 1 0 362.271 3.030 20 10 FGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000151794159 704938223 /nfs/dbraw/zinc/93/82/23/704938223.db2.gz BLFRXQJRBHIGOT-UHFFFAOYSA-N 1 0 360.420 3.465 20 10 FGCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000152170620 704952556 /nfs/dbraw/zinc/95/25/56/704952556.db2.gz ORSZMKXGFWSNLK-KBPBESRZSA-N 1 0 356.561 3.045 20 10 FGCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000152727432 704972410 /nfs/dbraw/zinc/97/24/10/704972410.db2.gz JNQHOOMYQZNZRF-ZIAGYGMSSA-N 1 0 356.561 3.045 20 10 FGCDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000166723981 705346014 /nfs/dbraw/zinc/34/60/14/705346014.db2.gz ZMBVTJAJGWDEJW-QGZVFWFLSA-N 1 0 351.510 3.435 20 10 FGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186164709 712711135 /nfs/dbraw/zinc/71/11/35/712711135.db2.gz ZVBSVWCQVSGWAV-ZFWWWQNUSA-N 1 0 351.443 3.434 20 10 FGCDRO COc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1F ZINC000194754219 713532890 /nfs/dbraw/zinc/53/28/90/713532890.db2.gz DFXLXBYFKXOTGK-XNTDXEJSSA-N 1 0 366.483 3.130 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000195204765 713549179 /nfs/dbraw/zinc/54/91/79/713549179.db2.gz DXPPROHSGBTUJY-LJQANCHMSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1O ZINC000374543308 713929615 /nfs/dbraw/zinc/92/96/15/713929615.db2.gz KLJWIYGEANVNSL-CYBMUJFWSA-N 1 0 366.259 3.064 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000382453661 713979924 /nfs/dbraw/zinc/97/99/24/713979924.db2.gz HPKSYCMDXCCURW-UKRRQHHQSA-N 1 0 350.459 3.184 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(C(F)(F)F)cc1 ZINC000779093747 724389626 /nfs/dbraw/zinc/38/96/26/724389626.db2.gz JJKXAXFZSMIVMN-CYBMUJFWSA-N 1 0 357.347 3.491 20 10 FGCDRO O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CN1c1ccc(Cl)c(F)c1 ZINC000779100930 724390293 /nfs/dbraw/zinc/39/02/93/724390293.db2.gz VHAJEXWNSPHCRG-GFCCVEGCSA-N 1 0 352.768 3.219 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000802655079 724398443 /nfs/dbraw/zinc/39/84/43/724398443.db2.gz UDNGHBLYKITIDW-LJQANCHMSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000790934660 723196010 /nfs/dbraw/zinc/19/60/10/723196010.db2.gz QPABRMDJQHGFTB-SMDDNHRTSA-N 1 0 358.276 3.289 20 10 FGCDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(Br)cc(C)c2O)C1(C)C ZINC000783724344 724782318 /nfs/dbraw/zinc/78/23/18/724782318.db2.gz VEYNPLQEFRXEMA-RHSMWYFYSA-N 1 0 372.303 3.119 20 10 FGCDRO Nc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000746291777 722597340 /nfs/dbraw/zinc/59/73/40/722597340.db2.gz NGTMTUNQHPBQPT-IBGZPJMESA-N 1 0 357.885 3.418 20 10 FGCDRO CNC(=O)Cc1nc(C[N@H+](Cc2ccccc2O)C2CCCC2)cs1 ZINC000749154004 722718077 /nfs/dbraw/zinc/71/80/77/722718077.db2.gz VMXKLYCGYYJQAH-UHFFFAOYSA-N 1 0 359.495 3.082 20 10 FGCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000749552264 722732851 /nfs/dbraw/zinc/73/28/51/722732851.db2.gz SVYRYMJLNQOVLE-UHFFFAOYSA-N 1 0 351.418 3.289 20 10 FGCDRO Cn1cc(C[N@H+](C)Cc2c(O)ccc3ccncc32)c(C(F)(F)F)n1 ZINC000749773694 722740392 /nfs/dbraw/zinc/74/03/92/722740392.db2.gz FMVZKHQOKXGUDF-UHFFFAOYSA-N 1 0 350.344 3.325 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756455153 722964931 /nfs/dbraw/zinc/96/49/31/722964931.db2.gz HSEGQGWMXDQTPG-CJNGLKHVSA-N 1 0 363.454 3.284 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000756493489 722965566 /nfs/dbraw/zinc/96/55/66/722965566.db2.gz GAYGWSNESODJPA-STQMWFEESA-N 1 0 364.467 3.184 20 10 FGCDRO C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1O ZINC000756650218 722968251 /nfs/dbraw/zinc/96/82/51/722968251.db2.gz UKEWGAGFEGSKTG-JTQLQIEISA-N 1 0 371.275 3.425 20 10 FGCDRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000756780512 722970021 /nfs/dbraw/zinc/97/00/21/722970021.db2.gz VCIMSXUKKJUOAW-AWEZNQCLSA-N 1 0 351.512 3.137 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Br)cc1O ZINC000756787888 722970049 /nfs/dbraw/zinc/97/00/49/722970049.db2.gz SUDKDEWWYUPSKR-DGCLKSJQSA-N 1 0 356.260 3.491 20 10 FGCDRO CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000757963759 722982086 /nfs/dbraw/zinc/98/20/86/722982086.db2.gz GBYPMXFZSGIUTE-UHFFFAOYSA-N 1 0 369.912 3.034 20 10 FGCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000763526939 723348572 /nfs/dbraw/zinc/34/85/72/723348572.db2.gz QGPKMEPMSHWXSM-LPHOPBHVSA-N 1 0 350.478 3.346 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763696865 723361707 /nfs/dbraw/zinc/36/17/07/723361707.db2.gz MJDMFAXBFCRWFA-ZDUSSCGKSA-N 1 0 354.244 3.072 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000792947487 723385712 /nfs/dbraw/zinc/38/57/12/723385712.db2.gz ZGACQVFXUQOFLM-GFCCVEGCSA-N 1 0 369.353 3.498 20 10 FGCDRO Cc1cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000793745784 723464066 /nfs/dbraw/zinc/46/40/66/723464066.db2.gz MNDNFTDEZBAGGQ-UHFFFAOYSA-N 1 0 353.528 3.255 20 10 FGCDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765141693 723484512 /nfs/dbraw/zinc/48/45/12/723484512.db2.gz NTVPVJHKKNLRQJ-OAHLLOKOSA-N 1 0 362.905 3.422 20 10 FGCDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765976827 723549552 /nfs/dbraw/zinc/54/95/52/723549552.db2.gz BDYSRYCOPVVUNI-KRWDZBQOSA-N 1 0 350.528 3.146 20 10 FGCDRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979898 723549684 /nfs/dbraw/zinc/54/96/84/723549684.db2.gz WMRKDVNTSRSSNT-HNNXBMFYSA-N 1 0 364.536 3.142 20 10 FGCDRO C[C@@H](CCC1CCCC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979604 723549705 /nfs/dbraw/zinc/54/97/05/723549705.db2.gz MILRQPWSJWIQLW-KRWDZBQOSA-N 1 0 364.555 3.370 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000796532183 723641911 /nfs/dbraw/zinc/64/19/11/723641911.db2.gz PPBCIGNRQUTTID-NXEZZACHSA-N 1 0 368.890 3.212 20 10 FGCDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000769513830 723688337 /nfs/dbraw/zinc/68/83/37/723688337.db2.gz FPVHQSUJEQRZKO-CQSZACIVSA-N 1 0 353.304 3.318 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000770505323 723715291 /nfs/dbraw/zinc/71/52/91/723715291.db2.gz PAKWCDQWRSFGOS-HNNXBMFYSA-N 1 0 358.869 3.321 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000770505325 723715346 /nfs/dbraw/zinc/71/53/46/723715346.db2.gz PAKWCDQWRSFGOS-OAHLLOKOSA-N 1 0 358.869 3.321 20 10 FGCDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1N(C)C ZINC000772995861 723774244 /nfs/dbraw/zinc/77/42/44/723774244.db2.gz FNUHNWZFDGAKFW-HNNXBMFYSA-N 1 0 361.511 3.283 20 10 FGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773045310 723775234 /nfs/dbraw/zinc/77/52/34/723775234.db2.gz QNWQCHFFCSNDTP-BEFAXECRSA-N 1 0 350.478 3.254 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000797140928 723786283 /nfs/dbraw/zinc/78/62/83/723786283.db2.gz OSIYMDREVXLTRF-FRRDWIJNSA-N 1 0 362.499 3.428 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000775521530 723997801 /nfs/dbraw/zinc/99/78/01/723997801.db2.gz YFKSMMDISFKSCP-RYUDHWBXSA-N 1 0 350.768 3.250 20 10 FGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000775555068 723999796 /nfs/dbraw/zinc/99/97/96/723999796.db2.gz IEENIDWIPHEFJA-IIAWOOMASA-N 1 0 358.276 3.389 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CC2(O)Cc3ccccc3C2)c1O ZINC000776213134 724119540 /nfs/dbraw/zinc/11/95/40/724119540.db2.gz QNKBNMVAUPGZFS-UHFFFAOYSA-N 1 0 362.267 3.083 20 10 FGCDRO NC(=O)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1ccccc1Cl ZINC000776938697 724197817 /nfs/dbraw/zinc/19/78/17/724197817.db2.gz OSPYAFNADXWVGG-ZDUSSCGKSA-N 1 0 353.249 3.133 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NCC[NH+]3CCC3)cc2Cl)C1 ZINC000800718540 724223778 /nfs/dbraw/zinc/22/37/78/724223778.db2.gz AQTSXDWXWBQMKV-HNNXBMFYSA-N 1 0 364.921 3.081 20 10 FGCDRO CCN(CC(=O)NCc1cc(OC)ccc1O)Cc1ccccc1Cl ZINC000806858276 725146349 /nfs/dbraw/zinc/14/63/49/725146349.db2.gz HSYDFPUTGNSCTH-UHFFFAOYSA-N 1 0 362.857 3.193 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000808423067 725200439 /nfs/dbraw/zinc/20/04/39/725200439.db2.gz QQDOFGIGDHDSMN-OAHLLOKOSA-N 1 0 357.420 3.176 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000808705969 725214371 /nfs/dbraw/zinc/21/43/71/725214371.db2.gz VUPWGGFLJPFDLM-CABZTGNLSA-N 1 0 350.768 3.168 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000809696781 725259679 /nfs/dbraw/zinc/25/96/79/725259679.db2.gz QSMAIMLVEVDNSR-KRWDZBQOSA-N 1 0 358.404 3.460 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000809724327 725262794 /nfs/dbraw/zinc/26/27/94/725262794.db2.gz IBGLVYCREIHZTE-DOMZBBRYSA-N 1 0 369.303 3.222 20 10 FGCDRO Cc1cc(Br)c(O)c(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000809737159 725264035 /nfs/dbraw/zinc/26/40/35/725264035.db2.gz DGGBXBLXZZSZKL-OAHLLOKOSA-N 1 0 371.319 3.006 20 10 FGCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000809779354 725268110 /nfs/dbraw/zinc/26/81/10/725268110.db2.gz KQXFBIAFTJGSJN-AWEZNQCLSA-N 1 0 371.275 3.174 20 10 FGCDRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000810144988 725292512 /nfs/dbraw/zinc/29/25/12/725292512.db2.gz OFZHZKCESPPZQY-LPHOPBHVSA-N 1 0 362.539 3.003 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810225418 725297947 /nfs/dbraw/zinc/29/79/47/725297947.db2.gz CYHABFJPCJZQGY-GXFFZTMASA-N 1 0 353.406 3.275 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810241371 725299047 /nfs/dbraw/zinc/29/90/47/725299047.db2.gz SDWZHKNZWGJSIG-GWCFXTLKSA-N 1 0 365.417 3.417 20 10 FGCDRO CCc1nc(CN2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)cs1 ZINC000815065746 727030187 /nfs/dbraw/zinc/03/01/87/727030187.db2.gz MTFHAJLSQWEDFQ-UHFFFAOYSA-N 1 0 358.555 3.398 20 10 FGCDRO CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815559402 727084019 /nfs/dbraw/zinc/08/40/19/727084019.db2.gz FZCJGGLNMSKOSR-KGLIPLIRSA-N 1 0 359.436 3.088 20 10 FGCDRO O=S(=O)(CCC[NH2+]Cc1cc(F)ccc1O)c1ccc(Cl)cc1 ZINC000816668428 727188102 /nfs/dbraw/zinc/18/81/02/727188102.db2.gz NSQVZGZYVNDTFA-UHFFFAOYSA-N 1 0 357.834 3.138 20 10 FGCDRO CSc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000818984851 727334588 /nfs/dbraw/zinc/33/45/88/727334588.db2.gz IMAZILMBEKJUOR-OAHLLOKOSA-N 1 0 364.486 3.143 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC[C@@H](O)C[N@H+](C)C3CC3)cc2Cl)C1 ZINC000819289605 727364791 /nfs/dbraw/zinc/36/47/91/727364791.db2.gz FTLFKGZOGVJGCV-MAUKXSAKSA-N 1 0 365.949 3.121 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000823596805 729291389 /nfs/dbraw/zinc/29/13/89/729291389.db2.gz VUBOKFDODBVTQM-UHFFFAOYSA-N 1 0 357.523 3.487 20 10 FGCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823653915 729296237 /nfs/dbraw/zinc/29/62/37/729296237.db2.gz HOCGYUGBVMSELL-QGZVFWFLSA-N 1 0 359.539 3.195 20 10 FGCDRO Cc1cnc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000824037578 729317056 /nfs/dbraw/zinc/31/70/56/729317056.db2.gz UBUNXOOMDAQSRR-UHFFFAOYSA-N 1 0 356.539 3.273 20 10 FGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650381 729352866 /nfs/dbraw/zinc/35/28/66/729352866.db2.gz ONSNOZLHECVHJB-AWEZNQCLSA-N 1 0 369.303 3.283 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000824845956 729361787 /nfs/dbraw/zinc/36/17/87/729361787.db2.gz PNGCHRXYHZGMJX-HOTGVXAUSA-N 1 0 354.288 3.350 20 10 FGCDRO Cc1nsc(N2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000824883151 729363621 /nfs/dbraw/zinc/36/36/21/729363621.db2.gz GOWWPTRXMMJKHW-UHFFFAOYSA-N 1 0 352.891 3.226 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1cc(Br)ccc1F ZINC000825073169 729369979 /nfs/dbraw/zinc/36/99/79/729369979.db2.gz SBEGOVZUQHFFOQ-LBPRGKRZSA-N 1 0 368.246 3.235 20 10 FGCDRO COc1cc(Br)cc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1O ZINC000825332507 729379251 /nfs/dbraw/zinc/37/92/51/729379251.db2.gz ZHEWKTMCQCPWEL-AWEZNQCLSA-N 1 0 357.292 3.078 20 10 FGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825650989 729390332 /nfs/dbraw/zinc/39/03/32/729390332.db2.gz BSOXBHHMUCLKKT-MRXNPFEDSA-N 1 0 350.256 3.156 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000826902972 729418526 /nfs/dbraw/zinc/41/85/26/729418526.db2.gz NIBOFZUPRDNDOL-MAZHCROVSA-N 1 0 372.303 3.119 20 10 FGCDRO COc1cc(C[N@H+](CCOCCO)C2CCC2)c(O)c(C(C)(C)C)c1 ZINC000827204228 729426897 /nfs/dbraw/zinc/42/68/97/729426897.db2.gz PFKLFLIBVVDAPY-UHFFFAOYSA-N 1 0 351.487 3.062 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000827554750 729431670 /nfs/dbraw/zinc/43/16/70/729431670.db2.gz JTAJCDZCMQRNLP-LBPRGKRZSA-N 1 0 369.303 3.200 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)c1 ZINC000828667182 729446389 /nfs/dbraw/zinc/44/63/89/729446389.db2.gz NTXAJGLNAGCISW-IAQYHMDHSA-N 1 0 363.845 3.025 20 10 FGCDRO Cc1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829290499 729472189 /nfs/dbraw/zinc/47/21/89/729472189.db2.gz BAYAHURJBLSUBA-LJQANCHMSA-N 1 0 364.555 3.384 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2sccc2Br)cc1 ZINC000832272260 729701203 /nfs/dbraw/zinc/70/12/03/729701203.db2.gz DDNJQKHZQURQIW-ZDUSSCGKSA-N 1 0 368.300 3.006 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2csc3ccccc23)cc1 ZINC000832272293 729701252 /nfs/dbraw/zinc/70/12/52/729701252.db2.gz DUNPJMVPTBSFEC-SFHVURJKSA-N 1 0 353.491 3.326 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cc(Cl)ccc2Cl)cc1 ZINC000832282058 729701849 /nfs/dbraw/zinc/70/18/49/729701849.db2.gz XRGQMDKJWVYRHB-KRWDZBQOSA-N 1 0 366.292 3.418 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc(Br)c2)cc1 ZINC000832293214 729703023 /nfs/dbraw/zinc/70/30/23/729703023.db2.gz RKBLTHCBUKMZQN-ZDUSSCGKSA-N 1 0 368.300 3.006 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000834798451 729834746 /nfs/dbraw/zinc/83/47/46/729834746.db2.gz GIGCYQWHIIJXLH-MDZLAQPJSA-N 1 0 360.483 3.046 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835051773 729853272 /nfs/dbraw/zinc/85/32/72/729853272.db2.gz IJUCOZNQYSUBND-WAYWQWQTSA-N 1 0 364.536 3.411 20 10 FGCDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1O ZINC000835078175 729856978 /nfs/dbraw/zinc/85/69/78/729856978.db2.gz MYHLXUULMXGLMN-UHFFFAOYSA-N 1 0 359.264 3.111 20 10 FGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000841042863 730205708 /nfs/dbraw/zinc/20/57/08/730205708.db2.gz MGANBLKVBZZJFE-KRWDZBQOSA-N 1 0 353.388 3.441 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2nc3cc(Cl)ccc3n2C)cc1 ZINC000841046010 730206059 /nfs/dbraw/zinc/20/60/59/730206059.db2.gz UKNGFNMJQYHUQF-MRXNPFEDSA-N 1 0 357.889 3.082 20 10 FGCDRO Cc1cc(Br)c(O)c(CNc2ccc(OCC[NH3+])cc2)c1 ZINC000841054805 730206613 /nfs/dbraw/zinc/20/66/13/730206613.db2.gz NEKQGTFMYMGHBI-UHFFFAOYSA-N 1 0 351.244 3.413 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841746229 730270160 /nfs/dbraw/zinc/27/01/60/730270160.db2.gz WKLDQVADLOEHSQ-CYBMUJFWSA-N 1 0 362.857 3.411 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1O ZINC000841757655 730271355 /nfs/dbraw/zinc/27/13/55/730271355.db2.gz OGXFGKJRAOECGV-TZMCWYRMSA-N 1 0 370.877 3.332 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)cc2Cl)C1 ZINC000841895399 730283942 /nfs/dbraw/zinc/28/39/42/730283942.db2.gz BKMRPVMZJBLEFK-ZBFHGGJFSA-N 1 0 364.921 3.128 20 10 FGCDRO C[NH+](C)C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000841957752 730285692 /nfs/dbraw/zinc/28/56/92/730285692.db2.gz DAZRQDAPEDWSMW-GOSISDBHSA-N 1 0 360.889 3.067 20 10 FGCDRO C[NH+](C)C[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000841957755 730285718 /nfs/dbraw/zinc/28/57/18/730285718.db2.gz DAZRQDAPEDWSMW-SFHVURJKSA-N 1 0 360.889 3.067 20 10 FGCDRO CCCC[C@@H](C[NH3+])NC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000841957860 730285736 /nfs/dbraw/zinc/28/57/36/730285736.db2.gz MNBJXQAEELYRRP-AWEZNQCLSA-N 1 0 372.307 3.204 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000843350049 730609481 /nfs/dbraw/zinc/60/94/81/730609481.db2.gz IQDPXZRJPKZPTF-IBGZPJMESA-N 1 0 355.869 3.357 20 10 FGCDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846215315 730937109 /nfs/dbraw/zinc/93/71/09/730937109.db2.gz PQHMFSGTXZFQJU-OXQOHEQNSA-N 1 0 350.478 3.398 20 10 FGCDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C3=CC(=O)CS3)C2)s1 ZINC000846653100 730970835 /nfs/dbraw/zinc/97/08/35/730970835.db2.gz ZUWRLCMYXCSQPC-ZDUSSCGKSA-N 1 0 350.509 3.418 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cccnc2OC)c1O ZINC000848517033 731174055 /nfs/dbraw/zinc/17/40/55/731174055.db2.gz ACBKKEMZSHOQRB-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848527037 731175669 /nfs/dbraw/zinc/17/56/69/731175669.db2.gz PNQBEHWKJREFFZ-MNOVXSKESA-N 1 0 373.291 3.119 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c1O ZINC000848527655 731175685 /nfs/dbraw/zinc/17/56/85/731175685.db2.gz FEGPQXRRCYKWAT-COPLHBTASA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1O ZINC000848532503 731176282 /nfs/dbraw/zinc/17/62/82/731176282.db2.gz ISFAISSOKCFDIL-GMXVVIOVSA-N 1 0 369.303 3.439 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1O ZINC000848532509 731176286 /nfs/dbraw/zinc/17/62/86/731176286.db2.gz ISFAISSOKCFDIL-NTZNESFSSA-N 1 0 369.303 3.439 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cc(C)ncn2)c1O ZINC000848535669 731177529 /nfs/dbraw/zinc/17/75/29/731177529.db2.gz FRMYSMSXODICKY-SNVBAGLBSA-N 1 0 352.232 3.113 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](OC)C(F)(F)F)c1O ZINC000848540880 731178227 /nfs/dbraw/zinc/17/82/27/731178227.db2.gz JDCCQBQJHXVQFE-HQJQHLMTSA-N 1 0 372.181 3.391 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(C(F)(F)F)cc1O ZINC000848563583 731182202 /nfs/dbraw/zinc/18/22/02/731182202.db2.gz VJXDBGGNGGARMG-DGCLKSJQSA-N 1 0 354.376 3.138 20 10 FGCDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000848986874 731223546 /nfs/dbraw/zinc/22/35/46/731223546.db2.gz JEDDSPRENNEAJH-KGLIPLIRSA-N 1 0 352.910 3.225 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000850376812 731350020 /nfs/dbraw/zinc/35/00/20/731350020.db2.gz MLOWISNDLIBSSN-UHFFFAOYSA-N 1 0 352.544 3.370 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)c2c1c(F)ccc2O ZINC000850530790 731369709 /nfs/dbraw/zinc/36/97/09/731369709.db2.gz CNYZTEUBEHCTNA-JSGCOSHPSA-N 1 0 355.475 3.417 20 10 FGCDRO O=C(CC[NH2+]Cc1c(O)cccc1Br)NC1CCCCC1 ZINC000858104164 732180838 /nfs/dbraw/zinc/18/08/38/732180838.db2.gz ALRMTRKOKVXESC-UHFFFAOYSA-N 1 0 355.276 3.083 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000858151157 732186479 /nfs/dbraw/zinc/18/64/79/732186479.db2.gz WAPZPUSFEVMZJI-ABAIWWIYSA-N 1 0 358.301 3.299 20 10 FGCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1c(O)cccc1Br ZINC000858192207 732191050 /nfs/dbraw/zinc/19/10/50/732191050.db2.gz GTGWNZUKYWPXCW-UHFFFAOYSA-N 1 0 350.260 3.446 20 10 FGCDRO Oc1cccc(Br)c1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000858196916 732191664 /nfs/dbraw/zinc/19/16/64/732191664.db2.gz YTTBTZYSBYTFSG-CQSZACIVSA-N 1 0 353.304 3.366 20 10 FGCDRO Cc1noc(C2CC[NH+](Cc3c(O)cccc3Br)CC2)n1 ZINC000862227031 732790084 /nfs/dbraw/zinc/79/00/84/732790084.db2.gz HYZMZKRIUPYDKX-UHFFFAOYSA-N 1 0 352.232 3.226 20 10 FGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237907 732793973 /nfs/dbraw/zinc/79/39/73/732793973.db2.gz YPMZJHNFYJDYEI-ZDUSSCGKSA-N 1 0 369.303 3.283 20 10 FGCDRO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000862278453 732803230 /nfs/dbraw/zinc/80/32/30/732803230.db2.gz DFMYVWAATBEFER-RBUKOAKNSA-N 1 0 364.555 3.227 20 10 FGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541134 732847424 /nfs/dbraw/zinc/84/74/24/732847424.db2.gz MRWSSMIRMUGGKB-NSHDSACASA-N 1 0 358.866 3.399 20 10 FGCDRO CSc1cccc(-n2c(C)cc(C(=O)Cn3ccnc3C[NH3+])c2C)c1 ZINC000864619390 733082746 /nfs/dbraw/zinc/08/27/46/733082746.db2.gz MAEVXWHSAWODCK-UHFFFAOYSA-N 1 0 354.479 3.354 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cc2F)C[C@@H](C)O1 ZINC000872024482 735577714 /nfs/dbraw/zinc/57/77/14/735577714.db2.gz AYCCACQWTQLZSV-INMHGKMJSA-N 1 0 350.478 3.487 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000872112892 735590509 /nfs/dbraw/zinc/59/05/09/735590509.db2.gz LPPREFAYJVCDIY-WDEREUQCSA-N 1 0 372.259 3.157 20 10 FGCDRO COc1ncc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000876946960 736166487 /nfs/dbraw/zinc/16/64/87/736166487.db2.gz YFIAHXYETYCPKN-STQMWFEESA-N 1 0 365.474 3.194 20 10 FGCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000876963674 736168403 /nfs/dbraw/zinc/16/84/03/736168403.db2.gz HYSYFZRKXJGOIS-GYCJOSAFSA-N 1 0 354.431 3.336 20 10 FGCDRO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000877135164 736191848 /nfs/dbraw/zinc/19/18/48/736191848.db2.gz RQCDAGSWUHXBJB-FQEVSTJZSA-N 1 0 360.885 3.124 20 10 FGCDRO COc1nsc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1Br ZINC000877533512 736679882 /nfs/dbraw/zinc/67/98/82/736679882.db2.gz PLYPWBZAZSWBGX-MRVPVSSYSA-N 1 0 373.272 3.479 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(Br)ccc1O ZINC000883276601 737545144 /nfs/dbraw/zinc/54/51/44/737545144.db2.gz NCZNIWVAOLFRLT-YPMHNXCESA-N 1 0 354.244 3.250 20 10 FGCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000883679165 737592322 /nfs/dbraw/zinc/59/23/22/737592322.db2.gz BIJIVGSJUCHVSY-HNNXBMFYSA-N 1 0 358.511 3.060 20 10 FGCDRO CN(C)c1ccc(CN(Cc2c3c(nn2C)CCSC3)C2CC2)cc1 ZINC000893928867 742214611 /nfs/dbraw/zinc/21/46/11/742214611.db2.gz GYQSPIYQCFFEHV-UHFFFAOYSA-N 1 0 356.539 3.440 20 10 FGCDRO CCc1cccc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c1O ZINC000898289940 742770247 /nfs/dbraw/zinc/77/02/47/742770247.db2.gz JNKKMXWBYXTVLV-UHFFFAOYSA-N 1 0 360.479 3.149 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(Br)cc1O ZINC000903197825 743821284 /nfs/dbraw/zinc/82/12/84/743821284.db2.gz AHAZHPMTUFLGEH-NSHDSACASA-N 1 0 350.260 3.467 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1O ZINC000903433824 743850333 /nfs/dbraw/zinc/85/03/33/743850333.db2.gz FRWYHCUDBDOZSX-GXSJLCMTSA-N 1 0 369.252 3.124 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(C)cc1O ZINC000903434675 743851063 /nfs/dbraw/zinc/85/10/63/743851063.db2.gz NURWSDYFBRBNSK-OCCSQVGLSA-N 1 0 362.861 3.169 20 10 FGCDRO CCN1C(=O)/C(=C/c2ccc(OCC[NH+]3CCCC3)cc2)SC1=S ZINC000914703213 757825048 /nfs/dbraw/zinc/82/50/48/757825048.db2.gz RPHJRMZYSDJHNF-SSZFMOIBSA-N 1 0 362.520 3.382 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1(Br)CC1 ZINC000924758813 759380333 /nfs/dbraw/zinc/38/03/33/759380333.db2.gz BNTFPOUUSPYTJJ-GFCCVEGCSA-N 1 0 371.294 3.192 20 10 FGCDRO Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc(F)c1N1CCOCC1 ZINC000926560305 759777656 /nfs/dbraw/zinc/77/76/56/759777656.db2.gz SLXMGENJDITBQA-GOOCMWNKSA-N 1 0 354.466 3.318 20 10 FGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779051461 724384623 /nfs/dbraw/zinc/38/46/23/724384623.db2.gz HVGPLUGFXAWDDR-AAEUAGOBSA-N 1 0 371.275 3.345 20 10 FGCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000081330185 493871912 /nfs/dbraw/zinc/87/19/12/493871912.db2.gz SLPCWXAAJJAJFK-GOSISDBHSA-N 1 0 354.498 3.293 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000089618951 494332127 /nfs/dbraw/zinc/33/21/27/494332127.db2.gz FHVHHHUECBMPDM-RHSMWYFYSA-N 1 0 369.431 3.491 20 10 FGCDRO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)cc1 ZINC000091977176 494740327 /nfs/dbraw/zinc/74/03/27/494740327.db2.gz DXHWGZPPCPMVCO-KRWDZBQOSA-N 1 0 356.422 3.013 20 10 FGCDRO CC(C)[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CC[NH+](C)CC1 ZINC000132332260 494857639 /nfs/dbraw/zinc/85/76/39/494857639.db2.gz LRJYUSRVBQNTAR-INIZCTEOSA-N 1 0 360.329 3.061 20 10 FGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000132477285 494880969 /nfs/dbraw/zinc/88/09/69/494880969.db2.gz QMMVIWZDTWZTOK-UHFFFAOYSA-N 1 0 372.440 3.081 20 10 FGCDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000093400377 494886585 /nfs/dbraw/zinc/88/65/85/494886585.db2.gz RTDTUXPJQWYDET-MRXNPFEDSA-N 1 0 365.481 3.034 20 10 FGCDRO O=C1CCCCN1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093741421 494916179 /nfs/dbraw/zinc/91/61/79/494916179.db2.gz ZSDMRKJXENMBLM-UHFFFAOYSA-N 1 0 367.287 3.132 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCC([C@@H](O)c3ccc(F)cc3)CC1)OCO2 ZINC000118962666 495059080 /nfs/dbraw/zinc/05/90/80/495059080.db2.gz UECOUYNQIOMJQL-FQEVSTJZSA-N 1 0 359.397 3.206 20 10 FGCDRO O=C(CC(F)(F)F)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129958080 495320194 /nfs/dbraw/zinc/32/01/94/495320194.db2.gz SWNKHZKLYFVMDQ-GFCCVEGCSA-N 1 0 350.768 3.079 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000105320239 495355818 /nfs/dbraw/zinc/35/58/18/495355818.db2.gz PFVRUVJGXZYGDL-SFHVURJKSA-N 1 0 352.482 3.190 20 10 FGCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000125390862 495436656 /nfs/dbraw/zinc/43/66/56/495436656.db2.gz HDRIRTSGNVOXHA-QVKFZJNVSA-N 1 0 374.456 3.055 20 10 FGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])CN1CC[NH+](C)CC1 ZINC000185344550 495539786 /nfs/dbraw/zinc/53/97/86/495539786.db2.gz QQASHFSVYRCMAL-OLZOCXBDSA-N 1 0 360.329 3.233 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000158607056 495549449 /nfs/dbraw/zinc/54/94/49/495549449.db2.gz ADEYETBORYTHHA-LSDHHAIUSA-N 1 0 363.479 3.222 20 10 FGCDRO COc1cc(O)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1OC ZINC000179442655 495592684 /nfs/dbraw/zinc/59/26/84/495592684.db2.gz WZDHITJJSIXPER-UHFFFAOYSA-N 1 0 361.413 3.344 20 10 FGCDRO COc1cccc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1O ZINC000173752545 495677129 /nfs/dbraw/zinc/67/71/29/495677129.db2.gz PWFAHLLMTZONPL-UHFFFAOYSA-N 1 0 371.481 3.240 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000183146393 495853808 /nfs/dbraw/zinc/85/38/08/495853808.db2.gz FRZIDMIDQGEBOX-MZNJEOGPSA-N 1 0 365.882 3.458 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000151591946 495888141 /nfs/dbraw/zinc/88/81/41/495888141.db2.gz WOSIQQXHSMEEHU-INIZCTEOSA-N 1 0 368.477 3.475 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000152063133 496036498 /nfs/dbraw/zinc/03/64/98/496036498.db2.gz WNVBOTADIQATBS-CQSZACIVSA-N 1 0 358.413 3.242 20 10 FGCDRO C[NH+]1CCC(Nc2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180741092 496126090 /nfs/dbraw/zinc/12/60/90/496126090.db2.gz QBAQVKGRUBARBY-VQHVLOKHSA-N 1 0 367.449 3.256 20 10 FGCDRO COCc1cccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000174912048 496161881 /nfs/dbraw/zinc/16/18/81/496161881.db2.gz AGMAYPVFJXDFLX-WJDWOHSUSA-N 1 0 362.520 3.128 20 10 FGCDRO COc1cccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1O ZINC000181124744 496279685 /nfs/dbraw/zinc/27/96/85/496279685.db2.gz XXSLLBLBVUBKCR-UHFFFAOYSA-N 1 0 355.360 3.453 20 10 FGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187307611 496386126 /nfs/dbraw/zinc/38/61/26/496386126.db2.gz FYONBAULTKPBQZ-WCQYABFASA-N 1 0 355.276 3.125 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178656368 496530732 /nfs/dbraw/zinc/53/07/32/496530732.db2.gz UTHBVAPIQDGCDK-PXNSSMCTSA-N 1 0 372.484 3.479 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157716884 496536777 /nfs/dbraw/zinc/53/67/77/496536777.db2.gz KTNDNJPNRSOSDB-VLIAUNLRSA-N 1 0 362.420 3.186 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000184909454 496581868 /nfs/dbraw/zinc/58/18/68/496581868.db2.gz RVLNVTHGZTXLFG-YJBOKZPZSA-N 1 0 360.454 3.026 20 10 FGCDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Br)ccc1O ZINC000185206215 496702867 /nfs/dbraw/zinc/70/28/67/496702867.db2.gz WJOTURGEYVWIMQ-AWEZNQCLSA-N 1 0 355.276 3.208 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000185263105 496720503 /nfs/dbraw/zinc/72/05/03/496720503.db2.gz MRSJTGMMXXBMDV-LBPRGKRZSA-N 1 0 353.871 3.441 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000273429325 496803736 /nfs/dbraw/zinc/80/37/36/496803736.db2.gz VFTKDJQEOMZMNF-MRXNPFEDSA-N 1 0 354.450 3.024 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000273431149 496804265 /nfs/dbraw/zinc/80/42/65/496804265.db2.gz VSKWJLIPKYHAKY-CYBMUJFWSA-N 1 0 362.857 3.411 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccoc3Cl)cc2F)CC1 ZINC000192307047 497069713 /nfs/dbraw/zinc/06/97/13/497069713.db2.gz YPFCQKAHACMNHQ-UHFFFAOYSA-N 1 0 365.836 3.144 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000278460727 497122064 /nfs/dbraw/zinc/12/20/64/497122064.db2.gz XRWFCXQGQZDTNR-CYBMUJFWSA-N 1 0 360.445 3.385 20 10 FGCDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000192953879 497257510 /nfs/dbraw/zinc/25/75/10/497257510.db2.gz QUOAVKGRNOAZCL-AWEZNQCLSA-N 1 0 362.495 3.010 20 10 FGCDRO COc1cccc(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c1O ZINC000190302888 497430123 /nfs/dbraw/zinc/43/01/23/497430123.db2.gz CTUVILDZWBGDBT-UHFFFAOYSA-N 1 0 358.829 3.233 20 10 FGCDRO CCOCc1cc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)ccc1OC ZINC000275804537 497435721 /nfs/dbraw/zinc/43/57/21/497435721.db2.gz DIVODSLAPDXMPH-UHFFFAOYSA-N 1 0 358.486 3.022 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000272646230 497689589 /nfs/dbraw/zinc/68/95/89/497689589.db2.gz PAGHTWQVKRZXAP-ZIAGYGMSSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277112464 497745131 /nfs/dbraw/zinc/74/51/31/497745131.db2.gz MRIUYYSYNDMNGD-NSHDSACASA-N 1 0 369.870 3.309 20 10 FGCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000273132101 497802200 /nfs/dbraw/zinc/80/22/00/497802200.db2.gz BWOFFEQRJJRPPJ-INIZCTEOSA-N 1 0 368.477 3.057 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000295877471 497839208 /nfs/dbraw/zinc/83/92/08/497839208.db2.gz HMJXRYFDMOWRHR-FQEVSTJZSA-N 1 0 352.478 3.378 20 10 FGCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000289237360 498071497 /nfs/dbraw/zinc/07/14/97/498071497.db2.gz KVDRKBKRFNAKRH-UHFFFAOYSA-N 1 0 353.510 3.321 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000281267277 498081356 /nfs/dbraw/zinc/08/13/56/498081356.db2.gz WUGMPPMGQDYTPI-DGCLKSJQSA-N 1 0 355.276 3.064 20 10 FGCDRO COc1cc(O)c(CN(CC[NH+](C)C)Cc2cccs2)cc1OC ZINC000289413274 498136705 /nfs/dbraw/zinc/13/67/05/498136705.db2.gz IDILZFQOSGIKKB-UHFFFAOYSA-N 1 0 350.484 3.035 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000297022641 498290010 /nfs/dbraw/zinc/29/00/10/498290010.db2.gz XDIWQKBXUXNRRC-UHFFFAOYSA-N 1 0 360.523 3.358 20 10 FGCDRO C[S@](=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC000281927047 498322028 /nfs/dbraw/zinc/32/20/28/498322028.db2.gz ZMPRSZJOCCMUBX-VWLOTQADSA-N 1 0 359.491 3.362 20 10 FGCDRO COCC1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCOCC1 ZINC000293315208 498342620 /nfs/dbraw/zinc/34/26/20/498342620.db2.gz FGTXDUVGDOYKAA-GFCCVEGCSA-N 1 0 358.276 3.249 20 10 FGCDRO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1O ZINC000362014872 498454855 /nfs/dbraw/zinc/45/48/55/498454855.db2.gz VFLKDIJFTLNZKF-UHFFFAOYSA-N 1 0 373.449 3.027 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c1 ZINC000362333045 498498639 /nfs/dbraw/zinc/49/86/39/498498639.db2.gz BJXZXNAUKSGFJL-UHFFFAOYSA-N 1 0 355.438 3.037 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000290308980 498503648 /nfs/dbraw/zinc/50/36/48/498503648.db2.gz ZOGOMWDSJHBSEV-UTKZUKDTSA-N 1 0 359.466 3.444 20 10 FGCDRO CN1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000362866934 498569540 /nfs/dbraw/zinc/56/95/40/498569540.db2.gz WCOXMKTYDIZQJI-AWEZNQCLSA-N 1 0 357.420 3.095 20 10 FGCDRO O=C(c1cccc(O)c1O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000365702178 498604058 /nfs/dbraw/zinc/60/40/58/498604058.db2.gz LMMOGBVTGCPUMD-QFIPXVFZSA-N 1 0 366.461 3.226 20 10 FGCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1O ZINC000291071456 498782725 /nfs/dbraw/zinc/78/27/25/498782725.db2.gz LTRXPHVYFUCANK-AWEZNQCLSA-N 1 0 355.438 3.171 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)Nc3cccnc3OC)CC2)cc1 ZINC000363452912 498828885 /nfs/dbraw/zinc/82/88/85/498828885.db2.gz NVMZDGABMKNLPM-UHFFFAOYSA-N 1 0 370.453 3.232 20 10 FGCDRO COc1c(O)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000294915689 498849106 /nfs/dbraw/zinc/84/91/06/498849106.db2.gz YIBKNNDENUXHLN-UHFFFAOYSA-N 1 0 357.288 3.013 20 10 FGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccc(Cl)cc1)cc2=O ZINC000298694322 498851828 /nfs/dbraw/zinc/85/18/28/498851828.db2.gz DSQPLPDDYIPFSG-NSHDSACASA-N 1 0 374.828 3.116 20 10 FGCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366344238 498883185 /nfs/dbraw/zinc/88/31/85/498883185.db2.gz FJYSIYLNMIISCA-LRDDRELGSA-N 1 0 373.419 3.044 20 10 FGCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366344450 498883403 /nfs/dbraw/zinc/88/34/03/498883403.db2.gz FJYSIYLNMIISCA-WBMJQRKESA-N 1 0 373.419 3.044 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c(O)c1 ZINC000283884525 499005999 /nfs/dbraw/zinc/00/59/99/499005999.db2.gz CGQKEJHCNHGOAW-IRXDYDNUSA-N 1 0 355.482 3.480 20 10 FGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C2 ZINC000363866020 499031169 /nfs/dbraw/zinc/03/11/69/499031169.db2.gz OAQNPSVFAISBFI-QMTHXVAHSA-N 1 0 362.271 3.461 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2Cn2nc(C)nc2C)c1O ZINC000363911568 499050303 /nfs/dbraw/zinc/05/03/03/499050303.db2.gz UQHDBDNGMXLQNM-MRXNPFEDSA-N 1 0 364.877 3.317 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc[nH]c3C3CC3)cc2F)CC1 ZINC000284115068 499050933 /nfs/dbraw/zinc/05/09/33/499050933.db2.gz VDYNZYWXLMGUCB-UHFFFAOYSA-N 1 0 370.472 3.103 20 10 FGCDRO COC1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCC4)[C@H]3C)cc2)CC1 ZINC000295724570 499088719 /nfs/dbraw/zinc/08/87/19/499088719.db2.gz HIICHLHZOWCJPF-XMSQKQJNSA-N 1 0 357.542 3.360 20 10 FGCDRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000370499051 499226209 /nfs/dbraw/zinc/22/62/09/499226209.db2.gz KJGAWBHRXNCYMI-KRWDZBQOSA-N 1 0 354.450 3.225 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(N(C)C)cc1 ZINC000370669601 499242331 /nfs/dbraw/zinc/24/23/31/499242331.db2.gz NSUVKZNPRHLGDY-UYAOXDASSA-N 1 0 352.482 3.103 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3cn(CCOC)nc32)c(O)c1 ZINC000368084052 499262366 /nfs/dbraw/zinc/26/23/66/499262366.db2.gz CESAFWFWEQATNA-GOSISDBHSA-N 1 0 359.470 3.191 20 10 FGCDRO Fc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368292388 499282684 /nfs/dbraw/zinc/28/26/84/499282684.db2.gz UJHKLNNRLAZBIH-IBGZPJMESA-N 1 0 369.484 3.278 20 10 FGCDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C2 ZINC000368314604 499284653 /nfs/dbraw/zinc/28/46/53/499284653.db2.gz FEPCLGYGOMNXST-AAEUAGOBSA-N 1 0 350.260 3.325 20 10 FGCDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C2 ZINC000368314607 499284721 /nfs/dbraw/zinc/28/47/21/499284721.db2.gz FEPCLGYGOMNXST-YPMHNXCESA-N 1 0 350.260 3.325 20 10 FGCDRO Cc1csc(NC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000368707831 499323966 /nfs/dbraw/zinc/32/39/66/499323966.db2.gz PQWLOCIDJYKGRW-UHFFFAOYSA-N 1 0 372.538 3.365 20 10 FGCDRO CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000371485141 499332854 /nfs/dbraw/zinc/33/28/54/499332854.db2.gz KSOVMMDOOHZQKS-OXQOHEQNSA-N 1 0 354.498 3.468 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCOc3ccccc3C2)c(O)c1 ZINC000371870793 499373760 /nfs/dbraw/zinc/37/37/60/499373760.db2.gz UAXLIWWBOITLRQ-MRXNPFEDSA-N 1 0 354.450 3.163 20 10 FGCDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000372414857 499432094 /nfs/dbraw/zinc/43/20/94/499432094.db2.gz DJPAXBRJXWPGAK-HNNXBMFYSA-N 1 0 354.450 3.082 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)c1O ZINC000373259117 499460180 /nfs/dbraw/zinc/46/01/80/499460180.db2.gz HUDUESWXFPBSEA-UHFFFAOYSA-N 1 0 353.369 3.491 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000378206925 499490349 /nfs/dbraw/zinc/49/03/49/499490349.db2.gz BKFFPDIPLZFVRN-QGZVFWFLSA-N 1 0 373.541 3.148 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(O)c1 ZINC000375300285 499504396 /nfs/dbraw/zinc/50/43/96/499504396.db2.gz YMQYLRKAKBRKAC-OAQYLSRUSA-N 1 0 352.434 3.277 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000378382198 499509781 /nfs/dbraw/zinc/50/97/81/499509781.db2.gz YJGWFNDOCKVKEJ-HKUYNNGSSA-N 1 0 359.470 3.003 20 10 FGCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000376678642 499628348 /nfs/dbraw/zinc/62/83/48/499628348.db2.gz IRQULDULNDZKER-PMACEKPBSA-N 1 0 370.497 3.000 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)c3ccc(F)cc3)CC2)cc1 ZINC000377141316 499665741 /nfs/dbraw/zinc/66/57/41/499665741.db2.gz IJLQZTYAGWGOTN-OAQYLSRUSA-N 1 0 358.457 3.300 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000377251339 499673889 /nfs/dbraw/zinc/67/38/89/499673889.db2.gz QCXSXDATJIWVRC-CYBMUJFWSA-N 1 0 370.287 3.412 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000377668953 499717554 /nfs/dbraw/zinc/71/75/54/499717554.db2.gz GIWNCNRWACICMP-DLBZAZTESA-N 1 0 365.433 3.028 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000377886714 499745416 /nfs/dbraw/zinc/74/54/16/499745416.db2.gz AGLCRHSQKUIPJJ-GFCCVEGCSA-N 1 0 350.260 3.186 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)ccc21 ZINC000607689957 506227277 /nfs/dbraw/zinc/22/72/77/506227277.db2.gz USAIYWOLXFRVDG-KDOFPFPSSA-N 1 0 357.498 3.117 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000435614509 501002698 /nfs/dbraw/zinc/00/26/98/501002698.db2.gz FDTCPSBJENHOTJ-DLBZAZTESA-N 1 0 369.509 3.044 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccc[nH]2)C1 ZINC000435819292 501033256 /nfs/dbraw/zinc/03/32/56/501033256.db2.gz WLJRMUPLCFETOI-UHFFFAOYSA-N 1 0 364.493 3.395 20 10 FGCDRO CO[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)C ZINC000435821086 501034206 /nfs/dbraw/zinc/03/42/06/501034206.db2.gz ZWYAOKOPOIZQKC-NRFANRHFSA-N 1 0 371.525 3.195 20 10 FGCDRO CS[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435905768 501044783 /nfs/dbraw/zinc/04/47/83/501044783.db2.gz GQNBROAXWZIVDW-OAHLLOKOSA-N 1 0 359.539 3.276 20 10 FGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779051464 724384823 /nfs/dbraw/zinc/38/48/23/724384823.db2.gz HVGPLUGFXAWDDR-WCQYABFASA-N 1 0 371.275 3.345 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000472229124 502276872 /nfs/dbraw/zinc/27/68/72/502276872.db2.gz KATMPDPTIRVJRT-WMZOPIPTSA-N 1 0 354.498 3.112 20 10 FGCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)c(O)c1 ZINC000527588723 503844950 /nfs/dbraw/zinc/84/49/50/503844950.db2.gz SPRPCISNOUAMIG-UHFFFAOYSA-N 1 0 372.465 3.395 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(Br)cc1O ZINC000528016358 504041571 /nfs/dbraw/zinc/04/15/71/504041571.db2.gz SHZFNSZJODSBQP-GFCCVEGCSA-N 1 0 369.303 3.454 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccncc2F)C1 ZINC000562437640 504820792 /nfs/dbraw/zinc/82/07/92/504820792.db2.gz ZRXNDNDGSNCQAJ-UHFFFAOYSA-N 1 0 366.440 3.003 20 10 FGCDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)o1 ZINC000608250348 506475016 /nfs/dbraw/zinc/47/50/16/506475016.db2.gz KZAYSPQKTUNANX-UHFFFAOYSA-N 1 0 357.454 3.227 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736532059 599099818 /nfs/dbraw/zinc/09/98/18/599099818.db2.gz QCZNYDBIABJJKJ-UHFFFAOYSA-N 1 0 350.470 3.345 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000736281210 598511182 /nfs/dbraw/zinc/51/11/82/598511182.db2.gz TZBYAZIDOLHPAF-UHFFFAOYSA-N 1 0 362.481 3.393 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N(C)C)cc1 ZINC000820926373 607057696 /nfs/dbraw/zinc/05/76/96/607057696.db2.gz SHSRTLRKWZNYKB-SFHVURJKSA-N 1 0 354.433 3.313 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616898 609332009 /nfs/dbraw/zinc/33/20/09/609332009.db2.gz AOMZURZAQZCRQD-ZDUSSCGKSA-N 1 0 366.444 3.239 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)CCc2nccs2)c1O ZINC000093843773 700455457 /nfs/dbraw/zinc/45/54/57/700455457.db2.gz BDWSRWFHTDEALH-UHFFFAOYSA-N 1 0 357.273 3.294 20 10 FGCDRO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235324 700546921 /nfs/dbraw/zinc/54/69/21/700546921.db2.gz DQGCLEPEPSPTQC-UHFFFAOYSA-N 1 0 350.821 3.275 20 10 FGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000132226649 700825368 /nfs/dbraw/zinc/82/53/68/700825368.db2.gz WFTFXLHDGISMLI-LBPRGKRZSA-N 1 0 371.553 3.348 20 10 FGCDRO CCCC[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000153000405 704981666 /nfs/dbraw/zinc/98/16/66/704981666.db2.gz BTLGQIDXRQQZAB-UHFFFAOYSA-N 1 0 356.561 3.189 20 10 FGCDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCCSc1nccs1 ZINC000154571379 705039848 /nfs/dbraw/zinc/03/98/48/705039848.db2.gz RVLVNPAFRDPHCI-AWEZNQCLSA-N 1 0 356.561 3.141 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000160578419 705256989 /nfs/dbraw/zinc/25/69/89/705256989.db2.gz DMBBIACCWLKVRU-CQSZACIVSA-N 1 0 357.420 3.396 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000182360507 705837318 /nfs/dbraw/zinc/83/73/18/705837318.db2.gz XLPPPLVVRVJSET-NSHDSACASA-N 1 0 371.405 3.248 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000182909895 705868474 /nfs/dbraw/zinc/86/84/74/705868474.db2.gz HVDUHVQEGTUNAY-WOJBJXKFSA-N 1 0 364.555 3.368 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCSCC3)CCCC2)c1 ZINC000185009115 712681578 /nfs/dbraw/zinc/68/15/78/712681578.db2.gz CFJZDJPERNPUHL-OAHLLOKOSA-N 1 0 350.528 3.413 20 10 FGCDRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccccc1O ZINC000237473603 713592029 /nfs/dbraw/zinc/59/20/29/713592029.db2.gz COMRVAQXHVJMAQ-DZGCQCFKSA-N 1 0 350.459 3.242 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@@H](C)C1 ZINC000248493077 713651642 /nfs/dbraw/zinc/65/16/42/713651642.db2.gz JUDBJQKFGAVJOQ-FCEWJHQRSA-N 1 0 350.503 3.188 20 10 FGCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2c(O)cccc2Cl)cc(OC)c1 ZINC000747622805 722653139 /nfs/dbraw/zinc/65/31/39/722653139.db2.gz YQOFMJHHFUGOIN-AWEZNQCLSA-N 1 0 365.857 3.004 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC000700731149 722409775 /nfs/dbraw/zinc/40/97/75/722409775.db2.gz ZCWDNHDPNVWWKZ-HEHGZKQESA-N 1 0 350.459 3.449 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706855693 722412149 /nfs/dbraw/zinc/41/21/49/722412149.db2.gz LUVDDVDCSCHTGT-NSHDSACASA-N 1 0 371.275 3.254 20 10 FGCDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c(O)c1 ZINC000725848805 722424751 /nfs/dbraw/zinc/42/47/51/722424751.db2.gz JHHVNZSKDJEKJU-UHFFFAOYSA-N 1 0 369.870 3.008 20 10 FGCDRO CCN(CC)c1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727079177 722441062 /nfs/dbraw/zinc/44/10/62/722441062.db2.gz WKMBPZCVQOCBHR-UHFFFAOYSA-N 1 0 350.576 3.085 20 10 FGCDRO CCCCSCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730193778 722465973 /nfs/dbraw/zinc/46/59/73/722465973.db2.gz ABAJJRGBTUXDGC-UHFFFAOYSA-N 1 0 367.534 3.117 20 10 FGCDRO COCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000731473846 722475742 /nfs/dbraw/zinc/47/57/42/722475742.db2.gz CXLRYQWOQZEEGJ-UHFFFAOYSA-N 1 0 363.889 3.056 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)cc1F ZINC000733327326 722495704 /nfs/dbraw/zinc/49/57/04/722495704.db2.gz SIZQLOBPZSZBGK-KRWDZBQOSA-N 1 0 356.363 3.431 20 10 FGCDRO CC[N@H+](CC(=O)N1CCC[C@H](C)C1)Cc1cc(Br)ccc1O ZINC000743873027 722572226 /nfs/dbraw/zinc/57/22/26/722572226.db2.gz GOQLYLUDBMHTCM-ZDUSSCGKSA-N 1 0 369.303 3.235 20 10 FGCDRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1=CC(=O)CS1 ZINC000753502109 722901852 /nfs/dbraw/zinc/90/18/52/722901852.db2.gz BLVQANMKRRHGJR-CGTJXYLNSA-N 1 0 356.491 3.484 20 10 FGCDRO C[C@H]([NH2+]CCc1nnc2ccccn21)c1cc(Br)ccc1O ZINC000756364003 722963407 /nfs/dbraw/zinc/96/34/07/722963407.db2.gz RDQPLTDFNVQZIK-NSHDSACASA-N 1 0 361.243 3.091 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756489972 722965480 /nfs/dbraw/zinc/96/54/80/722965480.db2.gz RHEBCAMQXABQGS-KPPDAEKUSA-N 1 0 373.266 3.249 20 10 FGCDRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)ccc1O ZINC000756569498 722966981 /nfs/dbraw/zinc/96/69/81/722966981.db2.gz PKDBGAONXLAWKA-VIFPVBQESA-N 1 0 355.198 3.299 20 10 FGCDRO C[C@@H]([NH2+]CCOc1ncccc1F)c1cc(Br)ccc1O ZINC000756761496 722969705 /nfs/dbraw/zinc/96/97/05/722969705.db2.gz QANYZQIADIYXSK-SNVBAGLBSA-N 1 0 355.207 3.418 20 10 FGCDRO COC1(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000790788170 723177778 /nfs/dbraw/zinc/17/77/78/723177778.db2.gz UAAQHDDQGQHHHL-INIZCTEOSA-N 1 0 366.889 3.085 20 10 FGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000790998835 723203693 /nfs/dbraw/zinc/20/36/93/723203693.db2.gz WNYLMUHXGOAKCO-HXUWFJFHSA-N 1 0 350.478 3.083 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000792964972 723387562 /nfs/dbraw/zinc/38/75/62/723387562.db2.gz ZKSXWTLKTLJVEQ-KRWDZBQOSA-N 1 0 352.400 3.465 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCc2cccc(C)n2)c1O ZINC000793203651 723410361 /nfs/dbraw/zinc/41/03/61/723410361.db2.gz XGBFJAJZUOWNFV-UHFFFAOYSA-N 1 0 351.244 3.199 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c1O ZINC000793599668 723452981 /nfs/dbraw/zinc/45/29/81/723452981.db2.gz IAEZYOQFWVKRIW-NSHDSACASA-N 1 0 358.866 3.447 20 10 FGCDRO CC(C)[C@H](C(=O)NCc1cccc(Br)c1O)[NH+]1CCCCC1 ZINC000765732073 723535800 /nfs/dbraw/zinc/53/58/00/723535800.db2.gz PAGOZLBYFSBQOM-OAHLLOKOSA-N 1 0 369.303 3.281 20 10 FGCDRO C[C@H](C(=O)NCc1cccc(Br)c1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000765733196 723536352 /nfs/dbraw/zinc/53/63/52/723536352.db2.gz VGICGQTXXABITI-GRYCIOLGSA-N 1 0 355.276 3.032 20 10 FGCDRO O=C(CCCC[NH+]1CCCC1)NCc1cccc(Br)c1O ZINC000765750511 723537969 /nfs/dbraw/zinc/53/79/69/723537969.db2.gz HNTRMDYCHLTVFW-UHFFFAOYSA-N 1 0 355.276 3.037 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000794829938 723548144 /nfs/dbraw/zinc/54/81/44/723548144.db2.gz UQVHGTRBBTZMTC-BDJLRTHQSA-N 1 0 363.255 3.340 20 10 FGCDRO CC1(C)CCC(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000767371703 723616547 /nfs/dbraw/zinc/61/65/47/723616547.db2.gz YAWYLQPBQDBSGE-UHFFFAOYSA-N 1 0 364.555 3.227 20 10 FGCDRO COc1cccc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000769389650 723683933 /nfs/dbraw/zinc/68/39/33/723683933.db2.gz SFEJLMUPZJICPG-OKILXGFUSA-N 1 0 350.459 3.231 20 10 FGCDRO C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043548 723775251 /nfs/dbraw/zinc/77/52/51/723775251.db2.gz CVSZXEZODHMLBT-INIZCTEOSA-N 1 0 350.478 3.256 20 10 FGCDRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773625052 723806863 /nfs/dbraw/zinc/80/68/63/723806863.db2.gz PBPVHJMJQQHVRW-WMLDXEAASA-N 1 0 360.527 3.477 20 10 FGCDRO COc1c(O)c(C[NH2+]C(C)(C)c2nc(C)c(C)s2)ccc1[N+](=O)[O-] ZINC000775015835 723952374 /nfs/dbraw/zinc/95/23/74/723952374.db2.gz YEXDPVFCPNNXRR-UHFFFAOYSA-N 1 0 351.428 3.407 20 10 FGCDRO O=C1[C@H]([NH2+]Cc2ccccc2O)CCN1c1cccc(Br)c1 ZINC000775034269 723954531 /nfs/dbraw/zinc/95/45/31/723954531.db2.gz PGHDSZPILIQUDZ-OAHLLOKOSA-N 1 0 361.239 3.050 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1O ZINC000775482802 723994559 /nfs/dbraw/zinc/99/45/59/723994559.db2.gz BKJMLIKAWMWMDI-MSOLQXFVSA-N 1 0 359.539 3.483 20 10 FGCDRO CC[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000775500390 723996506 /nfs/dbraw/zinc/99/65/06/723996506.db2.gz JEDLBPFJMXZRFQ-IRXDYDNUSA-N 1 0 367.921 3.029 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)ccc1O ZINC000775531529 723998509 /nfs/dbraw/zinc/99/85/09/723998509.db2.gz DULKGZAGBMGTSG-CQSZACIVSA-N 1 0 365.275 3.252 20 10 FGCDRO Cn1c(Cl)cnc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000799335777 724013835 /nfs/dbraw/zinc/01/38/35/724013835.db2.gz CXUHUAIIFZOGRJ-AWEZNQCLSA-N 1 0 369.296 3.187 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000775832091 724068772 /nfs/dbraw/zinc/06/87/72/724068772.db2.gz XOHAKJKAAMKXTF-UKRRQHHQSA-N 1 0 357.420 3.204 20 10 FGCDRO COc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)c(OC)c1OC ZINC000776173699 724115698 /nfs/dbraw/zinc/11/56/98/724115698.db2.gz GMCPGRXDLQKIEI-UHFFFAOYSA-N 1 0 351.830 3.404 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H](O)C(F)(F)F ZINC000776252936 724123838 /nfs/dbraw/zinc/12/38/38/724123838.db2.gz GOLNVAAGZSKXHG-ZYHUDNBSSA-N 1 0 356.182 3.255 20 10 FGCDRO COc1cc(C)cc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000800851861 724237845 /nfs/dbraw/zinc/23/78/45/724237845.db2.gz WYWNDRJRERMEPX-UHFFFAOYSA-N 1 0 362.495 3.217 20 10 FGCDRO CCCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)Cc1ccccc1O ZINC000801596589 724318009 /nfs/dbraw/zinc/31/80/09/724318009.db2.gz GWZOFLDSXDQNFP-UHFFFAOYSA-N 1 0 366.483 3.038 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)c1O ZINC000779002930 724380180 /nfs/dbraw/zinc/38/01/80/724380180.db2.gz KBXDBMHVOQHUAZ-ABAIWWIYSA-N 1 0 363.255 3.340 20 10 FGCDRO COC(=O)[C@H]1[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770575 725038048 /nfs/dbraw/zinc/03/80/48/725038048.db2.gz UEGJEBPRQHVDNC-GDBMZVCRSA-N 1 0 351.349 3.042 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788755906 725085995 /nfs/dbraw/zinc/08/59/95/725085995.db2.gz SYNFYPOBAUCDCI-UONOGXRCSA-N 1 0 359.436 3.088 20 10 FGCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808676733 725213107 /nfs/dbraw/zinc/21/31/07/725213107.db2.gz PZSWMRBCKOOTQL-ZDUSSCGKSA-N 1 0 374.934 3.209 20 10 FGCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808712010 725214490 /nfs/dbraw/zinc/21/44/90/725214490.db2.gz YNOYXTAWHOECRJ-CJNGLKHVSA-N 1 0 356.894 3.182 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c(O)c1 ZINC000809720323 725262466 /nfs/dbraw/zinc/26/24/66/725262466.db2.gz DCYWLKXRIYBICQ-INIZCTEOSA-N 1 0 350.459 3.280 20 10 FGCDRO CN(CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC000809734356 725263509 /nfs/dbraw/zinc/26/35/09/725263509.db2.gz DSYAOFSVHIWKRN-UHFFFAOYSA-N 1 0 360.329 3.157 20 10 FGCDRO [NH3+]CCN(Cc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000809736517 725263679 /nfs/dbraw/zinc/26/36/79/725263679.db2.gz YEOOKYZALPIJLE-UHFFFAOYSA-N 1 0 366.215 3.028 20 10 FGCDRO Cc1nccn1CCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000809752361 725264795 /nfs/dbraw/zinc/26/47/95/725264795.db2.gz BKVCHPHWDVDMGM-UHFFFAOYSA-N 1 0 352.276 3.490 20 10 FGCDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000810048839 725284692 /nfs/dbraw/zinc/28/46/92/725284692.db2.gz FYYYGMAIYJNBKH-UHFFFAOYSA-N 1 0 368.543 3.199 20 10 FGCDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000810163593 725293891 /nfs/dbraw/zinc/29/38/91/725293891.db2.gz ZPMQBQAGSBDOFR-GFCCVEGCSA-N 1 0 359.308 3.373 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810219443 725297562 /nfs/dbraw/zinc/29/75/62/725297562.db2.gz RUZYWZXWRLRHAW-CJNGLKHVSA-N 1 0 360.420 3.420 20 10 FGCDRO CC[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810228408 725298298 /nfs/dbraw/zinc/29/82/98/725298298.db2.gz UBHMLZWKGVCGDC-AWEZNQCLSA-N 1 0 365.417 3.277 20 10 FGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000815119244 727040657 /nfs/dbraw/zinc/04/06/57/727040657.db2.gz RIBIDAPAAIEGFQ-HNNXBMFYSA-N 1 0 357.420 3.033 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000815577786 727084761 /nfs/dbraw/zinc/08/47/61/727084761.db2.gz YZPWDPJVRAEVCT-UONOGXRCSA-N 1 0 351.393 3.378 20 10 FGCDRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(Cl)c(F)cc3O)nc2)C1 ZINC000816558664 727175856 /nfs/dbraw/zinc/17/58/56/727175856.db2.gz IOUAZBBAILLDKR-AWEZNQCLSA-N 1 0 364.852 3.332 20 10 FGCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000816625351 727182077 /nfs/dbraw/zinc/18/20/77/727182077.db2.gz BCYIHGVQHDAJKF-LLVKDONJSA-N 1 0 357.292 3.105 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000817960169 727289446 /nfs/dbraw/zinc/28/94/46/727289446.db2.gz XXDSEGCJEYDMCP-IAQYHMDHSA-N 1 0 357.292 3.123 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000819076893 727345116 /nfs/dbraw/zinc/34/51/16/727345116.db2.gz GUXLRULXWMVETB-LJQANCHMSA-N 1 0 362.901 3.382 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COc1ccccc1Cl ZINC000819094769 727346702 /nfs/dbraw/zinc/34/67/02/727346702.db2.gz LSVLAOYIODVQHI-SFHVURJKSA-N 1 0 358.869 3.246 20 10 FGCDRO CC(C)C[C@@H](C(=O)NCc1cccc(Br)c1O)n1ccnc1 ZINC000822459030 729177372 /nfs/dbraw/zinc/17/73/72/729177372.db2.gz NPEBITDLQFPMJD-AWEZNQCLSA-N 1 0 366.259 3.255 20 10 FGCDRO CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccccc1O ZINC000822654843 729205704 /nfs/dbraw/zinc/20/57/04/729205704.db2.gz RHIMDNPBGUXAAS-UHFFFAOYSA-N 1 0 368.524 3.116 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C[C@H](C)O1 ZINC000823671207 729297715 /nfs/dbraw/zinc/29/77/15/729297715.db2.gz KCJVSJGGVSVBRB-NDVMQCNYSA-N 1 0 350.478 3.485 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(C(F)(F)F)cc1O ZINC000824565415 729347902 /nfs/dbraw/zinc/34/79/02/729347902.db2.gz UISVHVXZKQRTPG-GDBMZVCRSA-N 1 0 360.420 3.299 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000824654667 729353268 /nfs/dbraw/zinc/35/32/68/729353268.db2.gz PPNHKMDEMGJIGC-MBOZVWFJSA-N 1 0 350.478 3.034 20 10 FGCDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1ccccc1O ZINC000825133735 729372540 /nfs/dbraw/zinc/37/25/40/729372540.db2.gz MGLLSHVUESQVQC-CQSZACIVSA-N 1 0 364.283 3.404 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1Cl ZINC000825190283 729374110 /nfs/dbraw/zinc/37/41/10/729374110.db2.gz HVRXCTUTVSSHJX-UHFFFAOYSA-N 1 0 353.871 3.188 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000825274554 729376563 /nfs/dbraw/zinc/37/65/63/729376563.db2.gz VWRSSMOEUPIYCL-UHFFFAOYSA-N 1 0 364.239 3.490 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1cccnc1OCC(F)F ZINC000825391597 729381507 /nfs/dbraw/zinc/38/15/07/729381507.db2.gz YNVDIKVGWINDKD-UHFFFAOYSA-N 1 0 373.197 3.483 20 10 FGCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715535 729392574 /nfs/dbraw/zinc/39/25/74/729392574.db2.gz ACFYXBHVDFTGJW-CYBMUJFWSA-N 1 0 350.260 3.268 20 10 FGCDRO CC(C)[NH+](CCNC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C ZINC000825737974 729393643 /nfs/dbraw/zinc/39/36/43/729393643.db2.gz RRRDIUGGSXMGMZ-UHFFFAOYSA-N 1 0 360.527 3.165 20 10 FGCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000825893174 729398779 /nfs/dbraw/zinc/39/87/79/729398779.db2.gz QYOMXRHAPSWFME-UHFFFAOYSA-N 1 0 364.165 3.197 20 10 FGCDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826889245 729417981 /nfs/dbraw/zinc/41/79/81/729417981.db2.gz SLYSPPSLSXEKTF-MNOVXSKESA-N 1 0 351.752 3.219 20 10 FGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000827733703 729433891 /nfs/dbraw/zinc/43/38/91/729433891.db2.gz LZGYHVSUMFOHER-SJKOYZFVSA-N 1 0 350.256 3.409 20 10 FGCDRO COC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000827873440 729436311 /nfs/dbraw/zinc/43/63/11/729436311.db2.gz UYSOBACEVILYBC-OAHLLOKOSA-N 1 0 361.873 3.294 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSc2ccccc2Cl)cc1 ZINC000832286356 729702574 /nfs/dbraw/zinc/70/25/74/729702574.db2.gz YHSFYGIRIGYBTF-MRXNPFEDSA-N 1 0 363.914 3.314 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000834827527 729837140 /nfs/dbraw/zinc/83/71/40/729837140.db2.gz KIWGCVJOWXJUGB-NVXWUHKLSA-N 1 0 358.507 3.364 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Br)ccc1O ZINC000834849779 729839006 /nfs/dbraw/zinc/83/90/06/729839006.db2.gz FLCJBMVEFVIZBR-GDBMZVCRSA-N 1 0 371.319 3.042 20 10 FGCDRO Cc1nsc(N2CCC[N@@H+](C/C=C\c3ccc(N(C)C)cc3)CC2)n1 ZINC000835028019 729850950 /nfs/dbraw/zinc/85/09/50/729850950.db2.gz IFEAXJXFJMUJTP-XQRVVYSFSA-N 1 0 357.527 3.138 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(C)n1 ZINC000840718943 730165665 /nfs/dbraw/zinc/16/56/65/730165665.db2.gz FWIZIQFDFDMZAK-ZDUSSCGKSA-N 1 0 350.413 3.341 20 10 FGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840873999 730186426 /nfs/dbraw/zinc/18/64/26/730186426.db2.gz FNAKNVLTXVRWAU-KRWDZBQOSA-N 1 0 351.830 3.194 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nc3cc(Cl)ccc3n2C)cc1 ZINC000841046009 730206073 /nfs/dbraw/zinc/20/60/73/730206073.db2.gz UKNGFNMJQYHUQF-INIZCTEOSA-N 1 0 357.889 3.082 20 10 FGCDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752703 730270808 /nfs/dbraw/zinc/27/08/08/730270808.db2.gz VFSFEGOARXOUJH-CHWSQXEVSA-N 1 0 357.841 3.495 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841756389 730270914 /nfs/dbraw/zinc/27/09/14/730270914.db2.gz XMNIGZBITPAHJD-GFCCVEGCSA-N 1 0 353.871 3.441 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1O ZINC000841756164 730270949 /nfs/dbraw/zinc/27/09/49/730270949.db2.gz UMBDVFPJLSISAY-YWZLYKJASA-N 1 0 360.885 3.333 20 10 FGCDRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(Cl)cc1O ZINC000841757662 730271201 /nfs/dbraw/zinc/27/12/01/730271201.db2.gz OKCHJBFFEFDTIG-SNVBAGLBSA-N 1 0 371.662 3.321 20 10 FGCDRO COc1cc(Br)cc(CN(C)C(C)(C)C[NH+]2CCCC2)c1O ZINC000841893878 730283450 /nfs/dbraw/zinc/28/34/50/730283450.db2.gz PZSLQJLFTDYKQW-UHFFFAOYSA-N 1 0 371.319 3.470 20 10 FGCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841895325 730283697 /nfs/dbraw/zinc/28/36/97/730283697.db2.gz CMAOEYWJXKBNCT-DZGCQCFKSA-N 1 0 352.910 3.113 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](C[NH3+])C3)cc2Cl)C1 ZINC000841897138 730283894 /nfs/dbraw/zinc/28/38/94/730283894.db2.gz PXEBGNGKGGEEDJ-GOEBONIOSA-N 1 0 364.921 3.067 20 10 FGCDRO CCCC[C@H](C[NH3+])NC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000841957863 730285787 /nfs/dbraw/zinc/28/57/87/730285787.db2.gz MNBJXQAEELYRRP-CQSZACIVSA-N 1 0 372.307 3.204 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(Br)cc1O ZINC000842887120 730553956 /nfs/dbraw/zinc/55/39/56/730553956.db2.gz WONUZRPUKMJYAH-GXFFZTMASA-N 1 0 355.276 3.205 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843044778 730573549 /nfs/dbraw/zinc/57/35/49/730573549.db2.gz IYFYHTARGZTXTJ-WFASDCNBSA-N 1 0 369.303 3.127 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000843299689 730605787 /nfs/dbraw/zinc/60/57/87/730605787.db2.gz VVIFMPRNLQSKIT-KRWDZBQOSA-N 1 0 363.914 3.314 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843386164 730612466 /nfs/dbraw/zinc/61/24/66/730612466.db2.gz IOBBJJSMGKCATR-LSDHHAIUSA-N 1 0 350.890 3.460 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c(C(F)(F)F)c1 ZINC000843416675 730617778 /nfs/dbraw/zinc/61/77/78/730617778.db2.gz WHXLROHBQCRIRM-OAHLLOKOSA-N 1 0 357.420 3.260 20 10 FGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(Br)n2)cc1 ZINC000844401869 730713514 /nfs/dbraw/zinc/71/35/14/730713514.db2.gz OLUSKVMUXXNAAX-UHFFFAOYSA-N 1 0 364.287 3.421 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846205698 730936441 /nfs/dbraw/zinc/93/64/41/730936441.db2.gz KBQOYPJFHSAISW-VXGBXAGGSA-N 1 0 367.287 3.125 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccnc2)c1O ZINC000848514434 731173724 /nfs/dbraw/zinc/17/37/24/731173724.db2.gz OHISNBLJZNAKSU-NSHDSACASA-N 1 0 354.248 3.101 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000848525085 731175183 /nfs/dbraw/zinc/17/51/83/731175183.db2.gz MSEOQJBWNFNSBU-ZYHUDNBSSA-N 1 0 355.276 3.051 20 10 FGCDRO CCn1ccnc1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848554655 731180774 /nfs/dbraw/zinc/18/07/74/731180774.db2.gz YSYCHOZUUYTNIU-SNVBAGLBSA-N 1 0 354.248 3.231 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ncccc2OC)c1O ZINC000848553525 731180851 /nfs/dbraw/zinc/18/08/51/731180851.db2.gz USUKWJPXOXGKOR-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO CCc1cccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1O ZINC000848880321 731217300 /nfs/dbraw/zinc/21/73/00/731217300.db2.gz FACUEZFTHCGAIH-UHFFFAOYSA-N 1 0 354.479 3.282 20 10 FGCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1O ZINC000848897334 731218698 /nfs/dbraw/zinc/21/86/98/731218698.db2.gz PEAZNDORTGJKOM-MRXNPFEDSA-N 1 0 363.841 3.202 20 10 FGCDRO CC(C)CCNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000849069156 731225616 /nfs/dbraw/zinc/22/56/16/731225616.db2.gz QDGUVKMHLRDLFV-GASCZTMLSA-N 1 0 350.482 3.099 20 10 FGCDRO CC(C)CCNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000849069158 731225667 /nfs/dbraw/zinc/22/56/67/731225667.db2.gz QDGUVKMHLRDLFV-HUUCEWRRSA-N 1 0 350.482 3.099 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[O-] ZINC000849350511 731251359 /nfs/dbraw/zinc/25/13/59/731251359.db2.gz OVFNMIUXPYVXKY-CYBMUJFWSA-N 1 0 353.850 3.165 20 10 FGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CO1 ZINC000850034129 731311751 /nfs/dbraw/zinc/31/17/51/731311751.db2.gz HPYFNJSFOYLJNJ-GDBMZVCRSA-N 1 0 358.404 3.199 20 10 FGCDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850155133 731326894 /nfs/dbraw/zinc/32/68/94/731326894.db2.gz OEDYRAWOSCSRKK-GOEBONIOSA-N 1 0 369.527 3.144 20 10 FGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000850411697 731353726 /nfs/dbraw/zinc/35/37/26/731353726.db2.gz ILTRXCOIOYGWIB-SJCJKPOMSA-N 1 0 350.256 3.409 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850500220 731365246 /nfs/dbraw/zinc/36/52/46/731365246.db2.gz BQWDDOBZNORIOY-WIBXPIJZSA-N 1 0 368.518 3.003 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000850560250 731373711 /nfs/dbraw/zinc/37/37/11/731373711.db2.gz CKMHMORMGZQWIX-PXAZEXFGSA-N 1 0 372.303 3.373 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1F ZINC000852805056 731637006 /nfs/dbraw/zinc/63/70/06/731637006.db2.gz NQLTYUGRKHPGGD-UHFFFAOYSA-N 1 0 361.486 3.309 20 10 FGCDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858138749 732184934 /nfs/dbraw/zinc/18/49/34/732184934.db2.gz JTKPLSJYCJDDNQ-LRDDRELGSA-N 1 0 350.256 3.409 20 10 FGCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000858505544 732221598 /nfs/dbraw/zinc/22/15/98/732221598.db2.gz MBRACTICESXPDZ-MFKMUULPSA-N 1 0 354.244 3.457 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN(C)CC(F)F)c1O ZINC000858597759 732229866 /nfs/dbraw/zinc/22/98/66/732229866.db2.gz WKJKSILHTBJVRR-JTQLQIEISA-N 1 0 351.235 3.311 20 10 FGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862238916 732794180 /nfs/dbraw/zinc/79/41/80/732794180.db2.gz OUYHDTVJATYIHS-UHFFFAOYSA-N 1 0 371.275 3.207 20 10 FGCDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1c(O)cccc1Br)C[C@H](C)O2 ZINC000862353320 732814176 /nfs/dbraw/zinc/81/41/76/732814176.db2.gz KNVZJZIELZMHFK-IIYDPXPESA-N 1 0 370.287 3.313 20 10 FGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862365926 732817496 /nfs/dbraw/zinc/81/74/96/732817496.db2.gz HPZZGHSVZCHHNH-LBPRGKRZSA-N 1 0 355.276 3.035 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 ZINC000866517153 733360042 /nfs/dbraw/zinc/36/00/42/733360042.db2.gz JEHTVLGIMJWINA-CKEIUWERSA-N 1 0 361.463 3.056 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)c2nccnc2C)c1O ZINC000873189871 735735197 /nfs/dbraw/zinc/73/51/97/735735197.db2.gz SIACYVBIMNKWPO-SNVBAGLBSA-N 1 0 352.232 3.113 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccsc2C(F)(F)F)cc1 ZINC000876505687 736108131 /nfs/dbraw/zinc/10/81/31/736108131.db2.gz ANGHKSBJZAPECG-CYBMUJFWSA-N 1 0 357.401 3.263 20 10 FGCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000876963676 736168289 /nfs/dbraw/zinc/16/82/89/736168289.db2.gz HYSYFZRKXJGOIS-UPCLLVRISA-N 1 0 354.431 3.336 20 10 FGCDRO O=c1[nH]c2ccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cc2[nH]1 ZINC000882901486 737502520 /nfs/dbraw/zinc/50/25/20/737502520.db2.gz JLNFCFIILRERGV-UHFFFAOYSA-N 1 0 354.479 3.112 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNCc3ncc(C(F)(F)F)s3)cc2)CC1 ZINC000883283864 737546784 /nfs/dbraw/zinc/54/67/84/737546784.db2.gz WETHBACZTRSSNA-UHFFFAOYSA-N 1 0 370.444 3.204 20 10 FGCDRO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886748878 739290995 /nfs/dbraw/zinc/29/09/95/739290995.db2.gz BMXLZWREJOFDFE-CYBMUJFWSA-N 1 0 357.420 3.209 20 10 FGCDRO Cc1cnc(Cl)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891242264 739886090 /nfs/dbraw/zinc/88/60/90/739886090.db2.gz DKZNNBLEBLJZRP-KRWDZBQOSA-N 1 0 360.889 3.142 20 10 FGCDRO CC[C@@H](CC(F)(F)F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248351 739886422 /nfs/dbraw/zinc/88/64/22/739886422.db2.gz LQTIWKLDVCLQQW-XJKSGUPXSA-N 1 0 359.436 3.450 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H]3C[C@@]3(C)Br)C2)cc1 ZINC000895006080 742362866 /nfs/dbraw/zinc/36/28/66/742362866.db2.gz KLFMGMFEHWBYAM-CKEIUWERSA-N 1 0 353.304 3.285 20 10 FGCDRO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000895051302 742369369 /nfs/dbraw/zinc/36/93/69/742369369.db2.gz MQQMDBGDHPMTIZ-CQSZACIVSA-N 1 0 360.479 3.159 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000896984579 742626554 /nfs/dbraw/zinc/62/65/54/742626554.db2.gz MPNUAFWQXXNXQA-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+](C2CCC2)C1 ZINC000908356871 744281882 /nfs/dbraw/zinc/28/18/82/744281882.db2.gz CLIDOSUBIKISEX-LBPRGKRZSA-N 1 0 360.479 3.259 20 10 FGCDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000922422088 758921383 /nfs/dbraw/zinc/92/13/83/758921383.db2.gz SITUSAPEUFWPFI-UHFFFAOYSA-N 1 0 364.555 3.370 20 10 FGCDRO Fc1cc(C[NH2+][C@H]2CCc3c2nccc3Cl)ccc1N1CCOCC1 ZINC000924713493 759376051 /nfs/dbraw/zinc/37/60/51/759376051.db2.gz DLQSMJOABHYICC-KRWDZBQOSA-N 1 0 361.848 3.488 20 10 FGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)C3(Br)CC3)C2)cc1 ZINC000926612272 759789722 /nfs/dbraw/zinc/78/97/22/759789722.db2.gz NHBXGSUCRIIEMU-KGLIPLIRSA-N 1 0 353.304 3.427 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3nccc4Cl)cc2)CC1 ZINC000926726127 759810645 /nfs/dbraw/zinc/81/06/45/759810645.db2.gz XMXYSVNACHUDLO-LJQANCHMSA-N 1 0 357.885 3.473 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1ccc(C(F)(F)F)cc1O ZINC000927156774 759909418 /nfs/dbraw/zinc/90/94/18/759909418.db2.gz QIJAXAJFMJUYTP-IMJJTQAJSA-N 1 0 359.388 3.382 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779017524 724381470 /nfs/dbraw/zinc/38/14/70/724381470.db2.gz KRXNNZNOSWIKDH-DCBWTQNWSA-N 1 0 369.303 3.419 20 10 FGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c(C)o1 ZINC000093009150 494807784 /nfs/dbraw/zinc/80/77/84/494807784.db2.gz WEWDUUDRWZIGDP-UHFFFAOYSA-N 1 0 355.482 3.357 20 10 FGCDRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093454460 494892736 /nfs/dbraw/zinc/89/27/36/494892736.db2.gz RJVISTZDCGXRKG-OAQYLSRUSA-N 1 0 368.525 3.356 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000124901092 495361872 /nfs/dbraw/zinc/36/18/72/495361872.db2.gz JLZRXKDAVYJJQO-INIZCTEOSA-N 1 0 355.482 3.118 20 10 FGCDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151357125 495814100 /nfs/dbraw/zinc/81/41/00/495814100.db2.gz AJLWOHGURSFXKG-KRWDZBQOSA-N 1 0 363.521 3.313 20 10 FGCDRO O=C(NCCc1cccs1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180009134 495821270 /nfs/dbraw/zinc/82/12/70/495821270.db2.gz IODXTMJBKUIUPL-UHFFFAOYSA-N 1 0 362.470 3.164 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c1 ZINC000180026917 495829054 /nfs/dbraw/zinc/82/90/54/495829054.db2.gz SARXHMKICCFXAN-UHFFFAOYSA-N 1 0 358.438 3.005 20 10 FGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(C)n1 ZINC000151571612 495881901 /nfs/dbraw/zinc/88/19/01/495881901.db2.gz HQXIBCNDLNITMZ-OAHLLOKOSA-N 1 0 354.498 3.153 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180324960 495952207 /nfs/dbraw/zinc/95/22/07/495952207.db2.gz IKBUIKFEHHQUCX-UHFFFAOYSA-N 1 0 369.303 3.153 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000151881447 495980282 /nfs/dbraw/zinc/98/02/82/495980282.db2.gz XMYSFBDQLBGHQI-HUUCEWRRSA-N 1 0 361.511 3.073 20 10 FGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccc1S(C)(=O)=O ZINC000160540160 495987087 /nfs/dbraw/zinc/98/70/87/495987087.db2.gz MICXFIZTLBQUKY-AWEZNQCLSA-N 1 0 362.495 3.016 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186501108 496022243 /nfs/dbraw/zinc/02/22/43/496022243.db2.gz VHLYSKDBCHWJEN-UHFFFAOYSA-N 1 0 358.301 3.253 20 10 FGCDRO c1cncc(CN2CCC([NH2+]Cc3ccc(N4CCCC4)cc3)CC2)c1 ZINC000177975922 496273556 /nfs/dbraw/zinc/27/35/56/496273556.db2.gz ZIFCDXACEFDQIC-UHFFFAOYSA-N 1 0 350.510 3.436 20 10 FGCDRO Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1O ZINC000181785760 496543871 /nfs/dbraw/zinc/54/38/71/496543871.db2.gz XOBYCKJJLGVFBL-UHFFFAOYSA-N 1 0 374.506 3.165 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904060 496579213 /nfs/dbraw/zinc/57/92/13/496579213.db2.gz HTNAPOWDIDQJLR-OXJNMPFZSA-N 1 0 356.466 3.125 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109543 496664837 /nfs/dbraw/zinc/66/48/37/496664837.db2.gz CUOCHUGVGZPSOM-STQMWFEESA-N 1 0 366.458 3.193 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000273435069 496804735 /nfs/dbraw/zinc/80/47/35/496804735.db2.gz WSHIMCBDDSMIAB-LBPRGKRZSA-N 1 0 353.871 3.441 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)cc1OC ZINC000277581140 496819674 /nfs/dbraw/zinc/81/96/74/496819674.db2.gz UBHJLRCWJMGESQ-MRXNPFEDSA-N 1 0 369.421 3.174 20 10 FGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264949743 497017758 /nfs/dbraw/zinc/01/77/58/497017758.db2.gz KFDIGRPEWFWWRJ-GFCCVEGCSA-N 1 0 368.886 3.147 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000278372696 497091387 /nfs/dbraw/zinc/09/13/87/497091387.db2.gz ZSXXVPZNZBEOOR-DZGCQCFKSA-N 1 0 350.459 3.278 20 10 FGCDRO Cc1nn2c(CN(Cc3ccccc3O)C[C@H]3CCCO3)c(C)nc2s1 ZINC000270997670 497242409 /nfs/dbraw/zinc/24/24/09/497242409.db2.gz JZYUMKSHDDPZEQ-MRXNPFEDSA-N 1 0 372.494 3.294 20 10 FGCDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278894998 497259126 /nfs/dbraw/zinc/25/91/26/497259126.db2.gz YVQPYOIXZZFCJX-CHWSQXEVSA-N 1 0 360.329 3.376 20 10 FGCDRO Nc1ccc(CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000237902542 497311334 /nfs/dbraw/zinc/31/13/34/497311334.db2.gz NDFPQGIDBDKBDS-LJQANCHMSA-N 1 0 357.885 3.418 20 10 FGCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)ccc1N(C)C ZINC000271571251 497386382 /nfs/dbraw/zinc/38/63/82/497386382.db2.gz ZDDOGCSDGZKLGE-CQSZACIVSA-N 1 0 364.486 3.454 20 10 FGCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000245927071 497575534 /nfs/dbraw/zinc/57/55/34/497575534.db2.gz ZCGAHRQZCOFKTE-QTLCSOKXSA-N 1 0 360.473 3.271 20 10 FGCDRO Cc1noc(C2CCC([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)CC2)n1 ZINC000267805382 497621348 /nfs/dbraw/zinc/62/13/48/497621348.db2.gz LHXRYPNBJUTLFH-UHFFFAOYSA-N 1 0 374.460 3.170 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555515 497661420 /nfs/dbraw/zinc/66/14/20/497661420.db2.gz ZHEMRKSWYNSLGW-MXFAVLBMSA-N 1 0 366.461 3.138 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000280477799 497765862 /nfs/dbraw/zinc/76/58/62/497765862.db2.gz DEYPAMRSQASNAP-UHFFFAOYSA-N 1 0 356.488 3.037 20 10 FGCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000273119761 497801430 /nfs/dbraw/zinc/80/14/30/497801430.db2.gz SHOPVMXPPKHNEJ-JTQLQIEISA-N 1 0 357.248 3.036 20 10 FGCDRO CC(C)(C)c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000284529033 497821662 /nfs/dbraw/zinc/82/16/62/497821662.db2.gz ZSYTZQIZPPYJNP-UHFFFAOYSA-N 1 0 358.461 3.040 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(C[C@@H]3c3nnc(C)o3)CC2)c1O ZINC000364204771 497840036 /nfs/dbraw/zinc/84/00/36/497840036.db2.gz DKCJTXOLQQNBNK-MRXNPFEDSA-N 1 0 359.401 3.195 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1O ZINC000284624571 497846869 /nfs/dbraw/zinc/84/68/69/497846869.db2.gz MTMYQKUCGRETMY-KSSFIOAISA-N 1 0 365.861 3.451 20 10 FGCDRO Cc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000299558985 497847992 /nfs/dbraw/zinc/84/79/92/497847992.db2.gz FMJYIOIBQPEWSC-UHFFFAOYSA-N 1 0 354.498 3.434 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292070195 497865716 /nfs/dbraw/zinc/86/57/16/497865716.db2.gz KZWIWFDMJSFJKT-CQSZACIVSA-N 1 0 355.276 3.035 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292178143 497911810 /nfs/dbraw/zinc/91/18/10/497911810.db2.gz OKYJGSSMTPXPHP-QGZVFWFLSA-N 1 0 367.493 3.076 20 10 FGCDRO CC[C@H]([NH2+]CCC(=O)N1CCOc2ccccc2C1)c1ccccc1O ZINC000364367921 497924652 /nfs/dbraw/zinc/92/46/52/497924652.db2.gz YPMWCQQFGZYKSY-SFHVURJKSA-N 1 0 354.450 3.244 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3ncccc3Cl)CC2)cc1 ZINC000301109124 497955695 /nfs/dbraw/zinc/95/56/95/497955695.db2.gz VPBCHHMCAHMURU-UHFFFAOYSA-N 1 0 360.889 3.368 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000364628097 498057582 /nfs/dbraw/zinc/05/75/82/498057582.db2.gz DOCZRAYBXHKVFC-CQSZACIVSA-N 1 0 368.433 3.477 20 10 FGCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000285367130 498065224 /nfs/dbraw/zinc/06/52/24/498065224.db2.gz ZDNCGRMWNIRJMY-KRWDZBQOSA-N 1 0 364.873 3.455 20 10 FGCDRO COC1CCN(c2ccc(C[NH+]3CCC4(CC3)OCCCO4)cc2)CC1 ZINC000296871873 498231348 /nfs/dbraw/zinc/23/13/48/498231348.db2.gz ZTXMBKXAJVMUDG-UHFFFAOYSA-N 1 0 360.498 3.031 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c1O ZINC000359961909 498232634 /nfs/dbraw/zinc/23/26/34/498232634.db2.gz UFLPARXILOBWMQ-UHFFFAOYSA-N 1 0 364.829 3.042 20 10 FGCDRO C[C@](CO)([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)cc1 ZINC000289715939 498261455 /nfs/dbraw/zinc/26/14/55/498261455.db2.gz PBZJXOQRWWXIES-MRXNPFEDSA-N 1 0 354.219 3.291 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(OC3CCOCC3)CC2)c1O ZINC000360342356 498266759 /nfs/dbraw/zinc/26/67/59/498266759.db2.gz JMRDVJYBVOSQHC-UHFFFAOYSA-N 1 0 355.862 3.214 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000281806025 498276089 /nfs/dbraw/zinc/27/60/89/498276089.db2.gz YQEPGRKQHHRDAC-NEPJUHHUSA-N 1 0 355.276 3.125 20 10 FGCDRO CN(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000360963631 498326634 /nfs/dbraw/zinc/32/66/34/498326634.db2.gz YRFAWWHBXJRVLE-GOTSBHOMSA-N 1 0 365.521 3.231 20 10 FGCDRO Cn1cc(C[NH2+]C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000361600873 498411521 /nfs/dbraw/zinc/41/15/21/498411521.db2.gz ZQKGXFGVMZJYSZ-UHFFFAOYSA-N 1 0 354.376 3.077 20 10 FGCDRO O=S1(=O)CC[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000293790046 498490086 /nfs/dbraw/zinc/49/00/86/498490086.db2.gz QOGAPJUAZZDDIP-HKUYNNGSSA-N 1 0 359.491 3.090 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC000294938716 498855028 /nfs/dbraw/zinc/85/50/28/498855028.db2.gz BPUYJTRZBJFACX-FQEVSTJZSA-N 1 0 360.523 3.262 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287798901 498866583 /nfs/dbraw/zinc/86/65/83/498866583.db2.gz TZSIMEDTXNRADO-WBMJQRKESA-N 1 0 360.329 3.376 20 10 FGCDRO CN1CCc2cc(C[N@@H+](C)C[C@@H]3CCN(C)[C@H]3c3cccnc3)ccc21 ZINC000328628476 498881850 /nfs/dbraw/zinc/88/18/50/498881850.db2.gz HHVGARFZFSLYMA-UNMCSNQZSA-N 1 0 350.510 3.199 20 10 FGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C2 ZINC000363871028 499033260 /nfs/dbraw/zinc/03/32/60/499033260.db2.gz ZIXWEVCUDAXDCF-YGRLFVJLSA-N 1 0 362.271 3.461 20 10 FGCDRO CC(C)(C)c1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000284226749 499071523 /nfs/dbraw/zinc/07/15/23/499071523.db2.gz DDHKPQVYDAIBHG-UHFFFAOYSA-N 1 0 372.488 3.164 20 10 FGCDRO CN1CC[NH+](CC2(C)CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000366787365 499073962 /nfs/dbraw/zinc/07/39/62/499073962.db2.gz GFHMVYVPKOJKPB-UHFFFAOYSA-N 1 0 369.912 3.034 20 10 FGCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000370428094 499220150 /nfs/dbraw/zinc/22/01/50/499220150.db2.gz LYIUPDRORWZETK-AWEZNQCLSA-N 1 0 364.442 3.000 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(O)(Cc3ccccc3OC)CC2)c1O ZINC000370665641 499241759 /nfs/dbraw/zinc/24/17/59/499241759.db2.gz CNUSNZHLUAUEHF-UHFFFAOYSA-N 1 0 371.477 3.369 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC000370766345 499252674 /nfs/dbraw/zinc/25/26/74/499252674.db2.gz LRZUXHMVGJUQBY-DQLDELGASA-N 1 0 371.525 3.043 20 10 FGCDRO COc1cccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1O ZINC000371334931 499312066 /nfs/dbraw/zinc/31/20/66/499312066.db2.gz HVCBUYUEXQMCFF-UHFFFAOYSA-N 1 0 366.259 3.197 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000368753789 499328020 /nfs/dbraw/zinc/32/80/20/499328020.db2.gz MCMHZWXEPROYHM-QEORTHHSSA-N 1 0 370.287 3.452 20 10 FGCDRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000371485142 499333030 /nfs/dbraw/zinc/33/30/30/499333030.db2.gz KSOVMMDOOHZQKS-UZLBHIALSA-N 1 0 354.498 3.468 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000368794222 499333331 /nfs/dbraw/zinc/33/33/31/499333331.db2.gz AIHFLPZBYZGMCH-CQSZACIVSA-N 1 0 360.479 3.371 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)ccc21 ZINC000371534246 499339262 /nfs/dbraw/zinc/33/92/62/499339262.db2.gz NDDXUCTXOBSANR-UTKZUKDTSA-N 1 0 369.509 3.071 20 10 FGCDRO Cn1cccc1C(=O)NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000368859223 499340756 /nfs/dbraw/zinc/34/07/56/499340756.db2.gz MXAIYMBPDRVGLU-UHFFFAOYSA-N 1 0 363.461 3.278 20 10 FGCDRO CN(C)c1ccc(C2=CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000371870970 499373962 /nfs/dbraw/zinc/37/39/62/499373962.db2.gz VZXFCUWDEDBEPN-UHFFFAOYSA-N 1 0 370.541 3.424 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(c2cc(C(=O)OC)ccn2)CC1)c1ccccc1O ZINC000373461718 499471206 /nfs/dbraw/zinc/47/12/06/499471206.db2.gz OEHGYJDLCKQJLC-GOSISDBHSA-N 1 0 369.465 3.284 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000378206921 499490363 /nfs/dbraw/zinc/49/03/63/499490363.db2.gz BKFFPDIPLZFVRN-KRWDZBQOSA-N 1 0 373.541 3.148 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000376061530 499579790 /nfs/dbraw/zinc/57/97/90/499579790.db2.gz IWPVSUKTPDGLQO-KHIZAZIESA-N 1 0 359.426 3.232 20 10 FGCDRO CN1CCN([C@H]2CCCC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000377619029 499710906 /nfs/dbraw/zinc/71/09/06/499710906.db2.gz CVMSKJDTTSLXNV-IBGZPJMESA-N 1 0 353.510 3.147 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000377699471 499722065 /nfs/dbraw/zinc/72/20/65/499722065.db2.gz MNJXWXKHESFXBH-VWKPWSFCSA-N 1 0 372.513 3.210 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@](C)(F)C2)C1 ZINC000444353942 500838411 /nfs/dbraw/zinc/83/84/11/500838411.db2.gz VIZKOZGHHZDBDE-OAQYLSRUSA-N 1 0 357.473 3.368 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]2C2CC2)C1 ZINC000452484042 501510567 /nfs/dbraw/zinc/51/05/67/501510567.db2.gz CIALTTAULOZNKE-IBGZPJMESA-N 1 0 351.494 3.419 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000471907633 502169734 /nfs/dbraw/zinc/16/97/34/502169734.db2.gz BYBKGNKQQZHAIE-MRXNPFEDSA-N 1 0 354.498 3.303 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000472169815 502256707 /nfs/dbraw/zinc/25/67/07/502256707.db2.gz IIWSWLDQVFHUMH-UHFFFAOYSA-N 1 0 356.514 3.408 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000472226884 502276811 /nfs/dbraw/zinc/27/68/11/502276811.db2.gz XDQVZRJVHGHKMJ-KRWDZBQOSA-N 1 0 354.498 3.257 20 10 FGCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)c1 ZINC000528861031 504420589 /nfs/dbraw/zinc/42/05/89/504420589.db2.gz IUUQWKMHGGGOBF-SFHVURJKSA-N 1 0 374.868 3.335 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820120808 607004731 /nfs/dbraw/zinc/00/47/31/607004731.db2.gz KBGYDSHKGOLISO-UHFFFAOYSA-N 1 0 368.460 3.482 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000821199129 607111263 /nfs/dbraw/zinc/11/12/63/607111263.db2.gz ZICZRNKIFZTHNM-UHFFFAOYSA-N 1 0 350.470 3.345 20 10 FGCDRO Cc1cc(O)c(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000826271359 608488346 /nfs/dbraw/zinc/48/83/46/608488346.db2.gz ODYCSTDKLRNCBL-UHFFFAOYSA-N 1 0 361.449 3.478 20 10 FGCDRO CCOc1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c(O)c1 ZINC000825638317 608532348 /nfs/dbraw/zinc/53/23/48/608532348.db2.gz JOBOUYARQSRNEZ-UHFFFAOYSA-N 1 0 367.453 3.382 20 10 FGCDRO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118564 700224513 /nfs/dbraw/zinc/22/45/13/700224513.db2.gz HJLZAOAAYBCVNF-NEPJUHHUSA-N 1 0 357.292 3.280 20 10 FGCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000093871536 700455253 /nfs/dbraw/zinc/45/52/53/700455253.db2.gz QZFQTBAFTOVDQD-UHFFFAOYSA-N 1 0 352.891 3.172 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccccc2)c1O ZINC000114508194 700578389 /nfs/dbraw/zinc/57/83/89/700578389.db2.gz PQOBPCYLTFTGCH-KRWDZBQOSA-N 1 0 366.255 3.161 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1 ZINC000126380372 700747472 /nfs/dbraw/zinc/74/74/72/700747472.db2.gz LPVDNCQHCIWSKJ-AWEZNQCLSA-N 1 0 361.873 3.431 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000133678903 700840403 /nfs/dbraw/zinc/84/04/03/700840403.db2.gz WGFQSQCXCSBLKW-CZUORRHYSA-N 1 0 350.409 3.121 20 10 FGCDRO CC(C)(CNC(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000151681755 704933246 /nfs/dbraw/zinc/93/32/46/704933246.db2.gz VLJGSBNECDJPCK-UHFFFAOYSA-N 1 0 356.561 3.189 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000153731645 705010277 /nfs/dbraw/zinc/01/02/77/705010277.db2.gz KBYIMBFMAKMZPW-LJQANCHMSA-N 1 0 361.555 3.073 20 10 FGCDRO CCCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160757670 705260963 /nfs/dbraw/zinc/26/09/63/705260963.db2.gz XPIHQHZCVPRUJL-FQEVSTJZSA-N 1 0 364.555 3.466 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1O ZINC000184854656 712677404 /nfs/dbraw/zinc/67/74/04/712677404.db2.gz GTSCJGKWGMAHLU-CJNGLKHVSA-N 1 0 350.459 3.317 20 10 FGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)N1CCOCC1 ZINC000184974280 712680118 /nfs/dbraw/zinc/68/01/18/712680118.db2.gz SJIWVYHFJXFDTH-KXBFYZLASA-N 1 0 350.503 3.188 20 10 FGCDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(O)c1O ZINC000248423520 713649557 /nfs/dbraw/zinc/64/95/57/713649557.db2.gz ZFANGCOWOFJMEA-CZUORRHYSA-N 1 0 360.479 3.281 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382406093 713979448 /nfs/dbraw/zinc/97/94/48/713979448.db2.gz AYVSHZNRLMXLHL-ZFWWWQNUSA-N 1 0 350.459 3.184 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000779060080 724385799 /nfs/dbraw/zinc/38/57/99/724385799.db2.gz CWHNGADHQAQQDV-WCQYABFASA-N 1 0 350.260 3.325 20 10 FGCDRO CCOc1ccc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c(O)c1 ZINC000802652418 724397535 /nfs/dbraw/zinc/39/75/35/724397535.db2.gz FZLLVGDFBZBBIS-UHFFFAOYSA-N 1 0 362.495 3.299 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000802655240 724398315 /nfs/dbraw/zinc/39/83/15/724398315.db2.gz WWMHCRLZTUABIH-IBGZPJMESA-N 1 0 350.459 3.138 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000706484502 722412028 /nfs/dbraw/zinc/41/20/28/722412028.db2.gz YVZKJJNIIAMDRW-IBGZPJMESA-N 1 0 350.459 3.280 20 10 FGCDRO CCOc1cccc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000706484504 722412267 /nfs/dbraw/zinc/41/22/67/722412267.db2.gz YVZKJJNIIAMDRW-LJQANCHMSA-N 1 0 350.459 3.280 20 10 FGCDRO Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000731852069 722478513 /nfs/dbraw/zinc/47/85/13/722478513.db2.gz KMNAXXUUSDGBFM-CQSZACIVSA-N 1 0 364.833 3.128 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000733325920 722495754 /nfs/dbraw/zinc/49/57/54/722495754.db2.gz YIWBVABNIZBLJD-UHFFFAOYSA-N 1 0 368.524 3.082 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1O ZINC000734850675 722510690 /nfs/dbraw/zinc/51/06/90/722510690.db2.gz LZLCMDRSYJFYDD-CQSZACIVSA-N 1 0 370.218 3.126 20 10 FGCDRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000740006413 722534703 /nfs/dbraw/zinc/53/47/03/722534703.db2.gz MIHOVHFOLYYTLN-VQIMIIECSA-N 1 0 360.885 3.018 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1C ZINC000742366111 722556446 /nfs/dbraw/zinc/55/64/46/722556446.db2.gz KMZCPEATBWWKFN-GOSISDBHSA-N 1 0 359.539 3.149 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000753619098 722907218 /nfs/dbraw/zinc/90/72/18/722907218.db2.gz JHCBEXJJJZVZAV-GUYCJALGSA-N 1 0 358.404 3.199 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc(Br)ccc1O ZINC000756398302 722963936 /nfs/dbraw/zinc/96/39/36/722963936.db2.gz UOCYSZBZSCGHDW-GXTWGEPZSA-N 1 0 366.255 3.245 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756434719 722964515 /nfs/dbraw/zinc/96/45/15/722964515.db2.gz OXBNQXMZAGHLIJ-LRDDRELGSA-N 1 0 363.454 3.414 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCc3sccc3C2)c1 ZINC000756509668 722965894 /nfs/dbraw/zinc/96/58/94/722965894.db2.gz LKBZPLVDFUHNIN-ZDUSSCGKSA-N 1 0 360.479 3.088 20 10 FGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000756529253 722966284 /nfs/dbraw/zinc/96/62/84/722966284.db2.gz QOVBMGMDUSVDOH-CMPLNLGQSA-N 1 0 357.248 3.036 20 10 FGCDRO C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1O ZINC000756650219 722968273 /nfs/dbraw/zinc/96/82/73/722968273.db2.gz UKEWGAGFEGSKTG-SNVBAGLBSA-N 1 0 371.275 3.425 20 10 FGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCCO1 ZINC000758498789 722990716 /nfs/dbraw/zinc/99/07/16/722990716.db2.gz NLEOMZCWELYSKR-LJQANCHMSA-N 1 0 350.478 3.347 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)c1ccccc1O ZINC000760014600 723033849 /nfs/dbraw/zinc/03/38/49/723033849.db2.gz DREJUKZKBSZLBP-GOSISDBHSA-N 1 0 363.479 3.053 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000789756914 723070592 /nfs/dbraw/zinc/07/05/92/723070592.db2.gz ITPOYDYMRGQXPL-UHFFFAOYSA-N 1 0 354.288 3.496 20 10 FGCDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccsc1 ZINC000789957552 723088078 /nfs/dbraw/zinc/08/80/78/723088078.db2.gz UMYOCTARMDRHAQ-ZDUSSCGKSA-N 1 0 352.431 3.111 20 10 FGCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc(OC)c1O ZINC000761203367 723132766 /nfs/dbraw/zinc/13/27/66/723132766.db2.gz QTELCLINIZPSEN-CVEARBPZSA-N 1 0 354.878 3.276 20 10 FGCDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000790780225 723177090 /nfs/dbraw/zinc/17/70/90/723177090.db2.gz OUUWJKBSSGXGBM-CYBMUJFWSA-N 1 0 356.561 3.045 20 10 FGCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000793610964 723454915 /nfs/dbraw/zinc/45/49/15/723454915.db2.gz ZPRZBQARRBOUAZ-HOTGVXAUSA-N 1 0 352.450 3.480 20 10 FGCDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)cc1Cl ZINC000764965227 723464317 /nfs/dbraw/zinc/46/43/17/723464317.db2.gz UFOJYRRJTNDRSN-RYGJVYDSSA-N 1 0 363.933 3.454 20 10 FGCDRO C[C@@H](C(=O)NCc1cccc(Br)c1O)[NH+]1CCCCCC1 ZINC000765728304 723535374 /nfs/dbraw/zinc/53/53/74/723535374.db2.gz GTRWENUPAXOQOV-LBPRGKRZSA-N 1 0 355.276 3.035 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000794827601 723547973 /nfs/dbraw/zinc/54/79/73/723547973.db2.gz LGVYLZSCBPDAIV-GFCCVEGCSA-N 1 0 368.275 3.491 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000767711650 723630565 /nfs/dbraw/zinc/63/05/65/723630565.db2.gz KYADEMYWSXNZJM-OAHLLOKOSA-N 1 0 353.384 3.362 20 10 FGCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000796526684 723641524 /nfs/dbraw/zinc/64/15/24/723641524.db2.gz PTGZJAZIMCKNTP-OAQYLSRUSA-N 1 0 368.296 3.323 20 10 FGCDRO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768445840 723657997 /nfs/dbraw/zinc/65/79/97/723657997.db2.gz JSTKHUCORZYGCV-IEBWSBKVSA-N 1 0 357.475 3.417 20 10 FGCDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769473897 723686596 /nfs/dbraw/zinc/68/65/96/723686596.db2.gz QDZFYOGLQLXQRM-OALUTQOASA-N 1 0 350.478 3.298 20 10 FGCDRO Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c(O)c1O ZINC000770495847 723715136 /nfs/dbraw/zinc/71/51/36/723715136.db2.gz YWUIDTHMHDLTGI-UHFFFAOYSA-N 1 0 364.829 3.252 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC(F)(F)C1 ZINC000771062499 723727120 /nfs/dbraw/zinc/72/71/20/723727120.db2.gz ABAFZEFOZMPGGX-AWEZNQCLSA-N 1 0 358.816 3.172 20 10 FGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000773921611 723839366 /nfs/dbraw/zinc/83/93/66/723839366.db2.gz LOGSHFAQZRFDJX-LJQANCHMSA-N 1 0 351.418 3.145 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@](C)(O)C(F)(F)F ZINC000799125378 723989521 /nfs/dbraw/zinc/98/95/21/723989521.db2.gz LOUSREDJZFWXBV-GFCCVEGCSA-N 1 0 356.182 3.290 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Br)ccc1O ZINC000775526859 723998092 /nfs/dbraw/zinc/99/80/92/723998092.db2.gz MFENRBVFANXISW-WAZAZEMKSA-N 1 0 367.287 3.205 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)ccc1O ZINC000775526460 723998122 /nfs/dbraw/zinc/99/81/22/723998122.db2.gz JFDIMHPMOINRTD-MRXNPFEDSA-N 1 0 372.918 3.043 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000775726130 724031642 /nfs/dbraw/zinc/03/16/42/724031642.db2.gz WNBJRKPEKLAWGH-HNNXBMFYSA-N 1 0 358.404 3.323 20 10 FGCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](c4ccsc4)C3)cc2)CC1 ZINC000775726746 724031752 /nfs/dbraw/zinc/03/17/52/724031752.db2.gz YQNNTEQURVURAR-HXUWFJFHSA-N 1 0 357.523 3.073 20 10 FGCDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000775998508 724095791 /nfs/dbraw/zinc/09/57/91/724095791.db2.gz FQBUEOPFCMKFPG-VXGBXAGGSA-N 1 0 356.850 3.011 20 10 FGCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3c(O)cccc3Cl)C2)c1 ZINC000776231642 724121608 /nfs/dbraw/zinc/12/16/08/724121608.db2.gz LCWPXMIIXXVYPH-ZDUSSCGKSA-N 1 0 362.857 3.431 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1O ZINC000776250304 724123803 /nfs/dbraw/zinc/12/38/03/724123803.db2.gz GJZCQORPLXZDNK-OAHLLOKOSA-N 1 0 370.287 3.281 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1C(C)C ZINC000777565087 724239736 /nfs/dbraw/zinc/23/97/36/724239736.db2.gz DEZTWYOHUPJBGO-ZDUSSCGKSA-N 1 0 358.404 3.324 20 10 FGCDRO COC(=O)[C@@H]1[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770577 725038023 /nfs/dbraw/zinc/03/80/23/725038023.db2.gz UEGJEBPRQHVDNC-HOCLYGCPSA-N 1 0 351.349 3.042 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@]1(C)CCCO1 ZINC000788548857 725072003 /nfs/dbraw/zinc/07/20/03/725072003.db2.gz ULKSVSAPVHMRDE-ASKKUZCQSA-N 1 0 350.478 3.487 20 10 FGCDRO FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000806130527 725117057 /nfs/dbraw/zinc/11/70/57/725117057.db2.gz ACPPSFPZAMRZKI-ZBFHGGJFSA-N 1 0 360.445 3.439 20 10 FGCDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(Br)c1O ZINC000807416388 725160873 /nfs/dbraw/zinc/16/08/73/725160873.db2.gz DEJGOXGAPBDSBT-ZDUSSCGKSA-N 1 0 355.276 3.035 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)CCCn2ccnc2C)c1O ZINC000809753489 725265142 /nfs/dbraw/zinc/26/51/42/725265142.db2.gz UIYZECOHHKDTNA-UHFFFAOYSA-N 1 0 368.275 3.190 20 10 FGCDRO CSC1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CC[NH+](C)CC1 ZINC000810170925 725294664 /nfs/dbraw/zinc/29/46/64/725294664.db2.gz ULYHTLQVKMOMKC-UHFFFAOYSA-N 1 0 373.360 3.380 20 10 FGCDRO CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810228978 725298418 /nfs/dbraw/zinc/29/84/18/725298418.db2.gz PCXLLNVSYPICSG-CQSZACIVSA-N 1 0 365.417 3.277 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810235710 725298633 /nfs/dbraw/zinc/29/86/33/725298633.db2.gz UIHSKTWTBNHSEM-TZMCWYRMSA-N 1 0 365.417 3.419 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc1C ZINC000813788228 726914418 /nfs/dbraw/zinc/91/44/18/726914418.db2.gz AJQRPJFPJFUNTP-HOTGVXAUSA-N 1 0 352.450 3.446 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c1O ZINC000814173553 726944745 /nfs/dbraw/zinc/94/47/45/726944745.db2.gz SBHNWCDIMJPFSO-UHFFFAOYSA-N 1 0 358.825 3.196 20 10 FGCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)(F)F ZINC000815835524 727101156 /nfs/dbraw/zinc/10/11/56/727101156.db2.gz WSRQOZRMMFJZCZ-RISCZKNCSA-N 1 0 360.832 3.418 20 10 FGCDRO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816547775 727174116 /nfs/dbraw/zinc/17/41/16/727174116.db2.gz IQXRVTIVXPSBEO-UHFFFAOYSA-N 1 0 366.864 3.457 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000816662665 727187028 /nfs/dbraw/zinc/18/70/28/727187028.db2.gz UYYVYPYDUCVBEX-QGZVFWFLSA-N 1 0 372.303 3.394 20 10 FGCDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1=O ZINC000817589232 727268972 /nfs/dbraw/zinc/26/89/72/727268972.db2.gz MIAVHCGKZVVADA-NEPJUHHUSA-N 1 0 355.276 3.064 20 10 FGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000818222607 727302073 /nfs/dbraw/zinc/30/20/73/727302073.db2.gz VACBSNKIPVQKKQ-LBPRGKRZSA-N 1 0 354.376 3.053 20 10 FGCDRO CS(=O)(=O)CCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000818350560 727308884 /nfs/dbraw/zinc/30/88/84/727308884.db2.gz LKTSAAVGYGELMU-LJQANCHMSA-N 1 0 361.507 3.481 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@H]2CCCCNC2=O)cc1 ZINC000823422998 729278822 /nfs/dbraw/zinc/27/88/22/729278822.db2.gz APVZOAXZKHFJOD-IBGZPJMESA-N 1 0 357.523 3.485 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000823671212 729297620 /nfs/dbraw/zinc/29/76/20/729297620.db2.gz KCJVSJGGVSVBRB-ORDFZIBCSA-N 1 0 350.478 3.485 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCC[C@H]1C ZINC000823851594 729309198 /nfs/dbraw/zinc/30/91/98/729309198.db2.gz QCEWJKPMYJQJBL-MBOZVWFJSA-N 1 0 364.555 3.226 20 10 FGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824037302 729317008 /nfs/dbraw/zinc/31/70/08/729317008.db2.gz IUXWMUPNMUQHJE-MOPGFXCFSA-N 1 0 357.523 3.389 20 10 FGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)C(N)=O ZINC000824608148 729350287 /nfs/dbraw/zinc/35/02/87/729350287.db2.gz BJRCGWFVHFUMCJ-LBPRGKRZSA-N 1 0 369.303 3.268 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCOc2ccc(Cl)c(F)c2)cc1OC ZINC000824789916 729358958 /nfs/dbraw/zinc/35/89/58/729358958.db2.gz JFXIQISTFJXLDR-UHFFFAOYSA-N 1 0 355.793 3.371 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000824914325 729365018 /nfs/dbraw/zinc/36/50/18/729365018.db2.gz PIJWFEPXZXGYMT-CYBMUJFWSA-N 1 0 358.301 3.491 20 10 FGCDRO O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCN1C1CCCCC1 ZINC000825365151 729380405 /nfs/dbraw/zinc/38/04/05/729380405.db2.gz GBQHILXRCZCSPV-HNNXBMFYSA-N 1 0 367.287 3.178 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1Cl ZINC000825425493 729382883 /nfs/dbraw/zinc/38/28/83/729382883.db2.gz ACFMJHZGDWYBOP-UHFFFAOYSA-N 1 0 352.906 3.479 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1Cl ZINC000825903413 729398991 /nfs/dbraw/zinc/39/89/91/729398991.db2.gz GSUATIXGZDLHOK-UHFFFAOYSA-N 1 0 366.874 3.056 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2cc(Cl)cs2)cc1 ZINC000832272738 729701326 /nfs/dbraw/zinc/70/13/26/729701326.db2.gz JQKXLGMPECLZEM-MRXNPFEDSA-N 1 0 351.903 3.216 20 10 FGCDRO CN1CCN([C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)c2cccs2)CC1 ZINC000834487773 729807477 /nfs/dbraw/zinc/80/74/77/729807477.db2.gz LQPDVYAKTZBTQO-SJORKVTESA-N 1 0 357.523 3.019 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)ccc1O ZINC000834828217 729837512 /nfs/dbraw/zinc/83/75/12/729837512.db2.gz QPLMBLNEQMTVLY-RYUDHWBXSA-N 1 0 351.855 3.267 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000834836102 729838089 /nfs/dbraw/zinc/83/80/89/729838089.db2.gz LJRFVLJYELZVHE-CLTVBZQCSA-N 1 0 355.475 3.273 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Br)ccc1O ZINC000834849781 729838952 /nfs/dbraw/zinc/83/89/52/729838952.db2.gz FLCJBMVEFVIZBR-HOCLYGCPSA-N 1 0 371.319 3.042 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C)n1 ZINC000840725628 730166375 /nfs/dbraw/zinc/16/63/75/730166375.db2.gz BSSNYIQXFLZAJE-KGLIPLIRSA-N 1 0 350.413 3.341 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)c(Cl)c1 ZINC000840877442 730186917 /nfs/dbraw/zinc/18/69/17/730186917.db2.gz XPWIPCHOKJBFMR-UHFFFAOYSA-N 1 0 360.885 3.476 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(Cl)c1 ZINC000840942117 730194778 /nfs/dbraw/zinc/19/47/78/730194778.db2.gz SSTGTMVUXUUCFH-UHFFFAOYSA-N 1 0 374.934 3.036 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000840960224 730197686 /nfs/dbraw/zinc/19/76/86/730197686.db2.gz GYGJGDZQJXTAHJ-UHFFFAOYSA-N 1 0 366.449 3.074 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cc(C)cc(N)c2)c1O ZINC000841071266 730207756 /nfs/dbraw/zinc/20/77/56/730207756.db2.gz LPTBXBGDYWPFBC-UHFFFAOYSA-N 1 0 351.244 3.344 20 10 FGCDRO COc1cc(Br)cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841085970 730209199 /nfs/dbraw/zinc/20/91/99/730209199.db2.gz DTZZMDQVAOJZKH-DOMZBBRYSA-N 1 0 369.303 3.127 20 10 FGCDRO Fc1cc(C[N@@H+]2CCSC[C@H]2C2CCC2)ccc1N1CCOCC1 ZINC000841894617 730283436 /nfs/dbraw/zinc/28/34/36/730283436.db2.gz ZZARCQXDFYLIJO-IBGZPJMESA-N 1 0 350.503 3.380 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125004 730588499 /nfs/dbraw/zinc/58/84/99/730588499.db2.gz KXVFDXRNXNSUDD-UONOGXRCSA-N 1 0 353.304 3.285 20 10 FGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126639 730588748 /nfs/dbraw/zinc/58/87/48/730588748.db2.gz MLIRQBBIICTLNC-KBPBESRZSA-N 1 0 353.304 3.366 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843126598 730588768 /nfs/dbraw/zinc/58/87/68/730588768.db2.gz LBUBYAAGNGEDOE-STQMWFEESA-N 1 0 353.850 3.165 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1O ZINC000846142523 730931731 /nfs/dbraw/zinc/93/17/31/730931731.db2.gz AQIAVHMCNUMGQO-DOMZBBRYSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c1O ZINC000846162417 730932934 /nfs/dbraw/zinc/93/29/34/730932934.db2.gz HAUJZOYUWUEHBW-ZDUSSCGKSA-N 1 0 350.459 3.499 20 10 FGCDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848513872 731173840 /nfs/dbraw/zinc/17/38/40/731173840.db2.gz HWJMCIXNKQTNCQ-AAEUAGOBSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000848524584 731175139 /nfs/dbraw/zinc/17/51/39/731175139.db2.gz HDDQHCMOCQLANC-GHMZBOCLSA-N 1 0 366.259 3.235 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)c1O ZINC000848528851 731176090 /nfs/dbraw/zinc/17/60/90/731176090.db2.gz ILAZUYZUZIMKLH-MFKMUULPSA-N 1 0 370.243 3.449 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cc(C)ncn2)c1O ZINC000848535668 731177688 /nfs/dbraw/zinc/17/76/88/731177688.db2.gz FRMYSMSXODICKY-JTQLQIEISA-N 1 0 352.232 3.113 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](OC)C(F)(F)F)c1O ZINC000848540878 731178387 /nfs/dbraw/zinc/17/83/87/731178387.db2.gz JDCCQBQJHXVQFE-CPCISQLKSA-N 1 0 372.181 3.391 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1O ZINC000848558059 731181516 /nfs/dbraw/zinc/18/15/16/731181516.db2.gz MVVVZIKEANPUPE-IGQOVBAYSA-N 1 0 371.319 3.303 20 10 FGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000848910399 731219425 /nfs/dbraw/zinc/21/94/25/731219425.db2.gz KSHBRUFGQMELDH-ZDUSSCGKSA-N 1 0 358.404 3.235 20 10 FGCDRO CCc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1O ZINC000848907962 731219514 /nfs/dbraw/zinc/21/95/14/731219514.db2.gz VWGAAWQWGMITOK-ZDUSSCGKSA-N 1 0 353.384 3.313 20 10 FGCDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000848986876 731223781 /nfs/dbraw/zinc/22/37/81/731223781.db2.gz JEDDSPRENNEAJH-ZIAGYGMSSA-N 1 0 352.910 3.225 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000849349667 731251169 /nfs/dbraw/zinc/25/11/69/731251169.db2.gz HIYTZGNEZCNFQB-IAGOWNOFSA-N 1 0 361.283 3.390 20 10 FGCDRO COc1cc(Cl)cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1O ZINC000849350120 731251514 /nfs/dbraw/zinc/25/15/14/731251514.db2.gz QKFRUBWOYOBRQO-IAGOWNOFSA-N 1 0 364.848 3.429 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4ccc(Cl)cn34)C2)cc1 ZINC000850346499 731345228 /nfs/dbraw/zinc/34/52/28/731345228.db2.gz GNSYTIRGONJUTN-OAHLLOKOSA-N 1 0 356.857 3.365 20 10 FGCDRO COc1cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850349851 731346220 /nfs/dbraw/zinc/34/62/20/731346220.db2.gz LLPQOXXWMBIXQD-DEOSSOPVSA-N 1 0 367.433 3.099 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1F ZINC000850353340 731346834 /nfs/dbraw/zinc/34/68/34/731346834.db2.gz APQDQMSVZOEKEO-YQVWRLOYSA-N 1 0 352.494 3.328 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCC2SCCS2)c1O ZINC000850407761 731353346 /nfs/dbraw/zinc/35/33/46/731353346.db2.gz PQUFLSBRLABDJK-UHFFFAOYSA-N 1 0 364.330 3.449 20 10 FGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCC1 ZINC000850426067 731355844 /nfs/dbraw/zinc/35/58/44/731355844.db2.gz ZSLDALDNNXIMNC-XHSDSOJGSA-N 1 0 350.478 3.487 20 10 FGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCC1 ZINC000850426064 731355908 /nfs/dbraw/zinc/35/59/08/731355908.db2.gz ZSLDALDNNXIMNC-OWCLPIDISA-N 1 0 350.478 3.487 20 10 FGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1O)[C@H]1CCOC1 ZINC000850484716 731361735 /nfs/dbraw/zinc/36/17/35/731361735.db2.gz OXLFGKJYFYUXIP-TYNCELHUSA-N 1 0 358.276 3.165 20 10 FGCDRO COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000850489092 731362757 /nfs/dbraw/zinc/36/27/57/731362757.db2.gz QLHRQDGIWYVQLG-ZFWWWQNUSA-N 1 0 360.479 3.473 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(Br)ccc1O ZINC000850503641 731365877 /nfs/dbraw/zinc/36/58/77/731365877.db2.gz YGJIDLSYZUBSQU-MNIFOHHSSA-N 1 0 360.317 3.495 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000851657746 731482389 /nfs/dbraw/zinc/48/23/89/731482389.db2.gz LPSCKQTYRPKCQZ-HNNXBMFYSA-N 1 0 368.572 3.047 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc2Cl)C1 ZINC000851660415 731482841 /nfs/dbraw/zinc/48/28/41/731482841.db2.gz NLGUVWUPYJQAJM-AWEZNQCLSA-N 1 0 366.937 3.455 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 ZINC000852791254 731636034 /nfs/dbraw/zinc/63/60/34/731636034.db2.gz FKNMWDNJPKZEEZ-JFIYKMOQSA-N 1 0 351.441 3.084 20 10 FGCDRO CN(CCC[NH2+]Cc1c(O)cccc1Br)CC(F)(F)F ZINC000858098353 732180222 /nfs/dbraw/zinc/18/02/22/732180222.db2.gz LNVNKTRPWDIOKL-UHFFFAOYSA-N 1 0 355.198 3.129 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000858151158 732186415 /nfs/dbraw/zinc/18/64/15/732186415.db2.gz WAPZPUSFEVMZJI-IAQYHMDHSA-N 1 0 358.301 3.299 20 10 FGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1O ZINC000858564202 732227349 /nfs/dbraw/zinc/22/73/49/732227349.db2.gz HODFNXKLNKYLRF-NSHDSACASA-N 1 0 362.813 3.106 20 10 FGCDRO CC(C)(CO)[C@H]([NH2+]Cc1c(O)cccc1Br)c1cccnc1 ZINC000862379766 732820135 /nfs/dbraw/zinc/82/01/35/732820135.db2.gz OGWBDTUGQJLCBN-MRXNPFEDSA-N 1 0 365.271 3.399 20 10 FGCDRO Fc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cnc1Cl ZINC000865418974 733196221 /nfs/dbraw/zinc/19/62/21/733196221.db2.gz QQBBYWQRJGIQKL-UHFFFAOYSA-N 1 0 353.800 3.140 20 10 FGCDRO Fc1cc(C[NH2+]CCSCCC(F)(F)F)ccc1N1CCOCC1 ZINC000865788341 733269915 /nfs/dbraw/zinc/26/99/15/733269915.db2.gz MUIDRPWEPBWYHY-UHFFFAOYSA-N 1 0 366.424 3.438 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000866548368 733364848 /nfs/dbraw/zinc/36/48/48/733364848.db2.gz JISTZOWCPHABJT-MGPQQGTHSA-N 1 0 350.459 3.355 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000872111854 735589699 /nfs/dbraw/zinc/58/96/99/735589699.db2.gz GSVZTFWZEYQHBP-RYUDHWBXSA-N 1 0 356.260 3.457 20 10 FGCDRO CCc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794426 735677574 /nfs/dbraw/zinc/67/75/74/735677574.db2.gz IXARGXYXAIRMPF-WBVHZDCISA-N 1 0 365.539 3.119 20 10 FGCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000876714319 736135602 /nfs/dbraw/zinc/13/56/02/736135602.db2.gz ZLIMZLFEMAQVAV-MRXNPFEDSA-N 1 0 351.372 3.088 20 10 FGCDRO Cc1cc(CC[NH2+]CC2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000876902218 736160808 /nfs/dbraw/zinc/16/08/08/736160808.db2.gz BWFGCGYJBVBRDL-UHFFFAOYSA-N 1 0 360.523 3.051 20 10 FGCDRO CO[C@H]1C[C@H]2C[N@H+](Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687898 736704855 /nfs/dbraw/zinc/70/48/55/736704855.db2.gz NFAMACDFUJXEJN-GJZGRUSLSA-N 1 0 359.857 3.050 20 10 FGCDRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000878241100 736794017 /nfs/dbraw/zinc/79/40/17/736794017.db2.gz BMSFOPPDPOWLRN-GFCCVEGCSA-N 1 0 362.451 3.008 20 10 FGCDRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879649753 737022758 /nfs/dbraw/zinc/02/27/58/737022758.db2.gz FUTRRZKCNGRRKE-RYUDHWBXSA-N 1 0 362.451 3.227 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)CC(F)F)cc2)CC1 ZINC000881848550 737389647 /nfs/dbraw/zinc/38/96/47/737389647.db2.gz BGCGQEGTRPUOOC-UHFFFAOYSA-N 1 0 353.457 3.126 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2coc(C(F)F)c2)[NH+](C)C)cc1 ZINC000891247206 739885848 /nfs/dbraw/zinc/88/58/48/739885848.db2.gz RKHBHTAIMNFQRR-OAHLLOKOSA-N 1 0 351.397 3.316 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000892812345 740046651 /nfs/dbraw/zinc/04/66/51/740046651.db2.gz MBUDDSGZROVZRK-SUMWQHHRSA-N 1 0 353.304 3.427 20 10 FGCDRO Cc1noc2ncc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cc12 ZINC000894189654 742250767 /nfs/dbraw/zinc/25/07/67/742250767.db2.gz CWTVDHWYUDHUFO-UHFFFAOYSA-N 1 0 354.479 3.374 20 10 FGCDRO CC[N@H+](CCNC(=O)NCc1cccc(Cl)c1O)CCC(F)(F)F ZINC000894429195 742282441 /nfs/dbraw/zinc/28/24/41/742282441.db2.gz CHVGFOZEPGTNRM-UHFFFAOYSA-N 1 0 367.799 3.119 20 10 FGCDRO C[NH+](C)CC[C@@H](NCc1ccc(Br)cc1O)c1cccnc1 ZINC000896716379 742588541 /nfs/dbraw/zinc/58/85/41/742588541.db2.gz IAGSMXAQCVFIFE-MRXNPFEDSA-N 1 0 364.287 3.332 20 10 FGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000897576241 742691556 /nfs/dbraw/zinc/69/15/56/742691556.db2.gz CINIWQGELVQWAH-LBPRGKRZSA-N 1 0 366.259 3.301 20 10 FGCDRO Cn1nc(C[NH2+]Cc2ccc(Br)cc2O)cc1C(F)(F)F ZINC000898021081 742734423 /nfs/dbraw/zinc/73/44/23/742734423.db2.gz SUDRLAKZVRXTFY-UHFFFAOYSA-N 1 0 364.165 3.197 20 10 FGCDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000899019094 742856500 /nfs/dbraw/zinc/85/65/00/742856500.db2.gz FIORIIUZPVQLPD-CYBMUJFWSA-N 1 0 360.479 3.164 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1 ZINC000903436025 743851363 /nfs/dbraw/zinc/85/13/63/743851363.db2.gz TYIPIBNWYBIRBQ-CHWSQXEVSA-N 1 0 362.861 3.088 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1O ZINC000903478568 743854896 /nfs/dbraw/zinc/85/48/96/743854896.db2.gz GZJBZKJFCZNXKC-GHMZBOCLSA-N 1 0 366.259 3.025 20 10 FGCDRO OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924717429 759375660 /nfs/dbraw/zinc/37/56/60/759375660.db2.gz URQWGNAKYFQNRL-MJGOQNOKSA-N 1 0 350.478 3.083 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000925778162 759535804 /nfs/dbraw/zinc/53/58/04/759535804.db2.gz RRHHCCFFZQXPTK-RKDXNWHRSA-N 1 0 367.209 3.189 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(C(F)(F)F)cc1O ZINC000927148334 759907445 /nfs/dbraw/zinc/90/74/45/759907445.db2.gz WMKYHTHDBZJYDX-YPMHNXCESA-N 1 0 354.376 3.138 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1O ZINC000779030643 724382461 /nfs/dbraw/zinc/38/24/61/724382461.db2.gz CTLIMRWLWSQLDR-LLVKDONJSA-N 1 0 355.276 3.173 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1O ZINC000092967176 494797271 /nfs/dbraw/zinc/79/72/71/494797271.db2.gz ZPXFZYBOCVXSNZ-CQSZACIVSA-N 1 0 366.259 3.197 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(O)c1 ZINC000093134353 494832172 /nfs/dbraw/zinc/83/21/72/494832172.db2.gz FPQUDEMERFMSCX-MRXNPFEDSA-N 1 0 356.470 3.098 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000121772992 494856706 /nfs/dbraw/zinc/85/67/06/494856706.db2.gz FUWSHFFLPMMJQH-INIZCTEOSA-N 1 0 352.438 3.213 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+]CC3=Cc4ccccc4OC3)cc2)CC1 ZINC000102424256 495136320 /nfs/dbraw/zinc/13/63/20/495136320.db2.gz PYBGQRHQZMHZNY-UHFFFAOYSA-N 1 0 364.489 3.461 20 10 FGCDRO O=C(CC(F)(F)F)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129957857 495319899 /nfs/dbraw/zinc/31/98/99/495319899.db2.gz SWNKHZKLYFVMDQ-LBPRGKRZSA-N 1 0 350.768 3.079 20 10 FGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c(O)c1O ZINC000179529597 495628713 /nfs/dbraw/zinc/62/87/13/495628713.db2.gz ZWAQSCNLXSYYFA-GOSISDBHSA-N 1 0 368.477 3.390 20 10 FGCDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(Br)cc1O ZINC000186092071 495851977 /nfs/dbraw/zinc/85/19/77/495851977.db2.gz NTNXCTXGWDQLHW-NSHDSACASA-N 1 0 355.276 3.112 20 10 FGCDRO CC[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1O ZINC000155236427 495887376 /nfs/dbraw/zinc/88/73/76/495887376.db2.gz BZPOCAYFVROOLH-HXUWFJFHSA-N 1 0 368.477 3.333 20 10 FGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(-n2ccnc2)nc1)C[C@H]1CCCO1 ZINC000177153377 495950552 /nfs/dbraw/zinc/95/05/52/495950552.db2.gz RSLWXQOLNQOHEU-LJQANCHMSA-N 1 0 364.449 3.154 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381308 495955656 /nfs/dbraw/zinc/95/56/56/495955656.db2.gz HXPZUZSXDALKTA-AWEZNQCLSA-N 1 0 368.437 3.183 20 10 FGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)ccc1S(C)(=O)=O ZINC000160540292 495987156 /nfs/dbraw/zinc/98/71/56/495987156.db2.gz MICXFIZTLBQUKY-CQSZACIVSA-N 1 0 362.495 3.016 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000181120573 496278096 /nfs/dbraw/zinc/27/80/96/496278096.db2.gz GBIIWNZMGLDFIQ-UHFFFAOYSA-N 1 0 355.360 3.453 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1OC ZINC000181614973 496471941 /nfs/dbraw/zinc/47/19/41/496471941.db2.gz WPCPFIAOUHYVNK-INIZCTEOSA-N 1 0 360.454 3.319 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175634492 496475023 /nfs/dbraw/zinc/47/50/23/496475023.db2.gz MUSDBYHPBKIFLO-UHFFFAOYSA-N 1 0 370.541 3.493 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCN1C ZINC000157714513 496536622 /nfs/dbraw/zinc/53/66/22/496536622.db2.gz RMQAOLFNRMGNIL-HOCLYGCPSA-N 1 0 353.457 3.329 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904044 496578893 /nfs/dbraw/zinc/57/88/93/496578893.db2.gz HTNAPOWDIDQJLR-UZLBHIALSA-N 1 0 356.466 3.125 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)c3cc(C)oc3C)CC2)cc1 ZINC000164123304 496587351 /nfs/dbraw/zinc/58/73/51/496587351.db2.gz GRSOTJQXUFHFGI-OAQYLSRUSA-N 1 0 358.482 3.371 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)ccc1O ZINC000185118474 496668169 /nfs/dbraw/zinc/66/81/69/496668169.db2.gz DTJDPEBBHXVKTL-ZDUSSCGKSA-N 1 0 362.420 3.482 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000185131778 496673839 /nfs/dbraw/zinc/67/38/39/496673839.db2.gz HTOZGTLCEYBKIN-JLTOFOAXSA-N 1 0 370.449 3.369 20 10 FGCDRO CCCN(Cc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(C[NH3+])cc1 ZINC000194977132 496779839 /nfs/dbraw/zinc/77/98/39/496779839.db2.gz GZWIWURQJXUBDV-UHFFFAOYSA-N 1 0 364.493 3.360 20 10 FGCDRO O=C(NCc1ccccc1O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000264823333 496992378 /nfs/dbraw/zinc/99/23/78/496992378.db2.gz YHKJRECNLDPSSY-IHWFROFDSA-N 1 0 365.477 3.387 20 10 FGCDRO COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000278430993 497111787 /nfs/dbraw/zinc/11/17/87/497111787.db2.gz UWQVSBCALNSACF-WAOWUJCRSA-N 1 0 373.493 3.368 20 10 FGCDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237585582 497259720 /nfs/dbraw/zinc/25/97/20/497259720.db2.gz KQXSMSHHRIYFJH-DYESRHJHSA-N 1 0 351.494 3.323 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(Br)cc1O ZINC000279007600 497300496 /nfs/dbraw/zinc/30/04/96/497300496.db2.gz SKNNDMZQQGQPQB-NEPJUHHUSA-N 1 0 350.260 3.264 20 10 FGCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000190185026 497391254 /nfs/dbraw/zinc/39/12/54/497391254.db2.gz HLKNVZXQOLQNML-UHFFFAOYSA-N 1 0 356.514 3.080 20 10 FGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)c(=O)n1C ZINC000279435903 497438831 /nfs/dbraw/zinc/43/88/31/497438831.db2.gz HDQDMIUYYVXZNN-NSHDSACASA-N 1 0 351.244 3.013 20 10 FGCDRO Nc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000272707649 497708871 /nfs/dbraw/zinc/70/88/71/497708871.db2.gz JVTPCCPKZDGAKU-UHFFFAOYSA-N 1 0 350.466 3.053 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(F)c(F)c1[O-] ZINC000191209024 497743820 /nfs/dbraw/zinc/74/38/20/497743820.db2.gz KTUULPCTNZZYQS-AWEZNQCLSA-N 1 0 362.420 3.353 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(O)c1C ZINC000277140298 497753491 /nfs/dbraw/zinc/75/34/91/497753491.db2.gz CTVVPFUDDBMHLS-HNNXBMFYSA-N 1 0 368.543 3.252 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1OC ZINC000285222245 498025424 /nfs/dbraw/zinc/02/54/24/498025424.db2.gz UYFUAIGMKBBMEB-QRVBRYPASA-N 1 0 369.461 3.414 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)ccc1OC ZINC000292800296 498151812 /nfs/dbraw/zinc/15/18/12/498151812.db2.gz NOFPEAIAAQNIQE-UHFFFAOYSA-N 1 0 370.497 3.220 20 10 FGCDRO CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000285992339 498261335 /nfs/dbraw/zinc/26/13/35/498261335.db2.gz HBVOAYVHHUOFPE-IPMKNSEASA-N 1 0 350.478 3.340 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289857892 498324991 /nfs/dbraw/zinc/32/49/91/498324991.db2.gz VIEPGHQXWQQLCP-PWSUYJOCSA-N 1 0 353.768 3.047 20 10 FGCDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000290099282 498428924 /nfs/dbraw/zinc/42/89/24/498428924.db2.gz HWFLDHDBIAADOU-YCRPNKLZSA-N 1 0 359.466 3.362 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000287425235 498751783 /nfs/dbraw/zinc/75/17/83/498751783.db2.gz SMVOAXUCVKZPFC-LSDHHAIUSA-N 1 0 358.438 3.062 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1[O-] ZINC000287626908 498818553 /nfs/dbraw/zinc/81/85/53/498818553.db2.gz KCRVAUNPBJGCEC-SFHVURJKSA-N 1 0 374.916 3.433 20 10 FGCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(F)cn1 ZINC000287683933 498835823 /nfs/dbraw/zinc/83/58/23/498835823.db2.gz MTQNMVOIMLGLMW-HNNXBMFYSA-N 1 0 373.472 3.289 20 10 FGCDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366344237 498883897 /nfs/dbraw/zinc/88/38/97/498883897.db2.gz FJYSIYLNMIISCA-BLLLJJGKSA-N 1 0 373.419 3.044 20 10 FGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000283536320 498915872 /nfs/dbraw/zinc/91/58/72/498915872.db2.gz GTQVCDIFXJKCBP-GOSISDBHSA-N 1 0 368.481 3.378 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000366455908 498935527 /nfs/dbraw/zinc/93/55/27/498935527.db2.gz JYTRWWZBXLIBKI-UHFFFAOYSA-N 1 0 370.541 3.493 20 10 FGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCc4c3cnn4-c3ncccn3)ccc21 ZINC000366613948 499003194 /nfs/dbraw/zinc/00/31/94/499003194.db2.gz ZPWLJRIJOPFXDN-LJQANCHMSA-N 1 0 374.492 3.212 20 10 FGCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1O ZINC000367085841 499146609 /nfs/dbraw/zinc/14/66/09/499146609.db2.gz RNIDMSQSHCSWDX-BLLLJJGKSA-N 1 0 360.841 3.336 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 ZINC000369900935 499148506 /nfs/dbraw/zinc/14/85/06/499148506.db2.gz DFPNBIOHPBTUNJ-NWDGAFQWSA-N 1 0 354.376 3.268 20 10 FGCDRO CN1CCC([NH2+]C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000370116702 499183123 /nfs/dbraw/zinc/18/31/23/499183123.db2.gz JZYWYSGUZZWVBY-UHFFFAOYSA-N 1 0 357.420 3.238 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372854520 499184515 /nfs/dbraw/zinc/18/45/15/499184515.db2.gz DSDLZPMJRHAVQB-UTKZUKDTSA-N 1 0 353.510 3.003 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1O ZINC000370170227 499191736 /nfs/dbraw/zinc/19/17/36/499191736.db2.gz STJXBHWUDMFQHT-UHFFFAOYSA-N 1 0 368.412 3.156 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2C)cc1OC ZINC000367707861 499227110 /nfs/dbraw/zinc/22/71/10/499227110.db2.gz YMJVANRCCFIUAU-UHFFFAOYSA-N 1 0 371.412 3.332 20 10 FGCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000370661350 499241226 /nfs/dbraw/zinc/24/12/26/499241226.db2.gz QVVDDLHAQBKIPC-AUBMYDRESA-N 1 0 364.555 3.333 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)cc1 ZINC000370766344 499252658 /nfs/dbraw/zinc/25/26/58/499252658.db2.gz LRZUXHMVGJUQBY-CZAAIQMYSA-N 1 0 371.525 3.043 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000371332536 499311552 /nfs/dbraw/zinc/31/15/52/499311552.db2.gz QHWUTXDIMHFRBD-RYUDHWBXSA-N 1 0 356.260 3.022 20 10 FGCDRO Cc1cc(O)c(C[N@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)cc1C ZINC000371377641 499317145 /nfs/dbraw/zinc/31/71/45/499317145.db2.gz DTQJKRIGLYKNDM-UHFFFAOYSA-N 1 0 358.486 3.223 20 10 FGCDRO COc1cccc(C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1O ZINC000371423382 499324911 /nfs/dbraw/zinc/32/49/11/499324911.db2.gz YXLKVKFMEZXXDV-LJQANCHMSA-N 1 0 352.434 3.349 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000368753787 499328043 /nfs/dbraw/zinc/32/80/43/499328043.db2.gz MCMHZWXEPROYHM-DXCKQFNASA-N 1 0 370.287 3.452 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000371559016 499341948 /nfs/dbraw/zinc/34/19/48/499341948.db2.gz DTJNGOUGIFSEDZ-SFHVURJKSA-N 1 0 372.509 3.406 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1O ZINC000372398522 499428989 /nfs/dbraw/zinc/42/89/89/499428989.db2.gz PFSPCIZHZWSUTN-UHFFFAOYSA-N 1 0 361.467 3.098 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)ccc1O ZINC000373258505 499460269 /nfs/dbraw/zinc/46/02/69/499460269.db2.gz ZKVZOABAKRBUEO-OCCSQVGLSA-N 1 0 359.857 3.074 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)cc1F ZINC000376507062 499613576 /nfs/dbraw/zinc/61/35/76/499613576.db2.gz TZBODGRNCZIPQS-KRWDZBQOSA-N 1 0 359.489 3.115 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC=C(F)C2)C1 ZINC000444353968 500838642 /nfs/dbraw/zinc/83/86/42/500838642.db2.gz VOIOVRHGZAVPOX-UHFFFAOYSA-N 1 0 355.457 3.494 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000475189053 502093407 /nfs/dbraw/zinc/09/34/07/502093407.db2.gz DANUSZKYXLDEKA-UHFFFAOYSA-N 1 0 351.450 3.474 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000469709599 502510778 /nfs/dbraw/zinc/51/07/78/502510778.db2.gz YOAINMSIJNMIKY-UHFFFAOYSA-N 1 0 365.477 3.388 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)ccc21 ZINC000467030182 502764387 /nfs/dbraw/zinc/76/43/87/502764387.db2.gz DFGFQUNFQVCQMN-VBKZILBWSA-N 1 0 369.509 3.117 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)CC3(C)C)ccc21 ZINC000500481613 503633570 /nfs/dbraw/zinc/63/35/70/503633570.db2.gz BCCBCEABMBRNKJ-UHFFFAOYSA-N 1 0 357.498 3.071 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000527799330 503950133 /nfs/dbraw/zinc/95/01/33/503950133.db2.gz VGGWPPCBSZTUTG-CQSZACIVSA-N 1 0 364.804 3.088 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528151742 504094833 /nfs/dbraw/zinc/09/48/33/504094833.db2.gz UXRNKWCOILMJDV-GOEBONIOSA-N 1 0 361.486 3.168 20 10 FGCDRO CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528715246 504345796 /nfs/dbraw/zinc/34/57/96/504345796.db2.gz QYUVFVBTUWNQFU-UHFFFAOYSA-N 1 0 355.438 3.318 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3cccnc3C2)C1 ZINC000563019039 505022603 /nfs/dbraw/zinc/02/26/03/505022603.db2.gz STKRRLKNZYMJQQ-UHFFFAOYSA-N 1 0 374.488 3.345 20 10 FGCDRO COCC1(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCC1 ZINC000557198036 505090883 /nfs/dbraw/zinc/09/08/83/505090883.db2.gz UJNMXKGHZDPMKT-UHFFFAOYSA-N 1 0 369.509 3.093 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000820726760 606417731 /nfs/dbraw/zinc/41/77/31/606417731.db2.gz BMNBLNMENHIGKC-UHFFFAOYSA-N 1 0 368.510 3.454 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1-c1nn[nH]n1 ZINC000821611018 607113143 /nfs/dbraw/zinc/11/31/43/607113143.db2.gz NUZIAFWNFITCMB-UHFFFAOYSA-N 1 0 362.481 3.489 20 10 FGCDRO CC[N@H+](CC(=O)NC(C)(C)CC)Cc1cc(Br)ccc1O ZINC000076118580 700224530 /nfs/dbraw/zinc/22/45/30/700224530.db2.gz XYPPEBVWIUJVJF-UHFFFAOYSA-N 1 0 357.292 3.281 20 10 FGCDRO CCS[C@@H]1CCCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078650696 700284434 /nfs/dbraw/zinc/28/44/34/700284434.db2.gz NTJMIZHEEOAPGI-LJQANCHMSA-N 1 0 363.571 3.319 20 10 FGCDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000090882575 700408025 /nfs/dbraw/zinc/40/80/25/700408025.db2.gz BXRODBMRZDLZEZ-MRXNPFEDSA-N 1 0 350.528 3.152 20 10 FGCDRO C[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000091530969 700421322 /nfs/dbraw/zinc/42/13/22/700421322.db2.gz CTFTXCHAZBRJFY-UHFFFAOYSA-N 1 0 357.420 3.177 20 10 FGCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093418959 700451593 /nfs/dbraw/zinc/45/15/93/700451593.db2.gz ZHXNABRTMBUZAF-GFCCVEGCSA-N 1 0 358.276 3.412 20 10 FGCDRO COc1cc([C@@H](C)[NH2+]Cc2c(O)cccc2Cl)ccc1OCCO ZINC000113327103 700570697 /nfs/dbraw/zinc/57/06/97/700570697.db2.gz QUUPOMDKWVYBDY-GFCCVEGCSA-N 1 0 351.830 3.276 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125491109 700736476 /nfs/dbraw/zinc/73/64/76/700736476.db2.gz NTTHCFBUQCYYIW-OXJNMPFZSA-N 1 0 350.478 3.256 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)c2cccc(C)c2)c1 ZINC000155805621 705091303 /nfs/dbraw/zinc/09/13/03/705091303.db2.gz PKFPGVWRSOHMSJ-OAHLLOKOSA-N 1 0 363.479 3.224 20 10 FGCDRO COc1cc(Br)cc(CN2CCC([NH2+]C(C)C)CC2)c1O ZINC000179832431 705718108 /nfs/dbraw/zinc/71/81/08/705718108.db2.gz HGQGAFRDPPAVSD-UHFFFAOYSA-N 1 0 357.292 3.126 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000183605811 705892954 /nfs/dbraw/zinc/89/29/54/705892954.db2.gz ADHBKBXFSNRPDU-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)N1CCOCC1 ZINC000184974299 712680081 /nfs/dbraw/zinc/68/00/81/712680081.db2.gz SJIWVYHFJXFDTH-DNVCBOLYSA-N 1 0 350.503 3.188 20 10 FGCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1ccccc1Br ZINC000237463156 713592283 /nfs/dbraw/zinc/59/22/83/713592283.db2.gz CNTVFFQEOGMJKU-LBPRGKRZSA-N 1 0 364.287 3.276 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccccc1Br ZINC000237705533 713596180 /nfs/dbraw/zinc/59/61/80/713596180.db2.gz LBEUHQULCKPCCZ-CYBMUJFWSA-N 1 0 362.271 3.030 20 10 FGCDRO C[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1n1ccnc1 ZINC000245737770 713611082 /nfs/dbraw/zinc/61/10/82/713611082.db2.gz FVZKJCMLRRDUTI-IUODEOHRSA-N 1 0 350.260 3.434 20 10 FGCDRO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000246766883 713630533 /nfs/dbraw/zinc/63/05/33/713630533.db2.gz OYRANZFXBFJDEH-SJORKVTESA-N 1 0 351.512 3.405 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000382453660 713979997 /nfs/dbraw/zinc/97/99/97/713979997.db2.gz HPKSYCMDXCCURW-HIFRSBDPSA-N 1 0 350.459 3.184 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)cc1C ZINC000762098947 723214302 /nfs/dbraw/zinc/21/43/02/723214302.db2.gz MGNYSWNSLAMFDL-UHFFFAOYSA-N 1 0 351.372 3.144 20 10 FGCDRO O=C(CCCC[NH+]1CCCC1)NCc1cc(Br)ccc1O ZINC000804739363 724548496 /nfs/dbraw/zinc/54/84/96/724548496.db2.gz XKRUSANTSFZNKL-UHFFFAOYSA-N 1 0 355.276 3.037 20 10 FGCDRO Cc1cc(Br)c(O)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000781554226 724573975 /nfs/dbraw/zinc/57/39/75/724573975.db2.gz IWPZCIQDENNTHS-AWEZNQCLSA-N 1 0 372.226 3.310 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000781928523 724613351 /nfs/dbraw/zinc/61/33/51/724613351.db2.gz WXUIGQGRUMJGHP-MRXNPFEDSA-N 1 0 366.255 3.377 20 10 FGCDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000733325495 722495697 /nfs/dbraw/zinc/49/56/97/722495697.db2.gz OZQOZYAPYZGNJZ-UHFFFAOYSA-N 1 0 368.886 3.022 20 10 FGCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCOCC1 ZINC000733324319 722495700 /nfs/dbraw/zinc/49/57/00/722495700.db2.gz PEZYQGYHSKGVTE-HXUWFJFHSA-N 1 0 351.510 3.118 20 10 FGCDRO Oc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000733324913 722495708 /nfs/dbraw/zinc/49/57/08/722495708.db2.gz KBPSWLYBIUMBMV-UHFFFAOYSA-N 1 0 350.821 3.311 20 10 FGCDRO CC[N@H+](CC(=O)NC1CCCCC1)Cc1cc(Br)ccc1O ZINC000744427128 722576857 /nfs/dbraw/zinc/57/68/57/722576857.db2.gz ZGKCZRCFFVULAX-UHFFFAOYSA-N 1 0 369.303 3.426 20 10 FGCDRO CC(C)OCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752595410 722864161 /nfs/dbraw/zinc/86/41/61/722864161.db2.gz FCZNPOUZKZYTEX-KRWDZBQOSA-N 1 0 368.905 3.331 20 10 FGCDRO C[C@@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(F)(F)F ZINC000753569421 722904987 /nfs/dbraw/zinc/90/49/87/722904987.db2.gz DTAAOCRBLOAVAZ-QGZVFWFLSA-N 1 0 355.356 3.374 20 10 FGCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCC1 ZINC000754101554 722927521 /nfs/dbraw/zinc/92/75/21/722927521.db2.gz GVTVIOVTPUQSNY-NSHDSACASA-N 1 0 355.276 3.112 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000756534494 722966414 /nfs/dbraw/zinc/96/64/14/722966414.db2.gz IXEMRYGKNVTYNR-HUUCEWRRSA-N 1 0 362.495 3.363 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c1 ZINC000758528254 722991163 /nfs/dbraw/zinc/99/11/63/722991163.db2.gz OCAQPEVFMMMVIW-CQSZACIVSA-N 1 0 364.283 3.404 20 10 FGCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCSc2nccs2)C1 ZINC000759560989 723009004 /nfs/dbraw/zinc/00/90/04/723009004.db2.gz KQNPNJJZUPIYHY-HUUCEWRRSA-N 1 0 370.588 3.293 20 10 FGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000759601303 723011261 /nfs/dbraw/zinc/01/12/61/723011261.db2.gz HFESDBGAKJATPA-KGLIPLIRSA-N 1 0 356.561 3.140 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000763453404 723344033 /nfs/dbraw/zinc/34/40/33/723344033.db2.gz RXTAZQSORFACIU-VQIMIIECSA-N 1 0 365.832 3.449 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000793216426 723412419 /nfs/dbraw/zinc/41/24/19/723412419.db2.gz AMJULEALIFYBOL-LLVKDONJSA-N 1 0 373.291 3.466 20 10 FGCDRO COc1cccc(O)c1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000793233958 723414617 /nfs/dbraw/zinc/41/46/17/723414617.db2.gz XBKXTWWKCULMAW-UHFFFAOYSA-N 1 0 358.404 3.296 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000793609572 723454270 /nfs/dbraw/zinc/45/42/70/723454270.db2.gz OWGSAHTUONABGZ-ZIAGYGMSSA-N 1 0 356.260 3.307 20 10 FGCDRO CN(C[C@@H]1C[C@H](F)CN1Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000793618616 723455920 /nfs/dbraw/zinc/45/59/20/723455920.db2.gz VWODXESIPNAFBR-GJZGRUSLSA-N 1 0 356.413 3.311 20 10 FGCDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765257155 723498647 /nfs/dbraw/zinc/49/86/47/723498647.db2.gz XFONGEMQRHXHEN-DOTOQJQBSA-N 1 0 363.571 3.398 20 10 FGCDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765362188 723508351 /nfs/dbraw/zinc/50/83/51/723508351.db2.gz FVCTYCCZOQEPLJ-GFCCVEGCSA-N 1 0 366.811 3.406 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NC(C)(C)C ZINC000765422631 723511877 /nfs/dbraw/zinc/51/18/77/723511877.db2.gz BCZYQHZJUBALCI-KBPBESRZSA-N 1 0 367.921 3.130 20 10 FGCDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765425311 723512344 /nfs/dbraw/zinc/51/23/44/723512344.db2.gz OTDMNUDUZPKVJI-CHWSQXEVSA-N 1 0 364.383 3.280 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2nsnc21 ZINC000766005813 723551110 /nfs/dbraw/zinc/55/11/10/723551110.db2.gz JBVRPXYENHGMHI-UHFFFAOYSA-N 1 0 354.479 3.160 20 10 FGCDRO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768445853 723657983 /nfs/dbraw/zinc/65/79/83/723657983.db2.gz JSTKHUCORZYGCV-PKOBYXMFSA-N 1 0 357.475 3.417 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463443 723658348 /nfs/dbraw/zinc/65/83/48/723658348.db2.gz TYDTZWGOYAXAPN-GUYCJALGSA-N 1 0 361.825 3.125 20 10 FGCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c(O)c1 ZINC000769103032 723676973 /nfs/dbraw/zinc/67/69/73/723676973.db2.gz UGXDVJFPJGHCRM-UHFFFAOYSA-N 1 0 360.479 3.247 20 10 FGCDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769548190 723689431 /nfs/dbraw/zinc/68/94/31/723689431.db2.gz HVTCYFDJRDCCFR-AZUAARDMSA-N 1 0 350.478 3.298 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000770285208 723710330 /nfs/dbraw/zinc/71/03/30/723710330.db2.gz DSUOVGVUKUVWDA-RISCZKNCSA-N 1 0 356.260 3.164 20 10 FGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043640 723775231 /nfs/dbraw/zinc/77/52/31/723775231.db2.gz DTJQERZUDPJLFH-YOEHRIQHSA-N 1 0 364.486 3.416 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 ZINC000773082905 723776270 /nfs/dbraw/zinc/77/62/70/723776270.db2.gz XLXVXZWOBBPHLB-FXAWDEMLSA-N 1 0 362.539 3.308 20 10 FGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775143781 723963637 /nfs/dbraw/zinc/96/36/37/723963637.db2.gz BYYIVPYYAXCCMU-RNCFNFMXSA-N 1 0 368.193 3.290 20 10 FGCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000775258817 723974230 /nfs/dbraw/zinc/97/42/30/723974230.db2.gz JZLIPGZQUYXFKK-AWEZNQCLSA-N 1 0 360.479 3.222 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000798955514 723979260 /nfs/dbraw/zinc/97/92/60/723979260.db2.gz QZNIWYAGZREIBS-UHFFFAOYSA-N 1 0 362.857 3.181 20 10 FGCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775368712 723986049 /nfs/dbraw/zinc/98/60/49/723986049.db2.gz HIGMRCOCFXLWHG-UYAOXDASSA-N 1 0 350.478 3.346 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1cc(Br)ccc1O ZINC000775526965 723998148 /nfs/dbraw/zinc/99/81/48/723998148.db2.gz UNJMUEKKKZWHTN-KWCYVHTRSA-N 1 0 355.276 3.110 20 10 FGCDRO CCOC(=O)CC[N@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000775662238 724018372 /nfs/dbraw/zinc/01/83/72/724018372.db2.gz BZUPQUKYZKGNDA-UHFFFAOYSA-N 1 0 356.260 3.381 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1 ZINC000776175826 724116297 /nfs/dbraw/zinc/11/62/97/724116297.db2.gz UHNLCMVPHCMOFB-KRWDZBQOSA-N 1 0 355.356 3.417 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000776216104 724119900 /nfs/dbraw/zinc/11/99/00/724119900.db2.gz NDDATTCRVXFALH-FQEVSTJZSA-N 1 0 360.885 3.081 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)cc1OC ZINC000776219699 724120858 /nfs/dbraw/zinc/12/08/58/724120858.db2.gz GUSAJYPDTWVBAG-MGNBDDOMSA-N 1 0 369.820 3.414 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000786964323 725010403 /nfs/dbraw/zinc/01/04/03/725010403.db2.gz XMSMPWQRXPMAAK-CYBMUJFWSA-N 1 0 352.525 3.459 20 10 FGCDRO CC1(C)CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449142 725028799 /nfs/dbraw/zinc/02/87/99/725028799.db2.gz JFHSOVVUBALPFF-NVXWUHKLSA-N 1 0 366.889 3.084 20 10 FGCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCCCSc1nccs1 ZINC000788315825 725057564 /nfs/dbraw/zinc/05/75/64/725057564.db2.gz CYJNGUXGHXTVTJ-UHFFFAOYSA-N 1 0 356.561 3.143 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1O ZINC000808713050 725214607 /nfs/dbraw/zinc/21/46/07/725214607.db2.gz DXXSEVPCFOKKTF-AWEZNQCLSA-N 1 0 361.873 3.436 20 10 FGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc(Br)ccc1O ZINC000808729862 725215172 /nfs/dbraw/zinc/21/51/72/725215172.db2.gz QLTNXMQXNNHVDE-NCAQKEMTSA-N 1 0 364.239 3.300 20 10 FGCDRO O=S1(=O)CCN(c2ccc(C[NH2+]CCC3CCCCCC3)cc2)CC1 ZINC000809618733 725252703 /nfs/dbraw/zinc/25/27/03/725252703.db2.gz LUGWRMWTOSFKME-UHFFFAOYSA-N 1 0 364.555 3.372 20 10 FGCDRO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cc3c(cc2O)OCO3)C1 ZINC000809768557 725266530 /nfs/dbraw/zinc/26/65/30/725266530.db2.gz ONJQIPHNVABMLU-DZGCQCFKSA-N 1 0 359.447 3.122 20 10 FGCDRO COc1cc(Cl)cc(C[N@H+](C)CCn2cc(Br)cn2)c1O ZINC000809793340 725269363 /nfs/dbraw/zinc/26/93/63/725269363.db2.gz WJZRXYKCSXGJNV-UHFFFAOYSA-N 1 0 374.666 3.145 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810219444 725297581 /nfs/dbraw/zinc/29/75/81/725297581.db2.gz RUZYWZXWRLRHAW-CZUORRHYSA-N 1 0 360.420 3.420 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1F ZINC000811877334 725383766 /nfs/dbraw/zinc/38/37/66/725383766.db2.gz LNAOOGJHKSGOPQ-HNNXBMFYSA-N 1 0 352.498 3.200 20 10 FGCDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+](C2CCC2)C1 ZINC000813681419 726904678 /nfs/dbraw/zinc/90/46/78/726904678.db2.gz ORMWKUQMTAOXHX-AWEZNQCLSA-N 1 0 368.572 3.141 20 10 FGCDRO Cc1cc(C[N@H+](C)CCn2cc(Br)cn2)ccc1N(C)C ZINC000815120351 727040930 /nfs/dbraw/zinc/04/09/30/727040930.db2.gz PWWIVKSLECXKFN-UHFFFAOYSA-N 1 0 351.292 3.152 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000816662664 727187284 /nfs/dbraw/zinc/18/72/84/727187284.db2.gz UYYVYPYDUCVBEX-KRWDZBQOSA-N 1 0 372.303 3.394 20 10 FGCDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000817409957 727248319 /nfs/dbraw/zinc/24/83/19/727248319.db2.gz HGQPPBVFWSOJAB-CYBMUJFWSA-N 1 0 357.420 3.120 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817419231 727249972 /nfs/dbraw/zinc/24/99/72/727249972.db2.gz RCXPZUKFOHLAHI-LBPRGKRZSA-N 1 0 358.276 3.148 20 10 FGCDRO CN1CCO[C@@H]([C@@H]([NH2+]CCc2ccc(N)cc2)c2ccc(Cl)cc2)C1 ZINC000817958778 727289501 /nfs/dbraw/zinc/28/95/01/727289501.db2.gz YDQUYLNWMRLHOE-UXHICEINSA-N 1 0 359.901 3.126 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000818941727 727328777 /nfs/dbraw/zinc/32/87/77/727328777.db2.gz PGQDIOFCNUXXGV-KRWDZBQOSA-N 1 0 367.262 3.477 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl ZINC000818972721 727332635 /nfs/dbraw/zinc/33/26/35/727332635.db2.gz IKPBKYZNJGGGLE-IBGZPJMESA-N 1 0 364.848 3.139 20 10 FGCDRO CC(C)N1CC[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1=O ZINC000823893131 729311644 /nfs/dbraw/zinc/31/16/44/729311644.db2.gz SAFSXWHUJIMGLJ-IBGZPJMESA-N 1 0 357.523 3.483 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC000824321345 729330659 /nfs/dbraw/zinc/33/06/59/729330659.db2.gz QIWQYASTKNRHPI-OAHLLOKOSA-N 1 0 352.475 3.287 20 10 FGCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3ccc(Cl)nn3)CC2)cc1 ZINC000876998128 736173209 /nfs/dbraw/zinc/17/32/09/736173209.db2.gz CJPALGUQGKTFDE-UHFFFAOYSA-N 1 0 368.815 3.490 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCc2scnc2C)c1O ZINC000824733048 729357104 /nfs/dbraw/zinc/35/71/04/729357104.db2.gz GWQMLUYKTAFEBP-UHFFFAOYSA-N 1 0 357.273 3.261 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000824862062 729362880 /nfs/dbraw/zinc/36/28/80/729362880.db2.gz UWAKLCDBNAKQBD-MRXNPFEDSA-N 1 0 357.328 3.123 20 10 FGCDRO COc1cc(C[NH+]2CCC(OCCCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000824869659 729363136 /nfs/dbraw/zinc/36/31/36/729363136.db2.gz FEDVGZYLWRCTCZ-UHFFFAOYSA-N 1 0 351.487 3.062 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1Cl ZINC000825071191 729369770 /nfs/dbraw/zinc/36/97/70/729369770.db2.gz QOBWEHKJPTWSLR-UHFFFAOYSA-N 1 0 354.859 3.015 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124813 729372129 /nfs/dbraw/zinc/37/21/29/729372129.db2.gz YRMCJJWLQHVPRL-ZANVPECISA-N 1 0 368.193 3.208 20 10 FGCDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1=O ZINC000825337071 729379398 /nfs/dbraw/zinc/37/93/98/729379398.db2.gz HUCKSLYZCSFUJG-OAHLLOKOSA-N 1 0 360.841 3.258 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827856428 729436092 /nfs/dbraw/zinc/43/60/92/729436092.db2.gz OUJKUKCUNHDCQM-OAHLLOKOSA-N 1 0 371.319 3.006 20 10 FGCDRO Cc1cc([C@@H]([NH3+])CC(=O)NCCCSc2nccs2)cc(Cl)n1 ZINC000829528495 729487951 /nfs/dbraw/zinc/48/79/51/729487951.db2.gz OTARRLXJVSZBGS-LBPRGKRZSA-N 1 0 370.931 3.188 20 10 FGCDRO Cc1nc(CC(C)C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832267527 729701070 /nfs/dbraw/zinc/70/10/70/729701070.db2.gz UOGJEARPMSVAOQ-INIZCTEOSA-N 1 0 360.527 3.146 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000832292953 729703204 /nfs/dbraw/zinc/70/32/04/729703204.db2.gz NXUPBYXZFITSQV-KRWDZBQOSA-N 1 0 366.292 3.418 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000834882405 729842080 /nfs/dbraw/zinc/84/20/80/729842080.db2.gz PJFFVUOVCMPKFP-OAHLLOKOSA-N 1 0 362.495 3.110 20 10 FGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000835058564 729854163 /nfs/dbraw/zinc/85/41/63/729854163.db2.gz QPSLRCHXUQOYCA-LJQANCHMSA-N 1 0 360.523 3.434 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000840797092 730175287 /nfs/dbraw/zinc/17/52/87/730175287.db2.gz PTAPGGVXPYWXPW-XJKSGUPXSA-N 1 0 369.889 3.420 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c(Cl)c1 ZINC000840946118 730194904 /nfs/dbraw/zinc/19/49/04/730194904.db2.gz ITGOXZHGTZLXLU-UHFFFAOYSA-N 1 0 366.874 3.056 20 10 FGCDRO COCC1CCC([NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000840963375 730198340 /nfs/dbraw/zinc/19/83/40/730198340.db2.gz RPRAPRCIVRHJPL-UHFFFAOYSA-N 1 0 358.276 3.458 20 10 FGCDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841023735 730204449 /nfs/dbraw/zinc/20/44/49/730204449.db2.gz DMQSLAUGEGIELA-BBRMVZONSA-N 1 0 352.320 3.361 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(Br)cc2F)cc1 ZINC000841041849 730205368 /nfs/dbraw/zinc/20/53/68/730205368.db2.gz FSVLPLCQLNZACG-QGZVFWFLSA-N 1 0 366.278 3.444 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(Br)s2)cc1 ZINC000841042025 730205513 /nfs/dbraw/zinc/20/55/13/730205513.db2.gz GUTYBLMELYAEOL-AWEZNQCLSA-N 1 0 354.317 3.366 20 10 FGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000841043275 730205787 /nfs/dbraw/zinc/20/57/87/730205787.db2.gz QKMGZVFVZCEZIC-GOSISDBHSA-N 1 0 355.511 3.004 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841087437 730209246 /nfs/dbraw/zinc/20/92/46/730209246.db2.gz NMTMPLFWHSLBOU-CZUORRHYSA-N 1 0 353.304 3.427 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1O ZINC000841747671 730270080 /nfs/dbraw/zinc/27/00/80/730270080.db2.gz RWNLXLKOJZDIDN-LBPRGKRZSA-N 1 0 353.871 3.441 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1F ZINC000841799130 730275642 /nfs/dbraw/zinc/27/56/42/730275642.db2.gz PXOWIOXSBHKQET-INIZCTEOSA-N 1 0 350.482 3.003 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1F ZINC000841891232 730283170 /nfs/dbraw/zinc/28/31/70/730283170.db2.gz WGHUBUTWKBTJQV-UHFFFAOYSA-N 1 0 352.494 3.329 20 10 FGCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000842643335 730524098 /nfs/dbraw/zinc/52/40/98/730524098.db2.gz NBWCTVYLQBMQKV-QGZVFWFLSA-N 1 0 352.356 3.046 20 10 FGCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1OC ZINC000843115345 730587799 /nfs/dbraw/zinc/58/77/99/730587799.db2.gz CWLYKFGMFCNRHQ-INIZCTEOSA-N 1 0 362.857 3.209 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000843400033 730615036 /nfs/dbraw/zinc/61/50/36/730615036.db2.gz VZCPCCKGMCFOMI-UKRRQHHQSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cccc(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)c1O ZINC000845970776 730913520 /nfs/dbraw/zinc/91/35/20/730913520.db2.gz TYPIBKHNULUNDA-UHFFFAOYSA-N 1 0 350.459 3.184 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1O ZINC000846042195 730922722 /nfs/dbraw/zinc/92/27/22/730922722.db2.gz ITVMUTJGJAVBJK-MRXNPFEDSA-N 1 0 370.287 3.458 20 10 FGCDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)N1CCOCC1 ZINC000846139016 730931754 /nfs/dbraw/zinc/93/17/54/730931754.db2.gz ODDDTPQTWZEAIU-YJBOKZPZSA-N 1 0 350.503 3.188 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000846166737 730933226 /nfs/dbraw/zinc/93/32/26/730933226.db2.gz OHBKJWJQBOBTKK-LLVKDONJSA-N 1 0 369.870 3.309 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1cc(Br)ccc1O ZINC000846207776 730936437 /nfs/dbraw/zinc/93/64/37/730936437.db2.gz FHGSRPKQAZWMKK-BXUZGUMPSA-N 1 0 355.276 3.064 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846205697 730936502 /nfs/dbraw/zinc/93/65/02/730936502.db2.gz KBQOYPJFHSAISW-RYUDHWBXSA-N 1 0 367.287 3.125 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000848524585 731175247 /nfs/dbraw/zinc/17/52/47/731175247.db2.gz HDDQHCMOCQLANC-MNOVXSKESA-N 1 0 366.259 3.235 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)c1O ZINC000848533659 731176823 /nfs/dbraw/zinc/17/68/23/731176823.db2.gz TUQUJTYKZNFQDP-NTZNESFSSA-N 1 0 374.275 3.008 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCOC(F)F)c1O ZINC000848549257 731179910 /nfs/dbraw/zinc/17/99/10/731179910.db2.gz PZHYNOLNAJBREM-QMMMGPOBSA-N 1 0 354.191 3.443 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000848552793 731180471 /nfs/dbraw/zinc/18/04/71/731180471.db2.gz NNIXSHUOKOMXJM-ZJUUUORDSA-N 1 0 354.248 3.309 20 10 FGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000848894494 731218465 /nfs/dbraw/zinc/21/84/65/731218465.db2.gz MHXWOASSRVNLRX-AWEZNQCLSA-N 1 0 362.495 3.056 20 10 FGCDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000850136274 731324187 /nfs/dbraw/zinc/32/41/87/731324187.db2.gz XIQCUZFLCMEMSR-GOSISDBHSA-N 1 0 364.555 3.370 20 10 FGCDRO COc1cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850155134 731326921 /nfs/dbraw/zinc/32/69/21/731326921.db2.gz OEDYRAWOSCSRKK-HOCLYGCPSA-N 1 0 369.527 3.144 20 10 FGCDRO Cc1ncc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1C ZINC000850163680 731327585 /nfs/dbraw/zinc/32/75/85/731327585.db2.gz GWRFMPIINJGMSR-AWEZNQCLSA-N 1 0 350.413 3.089 20 10 FGCDRO COc1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850234875 731333641 /nfs/dbraw/zinc/33/36/41/731333641.db2.gz MUGWNTATQSBLST-UHFFFAOYSA-N 1 0 369.527 3.003 20 10 FGCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C ZINC000850313889 731342040 /nfs/dbraw/zinc/34/20/40/731342040.db2.gz LCEAWKUPVUDIQD-KRWDZBQOSA-N 1 0 350.503 3.291 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cn3)C2)cc1 ZINC000850347595 731345395 /nfs/dbraw/zinc/34/53/95/731345395.db2.gz UMLPERSKSXSMDC-OAHLLOKOSA-N 1 0 362.271 3.221 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1O ZINC000850372814 731349577 /nfs/dbraw/zinc/34/95/77/731349577.db2.gz ZIDMGUNHOVZFSB-HUUCEWRRSA-N 1 0 364.239 3.431 20 10 FGCDRO CNC(=O)CC1(C[NH2+]Cc2cc(Br)ccc2O)CCCCC1 ZINC000850399859 731352325 /nfs/dbraw/zinc/35/23/25/731352325.db2.gz SRBACBUFNMAISV-UHFFFAOYSA-N 1 0 369.303 3.331 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(Br)ccc1O ZINC000850503646 731365935 /nfs/dbraw/zinc/36/59/35/731365935.db2.gz YGJIDLSYZUBSQU-YBQGDOTASA-N 1 0 360.317 3.495 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCc4nc(Cl)ccc43)cc2)CC1 ZINC000850567952 731374435 /nfs/dbraw/zinc/37/44/35/731374435.db2.gz MSNOEVAFWCIYPV-GOSISDBHSA-N 1 0 357.885 3.473 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(Cl)c1 ZINC000853122958 731668012 /nfs/dbraw/zinc/66/80/12/731668012.db2.gz WSGYOSILONEOFL-FQEVSTJZSA-N 1 0 360.885 3.124 20 10 FGCDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Cl)n1 ZINC000856772031 732057830 /nfs/dbraw/zinc/05/78/30/732057830.db2.gz NEOHGCDOCHVKOI-CYBMUJFWSA-N 1 0 370.831 3.434 20 10 FGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2c(O)cccc2Br)c(C)o1 ZINC000858144736 732185709 /nfs/dbraw/zinc/18/57/09/732185709.db2.gz GGDADDZQQFTKKZ-MRXNPFEDSA-N 1 0 354.244 3.362 20 10 FGCDRO CNC(=O)CC1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCCC1 ZINC000858195101 732191297 /nfs/dbraw/zinc/19/12/97/732191297.db2.gz RPHJPJLZVPEUJK-UHFFFAOYSA-N 1 0 353.457 3.207 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1O ZINC000858483804 732219609 /nfs/dbraw/zinc/21/96/09/732219609.db2.gz ATEHOVPSFKTAAX-CYBMUJFWSA-N 1 0 359.413 3.008 20 10 FGCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249465 732798474 /nfs/dbraw/zinc/79/84/74/732798474.db2.gz PXLQKSJRQOBWQL-LLVKDONJSA-N 1 0 356.260 3.318 20 10 FGCDRO CC1([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)OCCO1 ZINC000862322513 732807556 /nfs/dbraw/zinc/80/75/56/732807556.db2.gz MTZXRHNMVOWDJL-GFCCVEGCSA-N 1 0 356.260 3.130 20 10 FGCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@@H]1C(F)(F)F ZINC000862364613 732816433 /nfs/dbraw/zinc/81/64/33/732816433.db2.gz FLDZITRSSBZHGD-KOLCDFICSA-N 1 0 368.193 3.147 20 10 FGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1)C(N)=O ZINC000862383431 732820882 /nfs/dbraw/zinc/82/08/82/732820882.db2.gz SKALSBBWSYOJHQ-GFCCVEGCSA-N 1 0 369.303 3.268 20 10 FGCDRO Cc1cc(CNC(=S)NC2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000863233365 732929147 /nfs/dbraw/zinc/92/91/47/732929147.db2.gz NFONKGWQWVPGHW-UHFFFAOYSA-N 1 0 356.539 3.152 20 10 FGCDRO OC1CCN(c2ccc(CNc3cc[nH+]cc3C(F)(F)F)cc2)CC1 ZINC000865952620 733294929 /nfs/dbraw/zinc/29/49/29/733294929.db2.gz OAOFHXXLJVILNA-UHFFFAOYSA-N 1 0 351.372 3.096 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000866463055 733353064 /nfs/dbraw/zinc/35/30/64/733353064.db2.gz HQRPHEZALHDWFC-WSFZALMZSA-N 1 0 372.181 3.126 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccc(Cl)cc1O ZINC000866576969 733369200 /nfs/dbraw/zinc/36/92/00/733369200.db2.gz LITTWUJUMFXVTC-ZDUSSCGKSA-N 1 0 359.857 3.422 20 10 FGCDRO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(N(C)C)cc1 ZINC000872120968 735592953 /nfs/dbraw/zinc/59/29/53/735592953.db2.gz XBDUVLBJEOALQJ-JVPQYHMTSA-N 1 0 350.528 3.149 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1C(C)C ZINC000872807149 735680688 /nfs/dbraw/zinc/68/06/88/735680688.db2.gz KUFPKLSZFTZQML-KDURUIRLSA-N 1 0 351.512 3.081 20 10 FGCDRO Cc1occ(C(F)(F)F)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505800 736108099 /nfs/dbraw/zinc/10/80/99/736108099.db2.gz BIXUICZVQAGDHE-AWEZNQCLSA-N 1 0 355.360 3.103 20 10 FGCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000876946485 736166515 /nfs/dbraw/zinc/16/65/15/736166515.db2.gz SCZAHRFRINTOJW-BZQUYTCOSA-N 1 0 372.421 3.475 20 10 FGCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877142089 736192423 /nfs/dbraw/zinc/19/24/23/736192423.db2.gz JXLPEABKMCFYDN-LJQANCHMSA-N 1 0 359.539 3.102 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)cc1OC ZINC000877664573 736701991 /nfs/dbraw/zinc/70/19/91/736701991.db2.gz SXKWSWRGLAORMA-OAHLLOKOSA-N 1 0 369.820 3.415 20 10 FGCDRO C[C@@H]([NH2+]Cc1ncc(I)s1)c1ccccc1O ZINC000877755671 736714551 /nfs/dbraw/zinc/71/45/51/736714551.db2.gz KWXZIHMODFYVSA-MRVPVSSYSA-N 1 0 360.220 3.304 20 10 FGCDRO Cc1csc(CC2(O)CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000878929145 736934992 /nfs/dbraw/zinc/93/49/92/736934992.db2.gz VQJLRHDFFMHNDM-UHFFFAOYSA-N 1 0 359.539 3.396 20 10 FGCDRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000883305945 737550715 /nfs/dbraw/zinc/55/07/15/737550715.db2.gz JRGODRIZYCDHSP-DOTOQJQBSA-N 1 0 368.518 3.434 20 10 FGCDRO [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NCCCSc1nccs1 ZINC000884137981 737637076 /nfs/dbraw/zinc/63/70/76/737637076.db2.gz AFNARZDLLRPUKZ-AWEZNQCLSA-N 1 0 361.492 3.058 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc4c3CCOC4)SC2=S)CC1 ZINC000887272008 739351695 /nfs/dbraw/zinc/35/16/95/739351695.db2.gz FATMILPZNRYPOT-BOPFTXTBSA-N 1 0 374.531 3.055 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)c1ccc(N2CCOCC2)cc1 ZINC000892731782 740038566 /nfs/dbraw/zinc/03/85/66/740038566.db2.gz YEGRDXVWMLMRPH-YSVLISHTSA-N 1 0 353.304 3.347 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)c1ccc(N2CCOCC2)cc1 ZINC000892731780 740038577 /nfs/dbraw/zinc/03/85/77/740038577.db2.gz YEGRDXVWMLMRPH-QRTARXTBSA-N 1 0 353.304 3.347 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cccc(Br)c2)c(O)c1OC ZINC000892742579 740039484 /nfs/dbraw/zinc/03/94/84/740039484.db2.gz WRCFRPHXCORTKZ-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(F)c(F)c1 ZINC000893286866 742135393 /nfs/dbraw/zinc/13/53/93/742135393.db2.gz XJYGOWJZQRMVOX-OAHLLOKOSA-N 1 0 353.365 3.165 20 10 FGCDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)nn1 ZINC000895155554 742382750 /nfs/dbraw/zinc/38/27/50/742382750.db2.gz LMIPFSOCZCEPEJ-UHFFFAOYSA-N 1 0 364.833 3.472 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895837104 742460427 /nfs/dbraw/zinc/46/04/27/742460427.db2.gz RGCAALAXRSWOKH-ZDUSSCGKSA-N 1 0 368.193 3.210 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3ncc(C(=O)OC)s3)C2)c1 ZINC000896970101 742624319 /nfs/dbraw/zinc/62/43/19/742624319.db2.gz QVYFLAYWSNPGPM-LBPRGKRZSA-N 1 0 362.451 3.024 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000897615747 742695379 /nfs/dbraw/zinc/69/53/79/742695379.db2.gz DMYZJTRXZRLNJH-LLVKDONJSA-N 1 0 353.344 3.199 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000903181010 743818527 /nfs/dbraw/zinc/81/85/27/743818527.db2.gz MGNIGNUCSAYVNI-DLBZAZTESA-N 1 0 358.404 3.364 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000903235415 743827368 /nfs/dbraw/zinc/82/73/68/743827368.db2.gz UFGUQIFAYWDYNM-LBPRGKRZSA-N 1 0 368.886 3.195 20 10 FGCDRO OCCOC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC(C(F)F)CC1 ZINC000903264800 743831886 /nfs/dbraw/zinc/83/18/86/743831886.db2.gz UHQDGIJZMJJFBQ-XAUUPUKJSA-N 1 0 355.425 3.172 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000925778161 759535298 /nfs/dbraw/zinc/53/52/98/759535298.db2.gz RRHHCCFFZQXPTK-IUCAKERBSA-N 1 0 367.209 3.189 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000925851867 759558362 /nfs/dbraw/zinc/55/83/62/759558362.db2.gz SUJCQINBGCNKBL-GHMZBOCLSA-N 1 0 373.280 3.035 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCc4c3nccc4Cl)cc2)CC1 ZINC000926726126 759810164 /nfs/dbraw/zinc/81/01/64/759810164.db2.gz XMXYSVNACHUDLO-IBGZPJMESA-N 1 0 357.885 3.473 20 10 FGCDRO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779006078 724380660 /nfs/dbraw/zinc/38/06/60/724380660.db2.gz MMYUFAVXOZDUDY-NSHDSACASA-N 1 0 355.276 3.125 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000779038096 724383771 /nfs/dbraw/zinc/38/37/71/724383771.db2.gz IPCXABCUMWQKFI-PSASIEDQSA-N 1 0 356.182 3.427 20 10 FGCDRO COc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1O ZINC000073415643 494368766 /nfs/dbraw/zinc/36/87/66/494368766.db2.gz RCHNTDMUAKGTCB-GOSISDBHSA-N 1 0 369.465 3.037 20 10 FGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000090779667 494496899 /nfs/dbraw/zinc/49/68/99/494496899.db2.gz BHVKWJODVUAFFL-VGSWGCGISA-N 1 0 352.478 3.008 20 10 FGCDRO O=[N+]([O-])c1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000091676432 494642083 /nfs/dbraw/zinc/64/20/83/494642083.db2.gz AZBGWTNMJZUFAI-UHFFFAOYSA-N 1 0 367.453 3.134 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000092149155 494800928 /nfs/dbraw/zinc/80/09/28/494800928.db2.gz OZTBEVPNPMTUPA-UHFFFAOYSA-N 1 0 360.479 3.201 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c(O)c1 ZINC000093010462 494807626 /nfs/dbraw/zinc/80/76/26/494807626.db2.gz KVUGRWVFXMQMGG-UHFFFAOYSA-N 1 0 372.465 3.477 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c1O ZINC000093770996 494919728 /nfs/dbraw/zinc/91/97/28/494919728.db2.gz VXDADFAENZEMLA-CQSZACIVSA-N 1 0 360.420 3.497 20 10 FGCDRO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000117974907 494967631 /nfs/dbraw/zinc/96/76/31/494967631.db2.gz NTGNBIKYWBBUNE-HXUWFJFHSA-N 1 0 368.477 3.275 20 10 FGCDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000122786659 495031144 /nfs/dbraw/zinc/03/11/44/495031144.db2.gz VTKTVFRTSCXRTQ-OAHLLOKOSA-N 1 0 371.481 3.277 20 10 FGCDRO Cc1cccnc1[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000118840072 495045986 /nfs/dbraw/zinc/04/59/86/495045986.db2.gz ZDYJMBOSMFFXJI-HXUWFJFHSA-N 1 0 354.498 3.059 20 10 FGCDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000123390830 495125684 /nfs/dbraw/zinc/12/56/84/495125684.db2.gz IMOCYTFHAHCHCV-UHFFFAOYSA-N 1 0 360.433 3.039 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182449047 495568009 /nfs/dbraw/zinc/56/80/09/495568009.db2.gz YFYGDXMYPFXISK-KBPBESRZSA-N 1 0 350.459 3.308 20 10 FGCDRO COC(=O)/C=C/c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150890401 495669957 /nfs/dbraw/zinc/66/99/57/495669957.db2.gz PCVAGNMXPGEJJY-LKUPDRCFSA-N 1 0 373.453 3.236 20 10 FGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185867043 495756820 /nfs/dbraw/zinc/75/68/20/495756820.db2.gz AWCTZMOSDPDMNM-JTQLQIEISA-N 1 0 368.275 3.310 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(S(C)(=O)=O)cc1 ZINC000171379391 495846514 /nfs/dbraw/zinc/84/65/14/495846514.db2.gz VMEPQNQVQOKOKF-OAHLLOKOSA-N 1 0 358.507 3.323 20 10 FGCDRO CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Br)ccc1O ZINC000155280172 495902902 /nfs/dbraw/zinc/90/29/02/495902902.db2.gz ZRVIODPRUSDFCI-MRXNPFEDSA-N 1 0 371.319 3.042 20 10 FGCDRO COCCOC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000180200987 495903097 /nfs/dbraw/zinc/90/30/97/495903097.db2.gz VQDSXVQYOAEWRP-UHFFFAOYSA-N 1 0 358.276 3.091 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000183274206 495910351 /nfs/dbraw/zinc/91/03/51/495910351.db2.gz PRJCJTZAOMQMAQ-UHFFFAOYSA-N 1 0 370.287 3.092 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000180305221 495944603 /nfs/dbraw/zinc/94/46/03/495944603.db2.gz XYKGWSPLBRDWGC-SFHVURJKSA-N 1 0 370.449 3.321 20 10 FGCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)cc1 ZINC000183404017 495967715 /nfs/dbraw/zinc/96/77/15/495967715.db2.gz HCAWJMZAGFFRJD-MRXNPFEDSA-N 1 0 374.506 3.205 20 10 FGCDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000186376714 495972243 /nfs/dbraw/zinc/97/22/43/495972243.db2.gz XUDPHZGFICMKDG-ZDUSSCGKSA-N 1 0 374.934 3.146 20 10 FGCDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cc(F)ccc3O)CC2)cc1 ZINC000180412299 495985711 /nfs/dbraw/zinc/98/57/11/495985711.db2.gz XBBDXCMXHRFWAL-UHFFFAOYSA-N 1 0 372.440 3.324 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)n1-c1ccccn1 ZINC000174547913 496003530 /nfs/dbraw/zinc/00/35/30/496003530.db2.gz KDJCNZQBXBOVNX-LJQANCHMSA-N 1 0 366.509 3.437 20 10 FGCDRO COCc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000174912025 496161195 /nfs/dbraw/zinc/16/11/95/496161195.db2.gz ZNHIDGSONTUVAG-LFIBNONCSA-N 1 0 362.520 3.128 20 10 FGCDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000187113707 496299244 /nfs/dbraw/zinc/29/92/44/496299244.db2.gz CNMSPAMRPCBKSW-WBVHZDCISA-N 1 0 354.450 3.223 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(N(C)C)cc1 ZINC000157710666 496535776 /nfs/dbraw/zinc/53/57/76/496535776.db2.gz UDEHKLOISHRJRI-SJORKVTESA-N 1 0 354.498 3.224 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157717159 496536964 /nfs/dbraw/zinc/53/69/64/496536964.db2.gz KTNDNJPNRSOSDB-JLTOFOAXSA-N 1 0 362.420 3.186 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c(O)c1 ZINC000185083040 496651224 /nfs/dbraw/zinc/65/12/24/496651224.db2.gz MFNDCTGBPJULEK-INIZCTEOSA-N 1 0 368.477 3.251 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000185086758 496652323 /nfs/dbraw/zinc/65/23/23/496652323.db2.gz FTBXNPVGMFOTAL-HNNXBMFYSA-N 1 0 363.479 3.057 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185118252 496667993 /nfs/dbraw/zinc/66/79/93/496667993.db2.gz DCNWFFZBERJKCA-AWEZNQCLSA-N 1 0 374.456 3.352 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000185178696 496693329 /nfs/dbraw/zinc/69/33/29/496693329.db2.gz HYEPECAHMGDGMP-MRXNPFEDSA-N 1 0 374.506 3.336 20 10 FGCDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1ccc(N)cc1 ZINC000169121313 496714711 /nfs/dbraw/zinc/71/47/11/496714711.db2.gz LEXYPSPQBTZMSW-IAGOWNOFSA-N 1 0 351.494 3.084 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273391229 496792063 /nfs/dbraw/zinc/79/20/63/496792063.db2.gz KUZHPDCVWPWAOV-LSDHHAIUSA-N 1 0 362.495 3.329 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1F ZINC000270284001 497092625 /nfs/dbraw/zinc/09/26/25/497092625.db2.gz NGIGACPPEXSZGW-SFHVURJKSA-N 1 0 355.457 3.030 20 10 FGCDRO COc1c([O-])c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278531851 497144955 /nfs/dbraw/zinc/14/49/55/497144955.db2.gz VGKQGAIWZXTUAE-UHFFFAOYSA-N 1 0 363.458 3.196 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278587716 497157743 /nfs/dbraw/zinc/15/77/43/497157743.db2.gz DSUAHNOLLQDWCA-UHFFFAOYSA-N 1 0 358.530 3.159 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000278604797 497165072 /nfs/dbraw/zinc/16/50/72/497165072.db2.gz FXIVUPATJMLFOW-UHFFFAOYSA-N 1 0 370.541 3.301 20 10 FGCDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2F)CC1 ZINC000237087909 497189027 /nfs/dbraw/zinc/18/90/27/497189027.db2.gz NQQMXRALRLIKLB-UHFFFAOYSA-N 1 0 370.472 3.120 20 10 FGCDRO Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)s1 ZINC000237983783 497323076 /nfs/dbraw/zinc/32/30/76/497323076.db2.gz LRFMFAWLDZHEDM-CVEARBPZSA-N 1 0 373.497 3.025 20 10 FGCDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000271902795 497483941 /nfs/dbraw/zinc/48/39/41/497483941.db2.gz VZDJDEXCCNCCQD-BEFAXECRSA-N 1 0 350.478 3.110 20 10 FGCDRO CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(C)cc1O ZINC000280016536 497620431 /nfs/dbraw/zinc/62/04/31/497620431.db2.gz HAFALYMTMDGZHB-SFHVURJKSA-N 1 0 359.445 3.312 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284856154 497922841 /nfs/dbraw/zinc/92/28/41/497922841.db2.gz AJDVWFHWZAWDPY-MRXNPFEDSA-N 1 0 356.466 3.375 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC000301163188 497978999 /nfs/dbraw/zinc/97/89/99/497978999.db2.gz BCDNIRFTTOMQMA-UHFFFAOYSA-N 1 0 358.417 3.488 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3cc(C)ccc3O)CC2)c1 ZINC000296458378 498051854 /nfs/dbraw/zinc/05/18/54/498051854.db2.gz NCBUNCKJPVKQJA-OAHLLOKOSA-N 1 0 357.454 3.472 20 10 FGCDRO COc1cccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1O ZINC000289572983 498199597 /nfs/dbraw/zinc/19/95/97/498199597.db2.gz ZUAUOXCKKORESB-UHFFFAOYSA-N 1 0 358.457 3.337 20 10 FGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1O ZINC000289651180 498231511 /nfs/dbraw/zinc/23/15/11/498231511.db2.gz IFDZLTVEZFPXSS-INIZCTEOSA-N 1 0 370.493 3.460 20 10 FGCDRO COCC1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCOCC1 ZINC000293315221 498342771 /nfs/dbraw/zinc/34/27/71/498342771.db2.gz FGTXDUVGDOYKAA-LBPRGKRZSA-N 1 0 358.276 3.249 20 10 FGCDRO CCc1cc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)nc(C)n1 ZINC000302042432 498381217 /nfs/dbraw/zinc/38/12/17/498381217.db2.gz ITXACTQYGWHYNE-UHFFFAOYSA-N 1 0 357.477 3.241 20 10 FGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N3CCC(OC)CC3)cc1)CC2 ZINC000297398308 498434543 /nfs/dbraw/zinc/43/45/43/498434543.db2.gz FOTFHLIGYHPTBZ-FQEVSTJZSA-N 1 0 372.509 3.077 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000286638573 498461087 /nfs/dbraw/zinc/46/10/87/498461087.db2.gz BDEOEMYIKXXZIY-PKOBYXMFSA-N 1 0 352.482 3.188 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c(O)c1 ZINC000293756175 498478863 /nfs/dbraw/zinc/47/88/63/498478863.db2.gz ONVYXNVEFWSWBT-MRXNPFEDSA-N 1 0 356.466 3.327 20 10 FGCDRO CCn1cnnc1[C@H]1C[N@@H+]([C@@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525682 498513464 /nfs/dbraw/zinc/51/34/64/498513464.db2.gz CWPKKLMKOUOQTH-KBXCAEBGSA-N 1 0 352.438 3.291 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287061912 498613372 /nfs/dbraw/zinc/61/33/72/498613372.db2.gz NOLJRQNWJAOPHQ-CVEARBPZSA-N 1 0 368.518 3.291 20 10 FGCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294408306 498685341 /nfs/dbraw/zinc/68/53/41/498685341.db2.gz SWWRVGPDHCRXOI-IBGZPJMESA-N 1 0 361.507 3.479 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1cc(Br)ccc1O ZINC000282907934 498704670 /nfs/dbraw/zinc/70/46/70/498704670.db2.gz XEZHCULSPIHBBN-OAHLLOKOSA-N 1 0 368.275 3.239 20 10 FGCDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000294618412 498749888 /nfs/dbraw/zinc/74/98/88/498749888.db2.gz XXGIGEJGHPZHRN-UHFFFAOYSA-N 1 0 357.523 3.343 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000287616982 498814915 /nfs/dbraw/zinc/81/49/15/498814915.db2.gz JQAHSDKLJOSNAV-WMZOPIPTSA-N 1 0 372.431 3.095 20 10 FGCDRO COC1CCN(c2ccc(C[NH2+]C3(C(=O)N(C)C)CCCCC3)cc2)CC1 ZINC000295223106 498948624 /nfs/dbraw/zinc/94/86/24/498948624.db2.gz XZIPIZLECLNELW-UHFFFAOYSA-N 1 0 373.541 3.183 20 10 FGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCc4c3cnn4-c3ncccn3)ccc21 ZINC000366613937 499003907 /nfs/dbraw/zinc/00/39/07/499003907.db2.gz ZPWLJRIJOPFXDN-IBGZPJMESA-N 1 0 374.492 3.212 20 10 FGCDRO COc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000284385522 499098373 /nfs/dbraw/zinc/09/83/73/499098373.db2.gz OYOZPCJGDRTZRY-AWEZNQCLSA-N 1 0 361.873 3.431 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Br)ccc1O ZINC000367066361 499142764 /nfs/dbraw/zinc/14/27/64/499142764.db2.gz JBXOTKNBYDFKNV-ZQIUZPCESA-N 1 0 367.287 3.253 20 10 FGCDRO Cc1cccnc1NC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000367229120 499165167 /nfs/dbraw/zinc/16/51/67/499165167.db2.gz OOPNSABKXHVPBB-UHFFFAOYSA-N 1 0 370.472 3.446 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344274 499185125 /nfs/dbraw/zinc/18/51/25/499185125.db2.gz VWRFGAOOPBBYGX-HNNXBMFYSA-N 1 0 358.438 3.026 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)c(O)c1 ZINC000370375425 499214647 /nfs/dbraw/zinc/21/46/47/499214647.db2.gz UVCFWMZGEFGGSQ-HZPDHXFCSA-N 1 0 353.466 3.119 20 10 FGCDRO C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000368050600 499259420 /nfs/dbraw/zinc/25/94/20/499259420.db2.gz GORZYCPTYYNYIS-JOCHJYFZSA-N 1 0 370.585 3.136 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)cc1 ZINC000371486838 499333113 /nfs/dbraw/zinc/33/31/13/499333113.db2.gz ANXQDIXJWXREDE-CRAIPNDOSA-N 1 0 357.502 3.149 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000371752008 499361379 /nfs/dbraw/zinc/36/13/79/499361379.db2.gz DIZOSLTZIFUHNE-IBGZPJMESA-N 1 0 353.397 3.347 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1 ZINC000373185436 499456101 /nfs/dbraw/zinc/45/61/01/499456101.db2.gz IMPUTFXOGRVVJD-UGSOOPFHSA-N 1 0 361.511 3.166 20 10 FGCDRO COCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCc2cccnc21 ZINC000373448028 499470132 /nfs/dbraw/zinc/47/01/32/499470132.db2.gz INNZPKVPLZHVOP-MRXNPFEDSA-N 1 0 356.422 3.042 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373548405 499476314 /nfs/dbraw/zinc/47/63/14/499476314.db2.gz PMAOMEMTUDZMBL-UHFFFAOYSA-N 1 0 358.530 3.301 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1OC ZINC000378437435 499516738 /nfs/dbraw/zinc/51/67/38/499516738.db2.gz GIQNGALACWVKDC-UHFFFAOYSA-N 1 0 359.470 3.135 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000377687801 499719847 /nfs/dbraw/zinc/71/98/47/499719847.db2.gz BHPCVEMZYOKQRV-IBGZPJMESA-N 1 0 359.491 3.348 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@H]2CCCO2)C1 ZINC000444128225 500807461 /nfs/dbraw/zinc/80/74/61/500807461.db2.gz PYNKDHDXVDDIJJ-QGZVFWFLSA-N 1 0 369.509 3.045 20 10 FGCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472223070 502276076 /nfs/dbraw/zinc/27/60/76/502276076.db2.gz NFFIRIQXCJUFSG-KRWDZBQOSA-N 1 0 356.514 3.360 20 10 FGCDRO CC[N@H+](CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(C)C ZINC000489936540 503070377 /nfs/dbraw/zinc/07/03/77/503070377.db2.gz RQDTVHWYBONCKY-UHFFFAOYSA-N 1 0 359.514 3.365 20 10 FGCDRO COc1ccc(O)c(CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)c1 ZINC000528861029 504420206 /nfs/dbraw/zinc/42/02/06/504420206.db2.gz IUUQWKMHGGGOBF-GOSISDBHSA-N 1 0 374.868 3.335 20 10 FGCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC4(CCCC4)c4c3cccc4F)c21 ZINC000592518108 507691877 /nfs/dbraw/zinc/69/18/77/507691877.db2.gz DHXVOUFKADUZGL-CQSZACIVSA-N 1 0 368.456 3.331 20 10 FGCDRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000822761289 599459207 /nfs/dbraw/zinc/45/92/07/599459207.db2.gz GWXVANUYJPVUCN-UHFFFAOYSA-N 1 0 366.444 3.286 20 10 FGCDRO CC[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000825142993 608281864 /nfs/dbraw/zinc/28/18/64/608281864.db2.gz UPLIQAGLCAFHMN-IBGZPJMESA-N 1 0 366.469 3.052 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC(C)(C)C ZINC000076118488 700224714 /nfs/dbraw/zinc/22/47/14/700224714.db2.gz URZCXBRKPIMBHW-NSHDSACASA-N 1 0 357.292 3.280 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646605 700452965 /nfs/dbraw/zinc/45/29/65/700452965.db2.gz HVYQCXOOSUUVAN-UXHICEINSA-N 1 0 364.555 3.465 20 10 FGCDRO COc1cc(OC)c(CC[NH2+]Cc2c(O)cccc2Cl)c(OC)c1 ZINC000113339877 700571038 /nfs/dbraw/zinc/57/10/38/700571038.db2.gz VIWKZWWJZAXOMC-UHFFFAOYSA-N 1 0 351.830 3.404 20 10 FGCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000119057213 700619085 /nfs/dbraw/zinc/61/90/85/700619085.db2.gz FURQTFNWAFQOPF-HNNXBMFYSA-N 1 0 361.463 3.422 20 10 FGCDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000121092623 700665818 /nfs/dbraw/zinc/66/58/18/700665818.db2.gz DAPDRIXHXIONID-UHFFFAOYSA-N 1 0 357.292 3.185 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000124440312 700720126 /nfs/dbraw/zinc/72/01/26/700720126.db2.gz JXRMYQYXVLZCNY-OAHLLOKOSA-N 1 0 366.255 3.377 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000136154937 704858973 /nfs/dbraw/zinc/85/89/73/704858973.db2.gz XSMXFBVOFYZQCM-IBGZPJMESA-N 1 0 364.848 3.139 20 10 FGCDRO C[C@H](CNC(=O)NCCCSc1nccs1)C[NH+]1CCCCC1 ZINC000152614587 704967883 /nfs/dbraw/zinc/96/78/83/704967883.db2.gz ABDBUYUPLFPFCK-CQSZACIVSA-N 1 0 356.561 3.047 20 10 FGCDRO C[NH+](C)CC[C@H](NC(=O)NCCCSc1nccs1)C(C)(C)C ZINC000153668180 705007766 /nfs/dbraw/zinc/00/77/66/705007766.db2.gz WWTINLCLIKAJQQ-ZDUSSCGKSA-N 1 0 358.577 3.291 20 10 FGCDRO CCC[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000154569436 705039863 /nfs/dbraw/zinc/03/98/63/705039863.db2.gz HTYYZALSKGKVTB-UHFFFAOYSA-N 1 0 363.479 3.087 20 10 FGCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000161932800 705285961 /nfs/dbraw/zinc/28/59/61/705285961.db2.gz OPZXCXGCBKIKJK-AWEZNQCLSA-N 1 0 351.418 3.289 20 10 FGCDRO CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Br)ccc1O ZINC000192910484 712877478 /nfs/dbraw/zinc/87/74/78/712877478.db2.gz DDOUYMMTVVUGOT-HNNXBMFYSA-N 1 0 371.319 3.306 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)CC1 ZINC000255920725 713710744 /nfs/dbraw/zinc/71/07/44/713710744.db2.gz BRFRUGMKBFKQTD-NTEUORMPSA-N 1 0 354.447 3.260 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Br)ccc1O ZINC000779065798 724386704 /nfs/dbraw/zinc/38/67/04/724386704.db2.gz PUBAEYRYEBZPKE-TZMCWYRMSA-N 1 0 350.260 3.407 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c1 ZINC000802652374 724397509 /nfs/dbraw/zinc/39/75/09/724397509.db2.gz FKBDFFQICLHJJG-UHFFFAOYSA-N 1 0 362.495 3.299 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000706643497 722412264 /nfs/dbraw/zinc/41/22/64/722412264.db2.gz LQPBKMJOGHXEQH-OAHLLOKOSA-N 1 0 352.475 3.235 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000725849753 722424881 /nfs/dbraw/zinc/42/48/81/722424881.db2.gz WXDLPPSFHNMDSN-LLVKDONJSA-N 1 0 354.859 3.268 20 10 FGCDRO Cc1cc(CC(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000731232649 722474199 /nfs/dbraw/zinc/47/41/99/722474199.db2.gz DNFUFFMDLJBKRJ-MRXNPFEDSA-N 1 0 359.901 3.358 20 10 FGCDRO O=C(Nc1nccs1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732232735 722482898 /nfs/dbraw/zinc/48/28/98/722482898.db2.gz HWAWKEDXDVBFGE-ZDUSSCGKSA-N 1 0 366.874 3.288 20 10 FGCDRO CC[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1cc(Br)ccc1O ZINC000743872833 722572192 /nfs/dbraw/zinc/57/21/92/722572192.db2.gz BIHYCESRMGVNRE-CYBMUJFWSA-N 1 0 369.303 3.378 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1C(C)(C)C1(C)C ZINC000746600267 722610119 /nfs/dbraw/zinc/61/01/19/722610119.db2.gz MRQZPNVZLZMUNG-OAHLLOKOSA-N 1 0 364.555 3.082 20 10 FGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CS1 ZINC000754144882 722930007 /nfs/dbraw/zinc/93/00/07/722930007.db2.gz QZHQBDYUWJLPBB-LNLFQRSKSA-N 1 0 361.555 3.008 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000754728237 722945020 /nfs/dbraw/zinc/94/50/20/722945020.db2.gz YHZZKHGZKUKSQX-UHFFFAOYSA-N 1 0 360.479 3.119 20 10 FGCDRO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)ccc1O ZINC000756557806 722966844 /nfs/dbraw/zinc/96/68/44/722966844.db2.gz VSGPBXWTRASFAC-GFCCVEGCSA-N 1 0 355.276 3.208 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1ccccc1Br ZINC000758525074 722991074 /nfs/dbraw/zinc/99/10/74/722991074.db2.gz CRGRYZHGPHLMET-ZDUSSCGKSA-N 1 0 350.256 3.096 20 10 FGCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1CCCC[C@H]1C ZINC000759560311 723008870 /nfs/dbraw/zinc/00/88/70/723008870.db2.gz FJEPIAYSUOSMTB-KGLIPLIRSA-N 1 0 356.561 3.187 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000761198782 723132513 /nfs/dbraw/zinc/13/25/13/723132513.db2.gz UAYYMURQWDWFRH-ZDUSSCGKSA-N 1 0 353.821 3.134 20 10 FGCDRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000793389714 723433076 /nfs/dbraw/zinc/43/30/76/723433076.db2.gz NACVDCILLHCNQU-KBPBESRZSA-N 1 0 357.397 3.248 20 10 FGCDRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978135 723549566 /nfs/dbraw/zinc/54/95/66/723549566.db2.gz LTQCVFHXZIONEU-APWZRJJASA-N 1 0 352.544 3.226 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000766139062 723558049 /nfs/dbraw/zinc/55/80/49/723558049.db2.gz GMBJTTFJSKCSOG-YZVOILCLSA-N 1 0 352.906 3.378 20 10 FGCDRO COC(=O)CC[N@@H+](Cc1cc(Br)cc(OC)c1O)CC(C)C ZINC000768852699 723669660 /nfs/dbraw/zinc/66/96/60/723669660.db2.gz WFQJEUBICFNGOG-UHFFFAOYSA-N 1 0 374.275 3.184 20 10 FGCDRO CCn1cc(C[N@H+](C)Cc2cc(Br)cc(OC)c2O)cn1 ZINC000769426887 723685410 /nfs/dbraw/zinc/68/54/10/723685410.db2.gz JRJJURQVBGYAPV-UHFFFAOYSA-N 1 0 354.248 3.012 20 10 FGCDRO CCc1nsc(N2CCC[N@H+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000769547584 723689453 /nfs/dbraw/zinc/68/94/53/723689453.db2.gz DFBBQDIZEPKFAJ-UHFFFAOYSA-N 1 0 352.891 3.172 20 10 FGCDRO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773406409 723784188 /nfs/dbraw/zinc/78/41/88/723784188.db2.gz CQAZDJAGJKWBQU-ULQDDVLXSA-N 1 0 350.890 3.418 20 10 FGCDRO CCC1(CC)[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H]1OC ZINC000774914827 723941898 /nfs/dbraw/zinc/94/18/98/723941898.db2.gz WZAHBIJRUSHVCV-CABCVRRESA-N 1 0 352.431 3.335 20 10 FGCDRO CCOc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c(O)c1 ZINC000775322776 723982108 /nfs/dbraw/zinc/98/21/08/723982108.db2.gz AUHGRTLMADQZKK-HNNXBMFYSA-N 1 0 363.479 3.051 20 10 FGCDRO CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000775500391 723996325 /nfs/dbraw/zinc/99/63/25/723996325.db2.gz JEDLBPFJMXZRFQ-SJORKVTESA-N 1 0 367.921 3.029 20 10 FGCDRO CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000775503445 723996649 /nfs/dbraw/zinc/99/66/49/723996649.db2.gz ISDVGEJCQVAYIS-DOMZBBRYSA-N 1 0 358.276 3.249 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cc(Br)ccc1O ZINC000775526926 723998292 /nfs/dbraw/zinc/99/82/92/723998292.db2.gz ODOBWNXWBVRITF-OCCSQVGLSA-N 1 0 355.276 3.205 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000775662768 724019210 /nfs/dbraw/zinc/01/92/10/724019210.db2.gz HQAMMQBJUNGCJE-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000775663877 724019306 /nfs/dbraw/zinc/01/93/06/724019306.db2.gz GTBLRXJMWMTICK-LJQANCHMSA-N 1 0 357.523 3.073 20 10 FGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)cc(C)c1O)CC2 ZINC000775699518 724027063 /nfs/dbraw/zinc/02/70/63/724027063.db2.gz GERGPSSDIOUALN-CQSZACIVSA-N 1 0 368.271 3.238 20 10 FGCDRO Cc1cc(Cl)cc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c1O ZINC000775734654 724033530 /nfs/dbraw/zinc/03/35/30/724033530.db2.gz VMPXJXBLTORKSD-UHFFFAOYSA-N 1 0 358.825 3.082 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(N(C)C)cc1 ZINC000775830447 724068686 /nfs/dbraw/zinc/06/86/86/724068686.db2.gz IZNKEHAYLGPKRD-ZDUSSCGKSA-N 1 0 356.857 3.265 20 10 FGCDRO CS[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1[NH+]1CCCC1 ZINC000776487190 724150407 /nfs/dbraw/zinc/15/04/07/724150407.db2.gz WETPATWCDKRTEC-DLBZAZTESA-N 1 0 368.930 3.260 20 10 FGCDRO Cc1cc(C(=O)NCCOCC[NH+](C)C)c(C)n1-c1cccc(Cl)c1 ZINC000777836294 724263020 /nfs/dbraw/zinc/26/30/20/724263020.db2.gz NCBZJLXCMNRTFP-UHFFFAOYSA-N 1 0 363.889 3.056 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C(F)F ZINC000801174465 724274420 /nfs/dbraw/zinc/27/44/20/724274420.db2.gz ONFIZHLBSBFGAP-IHRRRGAJSA-N 1 0 358.816 3.027 20 10 FGCDRO Cc1ccn(C)c1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784440744 724853256 /nfs/dbraw/zinc/85/32/56/724853256.db2.gz AIOCEPSMQWTLLV-INIZCTEOSA-N 1 0 361.873 3.087 20 10 FGCDRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000786949935 725009841 /nfs/dbraw/zinc/00/98/41/725009841.db2.gz LDTUQLRQOKURSF-MRXNPFEDSA-N 1 0 350.528 3.152 20 10 FGCDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788755903 725086118 /nfs/dbraw/zinc/08/61/18/725086118.db2.gz SYNFYPOBAUCDCI-KGLIPLIRSA-N 1 0 359.436 3.088 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000806179485 725119831 /nfs/dbraw/zinc/11/98/31/725119831.db2.gz RWMREUJKJRTGDC-TZMCWYRMSA-N 1 0 365.271 3.285 20 10 FGCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808706152 725214368 /nfs/dbraw/zinc/21/43/68/725214368.db2.gz DPGXZRUYEYYNOV-ZDUSSCGKSA-N 1 0 354.878 3.032 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000808705968 725214442 /nfs/dbraw/zinc/21/44/42/725214442.db2.gz VUPWGGFLJPFDLM-BXKDBHETSA-N 1 0 350.768 3.168 20 10 FGCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701371 725260506 /nfs/dbraw/zinc/26/05/06/725260506.db2.gz XIPLUQOIYXVNGX-SJLPKXTDSA-N 1 0 350.478 3.178 20 10 FGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741390 725264172 /nfs/dbraw/zinc/26/41/72/725264172.db2.gz OCVYMJYUNRPTDX-MRXNPFEDSA-N 1 0 372.340 3.299 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000810252223 725299967 /nfs/dbraw/zinc/29/99/67/725299967.db2.gz AMPBKARKTIRIGT-KBPBESRZSA-N 1 0 360.889 3.108 20 10 FGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000815119245 727040425 /nfs/dbraw/zinc/04/04/25/727040425.db2.gz RIBIDAPAAIEGFQ-OAHLLOKOSA-N 1 0 357.420 3.033 20 10 FGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000817575929 727266889 /nfs/dbraw/zinc/26/68/89/727266889.db2.gz LKPXJWRWMHXXMD-MRXNPFEDSA-N 1 0 350.478 3.490 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC000818964349 727331801 /nfs/dbraw/zinc/33/18/01/727331801.db2.gz SCLZURDTXOQJEQ-IBGZPJMESA-N 1 0 364.461 3.341 20 10 FGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000819291441 727364991 /nfs/dbraw/zinc/36/49/91/727364991.db2.gz VDPZSYPTPUCTGY-UONOGXRCSA-N 1 0 358.935 3.099 20 10 FGCDRO COC1(CO)CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000824297228 729329270 /nfs/dbraw/zinc/32/92/70/729329270.db2.gz RQQQJTSYKUDKGU-UHFFFAOYSA-N 1 0 360.523 3.358 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C(=O)N1CCCC1 ZINC000824332468 729331175 /nfs/dbraw/zinc/33/11/75/729331175.db2.gz MHTVSQAZVSCJJH-INIZCTEOSA-N 1 0 357.523 3.485 20 10 FGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000824530224 729345621 /nfs/dbraw/zinc/34/56/21/729345621.db2.gz WLTXPKICRNUHMV-LBPRGKRZSA-N 1 0 368.886 3.194 20 10 FGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000824621133 729351378 /nfs/dbraw/zinc/35/13/78/729351378.db2.gz JFWSSZZKXLEDPZ-UHFFFAOYSA-N 1 0 368.300 3.324 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000825319819 729378701 /nfs/dbraw/zinc/37/87/01/729378701.db2.gz CVXHPIBJCRQQBK-DAYGRLMNSA-N 1 0 352.425 3.414 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000825319822 729378743 /nfs/dbraw/zinc/37/87/43/729378743.db2.gz CVXHPIBJCRQQBK-RLFYNMQTSA-N 1 0 352.425 3.414 20 10 FGCDRO CN(Cc1cc(C(F)(F)F)nn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000825509344 729386075 /nfs/dbraw/zinc/38/60/75/729386075.db2.gz IXAQBCMBUCXUOZ-UHFFFAOYSA-N 1 0 356.392 3.016 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)cc1OC ZINC000826922069 729419133 /nfs/dbraw/zinc/41/91/33/729419133.db2.gz YFGNNYRWQIXQSS-MRXNPFEDSA-N 1 0 363.376 3.389 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)cc2Cl)C1 ZINC000831079809 729615783 /nfs/dbraw/zinc/61/57/83/729615783.db2.gz PQUUAAOFDFHFMQ-LIRRHRJNSA-N 1 0 364.921 3.128 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)c2ccc(Cl)cc2)cc1 ZINC000832267596 729701091 /nfs/dbraw/zinc/70/10/91/729701091.db2.gz WUZMWFXTMJXTDR-SFHVURJKSA-N 1 0 359.901 3.500 20 10 FGCDRO C[C@H]1CCc2c(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)csc2C1 ZINC000832284317 729702104 /nfs/dbraw/zinc/70/21/04/729702104.db2.gz ILANDPXFWJPHRG-UGSOOPFHSA-N 1 0 357.523 3.369 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000832286058 729702564 /nfs/dbraw/zinc/70/25/64/729702564.db2.gz VQJNJXFZCNFQPW-INIZCTEOSA-N 1 0 351.372 3.201 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(SC(F)F)cc2)cc1 ZINC000832292318 729703101 /nfs/dbraw/zinc/70/31/01/729703101.db2.gz FPWVQTZDIPXILR-MRXNPFEDSA-N 1 0 365.449 3.497 20 10 FGCDRO CN1CCN([C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)c2cccs2)CC1 ZINC000834487772 729807399 /nfs/dbraw/zinc/80/73/99/729807399.db2.gz LQPDVYAKTZBTQO-IRXDYDNUSA-N 1 0 357.523 3.019 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)s1 ZINC000840941413 730194721 /nfs/dbraw/zinc/19/47/21/730194721.db2.gz WNRKLLKIOQICOK-UHFFFAOYSA-N 1 0 359.900 3.499 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000840975890 730199816 /nfs/dbraw/zinc/19/98/16/730199816.db2.gz LZRDZDKANGRLFQ-MRXNPFEDSA-N 1 0 360.523 3.185 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000840977624 730200376 /nfs/dbraw/zinc/20/03/76/730200376.db2.gz WNRBUBBSEXIJPZ-CYBMUJFWSA-N 1 0 365.319 3.278 20 10 FGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000841040793 730205309 /nfs/dbraw/zinc/20/53/09/730205309.db2.gz UDNJFTWFPIITSH-OAHLLOKOSA-N 1 0 354.317 3.366 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(O)ccc2Br)cc1 ZINC000841045111 730205766 /nfs/dbraw/zinc/20/57/66/730205766.db2.gz HXNJMTFGYYYHIP-KRWDZBQOSA-N 1 0 364.287 3.010 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(Cl)cc1O ZINC000841747329 730270179 /nfs/dbraw/zinc/27/01/79/730270179.db2.gz AMQDIIRIODFXPH-LLVKDONJSA-N 1 0 351.855 3.226 20 10 FGCDRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(Cl)cc1O ZINC000841757659 730271273 /nfs/dbraw/zinc/27/12/73/730271273.db2.gz OKCHJBFFEFDTIG-JTQLQIEISA-N 1 0 371.662 3.321 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)C3CC([NH3+])C3)cc2Cl)C1 ZINC000841896491 730283933 /nfs/dbraw/zinc/28/39/33/730283933.db2.gz NPQFEWXRSUJEBV-IUDNXUCKSA-N 1 0 364.921 3.207 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CCC[NH3+])cc2Cl)C1 ZINC000841897933 730284178 /nfs/dbraw/zinc/28/41/78/730284178.db2.gz ZBFODYDGWITIHQ-AWEZNQCLSA-N 1 0 352.910 3.067 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(Br)cc1O ZINC000842887119 730554086 /nfs/dbraw/zinc/55/40/86/730554086.db2.gz WONUZRPUKMJYAH-GWCFXTLKSA-N 1 0 355.276 3.205 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@@H]1SC ZINC000842924373 730557820 /nfs/dbraw/zinc/55/78/20/730557820.db2.gz PIWYKTFAZNVMHG-QVSURHGTSA-N 1 0 368.518 3.222 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000843044409 730573126 /nfs/dbraw/zinc/57/31/26/730573126.db2.gz BFVTVOXLNOSZTB-CJNGLKHVSA-N 1 0 353.304 3.427 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125003 730588524 /nfs/dbraw/zinc/58/85/24/730588524.db2.gz KXVFDXRNXNSUDD-KGLIPLIRSA-N 1 0 353.304 3.285 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000843456181 730622324 /nfs/dbraw/zinc/62/23/24/730622324.db2.gz YMVFQFJLFBBDQO-NSHDSACASA-N 1 0 364.287 3.324 20 10 FGCDRO CC(C)C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)[NH+](C)C ZINC000844168760 730690483 /nfs/dbraw/zinc/69/04/83/730690483.db2.gz VSWFFFQRHNJKAF-MRXNPFEDSA-N 1 0 360.527 3.022 20 10 FGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000846054486 730923917 /nfs/dbraw/zinc/92/39/17/730923917.db2.gz CFUWZYYRTLFLBT-GFCCVEGCSA-N 1 0 353.871 3.342 20 10 FGCDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846215319 730937008 /nfs/dbraw/zinc/93/70/08/730937008.db2.gz PQHMFSGTXZFQJU-UZLBHIALSA-N 1 0 350.478 3.398 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000848525082 731175233 /nfs/dbraw/zinc/17/52/33/731175233.db2.gz MSEOQJBWNFNSBU-CMPLNLGQSA-N 1 0 355.276 3.051 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000848535813 731177618 /nfs/dbraw/zinc/17/76/18/731177618.db2.gz HBTGCNDBBLOBSR-JMCQJSRRSA-N 1 0 372.181 3.127 20 10 FGCDRO Cn1c(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnc1Cl ZINC000848541710 731178314 /nfs/dbraw/zinc/17/83/14/731178314.db2.gz UKVXURKGROEQNY-LBPRGKRZSA-N 1 0 370.831 3.434 20 10 FGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848545947 731179108 /nfs/dbraw/zinc/17/91/08/731179108.db2.gz OAJIOGJEBVTLED-PSOPSSQASA-N 1 0 374.275 3.008 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cc(C)nn2C)c1O ZINC000848549300 731179769 /nfs/dbraw/zinc/17/97/69/731179769.db2.gz SFZVQKUPYZVALK-SNVBAGLBSA-N 1 0 354.248 3.056 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)c1O ZINC000848553289 731180601 /nfs/dbraw/zinc/18/06/01/731180601.db2.gz LQSDMTDCDGYWFH-DMDPSCGWSA-N 1 0 358.276 3.365 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848569606 731183321 /nfs/dbraw/zinc/18/33/21/731183321.db2.gz FYJCUWXSMAAGPN-GXFFZTMASA-N 1 0 369.259 3.097 20 10 FGCDRO CCCn1nccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000850137141 731324199 /nfs/dbraw/zinc/32/41/99/731324199.db2.gz KELCUGHEUTVNNH-KRWDZBQOSA-N 1 0 362.905 3.406 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(-n4ccnc4)cs3)C2)cc1 ZINC000850346053 731344889 /nfs/dbraw/zinc/34/48/89/731344889.db2.gz BPHYCCZDKMUJGU-HNNXBMFYSA-N 1 0 354.479 3.311 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cncc(Br)c3)C2)cc1 ZINC000850347087 731345402 /nfs/dbraw/zinc/34/54/02/731345402.db2.gz NFKOCSYYLKVEHK-OAHLLOKOSA-N 1 0 362.271 3.221 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1F ZINC000850400169 731352793 /nfs/dbraw/zinc/35/27/93/731352793.db2.gz ATDUMQMEBLYCFN-HXUWFJFHSA-N 1 0 352.494 3.329 20 10 FGCDRO COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000850489089 731362671 /nfs/dbraw/zinc/36/26/71/731362671.db2.gz QLHRQDGIWYVQLG-DZGCQCFKSA-N 1 0 360.479 3.473 20 10 FGCDRO COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000850489090 731362703 /nfs/dbraw/zinc/36/27/03/731362703.db2.gz QLHRQDGIWYVQLG-HIFRSBDPSA-N 1 0 360.479 3.473 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C1CCOCC1 ZINC000850494471 731363863 /nfs/dbraw/zinc/36/38/63/731363863.db2.gz RYBDXKJUPKUZLF-ABAIWWIYSA-N 1 0 358.276 3.247 20 10 FGCDRO CC[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000850559983 731373249 /nfs/dbraw/zinc/37/32/49/731373249.db2.gz BFQDZKRBALABQS-GDBMZVCRSA-N 1 0 351.878 3.376 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1O ZINC000850559037 731373293 /nfs/dbraw/zinc/37/32/93/731373293.db2.gz WDXZEUXEZOWQSV-VXGBXAGGSA-N 1 0 369.303 3.452 20 10 FGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000858195392 732191334 /nfs/dbraw/zinc/19/13/34/732191334.db2.gz VDLFRRRFROEOTG-SJKOYZFVSA-N 1 0 350.256 3.409 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)ccc1OC ZINC000858212199 732192727 /nfs/dbraw/zinc/19/27/27/732192727.db2.gz ZNYBHNAFDYCJQA-UHFFFAOYSA-N 1 0 357.376 3.274 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000858284334 732200401 /nfs/dbraw/zinc/20/04/01/732200401.db2.gz FTHBULGWQYRYDB-ZIAGYGMSSA-N 1 0 350.459 3.278 20 10 FGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCN(c3ccc(Cl)cc3F)C1)OCO2 ZINC000858297477 732201196 /nfs/dbraw/zinc/20/11/96/732201196.db2.gz DURBXOKDEQPLIE-CYBMUJFWSA-N 1 0 364.804 3.282 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000858526470 732223961 /nfs/dbraw/zinc/22/39/61/732223961.db2.gz CGLUIBJSFRKWMU-OCCSQVGLSA-N 1 0 370.877 3.332 20 10 FGCDRO Cc1cc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000858542048 732225397 /nfs/dbraw/zinc/22/53/97/732225397.db2.gz HZSOVTSEBNJUSY-MRXNPFEDSA-N 1 0 360.523 3.397 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1O ZINC000858603126 732230918 /nfs/dbraw/zinc/23/09/18/732230918.db2.gz RMSPLBXMVDCJRX-LSDHHAIUSA-N 1 0 367.287 3.349 20 10 FGCDRO Oc1cccc(Br)c1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000862250737 732798735 /nfs/dbraw/zinc/79/87/35/732798735.db2.gz SSKQAAWISUCQIC-CYBMUJFWSA-N 1 0 368.193 3.290 20 10 FGCDRO CN(CC(F)F)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862249862 732798789 /nfs/dbraw/zinc/79/87/89/732798789.db2.gz FPGJUJBWSCJAST-UHFFFAOYSA-N 1 0 363.246 3.316 20 10 FGCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862251027 732799179 /nfs/dbraw/zinc/79/91/79/732799179.db2.gz YXEHGMKGJSIIBV-AWEZNQCLSA-N 1 0 353.304 3.318 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@]3(C)CCCS3)CC2)cc1 ZINC000862263214 732801661 /nfs/dbraw/zinc/80/16/61/732801661.db2.gz RUGLWBAOHGHNAD-HXUWFJFHSA-N 1 0 363.571 3.083 20 10 FGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)s1 ZINC000862473635 732839318 /nfs/dbraw/zinc/83/93/18/732839318.db2.gz CKNDIXMHVWZMTH-UHFFFAOYSA-N 1 0 350.415 3.154 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1O ZINC000862475342 732839444 /nfs/dbraw/zinc/83/94/44/732839444.db2.gz HNOOMRFHJRKFFM-UHFFFAOYSA-N 1 0 363.832 3.401 20 10 FGCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000865417358 733195318 /nfs/dbraw/zinc/19/53/18/733195318.db2.gz IDUHELRSVJOKSF-UHFFFAOYSA-N 1 0 355.507 3.488 20 10 FGCDRO Cc1scc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1C ZINC000865423068 733196722 /nfs/dbraw/zinc/19/67/22/733196722.db2.gz FECWSKPHMMFLFD-KRWDZBQOSA-N 1 0 357.523 3.356 20 10 FGCDRO OCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)c(F)c1 ZINC000865655051 733246995 /nfs/dbraw/zinc/24/69/95/733246995.db2.gz ZOXRRIVJUPILKY-CQSZACIVSA-N 1 0 353.777 3.127 20 10 FGCDRO FC(F)(F)[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)n1cncn1 ZINC000865682299 733251322 /nfs/dbraw/zinc/25/13/22/733251322.db2.gz CAWMUQDNOIEDDM-INIZCTEOSA-N 1 0 353.392 3.162 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)c2c1c(F)ccc2O ZINC000866431572 733348488 /nfs/dbraw/zinc/34/84/88/733348488.db2.gz XBKFCVCJOLHQQH-KCJUWKMLSA-N 1 0 354.223 3.365 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H](O)C(F)(F)F ZINC000866463575 733352899 /nfs/dbraw/zinc/35/28/99/733352899.db2.gz BOPQILIXWPJVQG-FIXISWKDSA-N 1 0 366.811 3.139 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000873228087 735740337 /nfs/dbraw/zinc/74/03/37/735740337.db2.gz PFASZCUFTGJNOR-QWRGUYRKSA-N 1 0 367.209 3.032 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645439 736699486 /nfs/dbraw/zinc/69/94/86/736699486.db2.gz LAAPGGHHAZDUSN-MRXNPFEDSA-N 1 0 363.255 3.341 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]CCSCCC(F)(F)F)cc2)CC1 ZINC000877730403 736711017 /nfs/dbraw/zinc/71/10/17/736711017.db2.gz ZPOYWRVYIHMLFM-UHFFFAOYSA-N 1 0 362.461 3.423 20 10 FGCDRO CCN(C)c1ccc(C[NH+]2CCC(O)(Cc3nc(C)cs3)CC2)cc1 ZINC000878928643 736935037 /nfs/dbraw/zinc/93/50/37/736935037.db2.gz LLQOJWINJXJUGF-UHFFFAOYSA-N 1 0 359.539 3.477 20 10 FGCDRO CSCc1cnc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283649 737546969 /nfs/dbraw/zinc/54/69/69/737546969.db2.gz MVGFAFNPCNTLDX-UHFFFAOYSA-N 1 0 362.568 3.048 20 10 FGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000883305948 737551092 /nfs/dbraw/zinc/55/10/92/737551092.db2.gz JRGODRIZYCDHSP-WBVHZDCISA-N 1 0 368.518 3.434 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)CC1 ZINC000886325335 739244308 /nfs/dbraw/zinc/24/43/08/739244308.db2.gz BQYHAWSTENQVFB-UHFFFAOYSA-N 1 0 357.885 3.332 20 10 FGCDRO Cc1csc([C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891248876 739886527 /nfs/dbraw/zinc/88/65/27/739886527.db2.gz NXVKMRBDCVUNRR-PBHICJAKSA-N 1 0 360.527 3.040 20 10 FGCDRO COc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)c(O)c1OC ZINC000892224475 739977459 /nfs/dbraw/zinc/97/74/59/739977459.db2.gz FFWUEOAEZPYWTM-UHFFFAOYSA-N 1 0 369.259 3.142 20 10 FGCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c(O)c1OC ZINC000893616250 742177470 /nfs/dbraw/zinc/17/74/70/742177470.db2.gz FPVDDLDIPHFDKS-SFHVURJKSA-N 1 0 351.830 3.060 20 10 FGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894357734 742272895 /nfs/dbraw/zinc/27/28/95/742272895.db2.gz YDBLAPZYONUSLT-MRXNPFEDSA-N 1 0 363.479 3.051 20 10 FGCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000894868781 742344470 /nfs/dbraw/zinc/34/44/70/742344470.db2.gz GVMXYVWZNMBCDA-AWEZNQCLSA-N 1 0 352.475 3.492 20 10 FGCDRO COC(=O)c1c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c2cc(F)ccc2n1C ZINC000895149489 742381335 /nfs/dbraw/zinc/38/13/35/742381335.db2.gz ISEURZBSOLIUMR-KRWDZBQOSA-N 1 0 352.356 3.335 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc4c(c3)CCCO4)SC2=S)CC1 ZINC000899260859 742900767 /nfs/dbraw/zinc/90/07/67/742900767.db2.gz SYDJJCTXPKDNSI-ATVHPVEESA-N 1 0 374.531 3.307 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)c2c1c(F)ccc2O ZINC000903187929 743819546 /nfs/dbraw/zinc/81/95/46/743819546.db2.gz LCDCYKPKMTYZNB-LDYMZIIASA-N 1 0 354.223 3.365 20 10 FGCDRO COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000903339337 743838748 /nfs/dbraw/zinc/83/87/48/743838748.db2.gz YOBGZVGUUVAFHY-JTQLQIEISA-N 1 0 354.248 3.056 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000903391396 743844220 /nfs/dbraw/zinc/84/42/20/743844220.db2.gz XOSMMPGPJLPSLB-WFASDCNBSA-N 1 0 370.287 3.452 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnc3n2CCOC3)c1O ZINC000903420236 743847814 /nfs/dbraw/zinc/84/78/14/743847814.db2.gz MJBSDHIQSSGGEG-LLVKDONJSA-N 1 0 366.259 3.041 20 10 FGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000917479779 758226119 /nfs/dbraw/zinc/22/61/19/758226119.db2.gz GMFAFUYXFJLOKG-GFCCVEGCSA-N 1 0 364.239 3.303 20 10 FGCDRO C[C@@H](c1ccc(Br)cc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925751239 759531564 /nfs/dbraw/zinc/53/15/64/759531564.db2.gz LMBXLRXFZXUFDP-VIFPVBQESA-N 1 0 368.300 3.189 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(F)ccc1O ZINC000926986146 759868482 /nfs/dbraw/zinc/86/84/82/759868482.db2.gz GNAWVBCYAMWXSM-VCOSZWKGSA-N 1 0 350.434 3.295 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cc(Br)ccc1O ZINC000927105177 759892136 /nfs/dbraw/zinc/89/21/36/759892136.db2.gz QNMCIMKPLGPCHX-WFASDCNBSA-N 1 0 369.303 3.059 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000779023309 724381944 /nfs/dbraw/zinc/38/19/44/724381944.db2.gz FHDYNTRPQOFKKC-JSGCOSHPSA-N 1 0 358.276 3.309 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779022829 724382143 /nfs/dbraw/zinc/38/21/43/724382143.db2.gz IIRZUWSHXYUODH-LBPRGKRZSA-N 1 0 362.367 3.154 20 10 FGCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000081361089 493878381 /nfs/dbraw/zinc/87/83/81/493878381.db2.gz PYGKYLAYANVAGB-SFHVURJKSA-N 1 0 354.498 3.293 20 10 FGCDRO COc1cccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1O ZINC000073666603 494409824 /nfs/dbraw/zinc/40/98/24/494409824.db2.gz CKLWACJNYRYDQQ-GOSISDBHSA-N 1 0 369.465 3.037 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1O ZINC000079498268 494466352 /nfs/dbraw/zinc/46/63/52/494466352.db2.gz WZVWLOZYHGNHBE-SFHVURJKSA-N 1 0 365.445 3.284 20 10 FGCDRO COc1cccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1O ZINC000092480635 494640947 /nfs/dbraw/zinc/64/09/47/494640947.db2.gz GAZYAQCTZZXNBT-UHFFFAOYSA-N 1 0 355.438 3.187 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773618 494643414 /nfs/dbraw/zinc/64/34/14/494643414.db2.gz XWFBYKMYCCLWON-UHFFFAOYSA-N 1 0 367.493 3.446 20 10 FGCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)c1O ZINC000092673977 494707444 /nfs/dbraw/zinc/70/74/44/494707444.db2.gz QKZKVKOTIAYSKT-UHFFFAOYSA-N 1 0 360.479 3.165 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1 ZINC000092002943 494749799 /nfs/dbraw/zinc/74/97/99/494749799.db2.gz IVGDAKNMIQIRAB-UHFFFAOYSA-N 1 0 369.465 3.345 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(O)c1 ZINC000092056761 494771286 /nfs/dbraw/zinc/77/12/86/494771286.db2.gz PUNQUZYWKHPCMH-UHFFFAOYSA-N 1 0 360.498 3.406 20 10 FGCDRO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccccc1O ZINC000109772888 494916729 /nfs/dbraw/zinc/91/67/29/494916729.db2.gz SFASSFLKFZLYHR-LBPRGKRZSA-N 1 0 350.365 3.453 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OCCO)c(OC)c2)cc1 ZINC000127651745 494976376 /nfs/dbraw/zinc/97/63/76/494976376.db2.gz NGHBCIUJTQYGDK-MRXNPFEDSA-N 1 0 358.482 3.373 20 10 FGCDRO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1ccccc1O ZINC000111235875 495052617 /nfs/dbraw/zinc/05/26/17/495052617.db2.gz LKJZSZXZHLPZPT-MRXNPFEDSA-N 1 0 353.466 3.451 20 10 FGCDRO Cc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000105324185 495356075 /nfs/dbraw/zinc/35/60/75/495356075.db2.gz CZWVRPSLPILMFE-UHFFFAOYSA-N 1 0 354.498 3.293 20 10 FGCDRO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130584177 495414525 /nfs/dbraw/zinc/41/45/25/495414525.db2.gz YKTOPZSPQZLULU-INIZCTEOSA-N 1 0 368.456 3.203 20 10 FGCDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cccc(OC)c1O ZINC000173561540 495589138 /nfs/dbraw/zinc/58/91/38/495589138.db2.gz GMBUJZIHNNTSCF-UHFFFAOYSA-N 1 0 371.481 3.242 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000185874491 495759291 /nfs/dbraw/zinc/75/92/91/495759291.db2.gz YWFVLQAMIJWJCE-RDTXWAMCSA-N 1 0 374.481 3.372 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c(O)c1 ZINC000179857298 495760397 /nfs/dbraw/zinc/76/03/97/495760397.db2.gz JESZQCITLYUFMU-UHFFFAOYSA-N 1 0 373.453 3.328 20 10 FGCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000160334166 495938569 /nfs/dbraw/zinc/93/85/69/495938569.db2.gz JVPNXNGBVBXPDF-PBHICJAKSA-N 1 0 357.477 3.382 20 10 FGCDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)cc1 ZINC000183380018 495955298 /nfs/dbraw/zinc/95/52/98/495955298.db2.gz ZMKJVXPPYRDNQK-UZLBHIALSA-N 1 0 356.466 3.125 20 10 FGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1cccc(Cl)c1)cc2=O ZINC000181414103 496386076 /nfs/dbraw/zinc/38/60/76/496386076.db2.gz WMCJWYUBBCYJPL-LLVKDONJSA-N 1 0 374.828 3.116 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178567999 496501011 /nfs/dbraw/zinc/50/10/11/496501011.db2.gz KTTNZRNWXRIPMO-AWEZNQCLSA-N 1 0 362.420 3.145 20 10 FGCDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc2c(cc1O)CCCC2 ZINC000184955806 496599261 /nfs/dbraw/zinc/59/92/61/496599261.db2.gz KRCWDSSPEJSSQN-HNNXBMFYSA-N 1 0 354.498 3.482 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1[O-] ZINC000187911336 496617066 /nfs/dbraw/zinc/61/70/66/496617066.db2.gz UHRYWNNNPMWAAL-BBRMVZONSA-N 1 0 362.420 3.088 20 10 FGCDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(Br)ccc1O ZINC000185052159 496638509 /nfs/dbraw/zinc/63/85/09/496638509.db2.gz XYQLPVYQZCRJTI-NSHDSACASA-N 1 0 356.260 3.491 20 10 FGCDRO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1cc(F)ccc1O ZINC000185083142 496651723 /nfs/dbraw/zinc/65/17/23/496651723.db2.gz SBTVZTCSERZHPI-AWEZNQCLSA-N 1 0 372.440 3.082 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109224 496664597 /nfs/dbraw/zinc/66/45/97/496664597.db2.gz CVGKKRMRHAALCJ-CABCVRRESA-N 1 0 362.495 3.363 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000185118769 496667606 /nfs/dbraw/zinc/66/76/06/496667606.db2.gz CWSAGKKMQPOAFJ-MRXNPFEDSA-N 1 0 370.493 3.460 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154079878 496677344 /nfs/dbraw/zinc/67/73/44/496677344.db2.gz XBTISRJXJQKHST-KXBFYZLASA-N 1 0 361.461 3.209 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1C ZINC000247093349 496777682 /nfs/dbraw/zinc/77/76/82/496777682.db2.gz OFCKUHNVTKOQAV-PMPSAXMXSA-N 1 0 353.457 3.329 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000273734654 496889133 /nfs/dbraw/zinc/88/91/33/496889133.db2.gz KXLLMIVJXIEZEJ-LBPRGKRZSA-N 1 0 362.861 3.429 20 10 FGCDRO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)Cc1ccccc1O ZINC000264753261 496978047 /nfs/dbraw/zinc/97/80/47/496978047.db2.gz WXMOOTWUGFITIQ-OAHLLOKOSA-N 1 0 351.450 3.053 20 10 FGCDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1 ZINC000265363901 497108543 /nfs/dbraw/zinc/10/85/43/497108543.db2.gz FKAZKYWRZWGRIY-WCWDXBQESA-N 1 0 365.437 3.251 20 10 FGCDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274918282 497198500 /nfs/dbraw/zinc/19/85/00/497198500.db2.gz KSEZQBBKLQCBLN-OAHLLOKOSA-N 1 0 356.466 3.301 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2CC)c(O)c1 ZINC000275729856 497416119 /nfs/dbraw/zinc/41/61/19/497416119.db2.gz ZROGTVPBUKQXJJ-OXJNMPFZSA-N 1 0 359.470 3.265 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000275753337 497423140 /nfs/dbraw/zinc/42/31/40/497423140.db2.gz DPCNBPMPSUFLAS-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1O ZINC000279633180 497493358 /nfs/dbraw/zinc/49/33/58/497493358.db2.gz ZHUFPSUTZRHJRV-LBPRGKRZSA-N 1 0 365.271 3.321 20 10 FGCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000245927075 497575385 /nfs/dbraw/zinc/57/53/85/497575385.db2.gz ZCGAHRQZCOFKTE-YDGZCJQPSA-N 1 0 360.473 3.271 20 10 FGCDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000276840414 497668647 /nfs/dbraw/zinc/66/86/47/497668647.db2.gz SMHGILXFHNKDBE-IBGZPJMESA-N 1 0 366.461 3.168 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411780 497943827 /nfs/dbraw/zinc/94/38/27/497943827.db2.gz CDBISTPQCSWAND-GJZGRUSLSA-N 1 0 355.438 3.208 20 10 FGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280952173 497963770 /nfs/dbraw/zinc/96/37/70/497963770.db2.gz JTFZWRQRUJMIHY-CQSZACIVSA-N 1 0 354.491 3.044 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@H]31)OCO2 ZINC000285176801 498013027 /nfs/dbraw/zinc/01/30/27/498013027.db2.gz QTQRXBUKSMROAL-FGTMMUONSA-N 1 0 353.418 3.125 20 10 FGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ccc3nccnc3n2)C1 ZINC000301257501 498024986 /nfs/dbraw/zinc/02/49/86/498024986.db2.gz UGTFNQDEDRZRSS-HNNXBMFYSA-N 1 0 369.856 3.460 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c(O)c1 ZINC000285302455 498046719 /nfs/dbraw/zinc/04/67/19/498046719.db2.gz SCHHWEVWXNMZJM-KRWDZBQOSA-N 1 0 368.477 3.332 20 10 FGCDRO CCC[N@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccccc1O ZINC000285360981 498062516 /nfs/dbraw/zinc/06/25/16/498062516.db2.gz ACWXKBHSXOKUQY-UHFFFAOYSA-N 1 0 357.479 3.225 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000296667451 498144458 /nfs/dbraw/zinc/14/44/58/498144458.db2.gz FTQFGVIZRRSNQR-QZTJIDSGSA-N 1 0 360.523 3.119 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1 ZINC000360054171 498240322 /nfs/dbraw/zinc/24/03/22/498240322.db2.gz ASKGDHJAYJRCIC-ICSRJNTNSA-N 1 0 366.509 3.238 20 10 FGCDRO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000360188331 498255841 /nfs/dbraw/zinc/25/58/41/498255841.db2.gz OTSKZJNCEUAKBX-FQEVSTJZSA-N 1 0 366.417 3.069 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3nccc(OC)c3OC)CC2)cc1 ZINC000365057418 498275924 /nfs/dbraw/zinc/27/59/24/498275924.db2.gz ZWOMGOYJUAJXLY-UHFFFAOYSA-N 1 0 371.481 3.208 20 10 FGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281997369 498350659 /nfs/dbraw/zinc/35/06/59/498350659.db2.gz CSGUMBWVPWIDKS-APWZRJJASA-N 1 0 350.478 3.082 20 10 FGCDRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1OC ZINC000290111993 498433070 /nfs/dbraw/zinc/43/30/70/498433070.db2.gz ISMXUUSQDAEIHN-RBZFPXEDSA-N 1 0 363.429 3.193 20 10 FGCDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000366070802 498761034 /nfs/dbraw/zinc/76/10/34/498761034.db2.gz ARSUSZAICRMHRL-QZTJIDSGSA-N 1 0 372.488 3.212 20 10 FGCDRO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363381786 498791951 /nfs/dbraw/zinc/79/19/51/498791951.db2.gz KMSJWGPVPMQHNX-ZDUSSCGKSA-N 1 0 354.376 3.233 20 10 FGCDRO Oc1ccccc1C[N@@H+](Cc1cnn(CC(F)F)c1)C[C@H]1CCCO1 ZINC000294862054 498830718 /nfs/dbraw/zinc/83/07/18/498830718.db2.gz JNAALDXPEZGBJE-MRXNPFEDSA-N 1 0 351.397 3.035 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000283488356 498901835 /nfs/dbraw/zinc/90/18/35/498901835.db2.gz XTDOUOWTSMECIG-RRMPHLOHSA-N 1 0 359.510 3.489 20 10 FGCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295154415 498926529 /nfs/dbraw/zinc/92/65/29/498926529.db2.gz FUBXSGKPDWUQQG-LJQANCHMSA-N 1 0 373.541 3.183 20 10 FGCDRO Cn1cc(C(=O)N2CC3(CCCC3)c3ccccc32)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333299252 498972220 /nfs/dbraw/zinc/97/22/20/498972220.db2.gz PULVVPIURRGVOR-MRXNPFEDSA-N 1 0 364.493 3.359 20 10 FGCDRO Cc1nnc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)s1 ZINC000291533692 498980211 /nfs/dbraw/zinc/98/02/11/498980211.db2.gz KMTLPPJZYZYJRL-UHFFFAOYSA-N 1 0 355.463 3.463 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)c1O ZINC000366690727 499035143 /nfs/dbraw/zinc/03/51/43/499035143.db2.gz QDCFHMGVUWQBFR-HZPDHXFCSA-N 1 0 352.862 3.030 20 10 FGCDRO Cn1cc(C(=O)N2CC3(CCC3)c3c2cccc3F)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333839574 499085387 /nfs/dbraw/zinc/08/53/87/499085387.db2.gz NZCJHJORBCPWAI-CQSZACIVSA-N 1 0 368.456 3.108 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c(C)n1-c1ccccn1 ZINC000366837726 499089770 /nfs/dbraw/zinc/08/97/70/499089770.db2.gz APHVROYBXXTIFR-HKUYNNGSSA-N 1 0 352.482 3.093 20 10 FGCDRO COc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000284385526 499098493 /nfs/dbraw/zinc/09/84/93/499098493.db2.gz OYOZPCJGDRTZRY-CQSZACIVSA-N 1 0 361.873 3.431 20 10 FGCDRO CN(C(=O)c1ccc(NCc2ccccc2O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000367041203 499138331 /nfs/dbraw/zinc/13/83/31/499138331.db2.gz SJHLOPVHIZJYPU-IBGZPJMESA-N 1 0 353.466 3.171 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000367413780 499196236 /nfs/dbraw/zinc/19/62/36/499196236.db2.gz WECNNSNEPWIREJ-UTKZUKDTSA-N 1 0 371.525 3.107 20 10 FGCDRO CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000367932535 499246786 /nfs/dbraw/zinc/24/67/86/499246786.db2.gz QHBRWJRVDJQKRE-UHFFFAOYSA-N 1 0 372.440 3.324 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[N@H+](C)[C@@H]4C3)ccc21 ZINC000368588867 499310838 /nfs/dbraw/zinc/31/08/38/499310838.db2.gz HHEDLBSXZNVHCQ-DYESRHJHSA-N 1 0 369.509 3.071 20 10 FGCDRO COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)cc1 ZINC000371422278 499324650 /nfs/dbraw/zinc/32/46/50/499324650.db2.gz DZYQMOHWGNSAEF-UTKZUKDTSA-N 1 0 373.449 3.116 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)ccc21 ZINC000371534248 499339122 /nfs/dbraw/zinc/33/91/22/499339122.db2.gz NDDXUCTXOBSANR-UWJYYQICSA-N 1 0 369.509 3.071 20 10 FGCDRO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000375399273 499513964 /nfs/dbraw/zinc/51/39/64/499513964.db2.gz AOEMATFBWIGSRP-FKBYEOEOSA-N 1 0 358.526 3.429 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1F ZINC000375408680 499515391 /nfs/dbraw/zinc/51/53/91/499515391.db2.gz JZHGTFITBWKZEU-YFVAEKQCSA-N 1 0 364.505 3.424 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)cc1C ZINC000378528910 499528676 /nfs/dbraw/zinc/52/86/76/499528676.db2.gz AZBLWVBBJADEJX-LJQANCHMSA-N 1 0 362.477 3.296 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C)c1ccccc1O ZINC000376046414 499578779 /nfs/dbraw/zinc/57/87/79/499578779.db2.gz IXCXTAIEYPTIBO-HZUJVAHNSA-N 1 0 370.497 3.003 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C)CCO[C@H]2C)C1 ZINC000436026117 501059297 /nfs/dbraw/zinc/05/92/97/501059297.db2.gz NLMKRHPHSPFJKJ-AOMKIAJQSA-N 1 0 369.509 3.092 20 10 FGCDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472223675 502276378 /nfs/dbraw/zinc/27/63/78/502276378.db2.gz UOUKWJIVAKVVQL-IRXDYDNUSA-N 1 0 354.498 3.255 20 10 FGCDRO CSC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000469124889 502307841 /nfs/dbraw/zinc/30/78/41/502307841.db2.gz QFRTVLVFBIZGOH-UHFFFAOYSA-N 1 0 371.550 3.420 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)C[NH+]3CCCC3)ccc21 ZINC000484736078 502725800 /nfs/dbraw/zinc/72/58/00/502725800.db2.gz ZLOFHQXGTYZCJW-INIZCTEOSA-N 1 0 371.525 3.366 20 10 FGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C)(N4CCOCC4)CC3)c2c1 ZINC000530105052 503838334 /nfs/dbraw/zinc/83/83/34/503838334.db2.gz PCKPBPLCIKDGLC-UHFFFAOYSA-N 1 0 370.493 3.241 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)c(O)c1 ZINC000527776218 503938879 /nfs/dbraw/zinc/93/88/79/503938879.db2.gz ZXTOJOAALRPYDP-SFHVURJKSA-N 1 0 356.466 3.164 20 10 FGCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000527990302 504029461 /nfs/dbraw/zinc/02/94/61/504029461.db2.gz MGZBFRRSGOBACJ-LLVKDONJSA-N 1 0 351.244 3.452 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1F ZINC000821197227 599456334 /nfs/dbraw/zinc/45/63/34/599456334.db2.gz HWRQFTAXGBDCJJ-UHFFFAOYSA-N 1 0 372.423 3.281 20 10 FGCDRO CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671864 600717965 /nfs/dbraw/zinc/71/79/65/600717965.db2.gz QAJFDFLFOLXJSW-OAHLLOKOSA-N 1 0 356.466 3.407 20 10 FGCDRO COCC[N@H+](Cc1ccco1)Cc1cc(Br)cc(OC)c1O ZINC000092561615 700437786 /nfs/dbraw/zinc/43/77/86/700437786.db2.gz KYCNMLGCYTUGAF-UHFFFAOYSA-N 1 0 370.243 3.405 20 10 FGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092710080 700440222 /nfs/dbraw/zinc/44/02/22/700440222.db2.gz CRUFJTNXTMQBSZ-ZDUSSCGKSA-N 1 0 369.303 3.283 20 10 FGCDRO Cc1csc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000092855872 700442023 /nfs/dbraw/zinc/44/20/23/700442023.db2.gz PPKKLVAPILCNMI-UHFFFAOYSA-N 1 0 356.539 3.273 20 10 FGCDRO C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000122348499 700688350 /nfs/dbraw/zinc/68/83/50/700688350.db2.gz IXVHOBJYZMWYFY-ZACQAIPSSA-N 1 0 361.555 3.117 20 10 FGCDRO CSCC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000123223644 700702011 /nfs/dbraw/zinc/70/20/11/700702011.db2.gz MSTDKMBQSMZKER-KRWDZBQOSA-N 1 0 355.511 3.379 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccsc2)c1O ZINC000124090767 700714654 /nfs/dbraw/zinc/71/46/54/700714654.db2.gz DNPZVEJYCIJBEA-HNNXBMFYSA-N 1 0 372.284 3.222 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125490684 700736587 /nfs/dbraw/zinc/73/65/87/700736587.db2.gz NTTHCFBUQCYYIW-JXFKEZNVSA-N 1 0 350.478 3.256 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128474417 700775821 /nfs/dbraw/zinc/77/58/21/700775821.db2.gz WDENVHMIYOGQHJ-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO CC(C)OC1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000130126166 700796775 /nfs/dbraw/zinc/79/67/75/700796775.db2.gz JAJVATIPDQUDCN-UHFFFAOYSA-N 1 0 350.478 3.488 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)c1O ZINC000130375492 700800713 /nfs/dbraw/zinc/80/07/13/700800713.db2.gz JCAJMVMWBQJGFL-MFKMUULPSA-N 1 0 370.243 3.358 20 10 FGCDRO O=C1[C@H]([NH2+]Cc2cc(Br)ccc2O)CCN1C1CCCCC1 ZINC000131632253 700817931 /nfs/dbraw/zinc/81/79/31/700817931.db2.gz QGQOYVZPWDNQER-OAHLLOKOSA-N 1 0 367.287 3.178 20 10 FGCDRO O=C(CCC(F)(F)F)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134258639 704817791 /nfs/dbraw/zinc/81/77/91/704817791.db2.gz MGOKGYDNBNKLOJ-CYBMUJFWSA-N 1 0 364.795 3.469 20 10 FGCDRO Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000134263031 704818622 /nfs/dbraw/zinc/81/86/22/704818622.db2.gz JMAMQNOZGOSGFV-QGZVFWFLSA-N 1 0 359.857 3.143 20 10 FGCDRO C[N@H+](CCNC(=O)NCCCSc1nccs1)C1CCCCC1 ZINC000152984482 704981481 /nfs/dbraw/zinc/98/14/81/704981481.db2.gz XYLZGTUHFIWGFN-UHFFFAOYSA-N 1 0 356.561 3.189 20 10 FGCDRO CC(C)[C@@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCCC1 ZINC000153275276 704991702 /nfs/dbraw/zinc/99/17/02/704991702.db2.gz LSSSJURPZBFSQG-CQSZACIVSA-N 1 0 356.561 3.045 20 10 FGCDRO O=S(=O)(CC[NH2+]Cc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000171128969 705375203 /nfs/dbraw/zinc/37/52/03/705375203.db2.gz OOZBMWMJNMCBRQ-UHFFFAOYSA-N 1 0 360.262 3.263 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000182360528 705837120 /nfs/dbraw/zinc/83/71/20/705837120.db2.gz XLPPPLVVRVJSET-LLVKDONJSA-N 1 0 371.405 3.248 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCc1ccc(Br)s1)OCO2 ZINC000227440071 713573034 /nfs/dbraw/zinc/57/30/34/713573034.db2.gz QEFWDWRVEWXMPE-UHFFFAOYSA-N 1 0 356.241 3.277 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000246326971 713621982 /nfs/dbraw/zinc/62/19/82/713621982.db2.gz FTJRUEREJWOYPP-CJNGLKHVSA-N 1 0 357.420 3.347 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000381406824 713978862 /nfs/dbraw/zinc/97/88/62/713978862.db2.gz WSYBAUIJPGWIQT-QWRGUYRKSA-N 1 0 358.866 3.446 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1O ZINC000779431952 724413128 /nfs/dbraw/zinc/41/31/28/724413128.db2.gz IKBJHPIMVWKZET-KGLIPLIRSA-N 1 0 372.303 3.392 20 10 FGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1O ZINC000775654968 724016707 /nfs/dbraw/zinc/01/67/07/724016707.db2.gz SGDDPEWKUPKTEL-UHFFFAOYSA-N 1 0 364.795 3.245 20 10 FGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000781921892 724613178 /nfs/dbraw/zinc/61/31/78/724613178.db2.gz XCROEVFBITXVIR-GOSISDBHSA-N 1 0 360.479 3.107 20 10 FGCDRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000734844126 722510473 /nfs/dbraw/zinc/51/04/73/722510473.db2.gz VEXDIHCNWCPDQQ-WMZOPIPTSA-N 1 0 351.368 3.246 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734843232 722510481 /nfs/dbraw/zinc/51/04/81/722510481.db2.gz HJPWESFWZRKEPQ-ROUUACIJSA-N 1 0 352.400 3.377 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000735744553 722519052 /nfs/dbraw/zinc/51/90/52/722519052.db2.gz SVGAVFUEYWFABO-MRXNPFEDSA-N 1 0 357.420 3.128 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000741678179 722548270 /nfs/dbraw/zinc/54/82/70/722548270.db2.gz LBVIAUXOBIDCPU-UHFFFAOYSA-N 1 0 356.495 3.234 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCCc1nnc(SC)n1CC(C)C ZINC000747099964 722631219 /nfs/dbraw/zinc/63/12/19/722631219.db2.gz NFHKKJZJEMGUQR-UHFFFAOYSA-N 1 0 364.515 3.093 20 10 FGCDRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(Br)cc1O ZINC000756569492 722966983 /nfs/dbraw/zinc/96/69/83/722966983.db2.gz PIDVGEUEKQNJHQ-VIFPVBQESA-N 1 0 355.198 3.299 20 10 FGCDRO c1ccc(CN2CCSC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000758478059 722990482 /nfs/dbraw/zinc/99/04/82/722990482.db2.gz DUWUKJMWBFMLOQ-HXUWFJFHSA-N 1 0 354.519 3.329 20 10 FGCDRO CCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1 ZINC000758521474 722991015 /nfs/dbraw/zinc/99/10/15/722991015.db2.gz GWMMOHKMRSFRSF-UHFFFAOYSA-N 1 0 369.870 3.138 20 10 FGCDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000789996414 723092635 /nfs/dbraw/zinc/09/26/35/723092635.db2.gz QGHPRIFKWCOFHC-QGZVFWFLSA-N 1 0 359.857 3.143 20 10 FGCDRO Cc1ccc2nc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cn2c1 ZINC000790520739 723148353 /nfs/dbraw/zinc/14/83/53/723148353.db2.gz ZDKBWIQRSRRUDO-UHFFFAOYSA-N 1 0 352.507 3.486 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccsc3Cl)CC2)cc1 ZINC000790958783 723199626 /nfs/dbraw/zinc/19/96/26/723199626.db2.gz SDUYXKVCNHWZDT-UHFFFAOYSA-N 1 0 365.930 3.322 20 10 FGCDRO Cc1[nH+]ccc(NCc2ccc(N3CCOCC3)cc2)c1Br ZINC000792690765 723357275 /nfs/dbraw/zinc/35/72/75/723357275.db2.gz GXRNSAJQMYVTOH-UHFFFAOYSA-N 1 0 362.271 3.023 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CC(=O)NC2CCCCC2)c(C(F)(F)F)c1 ZINC000792960680 723387277 /nfs/dbraw/zinc/38/72/77/723387277.db2.gz OYFMCPQCXKCCDS-UHFFFAOYSA-N 1 0 357.420 3.310 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1F ZINC000765287617 723502428 /nfs/dbraw/zinc/50/24/28/723502428.db2.gz WNOAFXLEPPCADI-QGZVFWFLSA-N 1 0 367.262 3.477 20 10 FGCDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977937 723549555 /nfs/dbraw/zinc/54/95/55/723549555.db2.gz KPOHKWCBHZMNCB-WOJBJXKFSA-N 1 0 364.555 3.226 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000765980941 723549963 /nfs/dbraw/zinc/54/99/63/723549963.db2.gz VAJKBSPSBVYDOO-QGZVFWFLSA-N 1 0 358.507 3.081 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1O ZINC000766490045 723576865 /nfs/dbraw/zinc/57/68/65/723576865.db2.gz DSVDWYGVRVXSAZ-GFCCVEGCSA-N 1 0 364.804 3.088 20 10 FGCDRO C[C@](O)(C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1)C(F)(F)F ZINC000767504608 723621362 /nfs/dbraw/zinc/62/13/62/723621362.db2.gz IPVMCEHKQIHDJK-KRWDZBQOSA-N 1 0 354.372 3.466 20 10 FGCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308469 723631974 /nfs/dbraw/zinc/63/19/74/723631974.db2.gz CLLJDCBCGTWDSM-HRAATJIYSA-N 1 0 356.535 3.451 20 10 FGCDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308474 723631994 /nfs/dbraw/zinc/63/19/94/723631994.db2.gz CLLJDCBCGTWDSM-KKSFZXQISA-N 1 0 356.535 3.451 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCN2CCCC(C)(C)C2)c1O ZINC000767741111 723632061 /nfs/dbraw/zinc/63/20/61/723632061.db2.gz XFGWYDIEDQZXED-UHFFFAOYSA-N 1 0 371.319 3.375 20 10 FGCDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000769466635 723686500 /nfs/dbraw/zinc/68/65/00/723686500.db2.gz OQCGKUYQRHIKLR-NEPJUHHUSA-N 1 0 357.292 3.078 20 10 FGCDRO CC[C@@H]1CN(Cc2cccc(Br)c2[O-])CCN1CC(F)F ZINC000769513290 723688273 /nfs/dbraw/zinc/68/82/73/723688273.db2.gz AXXFBZJDYXZNEF-GFCCVEGCSA-N 1 0 363.246 3.316 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000769541819 723689370 /nfs/dbraw/zinc/68/93/70/723689370.db2.gz VZGQUGXJAGMDKW-CQSZACIVSA-N 1 0 350.459 3.232 20 10 FGCDRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000797581995 723837800 /nfs/dbraw/zinc/83/78/00/723837800.db2.gz HHQNGCUPYCTYAF-HQRMLTQVSA-N 1 0 364.555 3.226 20 10 FGCDRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1O ZINC000798935006 723977084 /nfs/dbraw/zinc/97/70/84/723977084.db2.gz JAHIRKMDJUFAQO-ZDUSSCGKSA-N 1 0 368.886 3.065 20 10 FGCDRO CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)ccc1O ZINC000775521055 723997823 /nfs/dbraw/zinc/99/78/23/723997823.db2.gz OPGIKXPVOWTVAH-AWEZNQCLSA-N 1 0 355.276 3.254 20 10 FGCDRO CC[C@H]([NH2+]CCc1nncn1CC)c1cc(Br)ccc1O ZINC000775524923 723998137 /nfs/dbraw/zinc/99/81/37/723998137.db2.gz UTONIPBOHHCHGR-ZDUSSCGKSA-N 1 0 353.264 3.050 20 10 FGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000775662478 724018159 /nfs/dbraw/zinc/01/81/59/724018159.db2.gz TXPVKKLQUUQMDP-DAYGRLMNSA-N 1 0 352.906 3.428 20 10 FGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000775662495 724019332 /nfs/dbraw/zinc/01/93/32/724019332.db2.gz TXPVKKLQUUQMDP-RVKKMQEKSA-N 1 0 352.906 3.428 20 10 FGCDRO Cc1cc(Cl)cc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1O ZINC000775666376 724019956 /nfs/dbraw/zinc/01/99/56/724019956.db2.gz XBFQNQXJARQKDK-IAGOWNOFSA-N 1 0 365.949 3.344 20 10 FGCDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000775832089 724068649 /nfs/dbraw/zinc/06/86/49/724068649.db2.gz XOHAKJKAAMKXTF-DZGCQCFKSA-N 1 0 357.420 3.204 20 10 FGCDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000775998506 724095900 /nfs/dbraw/zinc/09/59/00/724095900.db2.gz FQBUEOPFCMKFPG-NWDGAFQWSA-N 1 0 356.850 3.011 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000776807511 724185047 /nfs/dbraw/zinc/18/50/47/724185047.db2.gz ITDYMMXSTFAEMC-CABCVRRESA-N 1 0 350.459 3.138 20 10 FGCDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000800397858 724191341 /nfs/dbraw/zinc/19/13/41/724191341.db2.gz XVAPIJAUGHTUGY-OAHLLOKOSA-N 1 0 357.523 3.442 20 10 FGCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000776953476 724198546 /nfs/dbraw/zinc/19/85/46/724198546.db2.gz NKNVDBSKVUPYHL-ROUUACIJSA-N 1 0 350.478 3.346 20 10 FGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800492681 724202659 /nfs/dbraw/zinc/20/26/59/724202659.db2.gz DYQYVDQEFCBBPD-HUUCEWRRSA-N 1 0 372.962 3.489 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CC[NH+](C)C)cc2Cl)C1 ZINC000800720601 724223972 /nfs/dbraw/zinc/22/39/72/724223972.db2.gz VCPMYABBZXWYLC-OAHLLOKOSA-N 1 0 366.937 3.279 20 10 FGCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1c(O)ccc2ccncc21 ZINC000800850539 724237332 /nfs/dbraw/zinc/23/73/32/724237332.db2.gz WIJKUGWSMZNZCO-UHFFFAOYSA-N 1 0 355.463 3.140 20 10 FGCDRO C[C@H]1CC(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)O1 ZINC000801732423 724328757 /nfs/dbraw/zinc/32/87/57/724328757.db2.gz KHKCWYVNGKEFMT-HOTGVXAUSA-N 1 0 350.478 3.346 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000785615208 724925769 /nfs/dbraw/zinc/92/57/69/724925769.db2.gz LXQGHZAHAJABJM-LJQANCHMSA-N 1 0 364.848 3.139 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@H](OC)C(F)(F)F)c1O ZINC000786823760 725002211 /nfs/dbraw/zinc/00/22/11/725002211.db2.gz NMAMCRBFEPBRJJ-NSHDSACASA-N 1 0 372.181 3.220 20 10 FGCDRO CCn1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)c1=O ZINC000788608886 725075697 /nfs/dbraw/zinc/07/56/97/725075697.db2.gz QVYZWKVRZXELLF-NSHDSACASA-N 1 0 351.244 3.187 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000806155941 725118722 /nfs/dbraw/zinc/11/87/22/725118722.db2.gz WIMDXUOXELYVLL-SJORKVTESA-N 1 0 369.937 3.179 20 10 FGCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000806663858 725140024 /nfs/dbraw/zinc/14/00/24/725140024.db2.gz WJKLRCPCRBPTKB-PBHICJAKSA-N 1 0 367.534 3.334 20 10 FGCDRO COc1cc(Br)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000809703099 725260494 /nfs/dbraw/zinc/26/04/94/725260494.db2.gz DDKHAUGKGAECHE-WFASDCNBSA-N 1 0 369.303 3.222 20 10 FGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1O ZINC000809737643 725263840 /nfs/dbraw/zinc/26/38/40/725263840.db2.gz KNIJFCPBFMENSV-UHFFFAOYSA-N 1 0 350.409 3.243 20 10 FGCDRO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000809755613 725265523 /nfs/dbraw/zinc/26/55/23/725265523.db2.gz MPVLBCYFMLJZBZ-CYBMUJFWSA-N 1 0 353.850 3.118 20 10 FGCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000809777894 725267809 /nfs/dbraw/zinc/26/78/09/725267809.db2.gz ICBOHFQJKNLMRS-AWEZNQCLSA-N 1 0 369.303 3.201 20 10 FGCDRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000810144989 725292585 /nfs/dbraw/zinc/29/25/85/725292585.db2.gz OFZHZKCESPPZQY-QFBILLFUSA-N 1 0 362.539 3.003 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(C(F)(F)F)cc1O ZINC000810216446 725297313 /nfs/dbraw/zinc/29/73/13/725297313.db2.gz VYHWAXJIDIMHOU-TZMCWYRMSA-N 1 0 354.376 3.367 20 10 FGCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811977803 725386393 /nfs/dbraw/zinc/38/63/93/725386393.db2.gz RWQUHZKTRRUXKF-LBPRGKRZSA-N 1 0 372.307 3.074 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCOc3ccc(Cl)cn3)CC2)cc1 ZINC000812838182 726817543 /nfs/dbraw/zinc/81/75/43/726817543.db2.gz MEMRVLNQMWEKSK-UHFFFAOYSA-N 1 0 361.873 3.381 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000814177819 726945039 /nfs/dbraw/zinc/94/50/39/726945039.db2.gz QAOASHOZSPHQPS-OAHLLOKOSA-N 1 0 370.218 3.126 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sccc3F)cc2F)CC1 ZINC000815493465 727078578 /nfs/dbraw/zinc/07/85/78/727078578.db2.gz ILLFHOHZBDHHEM-UHFFFAOYSA-N 1 0 365.449 3.098 20 10 FGCDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816531192 727172219 /nfs/dbraw/zinc/17/22/19/727172219.db2.gz IMTUSRSLJKKTKU-UHFFFAOYSA-N 1 0 356.447 3.207 20 10 FGCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000816625352 727181967 /nfs/dbraw/zinc/18/19/67/727181967.db2.gz BCYIHGVQHDAJKF-NSHDSACASA-N 1 0 357.292 3.105 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000816667347 727187604 /nfs/dbraw/zinc/18/76/04/727187604.db2.gz KRVVEDSYORAMAB-PMACEKPBSA-N 1 0 350.478 3.082 20 10 FGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)CCOCC1 ZINC000817588148 727268609 /nfs/dbraw/zinc/26/86/09/727268609.db2.gz MBUHPJRULJYXFR-VXGBXAGGSA-N 1 0 358.276 3.389 20 10 FGCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817931302 727288417 /nfs/dbraw/zinc/28/84/17/727288417.db2.gz QLHHPAOOTQHRJJ-JFIYKMOQSA-N 1 0 365.949 3.433 20 10 FGCDRO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982674 727290358 /nfs/dbraw/zinc/29/03/58/727290358.db2.gz VIMBEUAEENNHTG-AUUYWEPGSA-N 1 0 351.922 3.345 20 10 FGCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404136 729276634 /nfs/dbraw/zinc/27/66/34/729276634.db2.gz MIIBZNSMEKTTSR-IBGZPJMESA-N 1 0 357.523 3.485 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CCN2CCOCC2)cc1 ZINC000823433575 729280302 /nfs/dbraw/zinc/28/03/02/729280302.db2.gz XTFAOSMQTLUSAS-UHFFFAOYSA-N 1 0 359.539 3.149 20 10 FGCDRO COc1cc(N2CC[NH+](Cc3csc(C)c3)CC2)cc(OC)c1OC ZINC000824166968 729322156 /nfs/dbraw/zinc/32/21/56/729322156.db2.gz KMIQQBVJOIOKJI-UHFFFAOYSA-N 1 0 362.495 3.405 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CCCOCC2)cc1 ZINC000824389943 729335661 /nfs/dbraw/zinc/33/56/61/729335661.db2.gz WVEWKGQMEPWXGY-UHFFFAOYSA-N 1 0 359.539 3.196 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824635273 729351901 /nfs/dbraw/zinc/35/19/01/729351901.db2.gz FZPFJLBHKGXOES-APWZRJJASA-N 1 0 365.832 3.354 20 10 FGCDRO COc1cccc(O)c1CNc1cc(N(C)C)c(Br)c[nH+]1 ZINC000825104409 729370963 /nfs/dbraw/zinc/37/09/63/729370963.db2.gz WEUVJLVGGQQDKW-UHFFFAOYSA-N 1 0 352.232 3.236 20 10 FGCDRO CC(C)OC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825283916 729377075 /nfs/dbraw/zinc/37/70/75/729377075.db2.gz UQHMBCMAKJXWQO-UHFFFAOYSA-N 1 0 371.275 3.254 20 10 FGCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc(Cl)cc(OC)c2O)c1 ZINC000825305454 729378004 /nfs/dbraw/zinc/37/80/04/729378004.db2.gz JKWUNEYWTBKTFZ-UHFFFAOYSA-N 1 0 365.857 3.447 20 10 FGCDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cc(Br)ccc1O ZINC000825893292 729398723 /nfs/dbraw/zinc/39/87/23/729398723.db2.gz UWSXLFVPUWUGPS-OAHLLOKOSA-N 1 0 358.276 3.076 20 10 FGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000826815670 729416167 /nfs/dbraw/zinc/41/61/67/729416167.db2.gz NUXBLQQRHFENIK-UHFFFAOYSA-N 1 0 356.869 3.165 20 10 FGCDRO COC(=O)c1nc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)ccc1Cl ZINC000826977176 729420557 /nfs/dbraw/zinc/42/05/57/729420557.db2.gz FKKITKYIZFWZBC-SNAWJCMRSA-N 1 0 359.857 3.391 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1O ZINC000827594385 729432140 /nfs/dbraw/zinc/43/21/40/729432140.db2.gz FZKKRGUYQWWSGJ-KRWDZBQOSA-N 1 0 372.303 3.120 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCSC4)C3)cc2)CC1 ZINC000829250577 729470212 /nfs/dbraw/zinc/47/02/12/729470212.db2.gz SIHAMYBXHJEYDZ-FQEVSTJZSA-N 1 0 362.539 3.010 20 10 FGCDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266261 729700759 /nfs/dbraw/zinc/70/07/59/729700759.db2.gz DLZMNCWWRFLFBL-IFXJQAMLSA-N 1 0 359.901 3.401 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)c2cccc(Cl)c2)cc1 ZINC000832267597 729700983 /nfs/dbraw/zinc/70/09/83/729700983.db2.gz XAWQTEDLXOOLKV-GOSISDBHSA-N 1 0 359.901 3.500 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000832284341 729702079 /nfs/dbraw/zinc/70/20/79/729702079.db2.gz JBHXGSKIUDEZIE-MRXNPFEDSA-N 1 0 351.372 3.201 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834808258 729835817 /nfs/dbraw/zinc/83/58/17/729835817.db2.gz YRDBJVSMUVMDJV-KKUMJFAQSA-N 1 0 350.434 3.317 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000835043484 729852494 /nfs/dbraw/zinc/85/24/94/729852494.db2.gz VIMIJEMYQHKMKA-SNAWJCMRSA-N 1 0 358.507 3.100 20 10 FGCDRO CN(C)c1ccc(/C=C/CN2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000835055626 729853655 /nfs/dbraw/zinc/85/36/55/729853655.db2.gz LXWBLRFHXRWQKH-GHOSXJJBSA-N 1 0 350.528 3.055 20 10 FGCDRO Cc1cc(O)c(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000840909134 730189958 /nfs/dbraw/zinc/18/99/58/730189958.db2.gz PQKIJQRWVRXGFR-ZWKOTPCHSA-N 1 0 352.906 3.212 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000840956085 730197041 /nfs/dbraw/zinc/19/70/41/730197041.db2.gz KABCYERYJPQVGG-UHFFFAOYSA-N 1 0 369.870 3.138 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1O ZINC000840964261 730198204 /nfs/dbraw/zinc/19/82/04/730198204.db2.gz VPDMYMSYYKCPNQ-AWEZNQCLSA-N 1 0 368.246 3.468 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840975791 730199732 /nfs/dbraw/zinc/19/97/32/730199732.db2.gz LQSSPKDVPZCWSQ-CQSZACIVSA-N 1 0 366.552 3.247 20 10 FGCDRO COc1cc(Br)c(C[NH2+]CCc2ccc(N)cc2)c(OC)c1 ZINC000841036494 730205068 /nfs/dbraw/zinc/20/50/68/730205068.db2.gz SUUFYXVIPOFWCY-UHFFFAOYSA-N 1 0 365.271 3.381 20 10 FGCDRO COc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000841044612 730205660 /nfs/dbraw/zinc/20/56/60/730205660.db2.gz WTDGTNMRJKUOIL-INIZCTEOSA-N 1 0 363.889 3.213 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1F ZINC000841799131 730275548 /nfs/dbraw/zinc/27/55/48/730275548.db2.gz PXOWIOXSBHKQET-MRXNPFEDSA-N 1 0 350.482 3.003 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000841849160 730281244 /nfs/dbraw/zinc/28/12/44/730281244.db2.gz YETWWTJTFPJBEV-SFHVURJKSA-N 1 0 360.889 3.067 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)cc2Cl)C1 ZINC000841896887 730283962 /nfs/dbraw/zinc/28/39/62/730283962.db2.gz OKTOMFFDUCJGRV-SUMWQHHRSA-N 1 0 364.921 3.113 20 10 FGCDRO C[NH2+][C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843044746 730573460 /nfs/dbraw/zinc/57/34/60/730573460.db2.gz HRCNLJFNQALHGY-HNNXBMFYSA-N 1 0 352.320 3.233 20 10 FGCDRO C[NH2+][C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843044747 730573574 /nfs/dbraw/zinc/57/35/74/730573574.db2.gz HRCNLJFNQALHGY-OAHLLOKOSA-N 1 0 352.320 3.233 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000843114144 730587582 /nfs/dbraw/zinc/58/75/82/730587582.db2.gz DJVRMOCVPSFECW-MRXNPFEDSA-N 1 0 362.271 3.005 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000843115218 730587625 /nfs/dbraw/zinc/58/76/25/730587625.db2.gz PGSNFSSIKDQVFX-DOTOQJQBSA-N 1 0 361.283 3.390 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1O ZINC000843118293 730587989 /nfs/dbraw/zinc/58/79/89/730587989.db2.gz XORWLVXTFJPIJX-MRXNPFEDSA-N 1 0 362.271 3.005 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125005 730588401 /nfs/dbraw/zinc/58/84/01/730588401.db2.gz KXVFDXRNXNSUDD-ZIAGYGMSSA-N 1 0 353.304 3.285 20 10 FGCDRO Cc1ccc(SCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000843297797 730605960 /nfs/dbraw/zinc/60/59/60/730605960.db2.gz JWGYFZLIUOTOQV-IBGZPJMESA-N 1 0 357.523 3.359 20 10 FGCDRO CC(C)C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)[NH+](C)C ZINC000844168759 730690374 /nfs/dbraw/zinc/69/03/74/730690374.db2.gz VSWFFFQRHNJKAF-INIZCTEOSA-N 1 0 360.527 3.022 20 10 FGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000844400047 730712840 /nfs/dbraw/zinc/71/28/40/730712840.db2.gz UDNXPEWSZAHABV-IBGZPJMESA-N 1 0 350.409 3.075 20 10 FGCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845065602 730807009 /nfs/dbraw/zinc/80/70/09/730807009.db2.gz FJTFFMYPSPQQHY-CQSZACIVSA-N 1 0 353.894 3.213 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000848516676 731174283 /nfs/dbraw/zinc/17/42/83/731174283.db2.gz ATIXVGQHZPYLNT-JOYOIKCWSA-N 1 0 356.216 3.141 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000848517936 731174287 /nfs/dbraw/zinc/17/42/87/731174287.db2.gz HSJTVKPCSWGYSM-QWRGUYRKSA-N 1 0 354.248 3.099 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOCC(F)(F)F)c1O ZINC000848527263 731175512 /nfs/dbraw/zinc/17/55/12/731175512.db2.gz XCRIVQIEUDCDCF-MRVPVSSYSA-N 1 0 372.181 3.393 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000848535240 731177243 /nfs/dbraw/zinc/17/72/43/731177243.db2.gz FGMULXNBQQJJAV-JOYOIKCWSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1ccncc1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848551054 731180104 /nfs/dbraw/zinc/18/01/04/731180104.db2.gz CFIBCHNGBXUMDT-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO COc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(O)c1 ZINC000849095626 731228822 /nfs/dbraw/zinc/22/88/22/731228822.db2.gz GGVSPNZMXUGQSD-UHFFFAOYSA-N 1 0 355.316 3.436 20 10 FGCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000850135475 731324148 /nfs/dbraw/zinc/32/41/48/731324148.db2.gz LWJQCUVCNDFLLV-IEBWSBKVSA-N 1 0 364.555 3.370 20 10 FGCDRO COc1cc(C[NH2+]CCc2cn3c(n2)SCC3)c(O)c(C(C)(C)C)c1 ZINC000850249252 731335295 /nfs/dbraw/zinc/33/52/95/731335295.db2.gz VKGIBOPALYGPMK-UHFFFAOYSA-N 1 0 361.511 3.333 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](C)c2ccccn2)c1O ZINC000850342938 731344591 /nfs/dbraw/zinc/34/45/91/731344591.db2.gz WGZWLXDSSGUUMZ-LLVKDONJSA-N 1 0 351.244 3.452 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(Cl)nc(Cl)n3C)C2)cc1 ZINC000850345644 731345012 /nfs/dbraw/zinc/34/50/12/731345012.db2.gz GYUYJXPHKWNOFL-NSHDSACASA-N 1 0 355.269 3.104 20 10 FGCDRO CC1(C)CCC[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000850355772 731347674 /nfs/dbraw/zinc/34/76/74/731347674.db2.gz KBBABOZEYCCVCI-SFHVURJKSA-N 1 0 364.555 3.227 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000850547177 731371565 /nfs/dbraw/zinc/37/15/65/731371565.db2.gz RSODGQXXBPYXDS-QCZZGDTMSA-N 1 0 356.260 3.117 20 10 FGCDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000852921420 731644286 /nfs/dbraw/zinc/64/42/86/731644286.db2.gz MMTJOKUZYUTXMW-LLVKDONJSA-N 1 0 364.287 3.194 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(F)c(F)c3F)SC2=S)CC1 ZINC000853000149 731648492 /nfs/dbraw/zinc/64/84/92/731648492.db2.gz DYXRUPYVGOJKPQ-XYOKQWHBSA-N 1 0 372.437 3.399 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000853084242 731662310 /nfs/dbraw/zinc/66/23/10/731662310.db2.gz GDNFKBDUMZGQOF-IBGZPJMESA-N 1 0 350.459 3.280 20 10 FGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858148701 732186189 /nfs/dbraw/zinc/18/61/89/732186189.db2.gz HUUBSOQODDAMSE-ZBUHCNDUSA-N 1 0 360.317 3.324 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(Br)cnc2OC)c1O ZINC000858494842 732220403 /nfs/dbraw/zinc/22/04/03/732220403.db2.gz OTUCNVVSMWLISS-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO CCOC(=O)CC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862223354 732789186 /nfs/dbraw/zinc/78/91/86/732789186.db2.gz CNWXJEPKLXYNGS-UHFFFAOYSA-N 1 0 356.260 3.320 20 10 FGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237581 732793575 /nfs/dbraw/zinc/79/35/75/732793575.db2.gz SXAFGSJZNNYMQL-CYBMUJFWSA-N 1 0 369.303 3.283 20 10 FGCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000863652201 732990436 /nfs/dbraw/zinc/99/04/36/732990436.db2.gz QWLCTMLBEVUGJD-XJKSGUPXSA-N 1 0 352.320 3.279 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H](O)C(F)(F)F ZINC000866463577 733352877 /nfs/dbraw/zinc/35/28/77/733352877.db2.gz BOPQILIXWPJVQG-RWSFTLGLSA-N 1 0 366.811 3.139 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000866535507 733362673 /nfs/dbraw/zinc/36/26/73/733362673.db2.gz DZQKHDLOIIKFLV-ZIAGYGMSSA-N 1 0 363.479 3.259 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c2c1c(F)ccc2O ZINC000872118665 735591358 /nfs/dbraw/zinc/59/13/58/735591358.db2.gz FGXQZCBZQYBPSZ-ZWOWXGAWSA-N 1 0 353.459 3.025 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228088 735740838 /nfs/dbraw/zinc/74/08/38/735740838.db2.gz PFASZCUFTGJNOR-WDEREUQCSA-N 1 0 367.209 3.032 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccsc2C(F)(F)F)cc1 ZINC000876505688 736108072 /nfs/dbraw/zinc/10/80/72/736108072.db2.gz ANGHKSBJZAPECG-ZDUSSCGKSA-N 1 0 357.401 3.263 20 10 FGCDRO COCCc1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000876531719 736110109 /nfs/dbraw/zinc/11/01/09/736110109.db2.gz NCWCFSLYPJOLHF-MRXNPFEDSA-N 1 0 362.495 3.219 20 10 FGCDRO COc1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000876946959 736166425 /nfs/dbraw/zinc/16/64/25/736166425.db2.gz YFIAHXYETYCPKN-CHWSQXEVSA-N 1 0 365.474 3.194 20 10 FGCDRO CCOC1CC(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000876945342 736166484 /nfs/dbraw/zinc/16/64/84/736166484.db2.gz ANUPFSPKLYRXEN-QEFXCSQDSA-N 1 0 350.478 3.344 20 10 FGCDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130740 736191285 /nfs/dbraw/zinc/19/12/85/736191285.db2.gz SWSHHKQNVVCMND-KXBFYZLASA-N 1 0 360.523 3.311 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Br)cc1O ZINC000883276130 737544647 /nfs/dbraw/zinc/54/46/47/737544647.db2.gz GMKVJEZBUKFICP-DGCLKSJQSA-N 1 0 354.244 3.250 20 10 FGCDRO CC[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000883309467 737552350 /nfs/dbraw/zinc/55/23/50/737552350.db2.gz NIGMLJLOTWMWND-JSGCOSHPSA-N 1 0 365.417 3.419 20 10 FGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000886142554 739222403 /nfs/dbraw/zinc/22/24/03/739222403.db2.gz FPLFNQOQOXMRTR-CVEARBPZSA-N 1 0 354.441 3.239 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1F ZINC000886300248 739242139 /nfs/dbraw/zinc/24/21/39/739242139.db2.gz DDTPADBZDXUPON-KRWDZBQOSA-N 1 0 350.478 3.347 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891248320 739886035 /nfs/dbraw/zinc/88/60/35/739886035.db2.gz KOVBECRLTQZSGQ-PBHICJAKSA-N 1 0 353.457 3.297 20 10 FGCDRO COc1ccc(C[NH2+]CCc2ccc(OC(F)F)cc2)c(O)c1OC ZINC000892449776 740001734 /nfs/dbraw/zinc/00/17/34/740001734.db2.gz YKBYPELHCRAQLT-UHFFFAOYSA-N 1 0 353.365 3.343 20 10 FGCDRO COc1cc(C)cc(C[NH2+]CCCCn2cc(Br)cn2)c1O ZINC000894597562 742303123 /nfs/dbraw/zinc/30/31/23/742303123.db2.gz MXKSAXQTZRPFFG-UHFFFAOYSA-N 1 0 368.275 3.238 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894940191 742354361 /nfs/dbraw/zinc/35/43/61/742354361.db2.gz RCOPOBBLEAXZSA-IPELMVKDSA-N 1 0 350.478 3.215 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1O ZINC000896920504 742615951 /nfs/dbraw/zinc/61/59/51/742615951.db2.gz IRDCTVYBWNBFLY-HNNXBMFYSA-N 1 0 370.287 3.281 20 10 FGCDRO COC(C)(C)c1nsc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897522752 742685585 /nfs/dbraw/zinc/68/55/85/742685585.db2.gz OEBAUMPVQXTNPE-OAHLLOKOSA-N 1 0 363.531 3.200 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)Cc2cccnc2)c1O ZINC000897969050 742729683 /nfs/dbraw/zinc/72/96/83/742729683.db2.gz CNIDUFFUZZLZSV-LLVKDONJSA-N 1 0 351.244 3.279 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Br)ccc1O ZINC000903390657 743843973 /nfs/dbraw/zinc/84/39/73/743843973.db2.gz SPAYQUPUIATUDT-ABAIWWIYSA-N 1 0 356.260 3.143 20 10 FGCDRO O=S(=O)(Nc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1)C1CC1 ZINC000903425498 743849076 /nfs/dbraw/zinc/84/90/76/743849076.db2.gz HCCWCJHSBAXGGS-KRWDZBQOSA-N 1 0 358.463 3.073 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(C)cc1O ZINC000903434674 743850919 /nfs/dbraw/zinc/85/09/19/743850919.db2.gz NURWSDYFBRBNSK-JSGCOSHPSA-N 1 0 362.861 3.169 20 10 FGCDRO Cc1ccccc1NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905531863 744030470 /nfs/dbraw/zinc/03/04/70/744030470.db2.gz WMBHRTYVNWYVBI-UHFFFAOYSA-N 1 0 354.523 3.233 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000922078492 758846627 /nfs/dbraw/zinc/84/66/27/758846627.db2.gz VHQLOMWPGOTCQB-UHFFFAOYSA-N 1 0 351.493 3.157 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cn(C)cn1 ZINC000924905697 759415142 /nfs/dbraw/zinc/41/51/42/759415142.db2.gz ISTNAHWVWIYYDC-ZDUSSCGKSA-N 1 0 350.413 3.341 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CC2(n3cc(Br)cn3)CC2)c1O ZINC000927005114 759874083 /nfs/dbraw/zinc/87/40/83/759874083.db2.gz ITFNRFNCHGZDSL-LLVKDONJSA-N 1 0 366.259 3.200 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1O ZINC000779023944 724382032 /nfs/dbraw/zinc/38/20/32/724382032.db2.gz IDEGOPFORSAGOV-QWHCGFSZSA-N 1 0 358.276 3.167 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000779033796 724383003 /nfs/dbraw/zinc/38/30/03/724383003.db2.gz ZVGZBTJDTHKDNY-WCQYABFASA-N 1 0 355.276 3.123 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000779040394 724383828 /nfs/dbraw/zinc/38/38/28/724383828.db2.gz IDZCDSFEHIHTQP-NSHDSACASA-N 1 0 365.275 3.170 20 10 FGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000068973660 493902206 /nfs/dbraw/zinc/90/22/06/493902206.db2.gz LJDPPKDCQRZRGA-LJQANCHMSA-N 1 0 372.465 3.003 20 10 FGCDRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000007362373 494017795 /nfs/dbraw/zinc/01/77/95/494017795.db2.gz PVIKZGQZBVMQLS-UHFFFAOYSA-N 1 0 368.481 3.172 20 10 FGCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000089636711 494334816 /nfs/dbraw/zinc/33/48/16/494334816.db2.gz ZWBPVFUCXSEPPF-LSDHHAIUSA-N 1 0 356.507 3.290 20 10 FGCDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010337 494754240 /nfs/dbraw/zinc/75/42/40/494754240.db2.gz FQJJUQJBEJYRHX-TZIWHRDSSA-N 1 0 368.525 3.356 20 10 FGCDRO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000111235994 495053286 /nfs/dbraw/zinc/05/32/86/495053286.db2.gz RYDAZEVJLVWRJW-OAHLLOKOSA-N 1 0 372.465 3.027 20 10 FGCDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000128924577 495169049 /nfs/dbraw/zinc/16/90/49/495169049.db2.gz FOMGZHUIPWNMRF-SFHVURJKSA-N 1 0 368.525 3.221 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O ZINC000124174104 495245710 /nfs/dbraw/zinc/24/57/10/495245710.db2.gz XXFIZJRFZAZMBL-INIZCTEOSA-N 1 0 356.470 3.098 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2n1C ZINC000124278025 495262058 /nfs/dbraw/zinc/26/20/58/495262058.db2.gz WRZLCHKSOOWXFG-OAHLLOKOSA-N 1 0 368.456 3.400 20 10 FGCDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000120083069 495303362 /nfs/dbraw/zinc/30/33/62/495303362.db2.gz ROSYIFFBHJBROT-QGZVFWFLSA-N 1 0 359.857 3.107 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)c1 ZINC000130076895 495338480 /nfs/dbraw/zinc/33/84/80/495338480.db2.gz NCZCDSHQVNFUGP-ZFWWWQNUSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1[O-] ZINC000185372158 495553357 /nfs/dbraw/zinc/55/33/57/495553357.db2.gz GAJAMBZBXBBFAK-HNNXBMFYSA-N 1 0 358.457 3.339 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000185654867 495663976 /nfs/dbraw/zinc/66/39/76/495663976.db2.gz GSMOEYPODWAOSR-AWEZNQCLSA-N 1 0 356.470 3.127 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000151069854 495729398 /nfs/dbraw/zinc/72/93/98/495729398.db2.gz IESVCWODUWWQGF-IVCQMTBJSA-N 1 0 358.507 3.111 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)n1-c1ccccn1 ZINC000154795487 495730950 /nfs/dbraw/zinc/73/09/50/495730950.db2.gz NXTTVFGTAKRXJU-IEBWSBKVSA-N 1 0 352.482 3.045 20 10 FGCDRO COc1ccc(O)c(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1 ZINC000179817763 495746575 /nfs/dbraw/zinc/74/65/75/495746575.db2.gz DVUGVCGGCRRNCG-GOSISDBHSA-N 1 0 351.406 3.392 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000183046165 495811888 /nfs/dbraw/zinc/81/18/88/495811888.db2.gz CPOBHEKORKIRPU-KBPBESRZSA-N 1 0 350.413 3.341 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccccc1O ZINC000155321402 495919292 /nfs/dbraw/zinc/91/92/92/495919292.db2.gz YWGIYLJZCNEFBQ-NRFANRHFSA-N 1 0 370.493 3.344 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000172115777 496172102 /nfs/dbraw/zinc/17/21/02/496172102.db2.gz RZDSXCNEZSIKLB-IAGOWNOFSA-N 1 0 368.477 3.240 20 10 FGCDRO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000161729564 496228633 /nfs/dbraw/zinc/22/86/33/496228633.db2.gz GDQZQEMSGAJWMY-UHFFFAOYSA-N 1 0 356.514 3.312 20 10 FGCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000178189466 496362560 /nfs/dbraw/zinc/36/25/60/496362560.db2.gz BDPYUWLKZRWTIT-AWEZNQCLSA-N 1 0 360.420 3.447 20 10 FGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157024843 496388682 /nfs/dbraw/zinc/38/86/82/496388682.db2.gz JSWMEGGZKIBZIG-AUUYWEPGSA-N 1 0 364.486 3.282 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C ZINC000181562806 496447578 /nfs/dbraw/zinc/44/75/78/496447578.db2.gz FLLQZVUGCBFYJN-RTBURBONSA-N 1 0 350.478 3.080 20 10 FGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C ZINC000181562788 496447777 /nfs/dbraw/zinc/44/77/77/496447777.db2.gz FLLQZVUGCBFYJN-OALUTQOASA-N 1 0 350.478 3.080 20 10 FGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685374 496492239 /nfs/dbraw/zinc/49/22/39/496492239.db2.gz PTHCUUJQHBQINC-CYBMUJFWSA-N 1 0 354.878 3.183 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1O ZINC000184688095 496493362 /nfs/dbraw/zinc/49/33/62/496493362.db2.gz LALMDKRBBYMBOH-UHFFFAOYSA-N 1 0 367.902 3.219 20 10 FGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000184694096 496495883 /nfs/dbraw/zinc/49/58/83/496495883.db2.gz RTLIXCYGCCBBLW-INIZCTEOSA-N 1 0 351.830 3.228 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000184707967 496501965 /nfs/dbraw/zinc/50/19/65/496501965.db2.gz QSKAHUOBEQKRCW-OAHLLOKOSA-N 1 0 360.841 3.229 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000187680370 496532643 /nfs/dbraw/zinc/53/26/43/496532643.db2.gz IWWPACVEHJMHJU-CYBMUJFWSA-N 1 0 350.409 3.462 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000184948676 496596892 /nfs/dbraw/zinc/59/68/92/496596892.db2.gz HTAPQDZCPQIMCN-UHFFFAOYSA-N 1 0 365.836 3.015 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1O ZINC000185063585 496643566 /nfs/dbraw/zinc/64/35/66/496643566.db2.gz CYCXRZIFHVIILK-CYBMUJFWSA-N 1 0 362.857 3.363 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185122652 496669114 /nfs/dbraw/zinc/66/91/14/496669114.db2.gz ZYCUXAFZOWEQEN-RYUDHWBXSA-N 1 0 368.886 3.366 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000185260462 496719792 /nfs/dbraw/zinc/71/97/92/496719792.db2.gz DRFFXHWSAKMJIT-JXFKEZNVSA-N 1 0 368.477 3.285 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000268854825 496804455 /nfs/dbraw/zinc/80/44/55/496804455.db2.gz UDOVZJIRWVWUGL-HNNXBMFYSA-N 1 0 361.511 3.365 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2nc3cccc(Cl)c3n2C)cc1OC ZINC000274891467 497191396 /nfs/dbraw/zinc/19/13/96/497191396.db2.gz DTEKQDAQUJRYGJ-UHFFFAOYSA-N 1 0 361.829 3.239 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1c(F)cccc1F ZINC000266297363 497298130 /nfs/dbraw/zinc/29/81/30/497298130.db2.gz LNIIDUYOUKZDBT-FZKQIMNGSA-N 1 0 351.349 3.001 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(Br)cc1O ZINC000279007606 497300606 /nfs/dbraw/zinc/30/06/06/497300606.db2.gz SKNNDMZQQGQPQB-VXGBXAGGSA-N 1 0 350.260 3.264 20 10 FGCDRO CN(C)c1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1F ZINC000275611530 497381699 /nfs/dbraw/zinc/38/16/99/497381699.db2.gz IGBMTKADDXUPGC-UHFFFAOYSA-N 1 0 358.461 3.318 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000245625843 497479403 /nfs/dbraw/zinc/47/94/03/497479403.db2.gz QGXVKLKONBFISB-BHDDXSALSA-N 1 0 370.537 3.333 20 10 FGCDRO CNC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000279911537 497586399 /nfs/dbraw/zinc/58/63/99/497586399.db2.gz LWZZGEIVTHXPAI-UHFFFAOYSA-N 1 0 365.399 3.421 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c(C(F)(F)F)c1 ZINC000279945765 497598253 /nfs/dbraw/zinc/59/82/53/497598253.db2.gz OLSUVPQPBHXFAT-HOTGVXAUSA-N 1 0 368.403 3.125 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555503 497661718 /nfs/dbraw/zinc/66/17/18/497661718.db2.gz ZHEMRKSWYNSLGW-ACMHHVSHSA-N 1 0 366.461 3.138 20 10 FGCDRO C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272633038 497685962 /nfs/dbraw/zinc/68/59/62/497685962.db2.gz KQLCTRAXMRCPND-ACMHHVSHSA-N 1 0 366.461 3.138 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)c(O)c1 ZINC000280479387 497766761 /nfs/dbraw/zinc/76/67/61/497766761.db2.gz DLROXFZGGMHJKV-UHFFFAOYSA-N 1 0 369.508 3.326 20 10 FGCDRO CC[N@H+](Cc1cc(=O)c(OC)co1)Cc1cc(Br)ccc1O ZINC000268505278 497767834 /nfs/dbraw/zinc/76/78/34/497767834.db2.gz AXWRUUVVJMPHHU-UHFFFAOYSA-N 1 0 368.227 3.139 20 10 FGCDRO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295872372 497837817 /nfs/dbraw/zinc/83/78/17/497837817.db2.gz HFAAYEFINVCIEE-SFHVURJKSA-N 1 0 354.425 3.413 20 10 FGCDRO COc1ccc([C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N2CCOCC2)cc1 ZINC000296129360 497930132 /nfs/dbraw/zinc/93/01/32/497930132.db2.gz VRKHJCQQYGUJLR-UXHICEINSA-N 1 0 368.477 3.051 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364511906 497994502 /nfs/dbraw/zinc/99/45/02/497994502.db2.gz QYMIFMCZQCNVCR-SFHVURJKSA-N 1 0 350.422 3.010 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC000281150318 498036525 /nfs/dbraw/zinc/03/65/25/498036525.db2.gz FKMBLQLVIQFUEO-UHFFFAOYSA-N 1 0 353.875 3.269 20 10 FGCDRO COC(=O)/C=C/c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000301422349 498103826 /nfs/dbraw/zinc/10/38/26/498103826.db2.gz IYMFTYGCEQCJPS-CAXWLTTCSA-N 1 0 373.453 3.233 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc([C@@H]3CCOC3)no2)C1 ZINC000350564231 498116425 /nfs/dbraw/zinc/11/64/25/498116425.db2.gz GAKCPMAABLJYSU-OAHLLOKOSA-N 1 0 366.465 3.343 20 10 FGCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(O)c2Br)c1O ZINC000289405836 498135350 /nfs/dbraw/zinc/13/53/50/498135350.db2.gz HDSWXZYWGNVIEA-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(Nc3cccc(C)n3)CC2)cc1OC ZINC000360790540 498308164 /nfs/dbraw/zinc/30/81/64/498308164.db2.gz BDEBSBXQTIYEBN-UHFFFAOYSA-N 1 0 357.454 3.189 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](O)c1ccccc1 ZINC000289855367 498325530 /nfs/dbraw/zinc/32/55/30/498325530.db2.gz BKPOMWSIRWREDE-GCKMJXCFSA-N 1 0 358.457 3.435 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1OC ZINC000290354491 498520836 /nfs/dbraw/zinc/52/08/36/498520836.db2.gz GJACDTKNNBAHAC-AWEZNQCLSA-N 1 0 353.422 3.446 20 10 FGCDRO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000293896811 498526638 /nfs/dbraw/zinc/52/66/38/498526638.db2.gz KTEDWQXAUMKOAV-MRXNPFEDSA-N 1 0 359.491 3.316 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000362957906 498589558 /nfs/dbraw/zinc/58/95/58/498589558.db2.gz KWMBCUNEXGOIRR-RBUKOAKNSA-N 1 0 369.509 3.261 20 10 FGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000366200443 498821103 /nfs/dbraw/zinc/82/11/03/498821103.db2.gz JHUMJHVGKPBITC-NRFANRHFSA-N 1 0 367.493 3.077 20 10 FGCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(Cl)cc1)cc2=O ZINC000298694317 498851611 /nfs/dbraw/zinc/85/16/11/498851611.db2.gz DSQPLPDDYIPFSG-LLVKDONJSA-N 1 0 374.828 3.116 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)cc1 ZINC000298881840 498907559 /nfs/dbraw/zinc/90/75/59/498907559.db2.gz PTBLILBOJNDNFE-UHFFFAOYSA-N 1 0 356.514 3.053 20 10 FGCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)C(F)(F)F ZINC000291491018 498962331 /nfs/dbraw/zinc/96/23/31/498962331.db2.gz GPUWEUBARHVEQY-CYBMUJFWSA-N 1 0 366.383 3.436 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c(O)c1 ZINC000363862358 499029933 /nfs/dbraw/zinc/02/99/33/499029933.db2.gz YUCVPFREIZTXOL-GOEBONIOSA-N 1 0 356.470 3.276 20 10 FGCDRO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000366694951 499036357 /nfs/dbraw/zinc/03/63/57/499036357.db2.gz LITWFLTZQIFXRF-JTSKRJEESA-N 1 0 351.494 3.361 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363913191 499051235 /nfs/dbraw/zinc/05/12/35/499051235.db2.gz GYYJNLQLPUBKJL-TZIWHRDSSA-N 1 0 370.541 3.445 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000370374132 499214225 /nfs/dbraw/zinc/21/42/25/499214225.db2.gz MLNSJBCMTXBNQS-HKUYNNGSSA-N 1 0 352.478 3.442 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1[O-] ZINC000367909419 499244201 /nfs/dbraw/zinc/24/42/01/499244201.db2.gz GNIQWLKENYBRIJ-RDTXWAMCSA-N 1 0 351.922 3.255 20 10 FGCDRO Nc1ccc(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000370763624 499252161 /nfs/dbraw/zinc/25/21/61/499252161.db2.gz NAHLAGZJBGFCPN-HSZRJFAPSA-N 1 0 363.505 3.326 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCCN(Cc3nc(C)c(C)o3)CC2)c(O)c1 ZINC000371383674 499318381 /nfs/dbraw/zinc/31/83/81/499318381.db2.gz PAQPTCCFHSGESP-UHFFFAOYSA-N 1 0 373.497 3.494 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1F ZINC000369134951 499369268 /nfs/dbraw/zinc/36/92/68/499369268.db2.gz RECGKBRPDFJRMJ-IBGZPJMESA-N 1 0 360.477 3.341 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C)n2)C1)c1ccc(N(C)C)cc1 ZINC000369518080 499411749 /nfs/dbraw/zinc/41/17/49/499411749.db2.gz ISTLIHKUWVQGQZ-MJGOQNOKSA-N 1 0 357.502 3.149 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccnc(C)n2)C1=O)c1ccc(C)cc1O ZINC000373519337 499474688 /nfs/dbraw/zinc/47/46/88/499474688.db2.gz IWBVVPUEPDLQQP-OALUTQOASA-N 1 0 368.481 3.031 20 10 FGCDRO FC(F)(F)Oc1ccc(N2CC[C@@H](C[NH2+]Cc3csnn3)C2)cc1 ZINC000378454452 499518922 /nfs/dbraw/zinc/51/89/22/499518922.db2.gz PRLZRMDYSTXXQM-NSHDSACASA-N 1 0 358.389 3.053 20 10 FGCDRO F[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)N(c2cccnn2)C1 ZINC000376009665 499575867 /nfs/dbraw/zinc/57/58/67/499575867.db2.gz XTCNAWLPJWPDQZ-ICSRJNTNSA-N 1 0 369.488 3.174 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)c(O)c1C ZINC000376573721 499619599 /nfs/dbraw/zinc/61/95/99/499619599.db2.gz HUWPTLXXDAGSPM-CRAIPNDOSA-N 1 0 354.450 3.300 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3[C@H](C)CC[NH2+][C@H]3C)ccc21 ZINC000582553640 506292009 /nfs/dbraw/zinc/29/20/09/506292009.db2.gz OWYZFPCVRCLWMS-IAMHBRQHSA-N 1 0 357.498 3.021 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[NH+]3CCC(C)CC3)ccc21 ZINC000484666406 502701849 /nfs/dbraw/zinc/70/18/49/502701849.db2.gz FMZOZXGQRYJSPK-UHFFFAOYSA-N 1 0 371.525 3.366 20 10 FGCDRO CCc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000530109237 503839618 /nfs/dbraw/zinc/83/96/18/503839618.db2.gz YQPMHOJMJDMRON-SJORKVTESA-N 1 0 365.539 3.404 20 10 FGCDRO CCC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736473469 598524182 /nfs/dbraw/zinc/52/41/82/598524182.db2.gz PZLJWOIRUUZFGH-UHFFFAOYSA-N 1 0 367.453 3.253 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]Cc1cc(F)ccc1Br)OCO2 ZINC000042880294 695786556 /nfs/dbraw/zinc/78/65/56/695786556.db2.gz AFSOQLGMXBLUSF-UHFFFAOYSA-N 1 0 354.175 3.312 20 10 FGCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092705927 700440191 /nfs/dbraw/zinc/44/01/91/700440191.db2.gz FSHXEWIQRYVKMV-CYBMUJFWSA-N 1 0 369.303 3.139 20 10 FGCDRO COc1cc(Br)cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000093659935 700452831 /nfs/dbraw/zinc/45/28/31/700452831.db2.gz WFMYHAYVRMTMQZ-HNNXBMFYSA-N 1 0 371.319 3.470 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000093643858 700452973 /nfs/dbraw/zinc/45/29/73/700452973.db2.gz HCWBTVIFXKWHAS-SMDDNHRTSA-N 1 0 357.292 3.078 20 10 FGCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093741990 700453932 /nfs/dbraw/zinc/45/39/32/700453932.db2.gz VDVJDEODVGDEOO-CYBMUJFWSA-N 1 0 371.319 3.327 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000125147280 700731110 /nfs/dbraw/zinc/73/11/10/700731110.db2.gz MXCLPVXJFAGWMM-GUYCJALGSA-N 1 0 350.846 3.154 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccc(Br)cc1 ZINC000132645476 700829831 /nfs/dbraw/zinc/82/98/31/700829831.db2.gz KENWFZCUXVWZMK-CQSZACIVSA-N 1 0 362.271 3.030 20 10 FGCDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000133045181 700834232 /nfs/dbraw/zinc/83/42/32/700834232.db2.gz NNWAPCRNVRLPQG-HNNXBMFYSA-N 1 0 362.905 3.492 20 10 FGCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCC(C)CC1 ZINC000152847998 704975751 /nfs/dbraw/zinc/97/57/51/704975751.db2.gz KPQUYDBFIHATMC-AWEZNQCLSA-N 1 0 356.561 3.045 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154668379 705044275 /nfs/dbraw/zinc/04/42/75/705044275.db2.gz WOCSUUREMFZUNO-HNNXBMFYSA-N 1 0 368.572 3.285 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000158574891 705191257 /nfs/dbraw/zinc/19/12/57/705191257.db2.gz SOLLHQOKDLLSQI-ZIAGYGMSSA-N 1 0 351.443 3.353 20 10 FGCDRO COc1cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c(O)cc1C ZINC000160207308 705247308 /nfs/dbraw/zinc/24/73/08/705247308.db2.gz ZIWGOAIRGGBGQX-UHFFFAOYSA-N 1 0 361.873 3.075 20 10 FGCDRO CC(C)[NH+](CCSCC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000160946829 705265117 /nfs/dbraw/zinc/26/51/17/705265117.db2.gz KGJCNMQNOHAHKS-UHFFFAOYSA-N 1 0 351.560 3.221 20 10 FGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177099934 705606165 /nfs/dbraw/zinc/60/61/65/705606165.db2.gz CQISUDNFAOMEDX-AWEZNQCLSA-N 1 0 366.889 3.377 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000180055949 705726371 /nfs/dbraw/zinc/72/63/71/705726371.db2.gz GCURVYMBWOEIBE-AWEZNQCLSA-N 1 0 350.459 3.090 20 10 FGCDRO COc1cc(N2CC[NH+](CCc3cccs3)CC2)cc(OC)c1OC ZINC000183700564 705898061 /nfs/dbraw/zinc/89/80/61/705898061.db2.gz WPRAKABNIFTUPX-UHFFFAOYSA-N 1 0 362.495 3.139 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCSCC3)CCCC2)c1 ZINC000185009096 712681592 /nfs/dbraw/zinc/68/15/92/712681592.db2.gz CFJZDJPERNPUHL-HNNXBMFYSA-N 1 0 350.528 3.413 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000185533724 712696250 /nfs/dbraw/zinc/69/62/50/712696250.db2.gz YQCFBZCFFZCBDC-LRDDRELGSA-N 1 0 350.459 3.355 20 10 FGCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]12 ZINC000248562501 713653444 /nfs/dbraw/zinc/65/34/44/713653444.db2.gz BBJIJOMFTWHUAT-DAXOMENPSA-N 1 0 350.434 3.266 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000382453662 713979986 /nfs/dbraw/zinc/97/99/86/713979986.db2.gz HPKSYCMDXCCURW-ZFWWWQNUSA-N 1 0 350.459 3.184 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756765052 722969820 /nfs/dbraw/zinc/96/98/20/722969820.db2.gz NDAGJCPZXXFPRK-UYHISHBKSA-N 1 0 354.441 3.089 20 10 FGCDRO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769516938 723688592 /nfs/dbraw/zinc/68/85/92/723688592.db2.gz VQGHWTBEJRQHIH-OAHLLOKOSA-N 1 0 371.319 3.087 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3ncc(Cl)s3)CC2)cc1 ZINC000780905888 724513353 /nfs/dbraw/zinc/51/33/53/724513353.db2.gz DDXXEFJMYGMGTC-UHFFFAOYSA-N 1 0 366.918 3.429 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(SC)cn3)cc2F)CC1 ZINC000804440790 724517516 /nfs/dbraw/zinc/51/75/16/724517516.db2.gz PRWCZTBRDWBDLJ-UHFFFAOYSA-N 1 0 361.490 3.092 20 10 FGCDRO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000804734599 724546538 /nfs/dbraw/zinc/54/65/38/724546538.db2.gz SFBGKZDSMJNJKO-HNNXBMFYSA-N 1 0 367.287 3.178 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCOc1cccc(Br)c1 ZINC000725849857 722424779 /nfs/dbraw/zinc/42/47/79/722424779.db2.gz VUYYYTUQRHYWIO-UHFFFAOYSA-N 1 0 352.228 3.332 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1F ZINC000740001059 722534714 /nfs/dbraw/zinc/53/47/14/722534714.db2.gz DJESWOPUESREFC-FQEVSTJZSA-N 1 0 351.510 3.118 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000742393549 722556849 /nfs/dbraw/zinc/55/68/49/722556849.db2.gz YLPOZXUGVGLNDF-BZSNNMDCSA-N 1 0 356.853 3.292 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cccc(Cl)c3)CC2)cc1 ZINC000742700494 722559125 /nfs/dbraw/zinc/55/91/25/722559125.db2.gz PFRYLOWETAIFIX-UHFFFAOYSA-N 1 0 359.901 3.260 20 10 FGCDRO CC[N@H+](CC(=O)N1CCC(C)CC1)Cc1cc(Br)ccc1O ZINC000743871146 722572111 /nfs/dbraw/zinc/57/21/11/722572111.db2.gz SDDLGNAHRFNWEG-UHFFFAOYSA-N 1 0 369.303 3.235 20 10 FGCDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cc1 ZINC000756396523 722963919 /nfs/dbraw/zinc/96/39/19/722963919.db2.gz OIZYEHWWVQJZAD-LLVKDONJSA-N 1 0 363.255 3.365 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc(Br)ccc1O ZINC000756398414 722963945 /nfs/dbraw/zinc/96/39/45/722963945.db2.gz FMYCXGXQIGLQBI-LLVKDONJSA-N 1 0 367.287 3.206 20 10 FGCDRO C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(Br)cc1O ZINC000756758157 722969659 /nfs/dbraw/zinc/96/96/59/722969659.db2.gz FUVNSKIUOFBRFC-SNVBAGLBSA-N 1 0 355.207 3.418 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)cc1O ZINC000756787887 722970103 /nfs/dbraw/zinc/97/01/03/722970103.db2.gz SUDKDEWWYUPSKR-AAEUAGOBSA-N 1 0 356.260 3.491 20 10 FGCDRO CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000759066145 722998997 /nfs/dbraw/zinc/99/89/97/722998997.db2.gz SZIGJFCNJHXOJX-VZUCSPMQSA-N 1 0 359.857 3.352 20 10 FGCDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000790780226 723177044 /nfs/dbraw/zinc/17/70/44/723177044.db2.gz OUUWJKBSSGXGBM-ZDUSSCGKSA-N 1 0 356.561 3.045 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000791005716 723204513 /nfs/dbraw/zinc/20/45/13/723204513.db2.gz XHOJJLBHHYYDCZ-AWEZNQCLSA-N 1 0 351.393 3.010 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000762481051 723247418 /nfs/dbraw/zinc/24/74/18/723247418.db2.gz OFZYOEKGDDMIFI-ZFWWWQNUSA-N 1 0 350.459 3.136 20 10 FGCDRO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)F ZINC000792237446 723323362 /nfs/dbraw/zinc/32/33/62/723323362.db2.gz DVHCACOQYGJICC-CYBMUJFWSA-N 1 0 360.832 3.418 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000792964973 723387664 /nfs/dbraw/zinc/38/76/64/723387664.db2.gz ZKSXWTLKTLJVEQ-QGZVFWFLSA-N 1 0 352.400 3.465 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000792992584 723390839 /nfs/dbraw/zinc/39/08/39/723390839.db2.gz QCZSCCWEUIFGTL-AWEZNQCLSA-N 1 0 360.420 3.304 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000764766614 723443883 /nfs/dbraw/zinc/44/38/83/723443883.db2.gz GRHBKVXORSLMAQ-IBGZPJMESA-N 1 0 361.511 3.365 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1O ZINC000793608495 723454327 /nfs/dbraw/zinc/45/43/27/723454327.db2.gz JQLSPXDQTWHCMW-CQSZACIVSA-N 1 0 358.276 3.290 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCOC1 ZINC000765125453 723482459 /nfs/dbraw/zinc/48/24/59/723482459.db2.gz FHWYRLIELZRODV-MRHSLFKSSA-N 1 0 350.478 3.344 20 10 FGCDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000765610866 723527671 /nfs/dbraw/zinc/52/76/71/723527671.db2.gz XZCSAKYLSBIDIY-CQSZACIVSA-N 1 0 360.479 3.234 20 10 FGCDRO C[C@H]([NH2+]CCNc1ccccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000766143354 723558291 /nfs/dbraw/zinc/55/82/91/723558291.db2.gz YVKBLYGWEIXZJO-HNNXBMFYSA-N 1 0 360.889 3.334 20 10 FGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584774 723582705 /nfs/dbraw/zinc/58/27/05/723582705.db2.gz OJZBIQSAFKETNH-AVYPCKFXSA-N 1 0 363.933 3.310 20 10 FGCDRO C[S@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796373958 723635009 /nfs/dbraw/zinc/63/50/09/723635009.db2.gz FNIITKJRAYOVGR-VWLOTQADSA-N 1 0 354.519 3.250 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000796447750 723638063 /nfs/dbraw/zinc/63/80/63/723638063.db2.gz CPBRTDUHKBVOLH-LBPRGKRZSA-N 1 0 358.829 3.486 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]Cc1cc(F)c(F)cc1Br)OCO2 ZINC000796511442 723640964 /nfs/dbraw/zinc/64/09/64/723640964.db2.gz RWMAWICOOHSCOB-UHFFFAOYSA-N 1 0 372.165 3.451 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000796532188 723642173 /nfs/dbraw/zinc/64/21/73/723642173.db2.gz PPBCIGNRQUTTID-ZJUUUORDSA-N 1 0 368.890 3.212 20 10 FGCDRO CCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000768182307 723649694 /nfs/dbraw/zinc/64/96/94/723649694.db2.gz YTLQIDQEBVKJLM-IBGZPJMESA-N 1 0 359.491 3.458 20 10 FGCDRO C[N@H+](Cc1csc(Br)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439243 723657460 /nfs/dbraw/zinc/65/74/60/723657460.db2.gz DSYXDUBZLDZWGY-ZDUSSCGKSA-N 1 0 370.268 3.274 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000769291356 723681505 /nfs/dbraw/zinc/68/15/05/723681505.db2.gz NYLQQBOAFGPHAN-CHWSQXEVSA-N 1 0 369.303 3.376 20 10 FGCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000769290023 723681556 /nfs/dbraw/zinc/68/15/56/723681556.db2.gz HEXDAISDEASLSQ-OAHLLOKOSA-N 1 0 369.303 3.378 20 10 FGCDRO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043549 723775227 /nfs/dbraw/zinc/77/52/27/723775227.db2.gz CVSZXEZODHMLBT-MRXNPFEDSA-N 1 0 350.478 3.256 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnn1C ZINC000774169659 723865811 /nfs/dbraw/zinc/86/58/11/723865811.db2.gz SXHPJNXOBLMMRV-CYBMUJFWSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000774486619 723899382 /nfs/dbraw/zinc/89/93/82/723899382.db2.gz WNRQDOGCSOBLSH-CABCVRRESA-N 1 0 357.523 3.438 20 10 FGCDRO Cc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ccn1C ZINC000798980940 723981537 /nfs/dbraw/zinc/98/15/37/723981537.db2.gz FELNUCMDCJIARB-MRXNPFEDSA-N 1 0 361.873 3.087 20 10 FGCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775368709 723986081 /nfs/dbraw/zinc/98/60/81/723986081.db2.gz HIGMRCOCFXLWHG-AZUAARDMSA-N 1 0 350.478 3.346 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775413554 723989102 /nfs/dbraw/zinc/98/91/02/723989102.db2.gz GGYJLXYMVBHABQ-GDBMZVCRSA-N 1 0 363.255 3.422 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC)C1)c1cc(Br)ccc1O ZINC000775501419 723996264 /nfs/dbraw/zinc/99/62/64/723996264.db2.gz PXVBRPOTNQQJTF-TZMCWYRMSA-N 1 0 371.275 3.426 20 10 FGCDRO CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000775503446 723996775 /nfs/dbraw/zinc/99/67/75/723996775.db2.gz ISDVGEJCQVAYIS-IUODEOHRSA-N 1 0 358.276 3.249 20 10 FGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000775662490 724018874 /nfs/dbraw/zinc/01/88/74/724018874.db2.gz TXPVKKLQUUQMDP-IIDMSEBBSA-N 1 0 352.906 3.428 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000775686329 724025014 /nfs/dbraw/zinc/02/50/14/724025014.db2.gz HVPBBXJNJBCRCN-HNNXBMFYSA-N 1 0 367.287 3.050 20 10 FGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000775998507 724095626 /nfs/dbraw/zinc/09/56/26/724095626.db2.gz FQBUEOPFCMKFPG-RYUDHWBXSA-N 1 0 356.850 3.011 20 10 FGCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000776953470 724198396 /nfs/dbraw/zinc/19/83/96/724198396.db2.gz NKNVDBSKVUPYHL-MSOLQXFVSA-N 1 0 350.478 3.346 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNc3cccc(Br)n3)cc2)CC1 ZINC000785720520 724931782 /nfs/dbraw/zinc/93/17/82/724931782.db2.gz XEZHSQUWOGTWFO-UHFFFAOYSA-N 1 0 361.287 3.208 20 10 FGCDRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000786949934 725009770 /nfs/dbraw/zinc/00/97/70/725009770.db2.gz LDTUQLRQOKURSF-INIZCTEOSA-N 1 0 350.528 3.152 20 10 FGCDRO CC(C)[C@@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccnn1C ZINC000788075411 725042863 /nfs/dbraw/zinc/04/28/63/725042863.db2.gz IOGQTHYEOIRTRM-CQSZACIVSA-N 1 0 352.276 3.418 20 10 FGCDRO CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806137049 725117471 /nfs/dbraw/zinc/11/74/71/725117471.db2.gz GIGIDPOSZQHFPE-GOSISDBHSA-N 1 0 353.938 3.360 20 10 FGCDRO Cc1cc(C)n2c(C[NH2+]Cc3cc(Br)ccc3O)cnc2n1 ZINC000809712256 725261627 /nfs/dbraw/zinc/26/16/27/725261627.db2.gz HQLHXNQMJVIKGU-UHFFFAOYSA-N 1 0 361.243 3.104 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(C(F)(F)F)c1 ZINC000809757488 725265729 /nfs/dbraw/zinc/26/57/29/725265729.db2.gz OFCDUKJPAWYJNY-AWEZNQCLSA-N 1 0 352.404 3.494 20 10 FGCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810226372 725298307 /nfs/dbraw/zinc/29/83/07/725298307.db2.gz FAMXEWLMFQEONM-OCCSQVGLSA-N 1 0 359.392 3.256 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810241373 725299039 /nfs/dbraw/zinc/29/90/39/725299039.db2.gz SDWZHKNZWGJSIG-MFKMUULPSA-N 1 0 365.417 3.417 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)c(OC)n1 ZINC000810260181 725300345 /nfs/dbraw/zinc/30/03/45/725300345.db2.gz GRNXEDHPPRDGAC-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815651292 727088570 /nfs/dbraw/zinc/08/85/70/727088570.db2.gz PJFATMVXJWAJCO-CQSZACIVSA-N 1 0 360.889 3.168 20 10 FGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)Cc1ccccc1 ZINC000816624830 727181709 /nfs/dbraw/zinc/18/17/09/727181709.db2.gz IVDSKIFFUNDXST-INIZCTEOSA-N 1 0 350.256 3.190 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000816642666 727184449 /nfs/dbraw/zinc/18/44/49/727184449.db2.gz HCWNNNCLPKLGKS-KRWDZBQOSA-N 1 0 353.304 3.381 20 10 FGCDRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817947418 727289181 /nfs/dbraw/zinc/28/91/81/727289181.db2.gz NEQGMYZCVAUYET-JYJNAYRXSA-N 1 0 351.922 3.215 20 10 FGCDRO O=C(CC[NH2+]Cc1ccc(N2CCSCC2)cc1)Nc1ccccc1 ZINC000818964276 727331820 /nfs/dbraw/zinc/33/18/20/727331820.db2.gz PUCACFCNGBAUQM-UHFFFAOYSA-N 1 0 355.507 3.358 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1F ZINC000818985675 727334480 /nfs/dbraw/zinc/33/44/80/727334480.db2.gz YIIDIVWAPNFOTC-QGZVFWFLSA-N 1 0 366.864 3.212 20 10 FGCDRO O=C(CC[NH2+]CCCSc1nccs1)Nc1ccccc1[N+](=O)[O-] ZINC000819063715 727343667 /nfs/dbraw/zinc/34/36/67/727343667.db2.gz PYZFFJKQRBJXCY-UHFFFAOYSA-N 1 0 366.468 3.152 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000819078470 727345394 /nfs/dbraw/zinc/34/53/94/727345394.db2.gz WELMDIBGLDBAMB-FQEVSTJZSA-N 1 0 362.901 3.382 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+]Cc3ccnc(Cl)c3F)cc2)CC1 ZINC000823703234 729299915 /nfs/dbraw/zinc/29/99/15/729299915.db2.gz XYRWQHAFRCQZEG-UHFFFAOYSA-N 1 0 363.864 3.373 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000824023043 729316484 /nfs/dbraw/zinc/31/64/84/729316484.db2.gz GUFRHZQBMWTREG-SFHVURJKSA-N 1 0 364.536 3.051 20 10 FGCDRO Cc1noc(C2CC[NH+](Cc3ccc(Br)cc3O)CC2)n1 ZINC000824592071 729349370 /nfs/dbraw/zinc/34/93/70/729349370.db2.gz DMXLVKBTMPRRSC-UHFFFAOYSA-N 1 0 352.232 3.226 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824715788 729356421 /nfs/dbraw/zinc/35/64/21/729356421.db2.gz NOBOUCRXUJIXSM-RBSFLKMASA-N 1 0 370.287 3.289 20 10 FGCDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000824799966 729359444 /nfs/dbraw/zinc/35/94/44/729359444.db2.gz SEOZFZLMJPNOFC-PXNSSMCTSA-N 1 0 350.478 3.203 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1Cl ZINC000825297545 729377448 /nfs/dbraw/zinc/37/74/48/729377448.db2.gz ILSFFGRXBLSAMR-UHFFFAOYSA-N 1 0 360.767 3.365 20 10 FGCDRO OCC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825298303 729377665 /nfs/dbraw/zinc/37/76/65/729377665.db2.gz YPZQIPMFABJYJS-AWEZNQCLSA-N 1 0 350.256 3.411 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCN2CCCC2(C)C)c1O ZINC000825326755 729378827 /nfs/dbraw/zinc/37/88/27/729378827.db2.gz PKNBJNIFANVHNL-UHFFFAOYSA-N 1 0 357.292 3.127 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)CN2CCCC2)c1O ZINC000825327880 729378893 /nfs/dbraw/zinc/37/88/93/729378893.db2.gz VYRBMGZMJIHYSN-UHFFFAOYSA-N 1 0 357.292 3.127 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1Cl ZINC000825885112 729398331 /nfs/dbraw/zinc/39/83/31/729398331.db2.gz CXCAKSLZGIKRLJ-HNNXBMFYSA-N 1 0 351.878 3.124 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000826902970 729418557 /nfs/dbraw/zinc/41/85/57/729418557.db2.gz NIBOFZUPRDNDOL-APHBMKBZSA-N 1 0 372.303 3.119 20 10 FGCDRO COCC1(C2CCC2)C[NH+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000827012495 729421589 /nfs/dbraw/zinc/42/15/89/729421589.db2.gz YPWJPXYBBPLNAJ-UHFFFAOYSA-N 1 0 370.287 3.412 20 10 FGCDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320412 729428609 /nfs/dbraw/zinc/42/86/09/729428609.db2.gz ILHPZXLPBWGXHA-LJQANCHMSA-N 1 0 361.555 3.154 20 10 FGCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(Br)cc2O)CCCCC1 ZINC000827591284 729432134 /nfs/dbraw/zinc/43/21/34/729432134.db2.gz MZIOMOXEAQWMSU-UHFFFAOYSA-N 1 0 369.303 3.331 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000834896044 729844675 /nfs/dbraw/zinc/84/46/75/729844675.db2.gz HEUSIHHFCGJHPM-VXGBXAGGSA-N 1 0 352.276 3.478 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000834915100 729846103 /nfs/dbraw/zinc/84/61/03/729846103.db2.gz PWBCHZZMOSFFTR-CORIIIEPSA-N 1 0 367.287 3.267 20 10 FGCDRO CN(C)c1ccc(/C=C\CN2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000835055629 729853604 /nfs/dbraw/zinc/85/36/04/729853604.db2.gz LXWBLRFHXRWQKH-RURPWVQCSA-N 1 0 350.528 3.055 20 10 FGCDRO CCC(C)(C)OCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484464 730034274 /nfs/dbraw/zinc/03/42/74/730034274.db2.gz GJBAZYUEPXMVGM-INIZCTEOSA-N 1 0 368.905 3.331 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(C)n1 ZINC000840718940 730165702 /nfs/dbraw/zinc/16/57/02/730165702.db2.gz FWIZIQFDFDMZAK-CYBMUJFWSA-N 1 0 350.413 3.341 20 10 FGCDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C(C)(C)O1 ZINC000840761672 730170675 /nfs/dbraw/zinc/17/06/75/730170675.db2.gz ZSCCQEIAQQLJIE-MRXNPFEDSA-N 1 0 354.441 3.237 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(Cl)c1 ZINC000840873368 730186364 /nfs/dbraw/zinc/18/63/64/730186364.db2.gz UAKUOQXSLSCDAK-UHFFFAOYSA-N 1 0 354.859 3.015 20 10 FGCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840947682 730195302 /nfs/dbraw/zinc/19/53/02/730195302.db2.gz BZEHAKVBFXGPDC-AWEZNQCLSA-N 1 0 351.752 3.281 20 10 FGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000841040792 730205482 /nfs/dbraw/zinc/20/54/82/730205482.db2.gz UDNJFTWFPIITSH-HNNXBMFYSA-N 1 0 354.317 3.366 20 10 FGCDRO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000841099195 730211096 /nfs/dbraw/zinc/21/10/96/730211096.db2.gz HGTGQUYHQSGCRG-RDJZCZTQSA-N 1 0 359.297 3.417 20 10 FGCDRO COc1ccc(F)c(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000841497843 730249253 /nfs/dbraw/zinc/24/92/53/730249253.db2.gz ZBAMHPPSIGQMSR-GDNBJRDFSA-N 1 0 366.483 3.130 20 10 FGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)ccc1OCCO ZINC000841746249 730270222 /nfs/dbraw/zinc/27/02/22/730270222.db2.gz WSSSROXOOFVJMI-LBPRGKRZSA-N 1 0 351.830 3.276 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000841764261 730272002 /nfs/dbraw/zinc/27/20/02/730272002.db2.gz GHGHSXQQPBMTTJ-ZIAGYGMSSA-N 1 0 373.875 3.167 20 10 FGCDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000841855988 730281328 /nfs/dbraw/zinc/28/13/28/730281328.db2.gz DYSUOUREQCPJNA-AWEZNQCLSA-N 1 0 368.572 3.045 20 10 FGCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841896870 730283945 /nfs/dbraw/zinc/28/39/45/730283945.db2.gz OCDORWGAWISVEL-KBPBESRZSA-N 1 0 352.910 3.113 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)cc2Cl)C1 ZINC000841897807 730284228 /nfs/dbraw/zinc/28/42/28/730284228.db2.gz XKBKAGAVMADTFE-GDBMZVCRSA-N 1 0 364.921 3.128 20 10 FGCDRO C[NH2+]C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843051632 730574177 /nfs/dbraw/zinc/57/41/77/730574177.db2.gz APTBVQYAQFNJLS-MRXNPFEDSA-N 1 0 366.347 3.481 20 10 FGCDRO COc1cc(O)c(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1OC ZINC000843115348 730587742 /nfs/dbraw/zinc/58/77/42/730587742.db2.gz CWLYKFGMFCNRHQ-MRXNPFEDSA-N 1 0 362.857 3.209 20 10 FGCDRO C[C@@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)c1ccccc1Cl ZINC000843350876 730609512 /nfs/dbraw/zinc/60/95/12/730609512.db2.gz ZYGMBWHKSPFCHD-CQSZACIVSA-N 1 0 357.885 3.429 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000844282797 730697851 /nfs/dbraw/zinc/69/78/51/730697851.db2.gz YAVCNMGDFNZURY-HNNXBMFYSA-N 1 0 363.845 3.275 20 10 FGCDRO O=C(NCc1ccnc(N2CCCC2)c1)NCc1cc(Cl)ccc1O ZINC000844869217 730783058 /nfs/dbraw/zinc/78/30/58/730783058.db2.gz PRECXDFEMDTQMM-UHFFFAOYSA-N 1 0 360.845 3.040 20 10 FGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000845981740 730915372 /nfs/dbraw/zinc/91/53/72/730915372.db2.gz OKOFLHLUPWCRAZ-HNNXBMFYSA-N 1 0 356.457 3.342 20 10 FGCDRO OC[C@@]1(C[NH2+]Cc2cc(Br)ccc2O)CCc2ccccc21 ZINC000846010811 730918158 /nfs/dbraw/zinc/91/81/58/730918158.db2.gz JBAZGXOHFCOWSI-SFHVURJKSA-N 1 0 362.267 3.121 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000846145347 730932053 /nfs/dbraw/zinc/93/20/53/730932053.db2.gz OAKPSFQMHWIZQW-KBPBESRZSA-N 1 0 350.459 3.451 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1O ZINC000846145196 730932086 /nfs/dbraw/zinc/93/20/86/730932086.db2.gz PAOKCGGFTCKBFY-OAHLLOKOSA-N 1 0 363.479 3.057 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCc2cnn(C)c2)c1O ZINC000848523964 731175241 /nfs/dbraw/zinc/17/52/41/731175241.db2.gz BQRBZSSYDSMJAM-NSHDSACASA-N 1 0 368.275 3.180 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000848532259 731176220 /nfs/dbraw/zinc/17/62/20/731176220.db2.gz BJMPDIOBSUBKDS-WDEREUQCSA-N 1 0 354.248 3.099 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2snnc2C)c1O ZINC000848551781 731180221 /nfs/dbraw/zinc/18/02/21/731180221.db2.gz TXWFQNAKHMTCCW-SSDOTTSWSA-N 1 0 358.261 3.174 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)c1O ZINC000848553294 731180670 /nfs/dbraw/zinc/18/06/70/731180670.db2.gz LQSDMTDCDGYWFH-GVXVVHGQSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000848554178 731180842 /nfs/dbraw/zinc/18/08/42/731180842.db2.gz QSUDFQUFJMGFOJ-WDEREUQCSA-N 1 0 368.275 3.179 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1 ZINC000849348890 731251132 /nfs/dbraw/zinc/25/11/32/731251132.db2.gz KVXVYPNUGVQSAV-UHFFFAOYSA-N 1 0 350.459 3.328 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]Cc3nc4c(s3)CCCC4)cc2)CC1 ZINC000850406941 731353418 /nfs/dbraw/zinc/35/34/18/731353418.db2.gz ZZJODRHLYFCDIM-UHFFFAOYSA-N 1 0 357.523 3.273 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)(C)C(F)F ZINC000850423747 731355508 /nfs/dbraw/zinc/35/55/08/731355508.db2.gz ASGFEXMPKNVHTL-DZGCQCFKSA-N 1 0 353.457 3.158 20 10 FGCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C1CCOCC1 ZINC000850493046 731363619 /nfs/dbraw/zinc/36/36/19/731363619.db2.gz DTZSSEFQLIYPBY-IAQYHMDHSA-N 1 0 358.276 3.247 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)c2c1c(F)ccc2O ZINC000850530789 731369683 /nfs/dbraw/zinc/36/96/83/731369683.db2.gz CNYZTEUBEHCTNA-GXTWGEPZSA-N 1 0 355.475 3.417 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)c1ccccn1 ZINC000851791988 731498456 /nfs/dbraw/zinc/49/84/56/731498456.db2.gz GNUQQKYQKPZLKB-MRXNPFEDSA-N 1 0 351.244 3.105 20 10 FGCDRO CCn1nccc1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000853239532 731686680 /nfs/dbraw/zinc/68/66/80/731686680.db2.gz HLSZKKDHMSOLTD-SNVBAGLBSA-N 1 0 354.248 3.231 20 10 FGCDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000858089989 732179189 /nfs/dbraw/zinc/17/91/89/732179189.db2.gz HFIVQAGYWRDOBL-CHWSQXEVSA-N 1 0 371.319 3.132 20 10 FGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858138753 732184973 /nfs/dbraw/zinc/18/49/73/732184973.db2.gz JTKPLSJYCJDDNQ-WBMJQRKESA-N 1 0 350.256 3.409 20 10 FGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000858505545 732221457 /nfs/dbraw/zinc/22/14/57/732221457.db2.gz MBRACTICESXPDZ-ZWNOBZJWSA-N 1 0 354.244 3.457 20 10 FGCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862375836 732819142 /nfs/dbraw/zinc/81/91/42/732819142.db2.gz SAYXMPXZRCJWRW-GOSISDBHSA-N 1 0 362.267 3.291 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000866548365 733364926 /nfs/dbraw/zinc/36/49/26/733364926.db2.gz JISTZOWCPHABJT-IHRRRGAJSA-N 1 0 350.459 3.355 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000873291662 735747212 /nfs/dbraw/zinc/74/72/12/735747212.db2.gz HDUCNFOMOSWRJH-QWHCGFSZSA-N 1 0 358.404 3.220 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876698634 736133528 /nfs/dbraw/zinc/13/35/28/736133528.db2.gz KXRZPLYSDHFJBQ-OQHXTRMZSA-N 1 0 367.287 3.059 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000876896017 736159600 /nfs/dbraw/zinc/15/96/00/736159600.db2.gz SCOXLTRJDCYXMQ-UHFFFAOYSA-N 1 0 362.495 3.021 20 10 FGCDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCSc3nccs3)nc2c1 ZINC000877061611 736182399 /nfs/dbraw/zinc/18/23/99/736182399.db2.gz NDSOBSSXTCMRIG-UHFFFAOYSA-N 1 0 350.425 3.465 20 10 FGCDRO COc1nsc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1Br ZINC000877533514 736680609 /nfs/dbraw/zinc/68/06/09/736680609.db2.gz PLYPWBZAZSWBGX-QMMMGPOBSA-N 1 0 373.272 3.479 20 10 FGCDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000877814981 736727063 /nfs/dbraw/zinc/72/70/63/736727063.db2.gz ZERHESCIXWURSZ-KRWDZBQOSA-N 1 0 357.523 3.402 20 10 FGCDRO Cc1cc(Cn2cc([C@@H]([NH3+])c3ccc(Cl)cc3)nn2)ccc1N(C)C ZINC000881377276 737332132 /nfs/dbraw/zinc/33/21/32/737332132.db2.gz JNIAVALSWXMMSK-IBGZPJMESA-N 1 0 355.873 3.402 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(Br)cc1O ZINC000883276129 737544633 /nfs/dbraw/zinc/54/46/33/737544633.db2.gz GMKVJEZBUKFICP-AAEUAGOBSA-N 1 0 354.244 3.250 20 10 FGCDRO Cc1csc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 ZINC000884472772 737666562 /nfs/dbraw/zinc/66/65/62/737666562.db2.gz HURJBAMQGHOBDN-DYVFJYSZSA-N 1 0 360.479 3.038 20 10 FGCDRO Cc1csc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)n1 ZINC000884472774 737666883 /nfs/dbraw/zinc/66/68/83/737666883.db2.gz HURJBAMQGHOBDN-SUMWQHHRSA-N 1 0 360.479 3.038 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)[NH+](C)C)cc1 ZINC000891244362 739885802 /nfs/dbraw/zinc/88/58/02/739885802.db2.gz ZUAOLWHZRLXWSN-DQXYTYHJSA-N 1 0 361.555 3.146 20 10 FGCDRO COc1ccc(C[N@H+](C)Cc2ccc(Br)o2)c(O)c1OC ZINC000891603533 739919952 /nfs/dbraw/zinc/91/99/52/739919952.db2.gz XBDRNYKEJOAJRI-UHFFFAOYSA-N 1 0 356.216 3.397 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000894236992 742256856 /nfs/dbraw/zinc/25/68/56/742256856.db2.gz GJORQEFXOAOIPC-UHFFFAOYSA-N 1 0 350.459 3.198 20 10 FGCDRO C[NH+](C)Cc1ccnc(NCc2cc(Br)cc(F)c2O)c1 ZINC000894424113 742281389 /nfs/dbraw/zinc/28/13/89/742281389.db2.gz BEQKRPYSQWHFPL-UHFFFAOYSA-N 1 0 354.223 3.363 20 10 FGCDRO COc1cc(C)cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1O ZINC000894651700 742314504 /nfs/dbraw/zinc/31/45/04/742314504.db2.gz HUMNYFOSKJYILN-UHFFFAOYSA-N 1 0 356.344 3.335 20 10 FGCDRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000895633035 742435005 /nfs/dbraw/zinc/43/50/05/742435005.db2.gz WKWIPKQPUCQPEJ-SJLPKXTDSA-N 1 0 360.523 3.315 20 10 FGCDRO COC(=O)CCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CCCCC1 ZINC000897337537 742670099 /nfs/dbraw/zinc/67/00/99/742670099.db2.gz WTUUOPOWYIZURJ-UHFFFAOYSA-N 1 0 351.443 3.155 20 10 FGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000897576367 742691581 /nfs/dbraw/zinc/69/15/81/742691581.db2.gz DAFHAIJBJIKBMJ-GFCCVEGCSA-N 1 0 366.259 3.301 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(CCO)cc2)c1O ZINC000898170987 742752675 /nfs/dbraw/zinc/75/26/75/742752675.db2.gz PHIUAQYZRISYEE-UHFFFAOYSA-N 1 0 350.256 3.288 20 10 FGCDRO C[C@](CO)([NH2+]Cc1cc(F)ccc1O)c1cccc(Br)c1 ZINC000898168899 742752932 /nfs/dbraw/zinc/75/29/32/742752932.db2.gz TUJXPMHCLMRRPI-MRXNPFEDSA-N 1 0 354.219 3.291 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c(Cl)c1 ZINC000898398535 742789159 /nfs/dbraw/zinc/78/91/59/742789159.db2.gz JSEGENIMLHRUJY-XMMPIXPASA-N 1 0 373.950 3.140 20 10 FGCDRO C[NH+]1CCC2(CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)CC1 ZINC000899163250 742883401 /nfs/dbraw/zinc/88/34/01/742883401.db2.gz OPKIVXLFBIGURM-UHFFFAOYSA-N 1 0 360.479 3.261 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(CCF)c2)c1O ZINC000903274617 743833740 /nfs/dbraw/zinc/83/37/40/743833740.db2.gz PIBRKTVYUDWHMT-JTQLQIEISA-N 1 0 372.238 3.180 20 10 FGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CC=CC2)cc1)C(F)(F)C(F)(F)F ZINC000905133576 743995096 /nfs/dbraw/zinc/99/50/96/743995096.db2.gz PZEZDBPSAMFKKU-AWEZNQCLSA-N 1 0 350.331 3.101 20 10 FGCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CC=CC2)cc1)C(F)(F)C(F)(F)F ZINC000905133578 743995161 /nfs/dbraw/zinc/99/51/61/743995161.db2.gz PZEZDBPSAMFKKU-CQSZACIVSA-N 1 0 350.331 3.101 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000922688972 758981416 /nfs/dbraw/zinc/98/14/16/758981416.db2.gz MDLQLHDZJYCXTB-UHFFFAOYSA-N 1 0 353.871 3.172 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)C1(Br)CC1)c1ccc(N2CCOCC2)cc1 ZINC000924792562 759393118 /nfs/dbraw/zinc/39/31/18/759393118.db2.gz DGVHFIJRESMXBT-ZIAGYGMSSA-N 1 0 353.304 3.490 20 10 FGCDRO C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000925781983 759537663 /nfs/dbraw/zinc/53/76/63/759537663.db2.gz JPWWPHXTOMYPPX-ZIAGYGMSSA-N 1 0 373.875 3.072 20 10 FGCDRO CC[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)ccc1O ZINC000927001788 759873110 /nfs/dbraw/zinc/87/31/10/759873110.db2.gz PEGZRZJTDRIYGZ-AWEZNQCLSA-N 1 0 356.260 3.349 20 10 FGCDRO O=C(CSc1nccs1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285875 493972165 /nfs/dbraw/zinc/97/21/65/493972165.db2.gz DLASTZFDVCVGTK-UHFFFAOYSA-N 1 0 365.549 3.423 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000072801213 494253089 /nfs/dbraw/zinc/25/30/89/494253089.db2.gz AQRLSXRZIHKSAW-UHFFFAOYSA-N 1 0 368.437 3.439 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000092012273 494754130 /nfs/dbraw/zinc/75/41/30/494754130.db2.gz CTUMEXXLTHHVCX-ICSRJNTNSA-N 1 0 356.514 3.212 20 10 FGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000121522789 494790456 /nfs/dbraw/zinc/79/04/56/494790456.db2.gz LDTMEUYQKHBPAX-JKSUJKDBSA-N 1 0 360.477 3.154 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182449107 495568890 /nfs/dbraw/zinc/56/88/90/495568890.db2.gz YFYGDXMYPFXISK-ZIAGYGMSSA-N 1 0 350.459 3.308 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000179506362 495619865 /nfs/dbraw/zinc/61/98/65/495619865.db2.gz IDCJBKWNHNNBTM-CYBMUJFWSA-N 1 0 358.417 3.109 20 10 FGCDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000154527072 495644210 /nfs/dbraw/zinc/64/42/10/495644210.db2.gz IXACIHAYZDJLSU-ICSRJNTNSA-N 1 0 372.421 3.015 20 10 FGCDRO CCCNC(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000179662599 495681141 /nfs/dbraw/zinc/68/11/41/495681141.db2.gz DTQZKJDJTLEBPL-UHFFFAOYSA-N 1 0 369.303 3.201 20 10 FGCDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179941861 495794490 /nfs/dbraw/zinc/79/44/90/495794490.db2.gz QAUCWJGKHVFFCX-UHFFFAOYSA-N 1 0 358.413 3.391 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151341019 495808914 /nfs/dbraw/zinc/80/89/14/495808914.db2.gz CYFAHGWPLMZXDP-UKRRQHHQSA-N 1 0 358.301 3.299 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCO2 ZINC000151548821 495875033 /nfs/dbraw/zinc/87/50/33/495875033.db2.gz UDJYFLINHDDJOE-CQSZACIVSA-N 1 0 372.440 3.366 20 10 FGCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183446393 495986233 /nfs/dbraw/zinc/98/62/33/495986233.db2.gz BPZOYELZNGLIAK-HNNXBMFYSA-N 1 0 362.495 3.272 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000186519684 496028582 /nfs/dbraw/zinc/02/85/82/496028582.db2.gz UMGGQIRQSPQXPM-DNVCBOLYSA-N 1 0 358.457 3.339 20 10 FGCDRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180848278 496169644 /nfs/dbraw/zinc/16/96/44/496169644.db2.gz DLOKMMJPZIAAPW-OJYYBLKUSA-N 1 0 366.461 3.280 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000181037270 496248685 /nfs/dbraw/zinc/24/86/85/496248685.db2.gz HAMAOMWPBOHLDG-LNENJAERSA-N 1 0 358.482 3.226 20 10 FGCDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000187113670 496299380 /nfs/dbraw/zinc/29/93/80/496299380.db2.gz CNMSPAMRPCBKSW-NVXWUHKLSA-N 1 0 354.450 3.223 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC000184243772 496302054 /nfs/dbraw/zinc/30/20/54/496302054.db2.gz PONSJOHAQMBTIP-BPUTZDHNSA-N 1 0 362.470 3.136 20 10 FGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCC2 ZINC000181563060 496447974 /nfs/dbraw/zinc/44/79/74/496447974.db2.gz XJSFBDUAYJQPIF-UXHICEINSA-N 1 0 362.489 3.224 20 10 FGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178727965 496552001 /nfs/dbraw/zinc/55/20/01/496552001.db2.gz IOYFLBRRJFCHQS-HNNXBMFYSA-N 1 0 371.437 3.291 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)c1 ZINC000185197576 496701125 /nfs/dbraw/zinc/70/11/25/496701125.db2.gz TUHOQQPHBJVWRZ-SFHVURJKSA-N 1 0 370.493 3.262 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc2c(cc1O)CCCC2 ZINC000273374932 496787560 /nfs/dbraw/zinc/78/75/60/496787560.db2.gz HBLTUROBTXCNCJ-MRXNPFEDSA-N 1 0 367.493 3.353 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Br)ccc1O ZINC000273378354 496789183 /nfs/dbraw/zinc/78/91/83/496789183.db2.gz HTXNUYCQIILIHQ-NSHDSACASA-N 1 0 350.260 3.467 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268846665 496802162 /nfs/dbraw/zinc/80/21/62/496802162.db2.gz JEOSLZQRGNOYPF-DOXZYTNZSA-N 1 0 360.477 3.414 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c(O)c1C ZINC000273437516 496806077 /nfs/dbraw/zinc/80/60/77/496806077.db2.gz XLIRLQZUJBNMMT-INIZCTEOSA-N 1 0 356.466 3.327 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1C ZINC000273464305 496813720 /nfs/dbraw/zinc/81/37/20/496813720.db2.gz QWIUCTMICSIMAS-VQIMIIECSA-N 1 0 353.466 3.246 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1O ZINC000274435662 497096877 /nfs/dbraw/zinc/09/68/77/497096877.db2.gz RDQBZKBYLVPWKK-UHFFFAOYSA-N 1 0 368.300 3.098 20 10 FGCDRO COc1c([O-])c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278525605 497143325 /nfs/dbraw/zinc/14/33/25/497143325.db2.gz TTZCMYXDJXSVFX-UHFFFAOYSA-N 1 0 373.453 3.439 20 10 FGCDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000237609232 497262085 /nfs/dbraw/zinc/26/20/85/497262085.db2.gz XCSPBNUIERZTSI-UHFFFAOYSA-N 1 0 355.507 3.307 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1c(F)cccc1F ZINC000266297362 497298324 /nfs/dbraw/zinc/29/83/24/497298324.db2.gz LNIIDUYOUKZDBT-ACJLOTCBSA-N 1 0 351.349 3.001 20 10 FGCDRO Cc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c(C)n1-c1ccccn1 ZINC000279014115 497303487 /nfs/dbraw/zinc/30/34/87/497303487.db2.gz IEXWTWCWAOODOW-UHFFFAOYSA-N 1 0 352.482 3.093 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Br)cn1 ZINC000279906838 497583816 /nfs/dbraw/zinc/58/38/16/497583816.db2.gz WJNONDLRQRGWTO-SECBINFHSA-N 1 0 351.200 3.129 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1O ZINC000277136215 497752139 /nfs/dbraw/zinc/75/21/39/497752139.db2.gz ZQFKMVNYEZWEMM-UHFFFAOYSA-N 1 0 374.934 3.036 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000277198195 497773548 /nfs/dbraw/zinc/77/35/48/497773548.db2.gz MKGMWTHTRPKIHZ-GOSISDBHSA-N 1 0 369.396 3.499 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)s1 ZINC000280560709 497789201 /nfs/dbraw/zinc/78/92/01/497789201.db2.gz KWEKVEYVHJTLNF-UHFFFAOYSA-N 1 0 359.900 3.499 20 10 FGCDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000364485652 497982652 /nfs/dbraw/zinc/98/26/52/497982652.db2.gz MBHVKXKLSHZXSH-CYBMUJFWSA-N 1 0 358.873 3.234 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000364624796 498056183 /nfs/dbraw/zinc/05/61/83/498056183.db2.gz QZLYWXNQUXIJIK-CQSZACIVSA-N 1 0 372.440 3.495 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC000296630647 498129407 /nfs/dbraw/zinc/12/94/07/498129407.db2.gz BTSMFPSMDIKNRX-UHFFFAOYSA-N 1 0 360.523 3.358 20 10 FGCDRO CN(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000360963625 498327631 /nfs/dbraw/zinc/32/76/31/498327631.db2.gz YRFAWWHBXJRVLE-DHIUTWEWSA-N 1 0 365.521 3.231 20 10 FGCDRO COc1ccc(N2CCCN(Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000361582038 498408949 /nfs/dbraw/zinc/40/89/49/498408949.db2.gz MQPHCYQHTMMUHU-UHFFFAOYSA-N 1 0 368.403 3.166 20 10 FGCDRO COC1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000297342665 498412927 /nfs/dbraw/zinc/41/29/27/498412927.db2.gz BAFKCNNRRULGFS-OAQYLSRUSA-N 1 0 357.542 3.362 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3noc(C(C)(C)C)n3)cc2F)CC1 ZINC000302148880 498417482 /nfs/dbraw/zinc/41/74/82/498417482.db2.gz SNPDYHIUUOHIRO-UHFFFAOYSA-N 1 0 361.465 3.260 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761917 498428113 /nfs/dbraw/zinc/42/81/13/498428113.db2.gz GDGSNEISWFRAMI-INIZCTEOSA-N 1 0 353.422 3.206 20 10 FGCDRO O=S1(=O)CC[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000293790057 498489570 /nfs/dbraw/zinc/48/95/70/498489570.db2.gz QOGAPJUAZZDDIP-PKOBYXMFSA-N 1 0 359.491 3.090 20 10 FGCDRO Cc1cnn(C)c1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000286727373 498490377 /nfs/dbraw/zinc/49/03/77/498490377.db2.gz XPDSKHQLHJZORT-AWEZNQCLSA-N 1 0 350.413 3.089 20 10 FGCDRO COCCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cn1 ZINC000282495154 498534000 /nfs/dbraw/zinc/53/40/00/498534000.db2.gz HXUDJRUDFNADGY-LBPRGKRZSA-N 1 0 368.275 3.157 20 10 FGCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000569938787 506052485 /nfs/dbraw/zinc/05/24/85/506052485.db2.gz YNMRYCRKJXFIKE-GOSISDBHSA-N 1 0 357.498 3.119 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000294746154 498791741 /nfs/dbraw/zinc/79/17/41/498791741.db2.gz HWNRYRCUQSCWER-UHFFFAOYSA-N 1 0 357.523 3.472 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1[O-] ZINC000287708835 498843224 /nfs/dbraw/zinc/84/32/24/498843224.db2.gz NZZVDXARBSPUKT-SFHVURJKSA-N 1 0 374.916 3.433 20 10 FGCDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366344449 498884230 /nfs/dbraw/zinc/88/42/30/498884230.db2.gz FJYSIYLNMIISCA-MLGOLLRUSA-N 1 0 373.419 3.044 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c(O)c1 ZINC000283884533 499006152 /nfs/dbraw/zinc/00/61/52/499006152.db2.gz CGQKEJHCNHGOAW-SJORKVTESA-N 1 0 355.482 3.480 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)n1-c1ccccn1 ZINC000366636312 499012669 /nfs/dbraw/zinc/01/26/69/499012669.db2.gz ZHAZNSRHKXUXLM-HKUYNNGSSA-N 1 0 352.482 3.093 20 10 FGCDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccccc3O)c(C)c2)CC1 ZINC000299463881 499066933 /nfs/dbraw/zinc/06/69/33/499066933.db2.gz CXNRCWOQFXDCMF-UHFFFAOYSA-N 1 0 368.481 3.164 20 10 FGCDRO CCC[NH+]1CCN(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000372922061 499195152 /nfs/dbraw/zinc/19/51/52/499195152.db2.gz ATCCLRCOMQHQNO-UHFFFAOYSA-N 1 0 351.922 3.038 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000367413779 499196263 /nfs/dbraw/zinc/19/62/63/499196263.db2.gz WECNNSNEPWIREJ-LAUBAEHRSA-N 1 0 371.525 3.107 20 10 FGCDRO COc1ccc(N2CCCN(C(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000370764097 499252636 /nfs/dbraw/zinc/25/26/36/499252636.db2.gz VMNUANDJURMJGM-UTKZUKDTSA-N 1 0 367.493 3.070 20 10 FGCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)OCCc2sccc21 ZINC000368089253 499262995 /nfs/dbraw/zinc/26/29/95/499262995.db2.gz KUPUXYGUOVOTTA-HXUWFJFHSA-N 1 0 358.507 3.162 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1nccn1C ZINC000368468761 499299043 /nfs/dbraw/zinc/29/90/43/499299043.db2.gz BWCULIVPQSVTCW-KBPBESRZSA-N 1 0 368.403 3.496 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1O ZINC000368623239 499314747 /nfs/dbraw/zinc/31/47/47/499314747.db2.gz POQMBILJUNHWMA-OAHLLOKOSA-N 1 0 352.862 3.031 20 10 FGCDRO CCOCCCCNC(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000368917411 499346142 /nfs/dbraw/zinc/34/61/42/499346142.db2.gz DNJMQPUYQTYIRV-UHFFFAOYSA-N 1 0 363.502 3.122 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000369093132 499365032 /nfs/dbraw/zinc/36/50/32/499365032.db2.gz TZKCSZOILCUYDH-UHFFFAOYSA-N 1 0 364.497 3.354 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000378211209 499490560 /nfs/dbraw/zinc/49/05/60/499490560.db2.gz OZUCTCQJCONICU-AYHJJNSGSA-N 1 0 371.525 3.043 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)ccc1O ZINC000376302011 499598979 /nfs/dbraw/zinc/59/89/79/499598979.db2.gz IMHAVCFCUQIZAB-DETPVDSQSA-N 1 0 356.260 3.143 20 10 FGCDRO Cc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)C2)no1 ZINC000376304776 499599069 /nfs/dbraw/zinc/59/90/69/499599069.db2.gz HDYYNVHCQVXPIH-KBXCAEBGSA-N 1 0 370.497 3.278 20 10 FGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000377628563 499712608 /nfs/dbraw/zinc/71/26/08/499712608.db2.gz VYRZDUMJHOYPHM-HNNXBMFYSA-N 1 0 362.861 3.060 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377865549 499743517 /nfs/dbraw/zinc/74/35/17/499743517.db2.gz SORRPHGUKXEINE-KRWDZBQOSA-N 1 0 369.509 3.496 20 10 FGCDRO CC[NH2+]Cc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000415919096 499928442 /nfs/dbraw/zinc/92/84/42/499928442.db2.gz MJWYTYZNDLXXQY-UHFFFAOYSA-N 1 0 354.454 3.293 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC2(C)C)C1 ZINC000452470392 501507136 /nfs/dbraw/zinc/50/71/36/501507136.db2.gz SFABDBIQYUVULZ-HXUWFJFHSA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000458736563 501518641 /nfs/dbraw/zinc/51/86/41/501518641.db2.gz JRVPAQZGSGBFRQ-OAHLLOKOSA-N 1 0 354.498 3.112 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOCC2(C)C)C1 ZINC000477587385 501731381 /nfs/dbraw/zinc/73/13/81/501731381.db2.gz FBZQIUGOZQZEJW-UHFFFAOYSA-N 1 0 369.509 3.045 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000471585357 502074954 /nfs/dbraw/zinc/07/49/54/502074954.db2.gz KNASGVZEDYNODD-CVEARBPZSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000472229122 502277002 /nfs/dbraw/zinc/27/70/02/502277002.db2.gz KATMPDPTIRVJRT-FUHWJXTLSA-N 1 0 354.498 3.112 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)c1 ZINC000527589002 503844774 /nfs/dbraw/zinc/84/47/74/503844774.db2.gz WJXVDUAWNKHZGY-UHFFFAOYSA-N 1 0 358.438 3.005 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000520543120 504525085 /nfs/dbraw/zinc/52/50/85/504525085.db2.gz AFZUUWFXSNQOCN-UHFFFAOYSA-N 1 0 364.449 3.290 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 ZINC000529662004 504754162 /nfs/dbraw/zinc/75/41/62/504754162.db2.gz MPPUHBFWEPKRHI-UHFFFAOYSA-N 1 0 371.481 3.432 20 10 FGCDRO CCn1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cn1 ZINC000562432565 504819422 /nfs/dbraw/zinc/81/94/22/504819422.db2.gz IWAIUKBLPJCWPN-UHFFFAOYSA-N 1 0 365.481 3.263 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCCOC2)C1 ZINC000557433338 505134010 /nfs/dbraw/zinc/13/40/10/505134010.db2.gz JHZIUVWIKZUSPN-QGZVFWFLSA-N 1 0 369.509 3.045 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)ccc21 ZINC000590818102 506978560 /nfs/dbraw/zinc/97/85/60/506978560.db2.gz HUHFXFQDBAWXGG-LJQANCHMSA-N 1 0 371.525 3.461 20 10 FGCDRO COc1ccccc1C[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000091790040 700425733 /nfs/dbraw/zinc/42/57/33/700425733.db2.gz DBDIFANLPHVNEU-UHFFFAOYSA-N 1 0 366.255 3.158 20 10 FGCDRO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1n1ccnc1 ZINC000091959668 700429431 /nfs/dbraw/zinc/42/94/31/700429431.db2.gz UDGPHXLTGYGNNT-WFASDCNBSA-N 1 0 350.260 3.434 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1O ZINC000093867716 700455514 /nfs/dbraw/zinc/45/55/14/700455514.db2.gz NTCJFSVWPJRFET-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000113329337 700570816 /nfs/dbraw/zinc/57/08/16/700570816.db2.gz WQNSUPBWFAJSNA-SFHVURJKSA-N 1 0 364.848 3.348 20 10 FGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000113359227 700571383 /nfs/dbraw/zinc/57/13/83/700571383.db2.gz UTIOLQLXMTZLOF-MRXNPFEDSA-N 1 0 361.873 3.209 20 10 FGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000123044289 700699515 /nfs/dbraw/zinc/69/95/15/700699515.db2.gz WLSSZVHJOIBPHG-IYBDPMFKSA-N 1 0 351.922 3.036 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000129821182 700792392 /nfs/dbraw/zinc/79/23/92/700792392.db2.gz NUNBAGRYPOSYTE-CRAIPNDOSA-N 1 0 350.478 3.254 20 10 FGCDRO O=C(CCc1ccoc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134266571 704818486 /nfs/dbraw/zinc/81/84/86/704818486.db2.gz XPJIAUZCZOQLFP-QGZVFWFLSA-N 1 0 362.857 3.352 20 10 FGCDRO CC(C)[C@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCCC1 ZINC000153275382 704991578 /nfs/dbraw/zinc/99/15/78/704991578.db2.gz LSSSJURPZBFSQG-AWEZNQCLSA-N 1 0 356.561 3.045 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)c1 ZINC000182437807 705841914 /nfs/dbraw/zinc/84/19/14/705841914.db2.gz KFUUOHHHWXXVOH-SNVBAGLBSA-N 1 0 358.423 3.417 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000182909851 705868396 /nfs/dbraw/zinc/86/83/96/705868396.db2.gz HVDUHVQEGTUNAY-UXHICEINSA-N 1 0 364.555 3.368 20 10 FGCDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000189504054 712795810 /nfs/dbraw/zinc/79/58/10/712795810.db2.gz ZDTLABFFEDWDKF-RBUKOAKNSA-N 1 0 363.571 3.365 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000194225131 713514885 /nfs/dbraw/zinc/51/48/85/713514885.db2.gz IOLWJKUUFRVUBF-MRXNPFEDSA-N 1 0 356.388 3.324 20 10 FGCDRO CN1C(=O)C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000779100504 724390253 /nfs/dbraw/zinc/39/02/53/724390253.db2.gz SDBNPMSLMFVRIZ-CRAIPNDOSA-N 1 0 366.795 3.385 20 10 FGCDRO C[C@@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1CCCCCC1 ZINC000804734142 724546184 /nfs/dbraw/zinc/54/61/84/724546184.db2.gz DTAVXARHJMLOPP-LBPRGKRZSA-N 1 0 355.276 3.035 20 10 FGCDRO C[C@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1CCCCCC1 ZINC000804734138 724546224 /nfs/dbraw/zinc/54/62/24/724546224.db2.gz DTAVXARHJMLOPP-GFCCVEGCSA-N 1 0 355.276 3.035 20 10 FGCDRO Cc1n[nH]c(C)c1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726608041 722436407 /nfs/dbraw/zinc/43/64/07/722436407.db2.gz IUZWOPRAMVPKIA-UHFFFAOYSA-N 1 0 350.413 3.387 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000753619099 722907090 /nfs/dbraw/zinc/90/70/90/722907090.db2.gz JHCBEXJJJZVZAV-SUMWQHHRSA-N 1 0 358.404 3.199 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000753619097 722907164 /nfs/dbraw/zinc/90/71/64/722907164.db2.gz JHCBEXJJJZVZAV-DYVFJYSZSA-N 1 0 358.404 3.199 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760477413 723058432 /nfs/dbraw/zinc/05/84/32/723058432.db2.gz HIERJSJJJWVDQM-UHFFFAOYSA-N 1 0 362.587 3.179 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)CSC(C)(C)C)CC2)cc1 ZINC000765401444 723510574 /nfs/dbraw/zinc/51/05/74/723510574.db2.gz KVTZBRGWLAGIRS-KRWDZBQOSA-N 1 0 365.587 3.327 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000765408192 723510882 /nfs/dbraw/zinc/51/08/82/723510882.db2.gz JKPLZXAUEAYQSG-INIZCTEOSA-N 1 0 367.559 3.045 20 10 FGCDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765440272 723513638 /nfs/dbraw/zinc/51/36/38/723513638.db2.gz MNUBZFUWBZJZDT-CABCVRRESA-N 1 0 360.889 3.248 20 10 FGCDRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978708 723549760 /nfs/dbraw/zinc/54/97/60/723549760.db2.gz FXKLQLCSCUQBAI-QGZVFWFLSA-N 1 0 352.544 3.370 20 10 FGCDRO C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[S@@](C)=O ZINC000796318542 723632737 /nfs/dbraw/zinc/63/27/37/723632737.db2.gz DEGVTBNJSQFUKF-SSOJOUAXSA-N 1 0 356.535 3.496 20 10 FGCDRO Cc1ccc(O)c(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000796469181 723638833 /nfs/dbraw/zinc/63/88/33/723638833.db2.gz HEGHSZXTXYUUEI-QGZVFWFLSA-N 1 0 350.256 3.460 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000796528901 723641741 /nfs/dbraw/zinc/64/17/41/723641741.db2.gz JWSLWEURQOCKEI-VHSXEESVSA-N 1 0 368.890 3.212 20 10 FGCDRO CCc1nn(C)cc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000770735479 723720267 /nfs/dbraw/zinc/72/02/67/723720267.db2.gz VKSPYAOZXXFAFR-QGZVFWFLSA-N 1 0 362.905 3.096 20 10 FGCDRO CC(C)CO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771060777 723726984 /nfs/dbraw/zinc/72/69/84/723726984.db2.gz YVCMMNUSCCRTAN-PBHICJAKSA-N 1 0 368.905 3.187 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCOCC1 ZINC000771386142 723733994 /nfs/dbraw/zinc/73/39/94/723733994.db2.gz WSVQCPXJMPCQBD-OAHLLOKOSA-N 1 0 358.404 3.201 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000773809373 723826288 /nfs/dbraw/zinc/82/62/88/723826288.db2.gz CDMCRKJTESPRDI-LJQANCHMSA-N 1 0 361.511 3.031 20 10 FGCDRO COc1c(O)c(C[NH2+][C@@H]2COc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000775035039 723954804 /nfs/dbraw/zinc/95/48/04/723954804.db2.gz XUESXLHOPXDALF-GFCCVEGCSA-N 1 0 350.758 3.186 20 10 FGCDRO C[NH+]1CCC2(CCC[N@H+](Cc3cccc(Br)c3[O-])C2)CC1 ZINC000798957349 723979933 /nfs/dbraw/zinc/97/99/33/723979933.db2.gz UHPYFJIWZNNODF-UHFFFAOYSA-N 1 0 353.304 3.463 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cc(Cl)ccc1O ZINC000775521910 723997790 /nfs/dbraw/zinc/99/77/90/723997790.db2.gz DOFJHLIGENDHRT-KGLIPLIRSA-N 1 0 360.907 3.228 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000776807512 724185092 /nfs/dbraw/zinc/18/50/92/724185092.db2.gz ITDYMMXSTFAEMC-GJZGRUSLSA-N 1 0 350.459 3.138 20 10 FGCDRO C[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2Cl)C1 ZINC000800493764 724203017 /nfs/dbraw/zinc/20/30/17/724203017.db2.gz QECBKUIOYNDDAT-GOEBONIOSA-N 1 0 370.946 3.243 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c(O)c1 ZINC000801735614 724329077 /nfs/dbraw/zinc/32/90/77/724329077.db2.gz VXYXFAYOXPUAMA-QGZVFWFLSA-N 1 0 366.255 3.377 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)c1O ZINC000779002935 724380040 /nfs/dbraw/zinc/38/00/40/724380040.db2.gz KBXDBMHVOQHUAZ-XHDPSFHLSA-N 1 0 363.255 3.340 20 10 FGCDRO CO[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000786949559 725009879 /nfs/dbraw/zinc/00/98/79/725009879.db2.gz JTFSTZCYWMONMP-BLLLJJGKSA-N 1 0 364.383 3.280 20 10 FGCDRO CC(C)[C@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccnn1C ZINC000788075410 725042803 /nfs/dbraw/zinc/04/28/03/725042803.db2.gz IOGQTHYEOIRTRM-AWEZNQCLSA-N 1 0 352.276 3.418 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000788594507 725074376 /nfs/dbraw/zinc/07/43/76/725074376.db2.gz VOFYHDDWAQNLPD-ICSRJNTNSA-N 1 0 364.555 3.368 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000788595515 725074490 /nfs/dbraw/zinc/07/44/90/725074490.db2.gz UPFCHVFGEPRLQH-OAHLLOKOSA-N 1 0 363.479 3.142 20 10 FGCDRO CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127531 725116849 /nfs/dbraw/zinc/11/68/49/725116849.db2.gz GARZPQUKKLYVKC-MRXNPFEDSA-N 1 0 360.329 3.377 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000806179483 725119796 /nfs/dbraw/zinc/11/97/96/725119796.db2.gz RWMREUJKJRTGDC-JSGCOSHPSA-N 1 0 365.271 3.285 20 10 FGCDRO Cc1cc(Br)cc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1O ZINC000809737635 725263981 /nfs/dbraw/zinc/26/39/81/725263981.db2.gz KBSCSLMGBGYVPF-INIZCTEOSA-N 1 0 371.319 3.006 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)C2CCC(CO)CC2)c1O ZINC000809766145 725266245 /nfs/dbraw/zinc/26/62/45/725266245.db2.gz VNTJJQOJWLODSA-UHFFFAOYSA-N 1 0 358.276 3.146 20 10 FGCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815578197 727084490 /nfs/dbraw/zinc/08/44/90/727084490.db2.gz JOBQWPTXLPZEQX-UONOGXRCSA-N 1 0 360.420 3.299 20 10 FGCDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815578198 727084727 /nfs/dbraw/zinc/08/47/27/727084727.db2.gz JOBQWPTXLPZEQX-ZIAGYGMSSA-N 1 0 360.420 3.299 20 10 FGCDRO C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816536434 727172988 /nfs/dbraw/zinc/17/29/88/727172988.db2.gz XNQYUPUPTLDUKR-UHFFFAOYSA-N 1 0 352.837 3.415 20 10 FGCDRO CCCN1C[C@@H](C[NH2+][C@@H](CC)c2cc(Br)ccc2O)CC1=O ZINC000817590202 727268899 /nfs/dbraw/zinc/26/88/99/727268899.db2.gz WHMBSHCTNJGXGY-DOMZBBRYSA-N 1 0 369.303 3.454 20 10 FGCDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)CCOCC1 ZINC000817589582 727268902 /nfs/dbraw/zinc/26/89/02/727268902.db2.gz ZCFKFHIYLRYESM-NEPJUHHUSA-N 1 0 358.276 3.389 20 10 FGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nc(Br)cs1 ZINC000817939591 727289015 /nfs/dbraw/zinc/28/90/15/727289015.db2.gz CSENFROFXZTOBK-GXFFZTMASA-N 1 0 369.332 3.322 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)C2)cc1 ZINC000818341968 727308183 /nfs/dbraw/zinc/30/81/83/727308183.db2.gz JPQYLSCNVYUNJF-AXUOBQJMSA-N 1 0 364.580 3.491 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)c(F)c1 ZINC000818964350 727331785 /nfs/dbraw/zinc/33/17/85/727331785.db2.gz SCLZURDTXOQJEQ-LJQANCHMSA-N 1 0 364.461 3.341 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000822526539 729190867 /nfs/dbraw/zinc/19/08/67/729190867.db2.gz WLKOSEHPKQTQGX-GOSISDBHSA-N 1 0 353.890 3.401 20 10 FGCDRO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1=O ZINC000823893132 729311656 /nfs/dbraw/zinc/31/16/56/729311656.db2.gz SAFSXWHUJIMGLJ-LJQANCHMSA-N 1 0 357.523 3.483 20 10 FGCDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824091644 729319215 /nfs/dbraw/zinc/31/92/15/729319215.db2.gz LPDPNUYKSZPCDM-KRWDZBQOSA-N 1 0 359.539 3.195 20 10 FGCDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000825070341 729369786 /nfs/dbraw/zinc/36/97/86/729369786.db2.gz BSKGHRPWKWEQLZ-CHWSQXEVSA-N 1 0 371.319 3.132 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825138818 729372638 /nfs/dbraw/zinc/37/26/38/729372638.db2.gz XZQQTHSVVMHGKB-LBPRGKRZSA-N 1 0 368.886 3.113 20 10 FGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000825190099 729374131 /nfs/dbraw/zinc/37/41/31/729374131.db2.gz FCCPMYTVSOXKQZ-MAUKXSAKSA-N 1 0 352.425 3.414 20 10 FGCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000825202945 729374434 /nfs/dbraw/zinc/37/44/34/729374434.db2.gz DEYNCJOBMXVGDI-UHFFFAOYSA-N 1 0 351.244 3.465 20 10 FGCDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825277739 729376855 /nfs/dbraw/zinc/37/68/55/729376855.db2.gz FKOCBMOSKOXEAY-LRDDRELGSA-N 1 0 350.256 3.409 20 10 FGCDRO CN(C(=O)C[NH2+]Cc1ccc(Br)cc1O)C1CCCCC1 ZINC000825325120 729378872 /nfs/dbraw/zinc/37/88/72/729378872.db2.gz ALNMWTAZUVGFDV-UHFFFAOYSA-N 1 0 355.276 3.035 20 10 FGCDRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825451565 729383840 /nfs/dbraw/zinc/38/38/40/729383840.db2.gz XEWWZEBQHGOJHB-VFNWGFHPSA-N 1 0 368.296 3.364 20 10 FGCDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825548010 729387335 /nfs/dbraw/zinc/38/73/35/729387335.db2.gz AMHPXJAPLYZPQM-DGCLKSJQSA-N 1 0 371.275 3.111 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccc(F)cc1 ZINC000826122050 729405533 /nfs/dbraw/zinc/40/55/33/729405533.db2.gz XJEUMMATOQKYBZ-CYBMUJFWSA-N 1 0 354.219 3.160 20 10 FGCDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000826902973 729418575 /nfs/dbraw/zinc/41/85/75/729418575.db2.gz NIBOFZUPRDNDOL-WQVCFCJDSA-N 1 0 372.303 3.119 20 10 FGCDRO CC1CC[NH+](C2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)CC1 ZINC000827250623 729427562 /nfs/dbraw/zinc/42/75/62/729427562.db2.gz UCSAVJJKDXMHNT-UHFFFAOYSA-N 1 0 350.434 3.010 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000830804471 729594488 /nfs/dbraw/zinc/59/44/88/729594488.db2.gz UVFOSRCRGLHMGU-PBHICJAKSA-N 1 0 369.303 3.411 20 10 FGCDRO C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266256 729700788 /nfs/dbraw/zinc/70/07/88/729700788.db2.gz DLZMNCWWRFLFBL-AUUYWEPGSA-N 1 0 359.901 3.401 20 10 FGCDRO Cc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000832293229 729703189 /nfs/dbraw/zinc/70/31/89/729703189.db2.gz RUVNJWZBEHOSFB-LJQANCHMSA-N 1 0 359.901 3.463 20 10 FGCDRO O=S(=O)(CCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000834814868 729836121 /nfs/dbraw/zinc/83/61/21/729836121.db2.gz PXXLTNCKNOUVKY-INIZCTEOSA-N 1 0 365.882 3.487 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835043798 729852845 /nfs/dbraw/zinc/85/28/45/729852845.db2.gz ZILBLPAHQIRRRQ-AATRIKPKSA-N 1 0 358.507 3.349 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000837307084 730016136 /nfs/dbraw/zinc/01/61/36/730016136.db2.gz YEBQUWTZVPXOOH-JKSUJKDBSA-N 1 0 357.885 3.429 20 10 FGCDRO Cc1ccc([C@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)N2CCOCC2)o1 ZINC000840871876 730186195 /nfs/dbraw/zinc/18/61/95/730186195.db2.gz GUPRLFGAMOFORD-KRWDZBQOSA-N 1 0 364.873 3.419 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000840977630 730200352 /nfs/dbraw/zinc/20/03/52/730200352.db2.gz WOYOZEKAWVKICC-CQSZACIVSA-N 1 0 361.511 3.284 20 10 FGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000841043276 730205868 /nfs/dbraw/zinc/20/58/68/730205868.db2.gz QKMGZVFVZCEZIC-SFHVURJKSA-N 1 0 355.511 3.004 20 10 FGCDRO C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841079957 730208570 /nfs/dbraw/zinc/20/85/70/730208570.db2.gz LWJCGGPUPFUWOL-QMMMGPOBSA-N 1 0 366.097 3.134 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1O ZINC000841745048 730269970 /nfs/dbraw/zinc/26/99/70/730269970.db2.gz MXQNDCXINGIDAZ-LBPRGKRZSA-N 1 0 368.886 3.147 20 10 FGCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC1(C)C ZINC000841763655 730271686 /nfs/dbraw/zinc/27/16/86/730271686.db2.gz OFJYMPYXPQQXIR-RTBURBONSA-N 1 0 364.555 3.226 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841764865 730272049 /nfs/dbraw/zinc/27/20/49/730272049.db2.gz SHAXEEQNABCJCZ-TZMCWYRMSA-N 1 0 359.857 3.074 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H]([NH3+])C3CC3)cc2Cl)C1 ZINC000841896886 730284023 /nfs/dbraw/zinc/28/40/23/730284023.db2.gz OKTOMFFDUCJGRV-GUYCJALGSA-N 1 0 364.921 3.113 20 10 FGCDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841897302 730284217 /nfs/dbraw/zinc/28/42/17/730284217.db2.gz WSXYFIQWWPMSSK-KEYYUXOJSA-N 1 0 364.921 3.207 20 10 FGCDRO CNC(=O)[C@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1ccc(F)cc1C ZINC000842723319 730535686 /nfs/dbraw/zinc/53/56/86/730535686.db2.gz XACJZJQOEROXHF-HNNXBMFYSA-N 1 0 364.848 3.188 20 10 FGCDRO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349896 730609596 /nfs/dbraw/zinc/60/95/96/730609596.db2.gz LWBXUENGUFUZCJ-AWEZNQCLSA-N 1 0 357.885 3.256 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1cccs1 ZINC000844282089 730698097 /nfs/dbraw/zinc/69/80/97/730698097.db2.gz SIJLLHOHCZAETQ-ZDUSSCGKSA-N 1 0 353.875 3.209 20 10 FGCDRO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)ccc2cc(Br)ccc21 ZINC000844742325 730761126 /nfs/dbraw/zinc/76/11/26/730761126.db2.gz UDRBXQZRAWWOSZ-BYVOGVQKSA-N 1 0 366.280 3.013 20 10 FGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846157037 730932642 /nfs/dbraw/zinc/93/26/42/730932642.db2.gz ILFKDOUELJMVGZ-LSDHHAIUSA-N 1 0 363.479 3.304 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846162076 730932967 /nfs/dbraw/zinc/93/29/67/730932967.db2.gz AGTOSYGMVIFAHA-KBPBESRZSA-N 1 0 350.459 3.308 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c1O ZINC000846162415 730933001 /nfs/dbraw/zinc/93/30/01/730933001.db2.gz HAUJZOYUWUEHBW-CYBMUJFWSA-N 1 0 350.459 3.499 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846210679 730936714 /nfs/dbraw/zinc/93/67/14/730936714.db2.gz BHZBYDYVOFZZTB-WBMJQRKESA-N 1 0 358.276 3.045 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOCC(F)(F)F)c1O ZINC000848527264 731175565 /nfs/dbraw/zinc/17/55/65/731175565.db2.gz XCRIVQIEUDCDCF-QMMMGPOBSA-N 1 0 372.181 3.393 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)c1O ZINC000848535048 731177064 /nfs/dbraw/zinc/17/70/64/731177064.db2.gz CLHYFNGJGFEOMP-ONGXEEELSA-N 1 0 368.275 3.477 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1O ZINC000848557980 731181481 /nfs/dbraw/zinc/18/14/81/731181481.db2.gz MGRAFYFWGFKBMS-IGQOVBAYSA-N 1 0 371.319 3.303 20 10 FGCDRO CCc1cccc(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)c1O ZINC000848906378 731219048 /nfs/dbraw/zinc/21/90/48/731219048.db2.gz UOFTUSAQNRMKPA-UHFFFAOYSA-N 1 0 351.372 3.089 20 10 FGCDRO COc1cccc(OC)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000850355636 731347328 /nfs/dbraw/zinc/34/73/28/731347328.db2.gz KIBQTNFLBXOORE-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(Br)cc1O ZINC000850491720 731363209 /nfs/dbraw/zinc/36/32/09/731363209.db2.gz BAPOISXTTDWSIK-FFVOIRBGSA-N 1 0 374.222 3.116 20 10 FGCDRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(Br)ccc1O ZINC000850498151 731364809 /nfs/dbraw/zinc/36/48/09/731364809.db2.gz XWRZYWSFYCNXGK-ZPWHCFADSA-N 1 0 374.222 3.116 20 10 FGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000850519622 731368578 /nfs/dbraw/zinc/36/85/78/731368578.db2.gz OAXMEFPTORYJGA-LLVKDONJSA-N 1 0 359.797 3.063 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000850545547 731371638 /nfs/dbraw/zinc/37/16/38/731371638.db2.gz HBDLIVIYNPYCEN-ZYHUDNBSSA-N 1 0 358.276 3.223 20 10 FGCDRO O=C(NCCCSc1nccs1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853859756 731763750 /nfs/dbraw/zinc/76/37/50/731763750.db2.gz XNVBVDWJIXNGDQ-OAHLLOKOSA-N 1 0 368.572 3.047 20 10 FGCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858146037 732185733 /nfs/dbraw/zinc/18/57/33/732185733.db2.gz NOPVUYREXPCABB-JTQLQIEISA-N 1 0 352.276 3.226 20 10 FGCDRO OC[C@@]1([NH2+]Cc2ccccc2O)CCc2cc(Br)ccc2C1 ZINC000858241079 732195959 /nfs/dbraw/zinc/19/59/59/732195959.db2.gz WTISWDUNTYZMBF-GOSISDBHSA-N 1 0 362.267 3.164 20 10 FGCDRO CC[C@@H]1[C@@H]([NH2+]Cc2c(O)cccc2OC)CCN1C(=O)OC(C)(C)C ZINC000858253069 732197298 /nfs/dbraw/zinc/19/72/98/732197298.db2.gz DHFLVUWUDXJGPV-LSDHHAIUSA-N 1 0 350.459 3.278 20 10 FGCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(O)c1 ZINC000858326477 732203411 /nfs/dbraw/zinc/20/34/11/732203411.db2.gz QQZCIYJDMFGRNL-XJKSGUPXSA-N 1 0 350.459 3.278 20 10 FGCDRO Cc1cc(O)c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1Cl ZINC000862471658 732839219 /nfs/dbraw/zinc/83/92/19/732839219.db2.gz JRMHZYFRWHBZPH-UHFFFAOYSA-N 1 0 361.873 3.258 20 10 FGCDRO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646852 732989879 /nfs/dbraw/zinc/98/98/79/732989879.db2.gz QDGQZFOCDVCYMI-JQWIXIFHSA-N 1 0 367.209 3.114 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)cc1F ZINC000865681889 733251436 /nfs/dbraw/zinc/25/14/36/733251436.db2.gz BGNUQRJSGMZRGH-OAHLLOKOSA-N 1 0 359.371 3.157 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000865783873 733269439 /nfs/dbraw/zinc/26/94/39/733269439.db2.gz TVWDZCJEBCVXLA-AWEZNQCLSA-N 1 0 363.479 3.088 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000866463054 733352817 /nfs/dbraw/zinc/35/28/17/733352817.db2.gz HQRPHEZALHDWFC-QRPMWFLTSA-N 1 0 372.181 3.126 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2F)C[C@H](C)O1 ZINC000872024480 735578118 /nfs/dbraw/zinc/57/81/18/735578118.db2.gz AYCCACQWTQLZSV-HLLBOEOZSA-N 1 0 350.478 3.487 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000872111852 735589819 /nfs/dbraw/zinc/58/98/19/735589819.db2.gz GSVZTFWZEYQHBP-NWDGAFQWSA-N 1 0 356.260 3.457 20 10 FGCDRO CCc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794424 735677644 /nfs/dbraw/zinc/67/76/44/735677644.db2.gz IXARGXYXAIRMPF-NVXWUHKLSA-N 1 0 365.539 3.119 20 10 FGCDRO Cc1cc(CC[NH2+][C@H]2CCCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000873009032 735709005 /nfs/dbraw/zinc/70/90/05/735709005.db2.gz FXCPGZFZIHSIRQ-IBGZPJMESA-N 1 0 360.523 3.194 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822735 736731401 /nfs/dbraw/zinc/73/14/01/736731401.db2.gz HTOJZRMEPANIOQ-YOEHRIQHSA-N 1 0 358.404 3.065 20 10 FGCDRO Cc1n[nH]c(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C ZINC000886002332 739208277 /nfs/dbraw/zinc/20/82/77/739208277.db2.gz WOVAOJKXSMCNTD-AWEZNQCLSA-N 1 0 350.413 3.387 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)CC(F)(F)F)[NH+](C)C)cc1 ZINC000891245239 739885823 /nfs/dbraw/zinc/88/58/23/739885823.db2.gz AXGAGXMGAAMRIU-HNNXBMFYSA-N 1 0 359.436 3.450 20 10 FGCDRO Cc1cc(CC[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000892472280 740004237 /nfs/dbraw/zinc/00/42/37/740004237.db2.gz VQKTWYVNOURHSF-LPHOPBHVSA-N 1 0 360.523 3.049 20 10 FGCDRO COc1ccc(C[NH2+]CCOCc2ccc(Cl)cc2)c(O)c1OC ZINC000893243481 742129189 /nfs/dbraw/zinc/12/91/89/742129189.db2.gz DYODLPDUPYURBV-UHFFFAOYSA-N 1 0 351.830 3.369 20 10 FGCDRO COc1c([O-])c(C[N@H+](C)CCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000895683819 742439242 /nfs/dbraw/zinc/43/92/42/742439242.db2.gz TXNSFLOYDAIURV-UHFFFAOYSA-N 1 0 351.447 3.007 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2cc(N(C)C)ccn2)c1O ZINC000896297386 742528843 /nfs/dbraw/zinc/52/88/43/742528843.db2.gz AUDROPASAZWGFU-UHFFFAOYSA-N 1 0 350.260 3.214 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1O ZINC000898065454 742740546 /nfs/dbraw/zinc/74/05/46/742740546.db2.gz KFSOJNMFFONRRY-BLLLJJGKSA-N 1 0 368.271 3.212 20 10 FGCDRO CCn1cnc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000902165879 743717080 /nfs/dbraw/zinc/71/70/80/743717080.db2.gz GTIYAIHCJBXXGP-UHFFFAOYSA-N 1 0 350.413 3.263 20 10 FGCDRO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)s1 ZINC000902439666 743743530 /nfs/dbraw/zinc/74/35/30/743743530.db2.gz UDGRBVIWTCDIRR-AWEZNQCLSA-N 1 0 358.463 3.114 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000903234939 743827248 /nfs/dbraw/zinc/82/72/48/743827248.db2.gz SRGMMKSGTAPWIU-OAHLLOKOSA-N 1 0 362.495 3.158 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000903235414 743827558 /nfs/dbraw/zinc/82/75/58/743827558.db2.gz UFGUQIFAYWDYNM-GFCCVEGCSA-N 1 0 368.886 3.195 20 10 FGCDRO OCCOC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC(C(F)F)CC1 ZINC000903264799 743831991 /nfs/dbraw/zinc/83/19/91/743831991.db2.gz UHQDGIJZMJJFBQ-HVEKOLDVSA-N 1 0 355.425 3.172 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1cc(F)ccc1O ZINC000903426571 743849648 /nfs/dbraw/zinc/84/96/48/743849648.db2.gz ZSPWFCBWGIDPPG-LBPRGKRZSA-N 1 0 364.442 3.286 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Cl)cc1O ZINC000903435482 743850983 /nfs/dbraw/zinc/85/09/83/743850983.db2.gz QYGAXTYZRPVHGG-ONGXEEELSA-N 1 0 369.252 3.124 20 10 FGCDRO C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903443095 743852035 /nfs/dbraw/zinc/85/20/35/743852035.db2.gz BIODPWYOGUKEDZ-HNNXBMFYSA-N 1 0 368.518 3.225 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000903479232 743855127 /nfs/dbraw/zinc/85/51/27/743855127.db2.gz KKADTTGAVMUOAK-NEPJUHHUSA-N 1 0 350.260 3.325 20 10 FGCDRO CCCOc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1C ZINC000922418541 758919969 /nfs/dbraw/zinc/91/99/69/758919969.db2.gz XWTSEEIZZUGZKD-UHFFFAOYSA-N 1 0 353.528 3.477 20 10 FGCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000923007934 759048859 /nfs/dbraw/zinc/04/88/59/759048859.db2.gz WVIKGWHSJCQMHR-UJKQEGAGSA-N 1 0 362.267 3.337 20 10 FGCDRO Cc1nonc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160257 759456534 /nfs/dbraw/zinc/45/65/34/759456534.db2.gz KXIFCLDIXXJUEV-AAEUAGOBSA-N 1 0 352.385 3.299 20 10 FGCDRO C[C@H](c1ccc(Br)cc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925751237 759531970 /nfs/dbraw/zinc/53/19/70/759531970.db2.gz LMBXLRXFZXUFDP-SECBINFHSA-N 1 0 368.300 3.189 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000925851872 759558536 /nfs/dbraw/zinc/55/85/36/759558536.db2.gz SUJCQINBGCNKBL-QWRGUYRKSA-N 1 0 373.280 3.035 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O ZINC000926935550 759851949 /nfs/dbraw/zinc/85/19/49/759851949.db2.gz JTIARJQXVRGRRI-CZXHOFHRSA-N 1 0 368.271 3.405 20 10 FGCDRO COC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779014167 724381099 /nfs/dbraw/zinc/38/10/99/724381099.db2.gz WFJMDHDGSMHWMJ-LLVKDONJSA-N 1 0 371.275 3.345 20 10 FGCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000081361090 493877967 /nfs/dbraw/zinc/87/79/67/493877967.db2.gz PYGKYLAYANVAGB-GOSISDBHSA-N 1 0 354.498 3.293 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000072801463 494253458 /nfs/dbraw/zinc/25/34/58/494253458.db2.gz ZFBUNYMWOOUYOZ-UHFFFAOYSA-N 1 0 368.437 3.439 20 10 FGCDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000066179665 494284920 /nfs/dbraw/zinc/28/49/20/494284920.db2.gz AZNAMWGHMHRQDU-UHFFFAOYSA-N 1 0 358.530 3.303 20 10 FGCDRO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000111235996 495052627 /nfs/dbraw/zinc/05/26/27/495052627.db2.gz RYDAZEVJLVWRJW-HNNXBMFYSA-N 1 0 372.465 3.027 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124105473 495234503 /nfs/dbraw/zinc/23/45/03/495234503.db2.gz TYVCRDAIBGDCQZ-GOSISDBHSA-N 1 0 353.514 3.450 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000120547350 495402614 /nfs/dbraw/zinc/40/26/14/495402614.db2.gz UUADOMZFMSWTOP-GHTZIAJQSA-N 1 0 372.557 3.405 20 10 FGCDRO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000185347897 495541006 /nfs/dbraw/zinc/54/10/06/495541006.db2.gz PNLHLNIAMODGCF-AWEZNQCLSA-N 1 0 353.422 3.446 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2ccccc2c1O ZINC000186082159 495848733 /nfs/dbraw/zinc/84/87/33/495848733.db2.gz FYYKQPHWEAKAFA-KBXCAEBGSA-N 1 0 364.449 3.125 20 10 FGCDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(Br)cc1O ZINC000186092086 495852480 /nfs/dbraw/zinc/85/24/80/495852480.db2.gz NTNXCTXGWDQLHW-LLVKDONJSA-N 1 0 355.276 3.112 20 10 FGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186164388 495880358 /nfs/dbraw/zinc/88/03/58/495880358.db2.gz LFQBREOWPUBDLR-CABCVRRESA-N 1 0 363.479 3.304 20 10 FGCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000160333751 495938860 /nfs/dbraw/zinc/93/88/60/495938860.db2.gz JVPNXNGBVBXPDF-WMLDXEAASA-N 1 0 357.477 3.382 20 10 FGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000183714588 496090465 /nfs/dbraw/zinc/09/04/65/496090465.db2.gz CONQVJLLHIQUFI-MRXNPFEDSA-N 1 0 362.514 3.105 20 10 FGCDRO COc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)s1 ZINC000177894693 496242220 /nfs/dbraw/zinc/24/22/20/496242220.db2.gz RLGCMZOIAVYIIX-XFXZXTDPSA-N 1 0 354.522 3.052 20 10 FGCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1O ZINC000153285706 496409653 /nfs/dbraw/zinc/40/96/53/496409653.db2.gz HSTHNIMEADXTJH-UHFFFAOYSA-N 1 0 354.450 3.104 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904022 496579120 /nfs/dbraw/zinc/57/91/20/496579120.db2.gz HTNAPOWDIDQJLR-JXFKEZNVSA-N 1 0 356.466 3.125 20 10 FGCDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc2c(cc1O)CCCC2 ZINC000184955826 496599486 /nfs/dbraw/zinc/59/94/86/496599486.db2.gz KRCWDSSPEJSSQN-OAHLLOKOSA-N 1 0 354.498 3.482 20 10 FGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165028284 496645036 /nfs/dbraw/zinc/64/50/36/496645036.db2.gz NXODSEQNTRGOPQ-MRXNPFEDSA-N 1 0 371.456 3.342 20 10 FGCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)cc(OC)c2O)n1 ZINC000191512346 496792721 /nfs/dbraw/zinc/79/27/21/496792721.db2.gz CYVOTJYOCGLLCG-UHFFFAOYSA-N 1 0 370.858 3.020 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NCCC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000264077324 496806279 /nfs/dbraw/zinc/80/62/79/496806279.db2.gz CKUHXKZFGBELFE-UHFFFAOYSA-N 1 0 358.530 3.159 20 10 FGCDRO CSc1nnc(CCC[NH2+]Cc2ccc(N(C)C)cc2)n1CC(C)C ZINC000237375691 497227305 /nfs/dbraw/zinc/22/73/05/497227305.db2.gz CGYWRGITURPMRK-UHFFFAOYSA-N 1 0 361.559 3.444 20 10 FGCDRO COc1c([O-])c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278838088 497237517 /nfs/dbraw/zinc/23/75/17/497237517.db2.gz JOIUNXOVUATQGV-UHFFFAOYSA-N 1 0 363.458 3.053 20 10 FGCDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(Cl)cc1 ZINC000278841868 497239682 /nfs/dbraw/zinc/23/96/82/497239682.db2.gz ZRRAXUDPGJYFAH-CQSZACIVSA-N 1 0 366.801 3.440 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)cc1 ZINC000266781467 497418515 /nfs/dbraw/zinc/41/85/15/497418515.db2.gz KJUOELAFHIATEU-PRJVBOEPSA-N 1 0 370.541 3.442 20 10 FGCDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC ZINC000271717690 497427859 /nfs/dbraw/zinc/42/78/59/497427859.db2.gz CLSUGRPLUKGAGO-KRWDZBQOSA-N 1 0 373.449 3.296 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)c1c(F)cccc1F ZINC000271876002 497477058 /nfs/dbraw/zinc/47/70/58/497477058.db2.gz ZEUDYFKATNMYIQ-AUUYWEPGSA-N 1 0 367.392 3.289 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000246295618 497687052 /nfs/dbraw/zinc/68/70/52/497687052.db2.gz CSFCJKPCSUJCKJ-QRFRQXIXSA-N 1 0 362.539 3.229 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272949505 497769201 /nfs/dbraw/zinc/76/92/01/497769201.db2.gz MPDNCHUWWXDVKX-QGZVFWFLSA-N 1 0 358.530 3.323 20 10 FGCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1O ZINC000364903756 498201518 /nfs/dbraw/zinc/20/15/18/498201518.db2.gz GCVIAKJGKBIRAR-OAHLLOKOSA-N 1 0 351.410 3.268 20 10 FGCDRO Cc1noc([C@@H](NCc2c([O-])ccc(Cl)c2F)C2CCOCC2)n1 ZINC000365137887 498317778 /nfs/dbraw/zinc/31/77/78/498317778.db2.gz NZTQNFGLVDTZPC-HNNXBMFYSA-N 1 0 355.797 3.134 20 10 FGCDRO Cc1noc([C@@H]2CCCN2Cc2cc(Br)cc(C)c2O)n1 ZINC000289915090 498351686 /nfs/dbraw/zinc/35/16/86/498351686.db2.gz VHSUQNXYEMKJMD-ZDUSSCGKSA-N 1 0 352.232 3.492 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)C(C)(C)C)CC2)c1O ZINC000361358644 498378395 /nfs/dbraw/zinc/37/83/95/498378395.db2.gz MSYCLENXNQBGJC-UHFFFAOYSA-N 1 0 366.889 3.329 20 10 FGCDRO Cc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c(C)n1-c1ccccn1 ZINC000365430778 498463187 /nfs/dbraw/zinc/46/31/87/498463187.db2.gz PSOKAXSVIOGLHH-UHFFFAOYSA-N 1 0 352.482 3.236 20 10 FGCDRO CCN(Cc1cc(COC)on1)Cc1cc(Br)ccc1O ZINC000297566351 498496189 /nfs/dbraw/zinc/49/61/89/498496189.db2.gz COWPFGQGOQCGOA-UHFFFAOYSA-N 1 0 355.232 3.311 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1OC ZINC000294087547 498584779 /nfs/dbraw/zinc/58/47/79/498584779.db2.gz ZHTZIOQPVWUIHQ-UHFFFAOYSA-N 1 0 356.344 3.156 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000362948716 498586903 /nfs/dbraw/zinc/58/69/03/498586903.db2.gz UVOBZUXIPUQENX-LJQANCHMSA-N 1 0 369.509 3.215 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000294122587 498596523 /nfs/dbraw/zinc/59/65/23/498596523.db2.gz PDEOLDODXSQLQH-SMDDNHRTSA-N 1 0 355.276 3.021 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000294952348 498860767 /nfs/dbraw/zinc/86/07/67/498860767.db2.gz FKKIJODEYDHHJS-UHFFFAOYSA-N 1 0 371.428 3.153 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000363862386 499029292 /nfs/dbraw/zinc/02/92/92/499029292.db2.gz ITIAZRLUGWPIIF-WMZOPIPTSA-N 1 0 355.482 3.359 20 10 FGCDRO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000366699451 499037429 /nfs/dbraw/zinc/03/74/29/499037429.db2.gz VPSXCPQCXCESSQ-SBUREZEXSA-N 1 0 365.521 3.485 20 10 FGCDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295776092 499099984 /nfs/dbraw/zinc/09/99/84/499099984.db2.gz AQJOBXUHZLOOEW-INIZCTEOSA-N 1 0 374.506 3.246 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1 ZINC000367227983 499164647 /nfs/dbraw/zinc/16/46/47/499164647.db2.gz CBKRIEBBSCTPNA-UHFFFAOYSA-N 1 0 369.465 3.345 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000370373588 499214295 /nfs/dbraw/zinc/21/42/95/499214295.db2.gz JXSMKOWVROMULG-NVXWUHKLSA-N 1 0 356.441 3.273 20 10 FGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000370661351 499241085 /nfs/dbraw/zinc/24/10/85/499241085.db2.gz QVVDDLHAQBKIPC-CVBYOTHMSA-N 1 0 364.555 3.333 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1[O-] ZINC000367909416 499244269 /nfs/dbraw/zinc/24/42/69/499244269.db2.gz GNIQWLKENYBRIJ-KBXCAEBGSA-N 1 0 351.922 3.255 20 10 FGCDRO CN(C)c1ccc(C2=CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000368284318 499281456 /nfs/dbraw/zinc/28/14/56/499281456.db2.gz NESCGYRLDHBMJZ-UHFFFAOYSA-N 1 0 368.525 3.036 20 10 FGCDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3nc(C)cs3)CC2)c1O ZINC000371394990 499320271 /nfs/dbraw/zinc/32/02/71/499320271.db2.gz BNXKQPQPQKFEEA-UHFFFAOYSA-N 1 0 361.467 3.016 20 10 FGCDRO COc1ccc([C@@H](O)[C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)cc1 ZINC000371422276 499324671 /nfs/dbraw/zinc/32/46/71/499324671.db2.gz DZYQMOHWGNSAEF-DYESRHJHSA-N 1 0 373.449 3.116 20 10 FGCDRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000371485139 499333026 /nfs/dbraw/zinc/33/30/26/499333026.db2.gz KSOVMMDOOHZQKS-JXFKEZNVSA-N 1 0 354.498 3.468 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C(=O)Nc3ccccc3)CC2)cc1 ZINC000368874784 499342297 /nfs/dbraw/zinc/34/22/97/499342297.db2.gz IALQWTDZHMPTMF-MRXNPFEDSA-N 1 0 353.466 3.281 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000369104979 499365968 /nfs/dbraw/zinc/36/59/68/499365968.db2.gz OEPDQBLQVCZVFG-TZIWHRDSSA-N 1 0 370.541 3.349 20 10 FGCDRO COc1ccc(O)c([C@H](C)N[C@H](c2nnc(C)n2C)c2ccccc2)c1 ZINC000371876640 499374417 /nfs/dbraw/zinc/37/44/17/499374417.db2.gz OAEUITTYCXQZPT-DJJJIMSYSA-N 1 0 352.438 3.278 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369519607 499412130 /nfs/dbraw/zinc/41/21/30/499412130.db2.gz BYLZMFWPJSXIML-KDOFPFPSSA-N 1 0 359.495 3.288 20 10 FGCDRO CCc1nccc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000372442839 499435363 /nfs/dbraw/zinc/43/53/63/499435363.db2.gz ZYEBTBLDDWSJNV-LJQANCHMSA-N 1 0 366.509 3.255 20 10 FGCDRO COCCn1ncc2c1[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)CCC2 ZINC000375205703 499495362 /nfs/dbraw/zinc/49/53/62/499495362.db2.gz FFRIUQFHVVZLNE-OAHLLOKOSA-N 1 0 365.861 3.064 20 10 FGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1 ZINC000378344554 499504352 /nfs/dbraw/zinc/50/43/52/499504352.db2.gz ALYJIDDOLDISNX-HNNXBMFYSA-N 1 0 351.410 3.268 20 10 FGCDRO COc1cccc(C[NH+]2CCC(c3nnc4cc(C)ccn43)CC2)c1O ZINC000375354377 499510065 /nfs/dbraw/zinc/51/00/65/499510065.db2.gz FXMRKGBNIIWACS-UHFFFAOYSA-N 1 0 352.438 3.132 20 10 FGCDRO FC(F)(F)Oc1ccc(N2CC[C@H](C[NH2+]Cc3csnn3)C2)cc1 ZINC000378454451 499518951 /nfs/dbraw/zinc/51/89/51/499518951.db2.gz PRLZRMDYSTXXQM-LLVKDONJSA-N 1 0 358.389 3.053 20 10 FGCDRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000378573202 499533073 /nfs/dbraw/zinc/53/30/73/499533073.db2.gz RAMUQPFRXAZIMP-QFBILLFUSA-N 1 0 368.477 3.389 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2N(C)C)cc1OC ZINC000376484360 499611821 /nfs/dbraw/zinc/61/18/21/499611821.db2.gz MFBGOQPPUXZOND-LAUBAEHRSA-N 1 0 356.466 3.117 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1O ZINC000377803574 499736571 /nfs/dbraw/zinc/73/65/71/499736571.db2.gz YAUUTHMJZYMGMV-JQWIXIFHSA-N 1 0 350.260 3.394 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000418097651 500228696 /nfs/dbraw/zinc/22/86/96/500228696.db2.gz KUIUSOZSEIKCRN-FQEVSTJZSA-N 1 0 368.525 3.406 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3cocn3)no2)C1 ZINC000582386444 506200216 /nfs/dbraw/zinc/20/02/16/506200216.db2.gz APXWVTFLHUXGGZ-UHFFFAOYSA-N 1 0 363.421 3.494 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(F)(F)C2)C1 ZINC000444271591 500827219 /nfs/dbraw/zinc/82/72/19/500827219.db2.gz YZFOYDPNLSZXBN-UHFFFAOYSA-N 1 0 361.436 3.275 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@H](C)C2)C1 ZINC000436036065 501061300 /nfs/dbraw/zinc/06/13/00/501061300.db2.gz WZIJITFBBVNAQS-IAGOWNOFSA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000471585359 502074274 /nfs/dbraw/zinc/07/42/74/502074274.db2.gz KNASGVZEDYNODD-HZPDHXFCSA-N 1 0 356.514 3.406 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[N@@H+](C(C)C)CC3)ccc21 ZINC000486494458 502170234 /nfs/dbraw/zinc/17/02/34/502170234.db2.gz CYIYGSRLRHTMNR-UHFFFAOYSA-N 1 0 371.525 3.461 20 10 FGCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000472226190 502276971 /nfs/dbraw/zinc/27/69/71/502276971.db2.gz VGYGCEYLAOPHTI-CRAIPNDOSA-N 1 0 356.514 3.358 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000472227397 502277017 /nfs/dbraw/zinc/27/70/17/502277017.db2.gz WDKURNDDSKRQHX-QGZVFWFLSA-N 1 0 354.498 3.257 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000472239899 502281736 /nfs/dbraw/zinc/28/17/36/502281736.db2.gz MSCBRFXZTZRBNV-AEFFLSMTSA-N 1 0 354.498 3.112 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000472244698 502282925 /nfs/dbraw/zinc/28/29/25/502282925.db2.gz ZICHKSBMHOOHTR-UHFFFAOYSA-N 1 0 354.498 3.257 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000529666544 504755197 /nfs/dbraw/zinc/75/51/97/504755197.db2.gz UTEAQWFECRQFLP-HNNXBMFYSA-N 1 0 364.804 3.088 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)ccc21 ZINC000552421921 505488567 /nfs/dbraw/zinc/48/85/67/505488567.db2.gz SWHICZMAVNGLCY-RBUKOAKNSA-N 1 0 369.509 3.213 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1cc(Br)ccc1O ZINC000037138422 695754275 /nfs/dbraw/zinc/75/42/75/695754275.db2.gz RUSYFOIELXBSEM-OAHLLOKOSA-N 1 0 355.276 3.206 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1cc(Br)ccc1O ZINC000037138420 695754319 /nfs/dbraw/zinc/75/43/19/695754319.db2.gz RUSYFOIELXBSEM-HNNXBMFYSA-N 1 0 355.276 3.206 20 10 FGCDRO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118563 700224585 /nfs/dbraw/zinc/22/45/85/700224585.db2.gz HJLZAOAAYBCVNF-NWDGAFQWSA-N 1 0 357.292 3.280 20 10 FGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccccc1Cl ZINC000076192251 700227050 /nfs/dbraw/zinc/22/70/50/700227050.db2.gz HBOYPRJSKJGQDW-FQEVSTJZSA-N 1 0 360.885 3.342 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000093643860 700453005 /nfs/dbraw/zinc/45/30/05/700453005.db2.gz HCWBTVIFXKWHAS-FZMZJTMJSA-N 1 0 357.292 3.078 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCN(CCCOCC(F)(F)F)CC2)cc1C ZINC000129130513 700783984 /nfs/dbraw/zinc/78/39/84/700783984.db2.gz XCXRHYNXNLSQDE-UHFFFAOYSA-N 1 0 360.420 3.096 20 10 FGCDRO Cn1ncc(Cl)c1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000131882372 700821060 /nfs/dbraw/zinc/82/10/60/700821060.db2.gz ZHGKNARVBQNPNN-GFCCVEGCSA-N 1 0 370.831 3.434 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000133678316 700840325 /nfs/dbraw/zinc/84/03/25/700840325.db2.gz WGFQSQCXCSBLKW-BBRMVZONSA-N 1 0 350.409 3.121 20 10 FGCDRO C[C@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCC(C)CC1 ZINC000152848086 704975796 /nfs/dbraw/zinc/97/57/96/704975796.db2.gz KPQUYDBFIHATMC-CQSZACIVSA-N 1 0 356.561 3.045 20 10 FGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1)CC(F)(F)F ZINC000160350965 705250573 /nfs/dbraw/zinc/25/05/73/705250573.db2.gz MRBJBSYLYYRDJO-AWEZNQCLSA-N 1 0 360.420 3.415 20 10 FGCDRO CCCC[N@H+](Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160790655 705261389 /nfs/dbraw/zinc/26/13/89/705261389.db2.gz RRCQPNUHIPEFNB-LJQANCHMSA-N 1 0 352.544 3.322 20 10 FGCDRO COc1cc(C)cc(C[N@H+](C)Cc2cc(Br)cn2C)c1O ZINC000164491231 705330292 /nfs/dbraw/zinc/33/02/92/705330292.db2.gz MDNSARFLSHLYQP-UHFFFAOYSA-N 1 0 353.260 3.442 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000171409018 705383536 /nfs/dbraw/zinc/38/35/36/705383536.db2.gz DQZWVLNUGJIEML-WFASDCNBSA-N 1 0 363.483 3.125 20 10 FGCDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccsc1 ZINC000180652734 705751592 /nfs/dbraw/zinc/75/15/92/705751592.db2.gz JVOQCSFEQZCADD-BVBGJJFLSA-N 1 0 360.479 3.372 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000182346489 705836182 /nfs/dbraw/zinc/83/61/82/705836182.db2.gz WWLGTTSPFRVNNQ-UONOGXRCSA-N 1 0 350.459 3.451 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c(O)c1 ZINC000185288954 712690697 /nfs/dbraw/zinc/69/06/97/712690697.db2.gz RHVOXNGULRSMGR-HNNXBMFYSA-N 1 0 360.479 3.091 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCC(O)(c3ccccc3Cl)CC1)OCO2 ZINC000194947961 713540475 /nfs/dbraw/zinc/54/04/75/713540475.db2.gz NPAHEFMBDUZBQL-UHFFFAOYSA-N 1 0 361.825 3.258 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)ccc1O ZINC000228089922 713574335 /nfs/dbraw/zinc/57/43/35/713574335.db2.gz ALSJXAGRDSGZJP-FZMZJTMJSA-N 1 0 355.276 3.206 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Br)ccc1O ZINC000779065796 724386548 /nfs/dbraw/zinc/38/65/48/724386548.db2.gz PUBAEYRYEBZPKE-JSGCOSHPSA-N 1 0 350.260 3.407 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(Cl)ccc1O ZINC000756741467 722969395 /nfs/dbraw/zinc/96/93/95/722969395.db2.gz FDZPBBSXYRNLLI-LLVKDONJSA-N 1 0 351.855 3.226 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000783596629 724769878 /nfs/dbraw/zinc/76/98/78/724769878.db2.gz ZIDXZYPUHYDOIW-LBPRGKRZSA-N 1 0 355.360 3.453 20 10 FGCDRO CCN(CC)c1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1F ZINC000731320969 722474577 /nfs/dbraw/zinc/47/45/77/722474577.db2.gz ZEGCLDXTZQVAIX-UHFFFAOYSA-N 1 0 368.566 3.224 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[NH+](CC)CC)cc1F ZINC000731403478 722475125 /nfs/dbraw/zinc/47/51/25/722475125.db2.gz LQFYMCPYSGQBMO-OAHLLOKOSA-N 1 0 352.498 3.201 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1 ZINC000731450177 722475454 /nfs/dbraw/zinc/47/54/54/722475454.db2.gz MELWOWTZMHSZPO-MRXNPFEDSA-N 1 0 353.340 3.343 20 10 FGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000731843417 722478481 /nfs/dbraw/zinc/47/84/81/722478481.db2.gz DIDSZTSDDMUHMZ-OAHLLOKOSA-N 1 0 355.356 3.283 20 10 FGCDRO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000732203136 722482321 /nfs/dbraw/zinc/48/23/21/722482321.db2.gz PYYHIMXVRGVHEY-UHFFFAOYSA-N 1 0 362.857 3.015 20 10 FGCDRO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Br)ccc1O ZINC000743870801 722572179 /nfs/dbraw/zinc/57/21/79/722572179.db2.gz BNFFMJAUJNOGJM-UHFFFAOYSA-N 1 0 369.303 3.379 20 10 FGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1c(F)cccc1Cl ZINC000744448832 722577182 /nfs/dbraw/zinc/57/71/82/722577182.db2.gz YMAGZYILSUHCOP-HUTHGQBESA-N 1 0 353.777 3.125 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2(CO)CCCCC2)c1O ZINC000751509004 722811280 /nfs/dbraw/zinc/81/12/80/722811280.db2.gz GEVGRNZWIHKBBJ-UHFFFAOYSA-N 1 0 358.276 3.196 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000756489628 722965465 /nfs/dbraw/zinc/96/54/65/722965465.db2.gz QIDRQALJTPZLOI-BMQDGWLCSA-N 1 0 373.266 3.249 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1O ZINC000756502692 722965746 /nfs/dbraw/zinc/96/57/46/722965746.db2.gz KSGVSSBSVCCDBM-GXSJLCMTSA-N 1 0 367.209 3.442 20 10 FGCDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(=O)N1CCCC1 ZINC000756707053 722968869 /nfs/dbraw/zinc/96/88/69/722968869.db2.gz VQFUHIYZJHGKIK-WBMJQRKESA-N 1 0 369.303 3.452 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCCCSc1nccs1)c1cccs1 ZINC000759118085 722999785 /nfs/dbraw/zinc/99/97/85/722999785.db2.gz SDVIJICMGMYPGK-GFCCVEGCSA-N 1 0 370.569 3.289 20 10 FGCDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000759571984 723009610 /nfs/dbraw/zinc/00/96/10/723009610.db2.gz YQTXHNOWGAXWNK-KFWWJZLASA-N 1 0 370.588 3.291 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cc(Br)ccc1O ZINC000790749436 723173615 /nfs/dbraw/zinc/17/36/15/723173615.db2.gz DRUXHOFYPMAUEY-NOZJJQNGSA-N 1 0 366.263 3.278 20 10 FGCDRO Cc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1O ZINC000763441914 723343620 /nfs/dbraw/zinc/34/36/20/723343620.db2.gz HNQVJQDYDMJZSQ-HNNXBMFYSA-N 1 0 364.283 3.404 20 10 FGCDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792840307 723373342 /nfs/dbraw/zinc/37/33/42/723373342.db2.gz GCWMRLPGIAUUDK-INIZCTEOSA-N 1 0 360.420 3.399 20 10 FGCDRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792952016 723386009 /nfs/dbraw/zinc/38/60/09/723386009.db2.gz WSHLZVOFXRKJKZ-ZDUSSCGKSA-N 1 0 359.392 3.092 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000793038032 723394824 /nfs/dbraw/zinc/39/48/24/723394824.db2.gz OEDVHWDMHJBARW-PBHICJAKSA-N 1 0 358.404 3.199 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCC1 ZINC000765980836 723549973 /nfs/dbraw/zinc/54/99/73/723549973.db2.gz SNGXTWNTHIMMCL-HXUWFJFHSA-N 1 0 364.555 3.370 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3csc(C)c3)cc2F)CC1 ZINC000796230173 723627613 /nfs/dbraw/zinc/62/76/13/723627613.db2.gz DDNQRECZCUYGQF-UHFFFAOYSA-N 1 0 361.486 3.268 20 10 FGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)o1 ZINC000769236934 723680268 /nfs/dbraw/zinc/68/02/68/723680268.db2.gz JEJOTTFYJPHVGZ-LLVKDONJSA-N 1 0 352.232 3.226 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1O ZINC000769314255 723682090 /nfs/dbraw/zinc/68/20/90/723682090.db2.gz WVODGTYUPQXUAG-CQSZACIVSA-N 1 0 366.259 3.197 20 10 FGCDRO COc1cccc(O)c1C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000769387759 723683952 /nfs/dbraw/zinc/68/39/52/723683952.db2.gz NKZDRBVUTUNUIF-UHFFFAOYSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769424056 723685337 /nfs/dbraw/zinc/68/53/37/723685337.db2.gz QOUKIMDLUWZQEA-ZFWWWQNUSA-N 1 0 350.459 3.136 20 10 FGCDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769548193 723689449 /nfs/dbraw/zinc/68/94/49/723689449.db2.gz HVTCYFDJRDCCFR-UYAOXDASSA-N 1 0 350.478 3.298 20 10 FGCDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769686574 723692158 /nfs/dbraw/zinc/69/21/58/723692158.db2.gz BBTDULHAZBZSAI-HQRMLTQVSA-N 1 0 364.555 3.226 20 10 FGCDRO Fc1cc(C[NH2+]CCSCC(F)(F)F)ccc1N1CCOCC1 ZINC000769687793 723692171 /nfs/dbraw/zinc/69/21/71/723692171.db2.gz BCDZTFGLOVFZCT-UHFFFAOYSA-N 1 0 352.397 3.047 20 10 FGCDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773118646 723777041 /nfs/dbraw/zinc/77/70/41/723777041.db2.gz PGOIYPCBXREQME-NHYWBVRUSA-N 1 0 366.811 3.141 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000797140927 723786217 /nfs/dbraw/zinc/78/62/17/723786217.db2.gz OSIYMDREVXLTRF-AGIUHOORSA-N 1 0 362.499 3.428 20 10 FGCDRO CN(CCC[NH2+]Cc1ccc(Br)cc1O)CC(F)(F)F ZINC000825114422 729371232 /nfs/dbraw/zinc/37/12/32/729371232.db2.gz QKVBIGNAVSJUSM-UHFFFAOYSA-N 1 0 355.198 3.129 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000775048888 723956011 /nfs/dbraw/zinc/95/60/11/723956011.db2.gz WJLYWSBSXPVKDR-ZIAGYGMSSA-N 1 0 350.459 3.278 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1ccccc1O ZINC000775492175 723995622 /nfs/dbraw/zinc/99/56/22/723995622.db2.gz MYIFPRNEKORNAJ-SFHVURJKSA-N 1 0 362.495 3.320 20 10 FGCDRO OC[C@]1([NH2+]Cc2cc(Br)ccc2O)CCCc2ccccc21 ZINC000799343506 724015249 /nfs/dbraw/zinc/01/52/49/724015249.db2.gz HERPMYCHTXTMPT-GOSISDBHSA-N 1 0 362.267 3.468 20 10 FGCDRO Cc1cccc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1O ZINC000775689839 724025607 /nfs/dbraw/zinc/02/56/07/724025607.db2.gz MWEBICDEQICBMZ-LJQANCHMSA-N 1 0 360.885 3.205 20 10 FGCDRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775834704 724069539 /nfs/dbraw/zinc/06/95/39/724069539.db2.gz PDDCIRWDLHTEHB-CYBMUJFWSA-N 1 0 361.515 3.236 20 10 FGCDRO COc1ccc(N2CCCN(Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000799731443 724088281 /nfs/dbraw/zinc/08/82/81/724088281.db2.gz QSVGRFDWPCCYJH-UHFFFAOYSA-N 1 0 354.376 3.149 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)c1O ZINC000779002932 724380022 /nfs/dbraw/zinc/38/00/22/724380022.db2.gz KBXDBMHVOQHUAZ-IAQYHMDHSA-N 1 0 363.255 3.340 20 10 FGCDRO CO[C@H](CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000786949561 725009876 /nfs/dbraw/zinc/00/98/76/725009876.db2.gz JTFSTZCYWMONMP-MLGOLLRUSA-N 1 0 364.383 3.280 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806138322 725117503 /nfs/dbraw/zinc/11/75/03/725117503.db2.gz UBUNLHDKDXYZHC-MAUKXSAKSA-N 1 0 353.938 3.360 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000806179482 725119814 /nfs/dbraw/zinc/11/98/14/725119814.db2.gz RWMREUJKJRTGDC-GXTWGEPZSA-N 1 0 365.271 3.285 20 10 FGCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000808226608 725188672 /nfs/dbraw/zinc/18/86/72/725188672.db2.gz GJXBPLPGABGBQM-NSHDSACASA-N 1 0 363.255 3.005 20 10 FGCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000809696304 725259403 /nfs/dbraw/zinc/25/94/03/725259403.db2.gz GTNSLEVLXMIYGF-AWEZNQCLSA-N 1 0 351.752 3.281 20 10 FGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)[C@H]1C ZINC000809713369 725261615 /nfs/dbraw/zinc/26/16/15/725261615.db2.gz NLUZRRFNZGKKCJ-COPLHBTASA-N 1 0 356.260 3.222 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000809713434 725261623 /nfs/dbraw/zinc/26/16/23/725261623.db2.gz PXPPWGVBZDVJAK-UHFFFAOYSA-N 1 0 359.227 3.230 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(CCF)CC1 ZINC000810631661 725318725 /nfs/dbraw/zinc/31/87/25/725318725.db2.gz MXNYKXGPHNZEHJ-HNNXBMFYSA-N 1 0 354.853 3.266 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCSC1 ZINC000810631466 725318785 /nfs/dbraw/zinc/31/87/85/725318785.db2.gz UYLNTVLRPPOMTQ-BBRMVZONSA-N 1 0 368.930 3.269 20 10 FGCDRO COc1cccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000813792622 726914757 /nfs/dbraw/zinc/91/47/57/726914757.db2.gz SQALUEFOHMZLHG-CQSZACIVSA-N 1 0 370.218 3.126 20 10 FGCDRO C[NH+]1CCN(c2ccc(/C=C3\SC(=S)N(C4CCC4)C3=O)cc2)CC1 ZINC000814186002 726945790 /nfs/dbraw/zinc/94/57/90/726945790.db2.gz TZUFKLDAWOJBJY-LGMDPLHJSA-N 1 0 373.547 3.192 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccsc3C)CC2)cc1 ZINC000815113209 727039558 /nfs/dbraw/zinc/03/95/58/727039558.db2.gz SOTQNRREFLWQLI-UHFFFAOYSA-N 1 0 359.539 3.367 20 10 FGCDRO C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817899402 727287364 /nfs/dbraw/zinc/28/73/64/727287364.db2.gz LMLVUBMZWHOHQS-VKJFTORMSA-N 1 0 353.457 3.377 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)C2)cc1 ZINC000818219244 727302152 /nfs/dbraw/zinc/30/21/52/727302152.db2.gz AYDUUYCCHTZWOQ-CKEIUWERSA-N 1 0 358.404 3.221 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)C2)cc1 ZINC000818341969 727308299 /nfs/dbraw/zinc/30/82/99/727308299.db2.gz JPQYLSCNVYUNJF-DQEVTTJGSA-N 1 0 364.580 3.491 20 10 FGCDRO O[C@H](C[NH2+]CCCSc1nccs1)COc1cccc2[nH]ccc21 ZINC000819063974 727343637 /nfs/dbraw/zinc/34/36/37/727343637.db2.gz QZCXBMDTLLEHLN-CYBMUJFWSA-N 1 0 363.508 3.136 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COc1ccccc1Cl ZINC000819094768 727346812 /nfs/dbraw/zinc/34/68/12/727346812.db2.gz LSVLAOYIODVQHI-GOSISDBHSA-N 1 0 358.869 3.246 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3ccccc3Cl)C2)cc1 ZINC000819380697 727372092 /nfs/dbraw/zinc/37/20/92/727372092.db2.gz RPQJWDCEMHSOQN-QRWLVFNGSA-N 1 0 360.885 3.498 20 10 FGCDRO CC(=O)N1CCC([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823602711 729292063 /nfs/dbraw/zinc/29/20/63/729292063.db2.gz QZIOSSZWWFPDIU-UHFFFAOYSA-N 1 0 357.523 3.485 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000824099198 729319467 /nfs/dbraw/zinc/31/94/67/729319467.db2.gz ROCGGPCAEZHPHT-INIZCTEOSA-N 1 0 355.507 3.237 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)cc1Cl ZINC000824824268 729360136 /nfs/dbraw/zinc/36/01/36/729360136.db2.gz IPVCUOCXUPTMOG-UHFFFAOYSA-N 1 0 358.869 3.373 20 10 FGCDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825114764 729371501 /nfs/dbraw/zinc/37/15/01/729371501.db2.gz WCUGTZQQGBCFKK-UHFFFAOYSA-N 1 0 369.303 3.281 20 10 FGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000825190102 729374097 /nfs/dbraw/zinc/37/40/97/729374097.db2.gz FCCPMYTVSOXKQZ-YJBOKZPZSA-N 1 0 352.425 3.414 20 10 FGCDRO COc1cc(Br)cc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1O ZINC000825332508 729379136 /nfs/dbraw/zinc/37/91/36/729379136.db2.gz ZHEWKTMCQCPWEL-CQSZACIVSA-N 1 0 357.292 3.078 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000825500781 729385531 /nfs/dbraw/zinc/38/55/31/729385531.db2.gz HWCBNYAQWOAFDF-MRXNPFEDSA-N 1 0 350.256 3.238 20 10 FGCDRO COC(=O)c1nc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)ccc1Cl ZINC000826980949 729420697 /nfs/dbraw/zinc/42/06/97/729420697.db2.gz CBYHBXDEZMRPPL-UHFFFAOYSA-N 1 0 371.220 3.179 20 10 FGCDRO CCOC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000830544977 729570234 /nfs/dbraw/zinc/57/02/34/729570234.db2.gz VBFLZVMLYSACSL-INIZCTEOSA-N 1 0 366.889 3.085 20 10 FGCDRO CC[C@H](Sc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274855 729701529 /nfs/dbraw/zinc/70/15/29/729701529.db2.gz ZYEUVQNSPMAITJ-MOPGFXCFSA-N 1 0 357.523 3.440 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(Br)s2)cc1 ZINC000832285416 729702500 /nfs/dbraw/zinc/70/25/00/729702500.db2.gz QIQCIKTUNLQMAW-LBPRGKRZSA-N 1 0 368.300 3.006 20 10 FGCDRO Cc1cccc(CSCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832286142 729702525 /nfs/dbraw/zinc/70/25/25/729702525.db2.gz WQBOYZMPEBUWEH-IBGZPJMESA-N 1 0 357.523 3.110 20 10 FGCDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1cc(F)c(F)c(F)c1 ZINC000834783112 729833868 /nfs/dbraw/zinc/83/38/68/729833868.db2.gz CSGKMJNWCNKSOG-MLGOLLRUSA-N 1 0 351.368 3.238 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000834830685 729837613 /nfs/dbraw/zinc/83/76/13/729837613.db2.gz LVURAQUBJFSZPX-HNNXBMFYSA-N 1 0 355.816 3.460 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c2c1c(F)ccc2O ZINC000834828366 729837669 /nfs/dbraw/zinc/83/76/69/729837669.db2.gz SILHSHKJPXYLRV-JMSVASOKSA-N 1 0 361.438 3.240 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1OC)c1cc(Br)ccc1O ZINC000834880710 729841894 /nfs/dbraw/zinc/84/18/94/729841894.db2.gz OMGGEEDWUHEFGY-PJODQICGSA-N 1 0 358.276 3.247 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835051772 729853123 /nfs/dbraw/zinc/85/31/23/729853123.db2.gz IJUCOZNQYSUBND-AATRIKPKSA-N 1 0 364.536 3.411 20 10 FGCDRO CCC(C)(C)OCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484470 730034342 /nfs/dbraw/zinc/03/43/42/730034342.db2.gz GJBAZYUEPXMVGM-MRXNPFEDSA-N 1 0 368.905 3.331 20 10 FGCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000840888926 730188479 /nfs/dbraw/zinc/18/84/79/730188479.db2.gz BDNYGMVDCNPLAY-LLVKDONJSA-N 1 0 365.417 3.277 20 10 FGCDRO Nc1ccc(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000841297466 730231104 /nfs/dbraw/zinc/23/11/04/730231104.db2.gz QPUATQDZXXCQLB-GOSISDBHSA-N 1 0 356.495 3.008 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841743520 730269954 /nfs/dbraw/zinc/26/99/54/730269954.db2.gz AQQKPAHUMZXIFP-CYBMUJFWSA-N 1 0 353.871 3.311 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1O ZINC000841747965 730270204 /nfs/dbraw/zinc/27/02/04/730270204.db2.gz VEDIWMUPXYDZQZ-NSHDSACASA-N 1 0 354.859 3.268 20 10 FGCDRO Nc1ccc(Cc2nc(C(=O)NCC3([NH3+])CCCCCC3)cs2)cc1 ZINC000841847066 730281272 /nfs/dbraw/zinc/28/12/72/730281272.db2.gz XTAPQMHLVVZTAI-UHFFFAOYSA-N 1 0 358.511 3.098 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[NH2+]C3CC3)cc2Cl)C1 ZINC000841895776 730283890 /nfs/dbraw/zinc/28/38/90/730283890.db2.gz GDAPJRHDSWQKQO-CQSZACIVSA-N 1 0 364.921 3.128 20 10 FGCDRO c1ccc2c(c1)O[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CS2 ZINC000842726862 730536102 /nfs/dbraw/zinc/53/61/02/730536102.db2.gz QAWYCAIBTPWWKF-SFHVURJKSA-N 1 0 356.491 3.166 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1nc2ccccc2s1 ZINC000843350846 730609565 /nfs/dbraw/zinc/60/95/65/730609565.db2.gz WVXXVEFPCMPVNE-UHFFFAOYSA-N 1 0 352.463 3.146 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC([C@H](C)CO)CC2)c1O ZINC000846058181 730924159 /nfs/dbraw/zinc/92/41/59/730924159.db2.gz MXGUKERALXNFOH-LLVKDONJSA-N 1 0 358.276 3.004 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000846056651 730924267 /nfs/dbraw/zinc/92/42/67/730924267.db2.gz WADWVSNINXFTOT-FZKQIMNGSA-N 1 0 352.862 3.392 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1O ZINC000846157319 730932556 /nfs/dbraw/zinc/93/25/56/730932556.db2.gz KAULXXWVWJMGHX-IUODEOHRSA-N 1 0 350.459 3.355 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846674079 730972296 /nfs/dbraw/zinc/97/22/96/730972296.db2.gz ZDOQHBIYHSRZRX-LSDHHAIUSA-N 1 0 367.287 3.034 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccccn2)c1O ZINC000848514924 731173866 /nfs/dbraw/zinc/17/38/66/731173866.db2.gz TYANVONXFJCIGY-LLVKDONJSA-N 1 0 351.244 3.452 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)c1O ZINC000848518692 731174146 /nfs/dbraw/zinc/17/41/46/731174146.db2.gz MQRQJJCGPFYUKC-TUKIKUTGSA-N 1 0 369.303 3.441 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2c[nH]nc2C)c1O ZINC000848520577 731174828 /nfs/dbraw/zinc/17/48/28/731174828.db2.gz ZPYFWJVQBHZTDS-LLVKDONJSA-N 1 0 368.275 3.478 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)c1O ZINC000848522966 731174858 /nfs/dbraw/zinc/17/48/58/731174858.db2.gz ZUKSQCJDGAAJCC-LLVKDONJSA-N 1 0 369.303 3.441 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000848524586 731175289 /nfs/dbraw/zinc/17/52/89/731175289.db2.gz HDDQHCMOCQLANC-QWRGUYRKSA-N 1 0 366.259 3.235 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)c1O ZINC000848528849 731175939 /nfs/dbraw/zinc/17/59/39/731175939.db2.gz ILAZUYZUZIMKLH-GWCFXTLKSA-N 1 0 370.243 3.449 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOc2cccnc2)c1O ZINC000848529971 731175973 /nfs/dbraw/zinc/17/59/73/731175973.db2.gz APQWSHORVCHASE-NSHDSACASA-N 1 0 367.243 3.288 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1O ZINC000848551321 731180187 /nfs/dbraw/zinc/18/01/87/731180187.db2.gz JPKAYTQVFHVRCO-ONGXEEELSA-N 1 0 366.259 3.095 20 10 FGCDRO CCCn1nccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000850137142 731324090 /nfs/dbraw/zinc/32/40/90/731324090.db2.gz KELCUGHEUTVNNH-QGZVFWFLSA-N 1 0 362.905 3.406 20 10 FGCDRO COc1cc(C[NH2+]CCCOC[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850154538 731326812 /nfs/dbraw/zinc/32/68/12/731326812.db2.gz STECARAALQXJIO-HNNXBMFYSA-N 1 0 351.487 3.231 20 10 FGCDRO COc1cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850327685 731343285 /nfs/dbraw/zinc/34/32/85/731343285.db2.gz OOLZSRBRQUXZME-UHFFFAOYSA-N 1 0 369.527 3.003 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc([C@@H]4CCCO4)s3)C2)cc1 ZINC000850347140 731345188 /nfs/dbraw/zinc/34/51/88/731345188.db2.gz OGZLSWNVCSBTST-KDOFPFPSSA-N 1 0 359.495 3.372 20 10 FGCDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000850350413 731346457 /nfs/dbraw/zinc/34/64/57/731346457.db2.gz RRRAPZSYHQRORJ-AWEZNQCLSA-N 1 0 358.276 3.458 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850500217 731365321 /nfs/dbraw/zinc/36/53/21/731365321.db2.gz BQWDDOBZNORIOY-DADCAPFISA-N 1 0 368.518 3.003 20 10 FGCDRO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557116 731372624 /nfs/dbraw/zinc/37/26/24/731372624.db2.gz UOWXDJJBHJCMKM-HZPDHXFCSA-N 1 0 351.922 3.312 20 10 FGCDRO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000850556875 731372746 /nfs/dbraw/zinc/37/27/46/731372746.db2.gz KJTKFCYQJSRJTR-SWLSCSKDSA-N 1 0 369.303 3.059 20 10 FGCDRO COc1ncc(Br)cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000852741686 731628988 /nfs/dbraw/zinc/62/89/88/731628988.db2.gz ZXMFWAQXQDHDNE-UHFFFAOYSA-N 1 0 362.271 3.264 20 10 FGCDRO OC[C@@]1([NH2+]Cc2c(O)cccc2Br)CCCc2ccccc21 ZINC000858161632 732187265 /nfs/dbraw/zinc/18/72/65/732187265.db2.gz CCMRMVQHTFYCAZ-SFHVURJKSA-N 1 0 362.267 3.468 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc3c(cc2Br)OCO3)c1 ZINC000858237730 732195591 /nfs/dbraw/zinc/19/55/91/732195591.db2.gz PHZAZJSXTMIMPT-UHFFFAOYSA-N 1 0 350.212 3.482 20 10 FGCDRO CCCCNC(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862220593 732788226 /nfs/dbraw/zinc/78/82/26/732788226.db2.gz WHWAVCLLXYWBHE-UHFFFAOYSA-N 1 0 369.303 3.283 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000865404301 733192466 /nfs/dbraw/zinc/19/24/66/733192466.db2.gz IHNDCNGRJWSURF-AWEZNQCLSA-N 1 0 357.445 3.391 20 10 FGCDRO COc1ccc(C[NH2+][C@H](CO)c2sccc2C)cc1Cn1cccn1 ZINC000873069331 735717341 /nfs/dbraw/zinc/71/73/41/735717341.db2.gz CJSUOXWAWGBIPQ-QGZVFWFLSA-N 1 0 357.479 3.133 20 10 FGCDRO COC(=O)c1csc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000876551759 736113110 /nfs/dbraw/zinc/11/31/10/736113110.db2.gz VXKUTACABIBDFU-UHFFFAOYSA-N 1 0 360.479 3.003 20 10 FGCDRO Cc1cccc(O)c1C[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000876642083 736125637 /nfs/dbraw/zinc/12/56/37/736125637.db2.gz RNVYYCUGBIXDMQ-UHFFFAOYSA-N 1 0 363.479 3.005 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876698632 736133335 /nfs/dbraw/zinc/13/33/35/736133335.db2.gz KXRZPLYSDHFJBQ-DMTLFAOVSA-N 1 0 367.287 3.059 20 10 FGCDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130737 736191284 /nfs/dbraw/zinc/19/12/84/736191284.db2.gz SWSHHKQNVVCMND-BEFAXECRSA-N 1 0 360.523 3.311 20 10 FGCDRO COc1cc(Cl)cc(CNc2cnn(C3CC[NH+](C)CC3)c2)c1O ZINC000877686127 736704837 /nfs/dbraw/zinc/70/48/37/736704837.db2.gz LIZAOBSPQXCNLQ-UHFFFAOYSA-N 1 0 350.850 3.130 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H]1CCCOC1 ZINC000883353189 737556927 /nfs/dbraw/zinc/55/69/27/737556927.db2.gz PZDSKIQCJRVQET-SMDDNHRTSA-N 1 0 358.276 3.458 20 10 FGCDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747034 739290873 /nfs/dbraw/zinc/29/08/73/739290873.db2.gz JEIAWDPGJFBPGB-OAHLLOKOSA-N 1 0 357.523 3.171 20 10 FGCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(O)c1OC ZINC000895017898 742364928 /nfs/dbraw/zinc/36/49/28/742364928.db2.gz JTFREPMRHVTWIO-NVXWUHKLSA-N 1 0 363.841 3.371 20 10 FGCDRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000895051299 742369072 /nfs/dbraw/zinc/36/90/72/742369072.db2.gz MQQMDBGDHPMTIZ-AWEZNQCLSA-N 1 0 360.479 3.159 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)COCCO3)c(C(F)(F)F)c1 ZINC000895697170 742441384 /nfs/dbraw/zinc/44/13/84/742441384.db2.gz MKENQJMJWVZIKY-UHFFFAOYSA-N 1 0 358.404 3.153 20 10 FGCDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000896961754 742621943 /nfs/dbraw/zinc/62/19/43/742621943.db2.gz IUTJSAVMXIKVHN-UHFFFAOYSA-N 1 0 361.360 3.108 20 10 FGCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000898102442 742745543 /nfs/dbraw/zinc/74/55/43/742745543.db2.gz UABVUVHCWKRSNU-CTYIDZIISA-N 1 0 350.459 3.102 20 10 FGCDRO CC(C)[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000903063938 743800594 /nfs/dbraw/zinc/80/05/94/743800594.db2.gz JLOHQIJCSHVYMJ-QMTHXVAHSA-N 1 0 353.264 3.331 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000903181013 743818494 /nfs/dbraw/zinc/81/84/94/743818494.db2.gz MGNIGNUCSAYVNI-SJORKVTESA-N 1 0 358.404 3.364 20 10 FGCDRO CC[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000903211874 743823124 /nfs/dbraw/zinc/82/31/24/743823124.db2.gz FLKDZKFZOBMGPI-SMDDNHRTSA-N 1 0 355.276 3.064 20 10 FGCDRO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000903273625 743833485 /nfs/dbraw/zinc/83/34/85/743833485.db2.gz CJXPVROXCJXZQI-AWEZNQCLSA-N 1 0 366.868 3.193 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1 ZINC000903436028 743851311 /nfs/dbraw/zinc/85/13/11/743851311.db2.gz TYIPIBNWYBIRBQ-STQMWFEESA-N 1 0 362.861 3.088 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC000903477863 743854376 /nfs/dbraw/zinc/85/43/76/743854376.db2.gz DCNJLPVTEBKIBJ-VXGBXAGGSA-N 1 0 350.260 3.325 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1F ZINC000922597226 758958476 /nfs/dbraw/zinc/95/84/76/758958476.db2.gz VRHGIHZSSQNOKK-UHFFFAOYSA-N 1 0 350.478 3.083 20 10 FGCDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000923005030 759048836 /nfs/dbraw/zinc/04/88/36/759048836.db2.gz LKSNATDBNGKDAT-SHTZXODSSA-N 1 0 353.304 3.300 20 10 FGCDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924761966 759381372 /nfs/dbraw/zinc/38/13/72/759381372.db2.gz XSNFPBZJBXXZSL-JXFKEZNVSA-N 1 0 352.494 3.206 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cn(C)cn1 ZINC000924905695 759414460 /nfs/dbraw/zinc/41/44/60/759414460.db2.gz ISTNAHWVWIYYDC-CYBMUJFWSA-N 1 0 350.413 3.341 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000926910384 759844710 /nfs/dbraw/zinc/84/47/10/759844710.db2.gz UVSXIJUCDGRPEE-AWEZNQCLSA-N 1 0 363.479 3.088 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779017526 724381483 /nfs/dbraw/zinc/38/14/83/724381483.db2.gz KRXNNZNOSWIKDH-LKSINWNRSA-N 1 0 369.303 3.419 20 10 FGCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090183247 494454425 /nfs/dbraw/zinc/45/44/25/494454425.db2.gz BHKVLKVSWMUCSI-OAHLLOKOSA-N 1 0 368.518 3.291 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000092645071 494692830 /nfs/dbraw/zinc/69/28/30/494692830.db2.gz OAHXWHGIFKSUAW-UHFFFAOYSA-N 1 0 370.497 3.299 20 10 FGCDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000126850258 494849750 /nfs/dbraw/zinc/84/97/50/494849750.db2.gz WSUGUHRWOXUDGT-OAHLLOKOSA-N 1 0 362.493 3.050 20 10 FGCDRO C[N@H+](CCCO)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093394878 494886103 /nfs/dbraw/zinc/88/61/03/494886103.db2.gz FAHVTDWPHRCINF-UHFFFAOYSA-N 1 0 354.494 3.338 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093685091 494912291 /nfs/dbraw/zinc/91/22/91/494912291.db2.gz YXECJYMFGWZTQE-CQSZACIVSA-N 1 0 374.403 3.024 20 10 FGCDRO CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000109773209 494916963 /nfs/dbraw/zinc/91/69/63/494916963.db2.gz LINHFRKLPZPKBI-HNNXBMFYSA-N 1 0 372.465 3.109 20 10 FGCDRO Cc1nn(C)c2ncc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)cc12 ZINC000111233038 495051246 /nfs/dbraw/zinc/05/12/46/495051246.db2.gz CORWTHBVXVNRNJ-SFHVURJKSA-N 1 0 366.465 3.164 20 10 FGCDRO CCOc1cccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1O ZINC000111405859 495071976 /nfs/dbraw/zinc/07/19/76/495071976.db2.gz COWJSIIDEUQQLL-UHFFFAOYSA-N 1 0 354.450 3.203 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)n1-c1ccccn1 ZINC000154795799 495731023 /nfs/dbraw/zinc/73/10/23/495731023.db2.gz NXTTVFGTAKRXJU-HKUYNNGSSA-N 1 0 352.482 3.045 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000155270845 495899254 /nfs/dbraw/zinc/89/92/54/495899254.db2.gz OPYNYMFJENMBDD-KBXCAEBGSA-N 1 0 362.495 3.444 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)Cc2cc(Br)cn2C)cc1OC ZINC000160402429 495954886 /nfs/dbraw/zinc/95/48/86/495954886.db2.gz SVWIWPRWDMZSBM-UHFFFAOYSA-N 1 0 369.259 3.142 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000183428513 495979127 /nfs/dbraw/zinc/97/91/27/495979127.db2.gz BFIDACRQIXTPOT-GJZGRUSLSA-N 1 0 354.450 3.461 20 10 FGCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000183450657 495989071 /nfs/dbraw/zinc/98/90/71/495989071.db2.gz NDCOCJWRRHODDE-ZDUSSCGKSA-N 1 0 368.433 3.267 20 10 FGCDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000183526837 496019569 /nfs/dbraw/zinc/01/95/69/496019569.db2.gz DGJNQRGOQTYXJJ-CQSZACIVSA-N 1 0 360.429 3.294 20 10 FGCDRO COc1cccc(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1O ZINC000183775246 496113503 /nfs/dbraw/zinc/11/35/03/496113503.db2.gz KYLGGUAYLPACMK-UHFFFAOYSA-N 1 0 357.454 3.212 20 10 FGCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000180726356 496120238 /nfs/dbraw/zinc/12/02/38/496120238.db2.gz CTDMEPLESHDBMF-FZMUQLTDSA-N 1 0 358.482 3.082 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000172112379 496169269 /nfs/dbraw/zinc/16/92/69/496169269.db2.gz NUGHPAVEBHBXGU-UHFFFAOYSA-N 1 0 362.495 3.021 20 10 FGCDRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178254442 496387880 /nfs/dbraw/zinc/38/78/80/496387880.db2.gz ZMILZDWEJDOYQN-MRXNPFEDSA-N 1 0 361.505 3.187 20 10 FGCDRO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000162908050 496431173 /nfs/dbraw/zinc/43/11/73/496431173.db2.gz QVVDDLHAQBKIPC-OYRDERLMSA-N 1 0 364.555 3.333 20 10 FGCDRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178449465 496461642 /nfs/dbraw/zinc/46/16/42/496461642.db2.gz PZALFHKTBWESRC-YWZLYKJASA-N 1 0 374.456 3.055 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cc(F)cc(F)c3)SC2=S)CC1 ZINC000157403395 496470968 /nfs/dbraw/zinc/47/09/68/496470968.db2.gz SFELZYPZPFUUDN-ZSOIEALJSA-N 1 0 354.447 3.260 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000184894235 496573817 /nfs/dbraw/zinc/57/38/17/496573817.db2.gz OVUHMMBWZYZGIC-MRXNPFEDSA-N 1 0 356.466 3.084 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000184939503 496593434 /nfs/dbraw/zinc/59/34/34/496593434.db2.gz JFORUXBJIUFRQO-NPMXOYFQSA-N 1 0 353.871 3.264 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Cl)ccc1O ZINC000273383094 496790325 /nfs/dbraw/zinc/79/03/25/496790325.db2.gz CGRODFXKTIDOSJ-SUMWQHHRSA-N 1 0 359.857 3.282 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c(O)c1 ZINC000264542565 496924633 /nfs/dbraw/zinc/92/46/33/496924633.db2.gz RUILJAXXYAHJTQ-UHFFFAOYSA-N 1 0 352.438 3.111 20 10 FGCDRO CC1(C)OCc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2O1 ZINC000274414992 497093325 /nfs/dbraw/zinc/09/33/25/497093325.db2.gz WUBRFWBXHQPFHK-UHFFFAOYSA-N 1 0 368.477 3.458 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000278713288 497197998 /nfs/dbraw/zinc/19/79/98/497197998.db2.gz KNQDPZKQECECRZ-ZDUSSCGKSA-N 1 0 353.426 3.130 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000271179123 497282403 /nfs/dbraw/zinc/28/24/03/497282403.db2.gz LDXBHMAVQHZSSK-ZFWWWQNUSA-N 1 0 350.459 3.136 20 10 FGCDRO [NH3+]CCCCCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237998723 497325398 /nfs/dbraw/zinc/32/53/98/497325398.db2.gz PQKVVMLNHQLKDO-HNNXBMFYSA-N 1 0 369.456 3.282 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754745 497440071 /nfs/dbraw/zinc/44/00/71/497440071.db2.gz CPBOMBPOULOZPQ-BBRMVZONSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000272150315 497549600 /nfs/dbraw/zinc/54/96/00/497549600.db2.gz ZYVCSYGWPVXWPE-NRFANRHFSA-N 1 0 371.433 3.422 20 10 FGCDRO Cc1ccc(N)cc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000279879322 497574187 /nfs/dbraw/zinc/57/41/87/497574187.db2.gz FQFPUHVBTHOXAZ-UHFFFAOYSA-N 1 0 364.493 3.362 20 10 FGCDRO CCOC1CC(C[NH2+][C@H](CC)c2ccc(C)cc2O)(N2CCOCC2)C1 ZINC000280093852 497646944 /nfs/dbraw/zinc/64/69/44/497646944.db2.gz MQLVXUZTHNLVFL-MOMVYJMYSA-N 1 0 362.514 3.011 20 10 FGCDRO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272521916 497650327 /nfs/dbraw/zinc/65/03/27/497650327.db2.gz NSSYCBXLNKIFPB-PKOBYXMFSA-N 1 0 367.493 3.444 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280288380 497709106 /nfs/dbraw/zinc/70/91/06/497709106.db2.gz NYBULJDUAUUELM-CQSZACIVSA-N 1 0 357.328 3.123 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(F)c(F)c1[O-] ZINC000191209041 497743664 /nfs/dbraw/zinc/74/36/64/497743664.db2.gz KTUULPCTNZZYQS-CQSZACIVSA-N 1 0 362.420 3.353 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364261184 497867733 /nfs/dbraw/zinc/86/77/33/497867733.db2.gz VKLZAVMMCLYPJQ-CYBMUJFWSA-N 1 0 369.303 3.283 20 10 FGCDRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033791 497898460 /nfs/dbraw/zinc/89/84/60/497898460.db2.gz QGEJLMMWMFGWRH-UZLBHIALSA-N 1 0 352.478 3.390 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@@H](c2nccn2C)C2CCOCC2)c(O)c1 ZINC000284832263 497915490 /nfs/dbraw/zinc/91/54/90/497915490.db2.gz VWOFGTHFKCKXEK-LJQANCHMSA-N 1 0 359.470 3.172 20 10 FGCDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000301155765 497975105 /nfs/dbraw/zinc/97/51/05/497975105.db2.gz AALWTHSYWGJJPI-CQSZACIVSA-N 1 0 362.817 3.425 20 10 FGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1CO)c1ccc(N2CCOCC2)cc1 ZINC000364584181 498036375 /nfs/dbraw/zinc/03/63/75/498036375.db2.gz VLIHWOLFBBXVJP-NYDSKATKSA-N 1 0 366.505 3.470 20 10 FGCDRO COc1c(O)c(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000365123302 498307996 /nfs/dbraw/zinc/30/79/96/498307996.db2.gz UTLCDNZQAAQITJ-HNNXBMFYSA-N 1 0 368.393 3.106 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289857894 498324589 /nfs/dbraw/zinc/32/45/89/498324589.db2.gz VIEPGHQXWQQLCP-ZYHUDNBSSA-N 1 0 353.768 3.047 20 10 FGCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2Cl)C1 ZINC000281947453 498329920 /nfs/dbraw/zinc/32/99/20/498329920.db2.gz IJDUNAWJTOYSFD-AWEZNQCLSA-N 1 0 364.921 3.209 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000289932787 498358092 /nfs/dbraw/zinc/35/80/92/498358092.db2.gz XZGKFJZSRKMMSP-KRWDZBQOSA-N 1 0 366.255 3.161 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)n1-c1ccccn1 ZINC000286638567 498460674 /nfs/dbraw/zinc/46/06/74/498460674.db2.gz BDEOEMYIKXXZIY-HKUYNNGSSA-N 1 0 352.482 3.188 20 10 FGCDRO CCn1cnnc1[C@H]1C[N@@H+]([C@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525685 498513447 /nfs/dbraw/zinc/51/34/47/498513447.db2.gz CWPKKLMKOUOQTH-RDTXWAMCSA-N 1 0 352.438 3.291 20 10 FGCDRO Cc1cnccc1OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000365833729 498662015 /nfs/dbraw/zinc/66/20/15/498662015.db2.gz RRMKFOGOZOZLML-UHFFFAOYSA-N 1 0 367.493 3.270 20 10 FGCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000294579406 498736999 /nfs/dbraw/zinc/73/69/99/498736999.db2.gz GUVMMFBQEKAYAJ-UHFFFAOYSA-N 1 0 358.822 3.150 20 10 FGCDRO CON(C)C(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000291192714 498837536 /nfs/dbraw/zinc/83/75/36/498837536.db2.gz GTGXTWMCEFUUCA-UHFFFAOYSA-N 1 0 354.450 3.291 20 10 FGCDRO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1O ZINC000366305160 498866174 /nfs/dbraw/zinc/86/61/74/498866174.db2.gz PVLSRQZQIRHDAC-QZTJIDSGSA-N 1 0 366.461 3.000 20 10 FGCDRO CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000295163484 498929897 /nfs/dbraw/zinc/92/98/97/498929897.db2.gz HHWSSXYDWVEYGU-KQUPGTECSA-N 1 0 364.555 3.033 20 10 FGCDRO COCc1nc(CNCc2cc(Br)cc(C)c2O)cs1 ZINC000291519981 498975054 /nfs/dbraw/zinc/97/50/54/498975054.db2.gz JAWVKZQSJYYCJH-UHFFFAOYSA-N 1 0 357.273 3.356 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000283903520 499009625 /nfs/dbraw/zinc/00/96/25/499009625.db2.gz DBCZDYUZVBHPGV-OAHLLOKOSA-N 1 0 362.495 3.110 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363913190 499051336 /nfs/dbraw/zinc/05/13/36/499051336.db2.gz GYYJNLQLPUBKJL-PZJWPPBQSA-N 1 0 370.541 3.445 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000367376686 499190888 /nfs/dbraw/zinc/19/08/88/499190888.db2.gz CULIUUYUHIDWBG-XYJFISCASA-N 1 0 358.461 3.178 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3cnn4ccccc34)CC2)cc1 ZINC000367428273 499197673 /nfs/dbraw/zinc/19/76/73/499197673.db2.gz GVCDTQLWMKKTQN-UHFFFAOYSA-N 1 0 350.466 3.444 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(N(C)C)cc1 ZINC000370669600 499242301 /nfs/dbraw/zinc/24/23/01/499242301.db2.gz NSUVKZNPRHLGDY-QUCCMNQESA-N 1 0 352.482 3.103 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000368009854 499254576 /nfs/dbraw/zinc/25/45/76/499254576.db2.gz XTCUDGDNMFZHBA-GOSISDBHSA-N 1 0 365.456 3.255 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3cnc([C@H](C)O)s3)CC2)cc1 ZINC000368016728 499255406 /nfs/dbraw/zinc/25/54/06/499255406.db2.gz LDDLMHLUZICLEL-AWEZNQCLSA-N 1 0 361.511 3.306 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000368031239 499257237 /nfs/dbraw/zinc/25/72/37/499257237.db2.gz SKILIRUBNUVUJE-OAHLLOKOSA-N 1 0 359.470 3.355 20 10 FGCDRO Cc1cn[nH]c1C[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368074096 499261880 /nfs/dbraw/zinc/26/18/80/499261880.db2.gz UCKXODINOJHZCI-CYBMUJFWSA-N 1 0 354.376 3.233 20 10 FGCDRO COc1cccc(C(=O)NC2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000371478293 499332450 /nfs/dbraw/zinc/33/24/50/499332450.db2.gz VONAHBGROGMCIA-UHFFFAOYSA-N 1 0 354.450 3.104 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCc3cnn(CCOC)c32)c(O)c1 ZINC000368857569 499340348 /nfs/dbraw/zinc/34/03/48/499340348.db2.gz WJZUPIXWSYQIQJ-GOSISDBHSA-N 1 0 359.470 3.191 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3nccs3)CC2)cc1F ZINC000372398735 499429412 /nfs/dbraw/zinc/42/94/12/499429412.db2.gz UETDGABJQAREOU-UHFFFAOYSA-N 1 0 362.474 3.199 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccnc(C)n2)C1=O)c1ccc(C)cc1O ZINC000373519335 499474685 /nfs/dbraw/zinc/47/46/85/499474685.db2.gz IWBVVPUEPDLQQP-MOPGFXCFSA-N 1 0 368.481 3.031 20 10 FGCDRO CCc1nccc([C@@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000378436877 499516746 /nfs/dbraw/zinc/51/67/46/499516746.db2.gz DQOPYAQCGSZPKB-CQSZACIVSA-N 1 0 357.454 3.141 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)c1O ZINC000375875067 499564085 /nfs/dbraw/zinc/56/40/85/499564085.db2.gz SDNRDADAFCXFJA-ROUUACIJSA-N 1 0 364.873 3.224 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Br)ccc1O ZINC000376302013 499598880 /nfs/dbraw/zinc/59/88/80/499598880.db2.gz IMHAVCFCUQIZAB-NORZTCDRSA-N 1 0 356.260 3.143 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000377709040 499723474 /nfs/dbraw/zinc/72/34/74/499723474.db2.gz UDMHCXAWQMLOTQ-KUDFPVQQSA-N 1 0 355.482 3.482 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418098981 500229538 /nfs/dbraw/zinc/22/95/38/500229538.db2.gz MSAJZKPUBFTDQI-IAGOWNOFSA-N 1 0 354.498 3.018 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C)CCO[C@@H]2C)C1 ZINC000436026119 501058925 /nfs/dbraw/zinc/05/89/25/501058925.db2.gz NLMKRHPHSPFJKJ-OPAMFIHVSA-N 1 0 369.509 3.092 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C)CCO[C@H]2C)C1 ZINC000436026118 501059082 /nfs/dbraw/zinc/05/90/82/501059082.db2.gz NLMKRHPHSPFJKJ-KSFYIVLOSA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458728933 501517083 /nfs/dbraw/zinc/51/70/83/501517083.db2.gz FMAVUPVEEUACHZ-OAQYLSRUSA-N 1 0 354.498 3.114 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000471674188 502105164 /nfs/dbraw/zinc/10/51/64/502105164.db2.gz PQFGIQRBYGEDTG-INIZCTEOSA-N 1 0 356.514 3.408 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000490427442 503172345 /nfs/dbraw/zinc/17/23/45/503172345.db2.gz ABZOMVGNUAYZHU-KRWDZBQOSA-N 1 0 369.509 3.119 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)c1 ZINC000527775862 503938602 /nfs/dbraw/zinc/93/86/02/503938602.db2.gz WLCSADWYGPKKRH-GOSISDBHSA-N 1 0 356.466 3.164 20 10 FGCDRO COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000527963474 504017543 /nfs/dbraw/zinc/01/75/43/504017543.db2.gz ADQRJNQBKVZHFI-NVXWUHKLSA-N 1 0 356.466 3.335 20 10 FGCDRO C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@@H]21 ZINC000830941192 602203351 /nfs/dbraw/zinc/20/33/51/602203351.db2.gz UMYQREOVTYMWFF-KXBFYZLASA-N 1 0 354.450 3.160 20 10 FGCDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccccc1-c1nn[nH]n1 ZINC000823733356 606751724 /nfs/dbraw/zinc/75/17/24/606751724.db2.gz VCLVRRPXHYDLPL-UHFFFAOYSA-N 1 0 361.405 3.368 20 10 FGCDRO CC[N@H+](Cc1c(O)cccc1OC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428282 608549915 /nfs/dbraw/zinc/54/99/15/608549915.db2.gz HZUAWEKMBHHSJK-CYBMUJFWSA-N 1 0 353.426 3.164 20 10 FGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090811417 700407794 /nfs/dbraw/zinc/40/77/94/700407794.db2.gz AEHCVVOMGVTJLJ-DNVCBOLYSA-N 1 0 352.494 3.356 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000092505399 700436934 /nfs/dbraw/zinc/43/69/34/700436934.db2.gz XMKKOUISJHDUFD-UHFFFAOYSA-N 1 0 366.811 3.132 20 10 FGCDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc(Br)ccc1O ZINC000105433522 700500909 /nfs/dbraw/zinc/50/09/09/700500909.db2.gz WCLJDOGGWOGOJL-UHFFFAOYSA-N 1 0 359.264 3.159 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000120980643 700663198 /nfs/dbraw/zinc/66/31/98/700663198.db2.gz OTMSQOLSNOLTKV-UHFFFAOYSA-N 1 0 368.572 3.285 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000126997058 700755868 /nfs/dbraw/zinc/75/58/68/700755868.db2.gz MVDQEZWHOBKTOV-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000130806659 700806451 /nfs/dbraw/zinc/80/64/51/700806451.db2.gz XKOHQBLHWOITPO-LSDHHAIUSA-N 1 0 351.922 3.310 20 10 FGCDRO CCCCc1nnc(NC(=O)C[N@H+](CCC)Cc2ccccc2O)s1 ZINC000137009524 704866530 /nfs/dbraw/zinc/86/65/30/704866530.db2.gz LGTYXUNGKLQKNQ-UHFFFAOYSA-N 1 0 362.499 3.437 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000154406436 705033466 /nfs/dbraw/zinc/03/34/66/705033466.db2.gz DREVATGATKXPRF-FXAWDEMLSA-N 1 0 363.571 3.001 20 10 FGCDRO C[NH+](C)CC1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000161161268 705269885 /nfs/dbraw/zinc/26/98/85/705269885.db2.gz CBCGXXMNZZPOPO-UHFFFAOYSA-N 1 0 356.561 3.045 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790669 705361721 /nfs/dbraw/zinc/36/17/21/705361721.db2.gz PWTFOSGTMPMDIU-KRWDZBQOSA-N 1 0 355.356 3.331 20 10 FGCDRO CC[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Br)ccc1O ZINC000174424441 705503720 /nfs/dbraw/zinc/50/37/20/705503720.db2.gz RQZXQQDFIZZCCS-UHFFFAOYSA-N 1 0 363.255 3.276 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000182441000 705842638 /nfs/dbraw/zinc/84/26/38/705842638.db2.gz XJQHAEFYDPCXQC-LLVKDONJSA-N 1 0 359.451 3.240 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1F ZINC000183267889 705885922 /nfs/dbraw/zinc/88/59/22/705885922.db2.gz CUCAWIIVGZZNMP-UHFFFAOYSA-N 1 0 350.478 3.301 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC000186200796 712712017 /nfs/dbraw/zinc/71/20/17/712712017.db2.gz OFDJIJSYTUPFBU-LRDDRELGSA-N 1 0 350.459 3.355 20 10 FGCDRO CCOC(=O)N1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000194841695 713537360 /nfs/dbraw/zinc/53/73/60/713537360.db2.gz DRXLFCABPLFSHM-UHFFFAOYSA-N 1 0 350.459 3.060 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1O ZINC000374543309 713929793 /nfs/dbraw/zinc/92/97/93/713929793.db2.gz KLJWIYGEANVNSL-ZDUSSCGKSA-N 1 0 366.259 3.064 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000802655241 724398562 /nfs/dbraw/zinc/39/85/62/724398562.db2.gz WWMHCRLZTUABIH-LJQANCHMSA-N 1 0 350.459 3.138 20 10 FGCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c(O)c1 ZINC000749926977 722748122 /nfs/dbraw/zinc/74/81/22/722748122.db2.gz SAVCHWDOLOMHFM-QGZVFWFLSA-N 1 0 360.841 3.339 20 10 FGCDRO Cn1ncc(Cl)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000780532076 724476715 /nfs/dbraw/zinc/47/67/15/724476715.db2.gz IQGOZWXTMQPNKY-AWEZNQCLSA-N 1 0 369.296 3.187 20 10 FGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c(O)c1 ZINC000725849888 722424718 /nfs/dbraw/zinc/42/47/18/722424718.db2.gz ZOIUBXVPQFHLDJ-ZDUSSCGKSA-N 1 0 364.467 3.013 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000725849665 722424832 /nfs/dbraw/zinc/42/48/32/722424832.db2.gz TZAUWWVMNKUENG-ZDUSSCGKSA-N 1 0 364.467 3.013 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000728945462 722455982 /nfs/dbraw/zinc/45/59/82/722455982.db2.gz USCKQLFYIOHUOR-MLGOLLRUSA-N 1 0 363.483 3.125 20 10 FGCDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1O2 ZINC000732267445 722483183 /nfs/dbraw/zinc/48/31/83/722483183.db2.gz FNHLPCWLKYWNQQ-HNNXBMFYSA-N 1 0 358.463 3.172 20 10 FGCDRO CCC(CC)[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCOCC1 ZINC000733324318 722495756 /nfs/dbraw/zinc/49/57/56/722495756.db2.gz PEZYQGYHSKGVTE-FQEVSTJZSA-N 1 0 351.510 3.118 20 10 FGCDRO C[C@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(F)(F)F ZINC000753569420 722904889 /nfs/dbraw/zinc/90/48/89/722904889.db2.gz DTAAOCRBLOAVAZ-KRWDZBQOSA-N 1 0 355.356 3.374 20 10 FGCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000756529315 722966268 /nfs/dbraw/zinc/96/62/68/722966268.db2.gz SEECBYZAUMUMJM-JQWIXIFHSA-N 1 0 357.248 3.036 20 10 FGCDRO C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cc(F)ccc1O ZINC000756649439 722968195 /nfs/dbraw/zinc/96/81/95/722968195.db2.gz PMOIVZAJHRQBIY-INIZCTEOSA-N 1 0 350.478 3.465 20 10 FGCDRO C[C@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1CCCC[C@@H]1C ZINC000759560313 723009030 /nfs/dbraw/zinc/00/90/30/723009030.db2.gz FJEPIAYSUOSMTB-UONOGXRCSA-N 1 0 356.561 3.187 20 10 FGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000761524137 723162374 /nfs/dbraw/zinc/16/23/74/723162374.db2.gz VTTVVHAVKZOGIW-UHFFFAOYSA-N 1 0 361.829 3.375 20 10 FGCDRO COCC(=O)Nc1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000790948849 723198262 /nfs/dbraw/zinc/19/82/62/723198262.db2.gz HHNLRRNRECCYPG-UHFFFAOYSA-N 1 0 352.793 3.059 20 10 FGCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000792926736 723383047 /nfs/dbraw/zinc/38/30/47/723383047.db2.gz NUOPMLHPIDWGBP-OAHLLOKOSA-N 1 0 352.862 3.129 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000793605068 723453932 /nfs/dbraw/zinc/45/39/32/723453932.db2.gz NGFKSWPSIVTCEV-IBGZPJMESA-N 1 0 350.434 3.364 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000793610813 723454924 /nfs/dbraw/zinc/45/49/24/723454924.db2.gz YHOPZXWNEQAJOC-CZUORRHYSA-N 1 0 362.436 3.019 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NC(C)(C)C ZINC000765422633 723512138 /nfs/dbraw/zinc/51/21/38/723512138.db2.gz BCZYQHZJUBALCI-UONOGXRCSA-N 1 0 367.921 3.130 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1C ZINC000795654872 723604500 /nfs/dbraw/zinc/60/45/00/723604500.db2.gz FOVGBHVVACVNJQ-CQSZACIVSA-N 1 0 358.404 3.290 20 10 FGCDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000768652414 723664264 /nfs/dbraw/zinc/66/42/64/723664264.db2.gz PPTGJLCZYWMEBW-PXNSSMCTSA-N 1 0 356.853 3.337 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c(O)c1 ZINC000768919333 723672199 /nfs/dbraw/zinc/67/21/99/723672199.db2.gz BNIOQRYRPOBPKG-UHFFFAOYSA-N 1 0 360.479 3.201 20 10 FGCDRO Oc1cc2c(cc1C[N@H+]1CC=C(c3ccc(Cl)nc3)CC1)[C@H](O)CO2 ZINC000773252905 723780183 /nfs/dbraw/zinc/78/01/83/723780183.db2.gz SINIUJIRAQNEMH-QGZVFWFLSA-N 1 0 358.825 3.156 20 10 FGCDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)ccc1O ZINC000775506712 723996856 /nfs/dbraw/zinc/99/68/56/723996856.db2.gz CNNAUWCMBXIVCU-CYBMUJFWSA-N 1 0 355.276 3.241 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1O ZINC000776257573 724124372 /nfs/dbraw/zinc/12/43/72/724124372.db2.gz YKGDJMXKESCZMF-AWEZNQCLSA-N 1 0 356.260 3.238 20 10 FGCDRO CS[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1[NH+]1CCCC1 ZINC000776487193 724150813 /nfs/dbraw/zinc/15/08/13/724150813.db2.gz WETPATWCDKRTEC-IAGOWNOFSA-N 1 0 368.930 3.260 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[NH+]3CCC3)cc2Cl)C1 ZINC000800718541 724223654 /nfs/dbraw/zinc/22/36/54/724223654.db2.gz AQTSXDWXWBQMKV-OAHLLOKOSA-N 1 0 364.921 3.081 20 10 FGCDRO Oc1ccccc1C[NH2+]CCOc1ccc(I)cc1 ZINC000800889312 724243662 /nfs/dbraw/zinc/24/36/62/724243662.db2.gz LVJSDKLDRKHBRQ-UHFFFAOYSA-N 1 0 369.202 3.165 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OCC)cc2O)CC1 ZINC000778197232 724309883 /nfs/dbraw/zinc/30/98/83/724309883.db2.gz COEQBEJSCWARFV-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO CCSc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000778206561 724310844 /nfs/dbraw/zinc/31/08/44/724310844.db2.gz PPHJJKOLAOYVFI-UHFFFAOYSA-N 1 0 361.486 3.459 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1O ZINC000784643249 724869426 /nfs/dbraw/zinc/86/94/26/724869426.db2.gz JAIHHNDAKSXMAD-RYUDHWBXSA-N 1 0 358.276 3.458 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000784643250 724869437 /nfs/dbraw/zinc/86/94/37/724869437.db2.gz JAIHHNDAKSXMAD-VXGBXAGGSA-N 1 0 358.276 3.458 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000785986848 724953396 /nfs/dbraw/zinc/95/33/96/724953396.db2.gz ZGPOLHZQTDJAJV-MRXNPFEDSA-N 1 0 366.889 3.468 20 10 FGCDRO CCN(CCC[NH+](CC)CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000788314632 725057676 /nfs/dbraw/zinc/05/76/76/725057676.db2.gz WYMICOAZYHJRCP-UHFFFAOYSA-N 1 0 352.498 3.155 20 10 FGCDRO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788614769 725075901 /nfs/dbraw/zinc/07/59/01/725075901.db2.gz WQNQBMQRWKQQBE-ZDUSSCGKSA-N 1 0 359.436 3.088 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCCO1 ZINC000788618488 725076572 /nfs/dbraw/zinc/07/65/72/725076572.db2.gz GUSWCXQUDANNMU-CCKFTAQKSA-N 1 0 368.905 3.021 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1C ZINC000808422897 725200420 /nfs/dbraw/zinc/20/04/20/725200420.db2.gz MMDNPBDXBWZOGH-OAHLLOKOSA-N 1 0 358.404 3.432 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000808452318 725201809 /nfs/dbraw/zinc/20/18/09/725201809.db2.gz FQCQOLJUDBZUBK-AWEZNQCLSA-N 1 0 352.203 3.387 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1O ZINC000808680153 725213329 /nfs/dbraw/zinc/21/33/29/725213329.db2.gz CWHLQLLUGKFJMQ-KDOFPFPSSA-N 1 0 370.946 3.213 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1O ZINC000808718747 725214752 /nfs/dbraw/zinc/21/47/52/725214752.db2.gz QVQUGBSMPMNXLB-FZMZJTMJSA-N 1 0 366.811 3.268 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000809713358 725261578 /nfs/dbraw/zinc/26/15/78/725261578.db2.gz NFQDGTRVBQJVQG-ZYHUDNBSSA-N 1 0 354.166 3.354 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000809724329 725262891 /nfs/dbraw/zinc/26/28/91/725262891.db2.gz IBGLVYCREIHZTE-SWLSCSKDSA-N 1 0 369.303 3.222 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000809724328 725262936 /nfs/dbraw/zinc/26/29/36/725262936.db2.gz IBGLVYCREIHZTE-IUODEOHRSA-N 1 0 369.303 3.222 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000809742389 725264505 /nfs/dbraw/zinc/26/45/05/725264505.db2.gz VMSSRSRCOCXSCN-KRWDZBQOSA-N 1 0 355.356 3.374 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1O ZINC000809792593 725268984 /nfs/dbraw/zinc/26/89/84/725268984.db2.gz BGUHGTPEMQGFJR-RHSMWYFYSA-N 1 0 364.239 3.047 20 10 FGCDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2c(O)cccc2Cl)cc1OC ZINC000810174024 725294584 /nfs/dbraw/zinc/29/45/84/725294584.db2.gz NWLRLMLAHUQEFQ-IBGZPJMESA-N 1 0 365.857 3.146 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810227701 725298247 /nfs/dbraw/zinc/29/82/47/725298247.db2.gz ZVNSLAWENQORBV-WAZAZEMKSA-N 1 0 356.388 3.461 20 10 FGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810245009 725299445 /nfs/dbraw/zinc/29/94/45/725299445.db2.gz MYNLNFBXWAUHIP-IAGOWNOFSA-N 1 0 351.510 3.433 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c1 ZINC000811479240 725368370 /nfs/dbraw/zinc/36/83/70/725368370.db2.gz BXSSTVGCHYHAQR-OAHLLOKOSA-N 1 0 352.475 3.430 20 10 FGCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811971571 725386409 /nfs/dbraw/zinc/38/64/09/725386409.db2.gz CFLLWNQFGCOIEA-GFCCVEGCSA-N 1 0 372.307 3.074 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc1 ZINC000813788348 726914397 /nfs/dbraw/zinc/91/43/97/726914397.db2.gz HJHCSCLPNYGAFK-RDJZCZTQSA-N 1 0 351.466 3.190 20 10 FGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(OC)c(OC)c2Cl)c1 ZINC000816637354 727183115 /nfs/dbraw/zinc/18/31/15/727183115.db2.gz AKCYDRZSGPMFOD-UHFFFAOYSA-N 1 0 351.830 3.404 20 10 FGCDRO CCc1nocc1CN(C)Cc1cc(Br)cc(OC)c1O ZINC000816652180 727185092 /nfs/dbraw/zinc/18/50/92/727185092.db2.gz CDUNPHXWPFQNFW-UHFFFAOYSA-N 1 0 355.232 3.346 20 10 FGCDRO CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000817413961 727248965 /nfs/dbraw/zinc/24/89/65/727248965.db2.gz NPMVAVZKYDTFAK-UHFFFAOYSA-N 1 0 351.922 3.038 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)ccc1O ZINC000817585726 727268183 /nfs/dbraw/zinc/26/81/83/727268183.db2.gz HHBNRKMHJLOUQB-LALPHHSUSA-N 1 0 369.303 3.487 20 10 FGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)CCOCC1 ZINC000817588144 727268471 /nfs/dbraw/zinc/26/84/71/727268471.db2.gz MBUHPJRULJYXFR-NWDGAFQWSA-N 1 0 358.276 3.389 20 10 FGCDRO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817966752 727289876 /nfs/dbraw/zinc/28/98/76/727289876.db2.gz VCOHOLYLPDQPMB-DNVCBOLYSA-N 1 0 351.922 3.217 20 10 FGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964341 727331612 /nfs/dbraw/zinc/33/16/12/727331612.db2.gz RYUIKLKYGKSNOG-UTKZUKDTSA-N 1 0 356.535 3.494 20 10 FGCDRO C[N@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)c1ccccc1 ZINC000822517560 729189713 /nfs/dbraw/zinc/18/97/13/729189713.db2.gz ZQFBFSDTHLTGRU-KRWDZBQOSA-N 1 0 350.256 3.494 20 10 FGCDRO C[N@H+](Cc1cc(Br)ccc1O)C[C@@](C)(O)c1ccccc1 ZINC000822517561 729189911 /nfs/dbraw/zinc/18/99/11/729189911.db2.gz ZQFBFSDTHLTGRU-QGZVFWFLSA-N 1 0 350.256 3.494 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000824143581 729321086 /nfs/dbraw/zinc/32/10/86/729321086.db2.gz WDNBIYIZNHVINB-FQEVSTJZSA-N 1 0 360.523 3.262 20 10 FGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1)C(N)=O ZINC000824608631 729350336 /nfs/dbraw/zinc/35/03/36/729350336.db2.gz KTOLIJAPPQVVGM-LBPRGKRZSA-N 1 0 369.303 3.268 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1O ZINC000824845955 729361828 /nfs/dbraw/zinc/36/18/28/729361828.db2.gz PNGCHRXYHZGMJX-CVEARBPZSA-N 1 0 354.288 3.350 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1O ZINC000825041052 729368682 /nfs/dbraw/zinc/36/86/82/729368682.db2.gz ZVCCFWAEVNZYHV-ZDUSSCGKSA-N 1 0 360.292 3.392 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000825124762 729371870 /nfs/dbraw/zinc/37/18/70/729371870.db2.gz XPBUAUSQOVMTDY-NSHDSACASA-N 1 0 366.811 3.370 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000825131037 729372330 /nfs/dbraw/zinc/37/23/30/729372330.db2.gz IJBINRPKTRNMSQ-UHFFFAOYSA-N 1 0 366.211 3.052 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)N1CCCC[C@H]1C ZINC000825191228 729374115 /nfs/dbraw/zinc/37/41/15/729374115.db2.gz ZGQILFNUCRSGTI-VXGBXAGGSA-N 1 0 355.276 3.034 20 10 FGCDRO CCC(CC)(CC)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000825265615 729376312 /nfs/dbraw/zinc/37/63/12/729376312.db2.gz DIPURATTYFKKML-UHFFFAOYSA-N 1 0 352.544 3.227 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1Cl ZINC000825327233 729378811 /nfs/dbraw/zinc/37/88/11/729378811.db2.gz WQNSVFDORIPRQO-UHFFFAOYSA-N 1 0 353.871 3.188 20 10 FGCDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825710454 729392545 /nfs/dbraw/zinc/39/25/45/729392545.db2.gz QCSXPVNOCATTBB-GXFFZTMASA-N 1 0 368.193 3.290 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Br)cs2)cc1 ZINC000832282069 729701882 /nfs/dbraw/zinc/70/18/82/729701882.db2.gz XVPBTRNIHDMKLJ-CYBMUJFWSA-N 1 0 368.300 3.006 20 10 FGCDRO C[C@H]1CCc2sc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2C1 ZINC000832285165 729702340 /nfs/dbraw/zinc/70/23/40/729702340.db2.gz PCGHSENQKDSFMP-GUYCJALGSA-N 1 0 357.523 3.369 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c2c1c(F)ccc2O ZINC000834828369 729837453 /nfs/dbraw/zinc/83/74/53/729837453.db2.gz SILHSHKJPXYLRV-XUJVJEKNSA-N 1 0 361.438 3.240 20 10 FGCDRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(Cl)ccc1O ZINC000834840542 729838462 /nfs/dbraw/zinc/83/84/62/729838462.db2.gz KDAIUUKIBMIYBY-SNVBAGLBSA-N 1 0 371.662 3.321 20 10 FGCDRO CCOC(=O)c1csc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835049624 729853288 /nfs/dbraw/zinc/85/32/88/729853288.db2.gz HCIMMQCQMPDILP-AATRIKPKSA-N 1 0 359.495 3.231 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C)n1 ZINC000840725632 730166410 /nfs/dbraw/zinc/16/64/10/730166410.db2.gz BSSNYIQXFLZAJE-ZIAGYGMSSA-N 1 0 350.413 3.341 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840882066 730187802 /nfs/dbraw/zinc/18/78/02/730187802.db2.gz SIAXHRMMDIIAJN-UHFFFAOYSA-N 1 0 362.857 3.159 20 10 FGCDRO CC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000840889648 730188727 /nfs/dbraw/zinc/18/87/27/730188727.db2.gz TZRDCZFNGMRFHE-CYBMUJFWSA-N 1 0 353.406 3.277 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c(Cl)c1 ZINC000840900624 730189082 /nfs/dbraw/zinc/18/90/82/730189082.db2.gz WAMGOLJSNNJKMT-UHFFFAOYSA-N 1 0 360.767 3.365 20 10 FGCDRO Cc1nsc(N2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840917524 730191052 /nfs/dbraw/zinc/19/10/52/730191052.db2.gz RQFSSVVCPHIFGR-UHFFFAOYSA-N 1 0 352.891 3.226 20 10 FGCDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1ccc(N)cc1 ZINC000841035429 730205082 /nfs/dbraw/zinc/20/50/82/730205082.db2.gz NNWQQPNKTUUALL-UHFFFAOYSA-N 1 0 352.887 3.048 20 10 FGCDRO COc1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000841040017 730205503 /nfs/dbraw/zinc/20/55/03/730205503.db2.gz GSNKLCXKFWARBV-KRWDZBQOSA-N 1 0 363.889 3.213 20 10 FGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000841042475 730205614 /nfs/dbraw/zinc/20/56/14/730205614.db2.gz KECUOPRJBFYVCL-KRWDZBQOSA-N 1 0 353.388 3.441 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(Cl)cc1O ZINC000841743677 730269735 /nfs/dbraw/zinc/26/97/35/730269735.db2.gz BIKUKCBVXIKTFI-LBPRGKRZSA-N 1 0 368.886 3.147 20 10 FGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)ccc1OCCO ZINC000841746248 730270092 /nfs/dbraw/zinc/27/00/92/730270092.db2.gz WSSSROXOOFVJMI-GFCCVEGCSA-N 1 0 351.830 3.276 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1O ZINC000841751946 730270674 /nfs/dbraw/zinc/27/06/74/730270674.db2.gz OZNWIBCINUYIPR-CABZTGNLSA-N 1 0 350.768 3.250 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1F ZINC000841798739 730275477 /nfs/dbraw/zinc/27/54/77/730275477.db2.gz MXPQJIVEMFSILU-RHSMWYFYSA-N 1 0 350.482 3.083 20 10 FGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CO1 ZINC000841856829 730281333 /nfs/dbraw/zinc/28/13/33/730281333.db2.gz BKDGQLYQDQPQQG-CQSZACIVSA-N 1 0 358.404 3.199 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000841997464 730286796 /nfs/dbraw/zinc/28/67/96/730286796.db2.gz XKTMJBRLLJSERN-GFCCVEGCSA-N 1 0 372.307 3.204 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1Br ZINC000843350223 730609464 /nfs/dbraw/zinc/60/94/64/730609464.db2.gz PUKCDGANCZTKQF-UHFFFAOYSA-N 1 0 374.282 3.299 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000848517933 731174188 /nfs/dbraw/zinc/17/41/88/731174188.db2.gz HSJTVKPCSWGYSM-GHMZBOCLSA-N 1 0 354.248 3.099 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000848535815 731177455 /nfs/dbraw/zinc/17/74/55/731177455.db2.gz HBTGCNDBBLOBSR-KRTXAFLBSA-N 1 0 372.181 3.127 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC2CCC2)c1O ZINC000848548170 731179409 /nfs/dbraw/zinc/17/94/09/731179409.db2.gz AWNYUIYNEJWJQM-GWCFXTLKSA-N 1 0 358.276 3.365 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1O ZINC000848558063 731181291 /nfs/dbraw/zinc/18/12/91/731181291.db2.gz MVVVZIKEANPUPE-YIYPIFLZSA-N 1 0 371.319 3.303 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000849349716 731250997 /nfs/dbraw/zinc/25/09/97/731250997.db2.gz FVHSWHNOKRKSMP-CYBMUJFWSA-N 1 0 353.850 3.165 20 10 FGCDRO CCOCc1cc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)ccc1OC ZINC000850376563 731350032 /nfs/dbraw/zinc/35/00/32/731350032.db2.gz JPOGSGOKDBSFEK-UHFFFAOYSA-N 1 0 369.527 3.069 20 10 FGCDRO CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1O)[C@@H]1CCOC1 ZINC000850484714 731361641 /nfs/dbraw/zinc/36/16/41/731361641.db2.gz OXLFGKJYFYUXIP-LALPHHSUSA-N 1 0 358.276 3.165 20 10 FGCDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850519433 731368620 /nfs/dbraw/zinc/36/86/20/731368620.db2.gz LTUJHCUKZMQSBI-LRDDRELGSA-N 1 0 360.832 3.251 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000850520669 731369064 /nfs/dbraw/zinc/36/90/64/731369064.db2.gz FPEVLXAUUCBQEA-PRHODGIISA-N 1 0 366.202 3.238 20 10 FGCDRO CC[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000850559991 731373306 /nfs/dbraw/zinc/37/33/06/731373306.db2.gz BFQDZKRBALABQS-ZBFHGGJFSA-N 1 0 351.878 3.376 20 10 FGCDRO CC[N@H+](CCO[C@@H]1CC1(F)F)Cc1cc(Br)ccc1O ZINC000851791757 731498740 /nfs/dbraw/zinc/49/87/40/731498740.db2.gz CUKHLCDFFPOTBD-CYBMUJFWSA-N 1 0 350.203 3.401 20 10 FGCDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000852335367 731571319 /nfs/dbraw/zinc/57/13/19/731571319.db2.gz GHGJPNPINUUEBS-CABCVRRESA-N 1 0 358.404 3.234 20 10 FGCDRO CCOc1ccc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000853084200 731662218 /nfs/dbraw/zinc/66/22/18/731662218.db2.gz CEFDPOUOEGEBDE-LJQANCHMSA-N 1 0 350.459 3.280 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1[O-] ZINC000853093960 731664368 /nfs/dbraw/zinc/66/43/68/731664368.db2.gz VHAWSDJWJXUGPV-CYBMUJFWSA-N 1 0 353.850 3.165 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1F ZINC000858106233 732181126 /nfs/dbraw/zinc/18/11/26/732181126.db2.gz HDRHFEQBUUJWFS-CQSZACIVSA-N 1 0 352.400 3.111 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cc(C)ccc2O)c1O ZINC000858237038 732195496 /nfs/dbraw/zinc/19/54/96/732195496.db2.gz DCQARHKOJJCIMD-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000858352830 732206546 /nfs/dbraw/zinc/20/65/46/732206546.db2.gz GFNLUUYGPUMHOP-GDBMZVCRSA-N 1 0 358.511 3.004 20 10 FGCDRO C[S@](=O)C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000862302968 732807116 /nfs/dbraw/zinc/80/71/16/732807116.db2.gz GTXQPGRLAOMQRZ-VFNWGFHPSA-N 1 0 368.296 3.364 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2Cl)C1 ZINC000863554853 732976540 /nfs/dbraw/zinc/97/65/40/732976540.db2.gz JMGXQAMNEXCEKU-WMZOPIPTSA-N 1 0 365.949 3.123 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC23CCOCC3)c1O ZINC000865778898 733268306 /nfs/dbraw/zinc/26/83/06/733268306.db2.gz PRJFGJPIOLRSSL-ZDUSSCGKSA-N 1 0 370.287 3.460 20 10 FGCDRO CCc1cnc(CC[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)s1 ZINC000873063857 735716134 /nfs/dbraw/zinc/71/61/34/735716134.db2.gz HFIPSHFDSIOWJO-UHFFFAOYSA-N 1 0 356.495 3.291 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]CCC[C@H]1CCO1 ZINC000876942186 736165649 /nfs/dbraw/zinc/16/56/49/736165649.db2.gz VXOLVKKFNRTTCA-INIZCTEOSA-N 1 0 358.404 3.201 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000877691694 736706528 /nfs/dbraw/zinc/70/65/28/736706528.db2.gz OTIJQPIUBUJUDH-QGZVFWFLSA-N 1 0 350.802 3.260 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000881853165 737390371 /nfs/dbraw/zinc/39/03/71/737390371.db2.gz LVHFESCEWGIPFQ-KRWDZBQOSA-N 1 0 370.324 3.029 20 10 FGCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000883106673 737523908 /nfs/dbraw/zinc/52/39/08/737523908.db2.gz ASLPCLBARDYVHO-UHFFFAOYSA-N 1 0 360.202 3.199 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNCc3nc(C(C)(C)C)cs3)cc2)CC1 ZINC000883283275 737547121 /nfs/dbraw/zinc/54/71/21/737547121.db2.gz YXPKWECGPHWKTO-UHFFFAOYSA-N 1 0 358.555 3.482 20 10 FGCDRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000883305080 737550656 /nfs/dbraw/zinc/55/06/56/737550656.db2.gz NYCHGIXTIDUCRQ-LPHOPBHVSA-N 1 0 350.528 3.295 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H]1CCCOC1 ZINC000883353187 737556811 /nfs/dbraw/zinc/55/68/11/737556811.db2.gz PZDSKIQCJRVQET-FZMZJTMJSA-N 1 0 358.276 3.458 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)(C)C(F)F ZINC000886751631 739291258 /nfs/dbraw/zinc/29/12/58/739291258.db2.gz WVIJGEKYILOYGI-ZDUSSCGKSA-N 1 0 353.457 3.158 20 10 FGCDRO COCCOc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)o1 ZINC000892613151 740022973 /nfs/dbraw/zinc/02/29/73/740022973.db2.gz QSYRTFGJIPJYKT-UHFFFAOYSA-N 1 0 362.495 3.148 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)c1ccc(N2CCOCC2)cc1 ZINC000892731779 740038671 /nfs/dbraw/zinc/03/86/71/740038671.db2.gz YEGRDXVWMLMRPH-LXZKKBNFSA-N 1 0 353.304 3.347 20 10 FGCDRO COc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894514637 742294195 /nfs/dbraw/zinc/29/41/95/742294195.db2.gz MVHDAUJAAXIBKR-OAHLLOKOSA-N 1 0 351.830 3.276 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(O)c1OC ZINC000894632955 742311486 /nfs/dbraw/zinc/31/14/86/742311486.db2.gz RVOSMDHLKGDFNC-UHFFFAOYSA-N 1 0 357.328 3.440 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc4c(c3)CCCO4)SC2=S)CC1 ZINC000899260860 742900685 /nfs/dbraw/zinc/90/06/85/742900685.db2.gz SYDJJCTXPKDNSI-SFQUDFHCSA-N 1 0 374.531 3.307 20 10 FGCDRO CCn1cnc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000902277534 743728077 /nfs/dbraw/zinc/72/80/77/743728077.db2.gz MEWPOYUAPOBSPN-CQSZACIVSA-N 1 0 350.413 3.263 20 10 FGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000922316365 758890980 /nfs/dbraw/zinc/89/09/80/758890980.db2.gz MFEOVSYKNYRZCF-HNNXBMFYSA-N 1 0 359.491 3.308 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CC[C@@H](N(C)C)C(F)(F)F)CC2)cc1 ZINC000922754508 758998759 /nfs/dbraw/zinc/99/87/59/758998759.db2.gz LEFXFMITQVEMNN-QGZVFWFLSA-N 1 0 359.436 3.136 20 10 FGCDRO Cc1nonc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160262 759456473 /nfs/dbraw/zinc/45/64/73/759456473.db2.gz KXIFCLDIXXJUEV-WCQYABFASA-N 1 0 352.385 3.299 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000925851870 759558174 /nfs/dbraw/zinc/55/81/74/759558174.db2.gz SUJCQINBGCNKBL-MNOVXSKESA-N 1 0 373.280 3.035 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000927002716 759874023 /nfs/dbraw/zinc/87/40/23/759874023.db2.gz YFSWUQZALUOTLW-LLVKDONJSA-N 1 0 356.260 3.267 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CC2(n3cc(Br)cn3)CC2)c1O ZINC000927005115 759874203 /nfs/dbraw/zinc/87/42/03/759874203.db2.gz ITFNRFNCHGZDSL-NSHDSACASA-N 1 0 366.259 3.200 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000779023307 724381780 /nfs/dbraw/zinc/38/17/80/724381780.db2.gz FHDYNTRPQOFKKC-GXTWGEPZSA-N 1 0 358.276 3.309 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000779023942 724381791 /nfs/dbraw/zinc/38/17/91/724381791.db2.gz IDEGOPFORSAGOV-OLZOCXBDSA-N 1 0 358.276 3.167 20 10 FGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779049477 724384065 /nfs/dbraw/zinc/38/40/65/724384065.db2.gz HRNPSCXFKQXGFN-BYCMXARLSA-N 1 0 358.276 3.308 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000075825885 493782070 /nfs/dbraw/zinc/78/20/70/493782070.db2.gz PKOPJFKWNLGJNW-UHFFFAOYSA-N 1 0 366.509 3.322 20 10 FGCDRO C[NH2+]CCC1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000568407255 505687142 /nfs/dbraw/zinc/68/71/42/505687142.db2.gz GDVMKCJOHWXPMC-UHFFFAOYSA-N 1 0 371.525 3.366 20 10 FGCDRO c1cnc2nc(NCc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)ccc2n1 ZINC000091675962 494642562 /nfs/dbraw/zinc/64/25/62/494642562.db2.gz LCECUHAGSJRPNP-UHFFFAOYSA-N 1 0 374.492 3.169 20 10 FGCDRO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121329219 494704455 /nfs/dbraw/zinc/70/44/55/494704455.db2.gz SQWVCHDKCRNZOB-UHFFFAOYSA-N 1 0 356.514 3.014 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c1O ZINC000093009377 494807468 /nfs/dbraw/zinc/80/74/68/494807468.db2.gz DLXHOPMAOWLCOG-UHFFFAOYSA-N 1 0 372.465 3.395 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000093134492 494832603 /nfs/dbraw/zinc/83/26/03/494832603.db2.gz NKNDLSXBVWRQBH-SFHVURJKSA-N 1 0 353.514 3.450 20 10 FGCDRO COc1cccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)c1O ZINC000093815593 494924283 /nfs/dbraw/zinc/92/42/83/494924283.db2.gz VDLKGNKPIZCPEX-HNNXBMFYSA-N 1 0 366.255 3.329 20 10 FGCDRO C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccccc1O ZINC000111235494 495052697 /nfs/dbraw/zinc/05/26/97/495052697.db2.gz XGABUXYPBWXGEW-UHFFFAOYSA-N 1 0 356.344 3.008 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1C ZINC000130057983 495335191 /nfs/dbraw/zinc/33/51/91/495335191.db2.gz OFCKUHNVTKOQAV-OWCLPIDISA-N 1 0 353.457 3.329 20 10 FGCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185377489 495554320 /nfs/dbraw/zinc/55/43/20/495554320.db2.gz VOEPSYOYACHPEG-LLVKDONJSA-N 1 0 355.276 3.064 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182449085 495568845 /nfs/dbraw/zinc/56/88/45/495568845.db2.gz YFYGDXMYPFXISK-UONOGXRCSA-N 1 0 350.459 3.308 20 10 FGCDRO COc1ccc(O)c(CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000185636482 495656648 /nfs/dbraw/zinc/65/66/48/495656648.db2.gz RSFGRMOZKBXNTN-UHFFFAOYSA-N 1 0 357.454 3.212 20 10 FGCDRO CCn1nccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000160035401 495868384 /nfs/dbraw/zinc/86/83/84/495868384.db2.gz KRGQOBOQTCROLR-UHFFFAOYSA-N 1 0 368.403 3.048 20 10 FGCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)c(OC)cc1O ZINC000160128515 495891414 /nfs/dbraw/zinc/89/14/14/495891414.db2.gz HQEDEXYMICZPAL-UHFFFAOYSA-N 1 0 372.465 3.133 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC000184286834 496321050 /nfs/dbraw/zinc/32/10/50/496321050.db2.gz OQIDNWUGTIBAMD-UHFFFAOYSA-N 1 0 372.400 3.128 20 10 FGCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184679683 496489711 /nfs/dbraw/zinc/48/97/11/496489711.db2.gz YOGSEKVFODZZNH-UHFFFAOYSA-N 1 0 354.878 3.183 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c(O)c1 ZINC000185083019 496651055 /nfs/dbraw/zinc/65/10/55/496651055.db2.gz MFNDCTGBPJULEK-MRXNPFEDSA-N 1 0 368.477 3.251 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000185109505 496663981 /nfs/dbraw/zinc/66/39/81/496663981.db2.gz ISPIEHYJDPWUSB-HUUCEWRRSA-N 1 0 362.495 3.363 20 10 FGCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000273349255 496781129 /nfs/dbraw/zinc/78/11/29/496781129.db2.gz CEDLNZUBLWZKLS-QGZVFWFLSA-N 1 0 358.530 3.159 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c(O)c1C ZINC000273363578 496784555 /nfs/dbraw/zinc/78/45/55/496784555.db2.gz DJKZPEBFCGISTP-DOTOQJQBSA-N 1 0 355.482 3.480 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)cc1OC ZINC000191780044 496887767 /nfs/dbraw/zinc/88/77/67/496887767.db2.gz LCHVJLSWYVSJFP-BTYIYWSLSA-N 1 0 359.466 3.129 20 10 FGCDRO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)Cc1ccccc1O ZINC000264753258 496977531 /nfs/dbraw/zinc/97/75/31/496977531.db2.gz WXMOOTWUGFITIQ-HNNXBMFYSA-N 1 0 351.450 3.053 20 10 FGCDRO COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000278430994 497112010 /nfs/dbraw/zinc/11/20/10/497112010.db2.gz UWQVSBCALNSACF-WFXMLNOXSA-N 1 0 373.493 3.368 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1F ZINC000274786641 497165557 /nfs/dbraw/zinc/16/55/57/497165557.db2.gz LNXSIWDJTOUWGW-UHFFFAOYSA-N 1 0 372.488 3.193 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000237013390 497180067 /nfs/dbraw/zinc/18/00/67/497180067.db2.gz CMSVZDDLKSDJIQ-HNNXBMFYSA-N 1 0 362.495 3.274 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1O ZINC000274912357 497197809 /nfs/dbraw/zinc/19/78/09/497197809.db2.gz NNUUJAGPIBMIBX-IBGZPJMESA-N 1 0 354.450 3.106 20 10 FGCDRO COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC000266191299 497277440 /nfs/dbraw/zinc/27/74/40/497277440.db2.gz YRWKYZBESYEWGQ-MQVJKMGUSA-N 1 0 362.470 3.421 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754749 497439215 /nfs/dbraw/zinc/43/92/15/497439215.db2.gz CPBOMBPOULOZPQ-CZUORRHYSA-N 1 0 350.459 3.136 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1O ZINC000267298850 497519380 /nfs/dbraw/zinc/51/93/80/497519380.db2.gz FFYCUUUYXPLCGF-VQIMIIECSA-N 1 0 353.466 3.102 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000245749818 497528253 /nfs/dbraw/zinc/52/82/53/497528253.db2.gz NNFINZFPVUGZKE-SMDDNHRTSA-N 1 0 356.260 3.164 20 10 FGCDRO COc1cccc(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000263703808 497809438 /nfs/dbraw/zinc/80/94/38/497809438.db2.gz RRUQADHTQWBSTN-UHFFFAOYSA-N 1 0 350.459 3.138 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000296060670 497906397 /nfs/dbraw/zinc/90/63/97/497906397.db2.gz ROSUGOGLJOLMTL-AUUYWEPGSA-N 1 0 366.461 3.388 20 10 FGCDRO COc1ccc([C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)N2CCOCC2)cc1 ZINC000296129364 497930524 /nfs/dbraw/zinc/93/05/24/497930524.db2.gz VRKHJCQQYGUJLR-VQTJNVASSA-N 1 0 368.477 3.051 20 10 FGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000280964158 497967983 /nfs/dbraw/zinc/96/79/83/497967983.db2.gz KUKXOGKBBPGQEZ-INIZCTEOSA-N 1 0 350.528 3.295 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000280968348 497969835 /nfs/dbraw/zinc/96/98/35/497969835.db2.gz IGFGBFQAZXZZHZ-YBTHPKLGSA-N 1 0 360.317 3.415 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000281294560 498092552 /nfs/dbraw/zinc/09/25/52/498092552.db2.gz YHGWVFHHKSSTNY-YPMHNXCESA-N 1 0 355.276 3.064 20 10 FGCDRO COCC[N@H+](Cc1cccnc1)Cc1cc(Br)ccc1O ZINC000289468967 498157259 /nfs/dbraw/zinc/15/72/59/498157259.db2.gz PENDEBBBPPJVHR-UHFFFAOYSA-N 1 0 351.244 3.198 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc2ccccc2c1O ZINC000360167314 498251857 /nfs/dbraw/zinc/25/18/57/498251857.db2.gz ZQGQSZCUOPAAPU-AUUYWEPGSA-N 1 0 351.450 3.462 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000296999286 498282657 /nfs/dbraw/zinc/28/26/57/498282657.db2.gz WDVZUWBIHMATHR-UHFFFAOYSA-N 1 0 364.536 3.051 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289857889 498325258 /nfs/dbraw/zinc/32/52/58/498325258.db2.gz VIEPGHQXWQQLCP-JQWIXIFHSA-N 1 0 353.768 3.047 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000282031766 498363913 /nfs/dbraw/zinc/36/39/13/498363913.db2.gz FLZUBBWZKOPUSE-NRFANRHFSA-N 1 0 358.526 3.334 20 10 FGCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000361364595 498380219 /nfs/dbraw/zinc/38/02/19/498380219.db2.gz BUAKSULRNIBAMS-SXLOBPIMSA-N 1 0 364.493 3.045 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000293746297 498475491 /nfs/dbraw/zinc/47/54/91/498475491.db2.gz NUTDNQYIHYCUCW-UHFFFAOYSA-N 1 0 352.544 3.226 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c(O)c1 ZINC000293756170 498479248 /nfs/dbraw/zinc/47/92/48/498479248.db2.gz ONVYXNVEFWSWBT-INIZCTEOSA-N 1 0 356.466 3.327 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1OC ZINC000362241530 498479770 /nfs/dbraw/zinc/47/97/70/498479770.db2.gz XXDOAKHNGJTWRD-UHFFFAOYSA-N 1 0 353.422 3.100 20 10 FGCDRO Cc1cnn(C)c1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000286727376 498490288 /nfs/dbraw/zinc/49/02/88/498490288.db2.gz XPDSKHQLHJZORT-CQSZACIVSA-N 1 0 350.413 3.089 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1OC ZINC000290279694 498493757 /nfs/dbraw/zinc/49/37/57/498493757.db2.gz YXVVKMFOUGISMX-HNNXBMFYSA-N 1 0 351.830 3.276 20 10 FGCDRO OC[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)[C@H]1CCOC1 ZINC000293979638 498550678 /nfs/dbraw/zinc/55/06/78/498550678.db2.gz BFVIBBONWFFMIT-IRFCIJBXSA-N 1 0 355.478 3.301 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000362948715 498587636 /nfs/dbraw/zinc/58/76/36/498587636.db2.gz UVOBZUXIPUQENX-IBGZPJMESA-N 1 0 369.509 3.215 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000362957902 498589441 /nfs/dbraw/zinc/58/94/41/498589441.db2.gz KWMBCUNEXGOIRR-MOPGFXCFSA-N 1 0 369.509 3.261 20 10 FGCDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000366070803 498761290 /nfs/dbraw/zinc/76/12/90/498761290.db2.gz ARSUSZAICRMHRL-ROUUACIJSA-N 1 0 372.488 3.212 20 10 FGCDRO COC1CCN(c2ccc(C[NH2+][C@H](CC(N)=O)C3CCCCC3)cc2)CC1 ZINC000294991323 498873738 /nfs/dbraw/zinc/87/37/38/498873738.db2.gz NBJQUIXHVFDTHM-OAQYLSRUSA-N 1 0 373.541 3.216 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCSCC1 ZINC000363709673 498953783 /nfs/dbraw/zinc/95/37/83/498953783.db2.gz MOGHRMMEKQGFDT-MRXNPFEDSA-N 1 0 368.930 3.269 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCSCC1 ZINC000363709672 498954213 /nfs/dbraw/zinc/95/42/13/498954213.db2.gz MOGHRMMEKQGFDT-INIZCTEOSA-N 1 0 368.930 3.269 20 10 FGCDRO Cn1cc(C(=O)N2CC3(CCCC3)c3ccccc32)c([C@H]2CCC[NH2+]C2)n1 ZINC000333299250 498972400 /nfs/dbraw/zinc/97/24/00/498972400.db2.gz PULVVPIURRGVOR-INIZCTEOSA-N 1 0 364.493 3.359 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363750110 498973727 /nfs/dbraw/zinc/97/37/27/498973727.db2.gz MFZWNFJGROLKLS-QFBILLFUSA-N 1 0 352.482 3.103 20 10 FGCDRO CCOc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)ccc1O ZINC000299161404 498983097 /nfs/dbraw/zinc/98/30/97/498983097.db2.gz LBZHUTISBBMBEH-UHFFFAOYSA-N 1 0 374.456 3.181 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000283903514 499009536 /nfs/dbraw/zinc/00/95/36/499009536.db2.gz DBCZDYUZVBHPGV-HNNXBMFYSA-N 1 0 362.495 3.110 20 10 FGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C2 ZINC000363866015 499030856 /nfs/dbraw/zinc/03/08/56/499030856.db2.gz OAQNPSVFAISBFI-HZMBPMFUSA-N 1 0 362.271 3.461 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000366699454 499038045 /nfs/dbraw/zinc/03/80/45/499038045.db2.gz VPSXCPQCXCESSQ-UZUQRXQVSA-N 1 0 365.521 3.485 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1OC ZINC000363955135 499066269 /nfs/dbraw/zinc/06/62/69/499066269.db2.gz ZAPOKOWRPJFWLP-UHFFFAOYSA-N 1 0 359.426 3.049 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c(C)n1-c1ccccn1 ZINC000366837727 499089530 /nfs/dbraw/zinc/08/95/30/499089530.db2.gz APHVROYBXXTIFR-IEBWSBKVSA-N 1 0 352.482 3.093 20 10 FGCDRO Cc1cccc(NC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000367467246 499202483 /nfs/dbraw/zinc/20/24/83/499202483.db2.gz LCDJUJCLUVJBTM-UHFFFAOYSA-N 1 0 366.509 3.303 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1 ZINC000371870241 499373802 /nfs/dbraw/zinc/37/38/02/499373802.db2.gz OOJXTZMKWPHTLV-MRXNPFEDSA-N 1 0 354.450 3.163 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c(O)c1 ZINC000369424799 499402321 /nfs/dbraw/zinc/40/23/21/499402321.db2.gz IPCISXGHTLGNSA-MRXNPFEDSA-N 1 0 371.481 3.497 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1O ZINC000372234430 499411382 /nfs/dbraw/zinc/41/13/82/499411382.db2.gz YGCVFGVCSSCTEN-LJQANCHMSA-N 1 0 354.450 3.443 20 10 FGCDRO COc1cccc(C[NH2+]C[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1O ZINC000372303117 499418381 /nfs/dbraw/zinc/41/83/81/499418381.db2.gz WDRWTSWHCFWJQM-CYBMUJFWSA-N 1 0 360.841 3.197 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000372398633 499428877 /nfs/dbraw/zinc/42/88/77/499428877.db2.gz RHYKGISQSYENPQ-UHFFFAOYSA-N 1 0 360.498 3.406 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000375305756 499505265 /nfs/dbraw/zinc/50/52/65/499505265.db2.gz JBRQSMQIXHWERI-HZPDHXFCSA-N 1 0 360.498 3.432 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1OC ZINC000377706094 499723202 /nfs/dbraw/zinc/72/32/02/499723202.db2.gz UMVFGTLLWWORLY-MSOLQXFVSA-N 1 0 357.450 3.007 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418100195 500229468 /nfs/dbraw/zinc/22/94/68/500229468.db2.gz OZTVXNCLLLJWJO-QGZVFWFLSA-N 1 0 354.498 3.018 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C)CCCOC2)C1 ZINC000444338328 500836391 /nfs/dbraw/zinc/83/63/91/500836391.db2.gz FMSYDKSVDYWBIE-QFIPXVFZSA-N 1 0 369.509 3.093 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCOCC2)C1 ZINC000436028049 501059122 /nfs/dbraw/zinc/05/91/22/501059122.db2.gz TUUAVAHQBZTCFG-QGZVFWFLSA-N 1 0 369.509 3.093 20 10 FGCDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000486106916 502047904 /nfs/dbraw/zinc/04/79/04/502047904.db2.gz PNRMAUBBEQQRBQ-GOSISDBHSA-N 1 0 371.525 3.366 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000471585360 502074818 /nfs/dbraw/zinc/07/48/18/502074818.db2.gz KNASGVZEDYNODD-JKSUJKDBSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000472279323 502297289 /nfs/dbraw/zinc/29/72/89/502297289.db2.gz NVIVOSZGAVDXJZ-GOSISDBHSA-N 1 0 368.525 3.360 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)ccc21 ZINC000467030158 502763741 /nfs/dbraw/zinc/76/37/41/502763741.db2.gz DFGFQUNFQVCQMN-JLTOFOAXSA-N 1 0 369.509 3.117 20 10 FGCDRO COCC(C)(C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000517192627 503667418 /nfs/dbraw/zinc/66/74/18/503667418.db2.gz PZMWOAQZBHMFRI-UHFFFAOYSA-N 1 0 371.525 3.197 20 10 FGCDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(-c2cnn(C)c2)c1 ZINC000564251300 505363706 /nfs/dbraw/zinc/36/37/06/505363706.db2.gz ILRGJZMEXFCPGB-UHFFFAOYSA-N 1 0 365.437 3.269 20 10 FGCDRO COCC(C)(C)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000561647251 505398714 /nfs/dbraw/zinc/39/87/14/505398714.db2.gz RKTRXEJXHPYQFS-UHFFFAOYSA-N 1 0 371.525 3.291 20 10 FGCDRO C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927697 604764129 /nfs/dbraw/zinc/76/41/29/604764129.db2.gz BNIQBXMZLBNFDT-DNVCBOLYSA-N 1 0 354.450 3.160 20 10 FGCDRO CN(C)c1ccc(C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)cc1 ZINC000825878696 608520821 /nfs/dbraw/zinc/52/08/21/608520821.db2.gz BMLXCWTZPBAOBX-UHFFFAOYSA-N 1 0 354.483 3.159 20 10 FGCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(OCC)cc1O ZINC000825318990 608547464 /nfs/dbraw/zinc/54/74/64/608547464.db2.gz VOCFQJOYEYAJLZ-UHFFFAOYSA-N 1 0 367.453 3.383 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000080729338 700321989 /nfs/dbraw/zinc/32/19/89/700321989.db2.gz UFWYCQWPYBAPCO-OAHLLOKOSA-N 1 0 351.491 3.270 20 10 FGCDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccccc1O ZINC000109773329 700536389 /nfs/dbraw/zinc/53/63/89/700536389.db2.gz NQTMIKGKBYDZFV-LLVKDONJSA-N 1 0 363.801 3.413 20 10 FGCDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000121582446 700675972 /nfs/dbraw/zinc/67/59/72/700675972.db2.gz SLDYFQQUCNVVSX-UHFFFAOYSA-N 1 0 364.287 3.196 20 10 FGCDRO Oc1ccc(Cl)cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000125646522 700737826 /nfs/dbraw/zinc/73/78/26/700737826.db2.gz AUKHKENGFKMKDW-UHFFFAOYSA-N 1 0 360.870 3.373 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000129820978 700792316 /nfs/dbraw/zinc/79/23/16/700792316.db2.gz NUNBAGRYPOSYTE-MAUKXSAKSA-N 1 0 350.478 3.254 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000151631304 704930976 /nfs/dbraw/zinc/93/09/76/704930976.db2.gz PGPXDRWCTOVHEH-OAHLLOKOSA-N 1 0 364.540 3.227 20 10 FGCDRO CC[N@H+](CC(=O)NC1CCCC1)Cc1cc(Br)ccc1O ZINC000174425036 705503914 /nfs/dbraw/zinc/50/39/14/705503914.db2.gz PSTJNWKANRAQTH-UHFFFAOYSA-N 1 0 355.276 3.035 20 10 FGCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179639148 705708206 /nfs/dbraw/zinc/70/82/06/705708206.db2.gz KNPRDHVYWGTYPG-IBGZPJMESA-N 1 0 350.528 3.076 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000179883067 705719757 /nfs/dbraw/zinc/71/97/57/705719757.db2.gz CJGULJDAEMFEMW-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(C)cc2)c1 ZINC000182359428 705837192 /nfs/dbraw/zinc/83/71/92/705837192.db2.gz YSMXKRGIJPSCAL-OAHLLOKOSA-N 1 0 363.479 3.224 20 10 FGCDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)N1CCOCC1 ZINC000184974318 712679944 /nfs/dbraw/zinc/67/99/44/712679944.db2.gz SJIWVYHFJXFDTH-BEFAXECRSA-N 1 0 350.503 3.188 20 10 FGCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000185201483 712688165 /nfs/dbraw/zinc/68/81/65/712688165.db2.gz XUZXDHXKENLAOM-RTBURBONSA-N 1 0 350.478 3.344 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1O ZINC000185855920 712703581 /nfs/dbraw/zinc/70/35/81/712703581.db2.gz HKCUOAINOSWBNT-CMPLNLGQSA-N 1 0 350.340 3.266 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000187572828 712746920 /nfs/dbraw/zinc/74/69/20/712746920.db2.gz JLCGLQAKEKCDNL-UHFFFAOYSA-N 1 0 353.388 3.421 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCc2ccccc2OC(F)F)cc1OC ZINC000188991802 712783269 /nfs/dbraw/zinc/78/32/69/712783269.db2.gz RPFKVTUAVXWVBS-UHFFFAOYSA-N 1 0 353.365 3.343 20 10 FGCDRO C[C@H](CCn1cccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779339699 724408402 /nfs/dbraw/zinc/40/84/02/724408402.db2.gz FMOLYDYXNKBKOK-QAPCUYQASA-N 1 0 362.905 3.275 20 10 FGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000769381130 723683804 /nfs/dbraw/zinc/68/38/04/723683804.db2.gz MAEBLNFXDZFGFK-CMPLNLGQSA-N 1 0 354.166 3.042 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)c2ccsc2)c1O ZINC000769933354 723701396 /nfs/dbraw/zinc/70/13/96/723701396.db2.gz KNGYNLLHYSVDQH-GFCCVEGCSA-N 1 0 358.257 3.048 20 10 FGCDRO Cc1cc(Br)c(O)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000781554227 724573842 /nfs/dbraw/zinc/57/38/42/724573842.db2.gz IWPZCIQDENNTHS-CQSZACIVSA-N 1 0 372.226 3.310 20 10 FGCDRO CCC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1O ZINC000727830909 722447871 /nfs/dbraw/zinc/44/78/71/722447871.db2.gz VDPCPAHUTVAJAY-HNNXBMFYSA-N 1 0 358.404 3.405 20 10 FGCDRO O=[S@@](CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203214 722482329 /nfs/dbraw/zinc/48/23/29/722482329.db2.gz PZPBUWBOCDPSGS-CJAUYULYSA-N 1 0 359.491 3.181 20 10 FGCDRO CC(C)(C)[S@](=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084997 722512510 /nfs/dbraw/zinc/51/25/10/722512510.db2.gz GNYRTNFAGIZWSV-RUZDIDTESA-N 1 0 367.515 3.222 20 10 FGCDRO C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000740866797 722538740 /nfs/dbraw/zinc/53/87/40/722538740.db2.gz HHLCRNMVPATDSG-ZDUSSCGKSA-N 1 0 359.447 3.158 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000742392593 722556747 /nfs/dbraw/zinc/55/67/47/722556747.db2.gz RMSDHMJONXMSBQ-HDMKZQKVSA-N 1 0 356.853 3.292 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000742393551 722556813 /nfs/dbraw/zinc/55/68/13/722556813.db2.gz YLPOZXUGVGLNDF-KSZLIROESA-N 1 0 356.853 3.292 20 10 FGCDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749366965 722726224 /nfs/dbraw/zinc/72/62/24/722726224.db2.gz XRXACWHSUIDIQJ-MRXNPFEDSA-N 1 0 351.560 3.175 20 10 FGCDRO CCN(CC[NH2+]Cc1cc(Cl)cc(OC)c1O)CCC(F)(F)F ZINC000756128657 722961120 /nfs/dbraw/zinc/96/11/20/722961120.db2.gz LGMSSXYIJKPGRN-UHFFFAOYSA-N 1 0 354.800 3.418 20 10 FGCDRO C[C@H]([NH2+]CCCNc1ncccn1)c1cc(Br)ccc1O ZINC000756641035 722968100 /nfs/dbraw/zinc/96/81/00/722968100.db2.gz FKMPKBJJXZOHQA-NSHDSACASA-N 1 0 351.248 3.098 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000790734398 723171408 /nfs/dbraw/zinc/17/14/08/723171408.db2.gz CQOAXGYLGXHMHQ-GXTWGEPZSA-N 1 0 351.393 3.181 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000791005718 723204612 /nfs/dbraw/zinc/20/46/12/723204612.db2.gz XHOJJLBHHYYDCZ-CQSZACIVSA-N 1 0 351.393 3.010 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000762481047 723247093 /nfs/dbraw/zinc/24/70/93/723247093.db2.gz OFZYOEKGDDMIFI-DZGCQCFKSA-N 1 0 350.459 3.136 20 10 FGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@H](C)C1 ZINC000792193464 723320280 /nfs/dbraw/zinc/32/02/80/723320280.db2.gz WUQMMHPAJMHFEV-FUHWJXTLSA-N 1 0 350.478 3.299 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)N2CCCCC2)c(C(F)(F)F)c1 ZINC000792922297 723382927 /nfs/dbraw/zinc/38/29/27/723382927.db2.gz VNJBJSKQGBBZHR-UHFFFAOYSA-N 1 0 357.420 3.264 20 10 FGCDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792952014 723386092 /nfs/dbraw/zinc/38/60/92/723386092.db2.gz WSHLZVOFXRKJKZ-CYBMUJFWSA-N 1 0 359.392 3.092 20 10 FGCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793083334 723398325 /nfs/dbraw/zinc/39/83/25/723398325.db2.gz AKXMRBZLQZOXBI-ZDUSSCGKSA-N 1 0 359.392 3.092 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794831352 723548289 /nfs/dbraw/zinc/54/82/89/723548289.db2.gz CXRVLWVGNUYWDY-ZBFHGGJFSA-N 1 0 352.906 3.378 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000796032113 723618245 /nfs/dbraw/zinc/61/82/45/723618245.db2.gz NWCBSXYLYMOXSY-SUMWQHHRSA-N 1 0 370.287 3.233 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC000769331637 723682594 /nfs/dbraw/zinc/68/25/94/723682594.db2.gz VBJVBLKGUKLKFE-OAHLLOKOSA-N 1 0 369.303 3.224 20 10 FGCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769548192 723689515 /nfs/dbraw/zinc/68/95/15/723689515.db2.gz HVTCYFDJRDCCFR-QUCCMNQESA-N 1 0 350.478 3.298 20 10 FGCDRO CC(C)CO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771060782 723726966 /nfs/dbraw/zinc/72/69/66/723726966.db2.gz YVCMMNUSCCRTAN-YOEHRIQHSA-N 1 0 368.905 3.187 20 10 FGCDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773108288 723776694 /nfs/dbraw/zinc/77/66/94/723776694.db2.gz VWCAGGMEZJEQHO-NWDGAFQWSA-N 1 0 366.811 3.141 20 10 FGCDRO CCc1nsc(N2CCC[N@@H+](Cc3ccc(N(C)CC)cc3)CC2)n1 ZINC000773757406 723820684 /nfs/dbraw/zinc/82/06/84/723820684.db2.gz YZOQDTFEIIOWDI-UHFFFAOYSA-N 1 0 359.543 3.269 20 10 FGCDRO C[C@H]([NH2+]CC(=O)Nc1cccc2nsnc21)c1ccc(N(C)C)cc1 ZINC000775835707 724069444 /nfs/dbraw/zinc/06/94/44/724069444.db2.gz IGHSPPJETPSLFZ-LBPRGKRZSA-N 1 0 355.467 3.047 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000776865845 724190505 /nfs/dbraw/zinc/19/05/05/724190505.db2.gz VIDGYAYXBSMXDB-KFWWJZLASA-N 1 0 350.459 3.308 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)c1O ZINC000779002934 724380279 /nfs/dbraw/zinc/38/02/79/724380279.db2.gz KBXDBMHVOQHUAZ-NHYWBVRUSA-N 1 0 363.255 3.340 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000784682797 724872105 /nfs/dbraw/zinc/87/21/05/724872105.db2.gz MFZRXEMBBDRMAT-JKSUJKDBSA-N 1 0 356.260 3.211 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000806134557 725117201 /nfs/dbraw/zinc/11/72/01/725117201.db2.gz ZTYIVYAQOSVZGD-LXZKKBNFSA-N 1 0 358.404 3.284 20 10 FGCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000806663859 725139957 /nfs/dbraw/zinc/13/99/57/725139957.db2.gz WJKLRCPCRBPTKB-YOEHRIQHSA-N 1 0 367.534 3.334 20 10 FGCDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000808421789 725200391 /nfs/dbraw/zinc/20/03/91/725200391.db2.gz AUVHVZZXOITPJW-OAHLLOKOSA-N 1 0 356.388 3.045 20 10 FGCDRO COC(=O)N1CCC(C[NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC000809709452 725261037 /nfs/dbraw/zinc/26/10/37/725261037.db2.gz DZOCAUWTQUAURV-UHFFFAOYSA-N 1 0 371.275 3.031 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)CC)c(O)c1 ZINC000809722597 725262568 /nfs/dbraw/zinc/26/25/68/725262568.db2.gz CWMPMJKLVYDNDA-MRXNPFEDSA-N 1 0 350.459 3.234 20 10 FGCDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809772276 725267495 /nfs/dbraw/zinc/26/74/95/725267495.db2.gz SMNVIIWGOPEYKO-BBRMVZONSA-N 1 0 351.466 3.379 20 10 FGCDRO OC[C@]1(C[NH2+]Cc2cc(Br)ccc2O)C[C@H]1c1ccccc1 ZINC000810165568 725294115 /nfs/dbraw/zinc/29/41/15/725294115.db2.gz WMTUCHXHZZJSJK-FUHWJXTLSA-N 1 0 362.267 3.411 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810235708 725298728 /nfs/dbraw/zinc/29/87/28/725298728.db2.gz UIHSKTWTBNHSEM-JSGCOSHPSA-N 1 0 365.417 3.419 20 10 FGCDRO CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810239363 725299086 /nfs/dbraw/zinc/29/90/86/725299086.db2.gz ZMJWTXWWBBFYJG-HNNXBMFYSA-N 1 0 358.404 3.317 20 10 FGCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811972738 725386333 /nfs/dbraw/zinc/38/63/33/725386333.db2.gz RWQUHZKTRRUXKF-GFCCVEGCSA-N 1 0 372.307 3.074 20 10 FGCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811976468 725386361 /nfs/dbraw/zinc/38/63/61/725386361.db2.gz CFLLWNQFGCOIEA-LBPRGKRZSA-N 1 0 372.307 3.074 20 10 FGCDRO CCc1nc(C)c(C[NH2+]Cc2cc(Br)cc(OC)c2O)o1 ZINC000813795358 726915104 /nfs/dbraw/zinc/91/51/04/726915104.db2.gz KMQFCVBDIIZOOE-UHFFFAOYSA-N 1 0 355.232 3.312 20 10 FGCDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816555095 727174951 /nfs/dbraw/zinc/17/49/51/727174951.db2.gz TWWWQMIFPNBPIG-UHFFFAOYSA-N 1 0 355.459 3.380 20 10 FGCDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1=O ZINC000817589238 727268967 /nfs/dbraw/zinc/26/89/67/727268967.db2.gz MIAVHCGKZVVADA-VXGBXAGGSA-N 1 0 355.276 3.064 20 10 FGCDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064011 727343798 /nfs/dbraw/zinc/34/37/98/727343798.db2.gz SDKSPCIPFISUHP-OAHLLOKOSA-N 1 0 352.525 3.272 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC[C@H](O)C[N@H+](C)C3CC3)cc2Cl)C1 ZINC000819289607 727364674 /nfs/dbraw/zinc/36/46/74/727364674.db2.gz FTLFKGZOGVJGCV-YJBOKZPZSA-N 1 0 365.949 3.121 20 10 FGCDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404089 729276602 /nfs/dbraw/zinc/27/66/02/729276602.db2.gz LNLCGLMERSORKP-DOTOQJQBSA-N 1 0 357.523 3.470 20 10 FGCDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404090 729276626 /nfs/dbraw/zinc/27/66/26/729276626.db2.gz LNLCGLMERSORKP-NVXWUHKLSA-N 1 0 357.523 3.470 20 10 FGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 ZINC000823671231 729297728 /nfs/dbraw/zinc/29/77/28/729297728.db2.gz KHWAKTHVXZWTFV-JOCBIADPSA-N 1 0 350.478 3.487 20 10 FGCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000823851728 729309427 /nfs/dbraw/zinc/30/94/27/729309427.db2.gz XZWLVNVJLMMIQN-FQEVSTJZSA-N 1 0 364.555 3.370 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCCSc2nccs2)C1 ZINC000823938047 729313271 /nfs/dbraw/zinc/31/32/71/729313271.db2.gz QNAKGLJFJWGKMK-CXAGYDPISA-N 1 0 369.556 3.472 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC000824321341 729330703 /nfs/dbraw/zinc/33/07/03/729330703.db2.gz QIWQYASTKNRHPI-HNNXBMFYSA-N 1 0 352.475 3.287 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(C(F)(F)F)cc1O ZINC000824565416 729347856 /nfs/dbraw/zinc/34/78/56/729347856.db2.gz UISVHVXZKQRTPG-GOEBONIOSA-N 1 0 360.420 3.299 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1O ZINC000824846115 729361761 /nfs/dbraw/zinc/36/17/61/729361761.db2.gz PWZBXNOSSVWWDS-ZBFHGGJFSA-N 1 0 370.287 3.050 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1Cl ZINC000825058982 729369254 /nfs/dbraw/zinc/36/92/54/729369254.db2.gz QEWXWTBMXCMBSY-UHFFFAOYSA-N 1 0 360.885 3.476 20 10 FGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825326435 729378785 /nfs/dbraw/zinc/37/87/85/729378785.db2.gz PXSQIZUFUPUAGO-JZKQVHKSSA-N 1 0 360.317 3.324 20 10 FGCDRO COc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825773580 729394737 /nfs/dbraw/zinc/39/47/37/729394737.db2.gz KNJNFXYXBPEVJZ-INIZCTEOSA-N 1 0 369.527 3.097 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826096789 729405085 /nfs/dbraw/zinc/40/50/85/729405085.db2.gz DDPHCQKDAQCFAP-MEDUHNTESA-N 1 0 361.404 3.443 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)s3)cc2F)CC1 ZINC000826718888 729413112 /nfs/dbraw/zinc/41/31/12/729413112.db2.gz AYFNFWRVTSELDO-UHFFFAOYSA-N 1 0 365.449 3.098 20 10 FGCDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000827329293 729428773 /nfs/dbraw/zinc/42/87/73/729428773.db2.gz XQGPXNYNQNACLK-CJNGLKHVSA-N 1 0 364.287 3.389 20 10 FGCDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)s1 ZINC000827941820 729437575 /nfs/dbraw/zinc/43/75/75/729437575.db2.gz ISBMLAJMOIGYHA-GFCCVEGCSA-N 1 0 362.451 3.024 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)[C@@H]1SC ZINC000830454753 729561904 /nfs/dbraw/zinc/56/19/04/729561904.db2.gz CPMJUAKRRKLGBY-AQNXPRMDSA-N 1 0 364.555 3.300 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)c2ccccc2Cl)cc1 ZINC000832266797 729700749 /nfs/dbraw/zinc/70/07/49/729700749.db2.gz ITITUDXNGSUGLM-SFHVURJKSA-N 1 0 359.901 3.500 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000834828413 729837623 /nfs/dbraw/zinc/83/76/23/729837623.db2.gz UACOIDOVFQKERT-LPHOPBHVSA-N 1 0 358.507 3.364 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Br)ccc1O ZINC000834849780 729839106 /nfs/dbraw/zinc/83/91/06/729839106.db2.gz FLCJBMVEFVIZBR-GOEBONIOSA-N 1 0 371.319 3.042 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000837306317 730016174 /nfs/dbraw/zinc/01/61/74/730016174.db2.gz CMNYOMDIWIPVGU-HOTGVXAUSA-N 1 0 357.885 3.429 20 10 FGCDRO O=S(=O)(CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000840881672 730187445 /nfs/dbraw/zinc/18/74/45/730187445.db2.gz FBYFJMLOVZCLCR-IBGZPJMESA-N 1 0 359.491 3.233 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000840945199 730195058 /nfs/dbraw/zinc/19/50/58/730195058.db2.gz DFEHEDLSHUXIHE-UHFFFAOYSA-N 1 0 351.292 3.200 20 10 FGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000841042477 730205826 /nfs/dbraw/zinc/20/58/26/730205826.db2.gz KECUOPRJBFYVCL-QGZVFWFLSA-N 1 0 353.388 3.441 20 10 FGCDRO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000841099194 730211196 /nfs/dbraw/zinc/21/11/96/730211196.db2.gz HGTGQUYHQSGCRG-NVXWUHKLSA-N 1 0 359.297 3.417 20 10 FGCDRO COc1cc(Br)cc(CN2C[C@@H]([NH3+])Cc3ccccc32)c1O ZINC000841106793 730212011 /nfs/dbraw/zinc/21/20/11/730212011.db2.gz PTPXRHOWHBOBQI-AWEZNQCLSA-N 1 0 363.255 3.053 20 10 FGCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000842644735 730523956 /nfs/dbraw/zinc/52/39/56/730523956.db2.gz UNVDAINHQOFLRW-KRWDZBQOSA-N 1 0 358.404 3.324 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(Br)cc1O ZINC000842887124 730553804 /nfs/dbraw/zinc/55/38/04/730553804.db2.gz WONUZRPUKMJYAH-ZWNOBZJWSA-N 1 0 355.276 3.205 20 10 FGCDRO Brc1cc(CN2CCC[NH2+]CC2)ccc1N1CCCCC1 ZINC000843045767 730573461 /nfs/dbraw/zinc/57/34/61/730573461.db2.gz VXLJQTNARFBIRV-UHFFFAOYSA-N 1 0 352.320 3.235 20 10 FGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846157036 730932572 /nfs/dbraw/zinc/93/25/72/730932572.db2.gz ILFKDOUELJMVGZ-HUUCEWRRSA-N 1 0 363.479 3.304 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846210676 730936839 /nfs/dbraw/zinc/93/68/39/730936839.db2.gz BHZBYDYVOFZZTB-BLLLJJGKSA-N 1 0 358.276 3.045 20 10 FGCDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846215312 730937061 /nfs/dbraw/zinc/93/70/61/730937061.db2.gz PQHMFSGTXZFQJU-OXJNMPFZSA-N 1 0 350.478 3.398 20 10 FGCDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848527036 731175571 /nfs/dbraw/zinc/17/55/71/731175571.db2.gz PNQBEHWKJREFFZ-GHMZBOCLSA-N 1 0 373.291 3.119 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1O ZINC000848527526 731175689 /nfs/dbraw/zinc/17/56/89/731175689.db2.gz CCGUYMCOXZWEBG-FZMZJTMJSA-N 1 0 369.303 3.298 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000848530311 731176238 /nfs/dbraw/zinc/17/62/38/731176238.db2.gz CYGQMNPHYIHAPU-DGCLKSJQSA-N 1 0 374.275 3.010 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000848533159 731176658 /nfs/dbraw/zinc/17/66/58/731176658.db2.gz OKKYYOAZYBEKNI-JOYOIKCWSA-N 1 0 366.259 3.095 20 10 FGCDRO Cn1c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnc1Cl ZINC000848536760 731177445 /nfs/dbraw/zinc/17/74/45/731177445.db2.gz VBXKUEKTTOLNRI-AWEZNQCLSA-N 1 0 369.296 3.187 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(OC)CCOCC2)c1O ZINC000848535900 731177657 /nfs/dbraw/zinc/17/76/57/731177657.db2.gz LPOQPIFMEIGSSQ-NSHDSACASA-N 1 0 374.275 3.010 20 10 FGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848557982 731181363 /nfs/dbraw/zinc/18/13/63/731181363.db2.gz MGRAFYFWGFKBMS-MQYQWHSLSA-N 1 0 371.319 3.303 20 10 FGCDRO CCc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c1O ZINC000848891684 731218377 /nfs/dbraw/zinc/21/83/77/731218377.db2.gz XVOVESNQUBSWRB-SFHVURJKSA-N 1 0 359.539 3.094 20 10 FGCDRO COc1cc(C[NH2+]CCNC(=O)OC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850102743 731319819 /nfs/dbraw/zinc/31/98/19/731319819.db2.gz QICHAJAPNLPIGC-UHFFFAOYSA-N 1 0 352.475 3.313 20 10 FGCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850310683 731341679 /nfs/dbraw/zinc/34/16/79/731341679.db2.gz ZCPUKWCJELNZMN-CQSZACIVSA-N 1 0 350.503 3.340 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000850563297 731373544 /nfs/dbraw/zinc/37/35/44/731373544.db2.gz VRQXTWXTOVQDAW-UKRRQHHQSA-N 1 0 351.878 3.295 20 10 FGCDRO COC(=O)c1cc(C[NH2+]CCCSc2nccs2)n2c1CCCC2 ZINC000856770504 732057346 /nfs/dbraw/zinc/05/73/46/732057346.db2.gz TXOIROARYZWTTM-UHFFFAOYSA-N 1 0 365.524 3.340 20 10 FGCDRO COCCOc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858100240 732180628 /nfs/dbraw/zinc/18/06/28/732180628.db2.gz OWZPWYXXJFYFBB-UHFFFAOYSA-N 1 0 350.409 3.346 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]CCCNC(=O)c2cccs2)cc1F ZINC000858135876 732184324 /nfs/dbraw/zinc/18/43/24/732184324.db2.gz FQAXXMLUENXELH-UHFFFAOYSA-N 1 0 353.438 3.002 20 10 FGCDRO CCOc1ccc(C[NH2+]Cc2cc(Br)cnc2OC)c(O)c1 ZINC000858249859 732196740 /nfs/dbraw/zinc/19/67/40/732196740.db2.gz ZQXDTMKNTVTOJE-UHFFFAOYSA-N 1 0 367.243 3.247 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1O ZINC000858589593 732229367 /nfs/dbraw/zinc/22/93/67/732229367.db2.gz QJVDQSIUJIIOGY-VNHYZAJKSA-N 1 0 350.459 3.449 20 10 FGCDRO CCCOCCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000859008052 732267984 /nfs/dbraw/zinc/26/79/84/732267984.db2.gz QFWNBHMRGAAMLD-INIZCTEOSA-N 1 0 370.877 3.163 20 10 FGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862229702 732790495 /nfs/dbraw/zinc/79/04/95/732790495.db2.gz JKTORTUMZOYOLR-LBPRGKRZSA-N 1 0 350.260 3.268 20 10 FGCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862394891 732824069 /nfs/dbraw/zinc/82/40/69/732824069.db2.gz SHRXAAKJMQVMII-ZDUSSCGKSA-N 1 0 367.287 3.132 20 10 FGCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1c1ccc(O)cc1 ZINC000862497446 732841879 /nfs/dbraw/zinc/84/18/79/732841879.db2.gz VJOCSCZYFUZZKZ-LSDHHAIUSA-N 1 0 361.825 3.140 20 10 FGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)on1 ZINC000866514888 733359045 /nfs/dbraw/zinc/35/90/45/733359045.db2.gz VGFDORQCDCHBFJ-VIFPVBQESA-N 1 0 369.215 3.170 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cc(Cl)ccc1O ZINC000866577412 733369031 /nfs/dbraw/zinc/36/90/31/733369031.db2.gz OJKMPXFTIKGCPV-ZDUSSCGKSA-N 1 0 359.857 3.422 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877031480 736177447 /nfs/dbraw/zinc/17/74/47/736177447.db2.gz RMUDGUNQOHXKMS-UHFFFAOYSA-N 1 0 374.286 3.156 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877587975 736689024 /nfs/dbraw/zinc/68/90/24/736689024.db2.gz SMDQRIMOYMFEOI-UHFFFAOYSA-N 1 0 353.871 3.437 20 10 FGCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000882903492 737502439 /nfs/dbraw/zinc/50/24/39/737502439.db2.gz DGVZBUHAVLTGAR-UHFFFAOYSA-N 1 0 357.267 3.258 20 10 FGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000883305079 737550704 /nfs/dbraw/zinc/55/07/04/737550704.db2.gz NYCHGIXTIDUCRQ-APWZRJJASA-N 1 0 350.528 3.295 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000886261691 739236963 /nfs/dbraw/zinc/23/69/63/739236963.db2.gz AJRYYLSEYNTPNF-IRTIRVBGSA-N 1 0 360.523 3.139 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cc(C3CC3)no2)c1O ZINC000886272657 739237858 /nfs/dbraw/zinc/23/78/58/739237858.db2.gz XUHKRJBLSSFKFU-UHFFFAOYSA-N 1 0 353.216 3.319 20 10 FGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886749666 739290691 /nfs/dbraw/zinc/29/06/91/739290691.db2.gz ZPNFQTYGWLTAQA-ZDUSSCGKSA-N 1 0 358.511 3.004 20 10 FGCDRO CC(=O)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891247064 739886140 /nfs/dbraw/zinc/88/61/40/739886140.db2.gz HBKQYWCSJZHFIB-KRWDZBQOSA-N 1 0 359.495 3.049 20 10 FGCDRO COc1ccc(C[NH2+]CCc2csc(C(C)(C)C)n2)c(O)c1OC ZINC000893254006 742130223 /nfs/dbraw/zinc/13/02/23/742130223.db2.gz BHLKSAYLHXOZHY-UHFFFAOYSA-N 1 0 350.484 3.496 20 10 FGCDRO COc1cc(C)cc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000893919910 742213308 /nfs/dbraw/zinc/21/33/08/742213308.db2.gz MCZSCVQTVAWPCD-CQSZACIVSA-N 1 0 363.479 3.306 20 10 FGCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cs1 ZINC000894190494 742250778 /nfs/dbraw/zinc/25/07/78/742250778.db2.gz QGWMFRHGGXHKJD-UHFFFAOYSA-N 1 0 362.520 3.378 20 10 FGCDRO COCCOc1ccc(C[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000894433045 742282747 /nfs/dbraw/zinc/28/27/47/742282747.db2.gz ZUBGBEYWXUPDLP-UHFFFAOYSA-N 1 0 356.216 3.063 20 10 FGCDRO COc1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c(O)c1OC ZINC000894606114 742305169 /nfs/dbraw/zinc/30/51/69/742305169.db2.gz FPPXCHKMYBJLSP-UHFFFAOYSA-N 1 0 356.344 3.156 20 10 FGCDRO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000895633034 742435108 /nfs/dbraw/zinc/43/51/08/742435108.db2.gz WKWIPKQPUCQPEJ-FUHWJXTLSA-N 1 0 360.523 3.315 20 10 FGCDRO Cc1nc(CC2CC[NH+](Cc3ccc(Br)cc3O)CC2)no1 ZINC000896550649 742564552 /nfs/dbraw/zinc/56/45/52/742564552.db2.gz XAMKBFTXSVYGBT-UHFFFAOYSA-N 1 0 366.259 3.301 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897616657 742695992 /nfs/dbraw/zinc/69/59/92/742695992.db2.gz VTBRIZWFDYZHAQ-LLVKDONJSA-N 1 0 353.344 3.199 20 10 FGCDRO COc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000899260499 742900806 /nfs/dbraw/zinc/90/08/06/742900806.db2.gz ITKFJWOCSZVCMI-WJDWOHSUSA-N 1 0 362.520 3.299 20 10 FGCDRO CC[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000903211872 743822780 /nfs/dbraw/zinc/82/27/80/743822780.db2.gz FLKDZKFZOBMGPI-FZMZJTMJSA-N 1 0 355.276 3.064 20 10 FGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000922338250 758895659 /nfs/dbraw/zinc/89/56/59/758895659.db2.gz IZAKTTKQTGGYAS-PKOBYXMFSA-N 1 0 361.555 3.152 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000922732418 758993447 /nfs/dbraw/zinc/99/34/47/758993447.db2.gz PQVQYMPRWVWVPN-OIBJUYFYSA-N 1 0 354.166 3.451 20 10 FGCDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)s1 ZINC000922839114 759013423 /nfs/dbraw/zinc/01/34/23/759013423.db2.gz NZKWILMWNOBPKR-UHFFFAOYSA-N 1 0 359.495 3.252 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cc(C)n(C)n2)c1O ZINC000926912046 759846909 /nfs/dbraw/zinc/84/69/09/759846909.db2.gz VIRJUWVDLBFYKU-LLVKDONJSA-N 1 0 368.275 3.099 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC2CCOCC2)c1O ZINC000927080821 759887334 /nfs/dbraw/zinc/88/73/34/759887334.db2.gz WYAACLKPKHPHKR-GFCCVEGCSA-N 1 0 358.276 3.309 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CCC1(O)CCC1 ZINC000929755429 760450217 /nfs/dbraw/zinc/45/02/17/760450217.db2.gz OFFXUJHFWLLNIA-OAHLLOKOSA-N 1 0 372.303 3.033 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCSCC1 ZINC000779014979 724381013 /nfs/dbraw/zinc/38/10/13/724381013.db2.gz ZHVYVKJJGUCWJY-CRAIPNDOSA-N 1 0 361.555 3.010 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000779023945 724381803 /nfs/dbraw/zinc/38/18/03/724381803.db2.gz IDEGOPFORSAGOV-STQMWFEESA-N 1 0 358.276 3.167 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000779023509 724382156 /nfs/dbraw/zinc/38/21/56/724382156.db2.gz GJAPOIPIAJZUBV-LLVKDONJSA-N 1 0 355.276 3.159 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000089512658 494319324 /nfs/dbraw/zinc/31/93/24/494319324.db2.gz WRNWVEOSIXGWFA-CQSZACIVSA-N 1 0 359.401 3.421 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000121304196 494691306 /nfs/dbraw/zinc/69/13/06/494691306.db2.gz XBXUNWMXELSNGS-UHFFFAOYSA-N 1 0 366.509 3.150 20 10 FGCDRO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958273 494735383 /nfs/dbraw/zinc/73/53/83/494735383.db2.gz UPJGRWATDWYCHT-UXHICEINSA-N 1 0 356.466 3.204 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c1 ZINC000093010565 494807822 /nfs/dbraw/zinc/80/78/22/494807822.db2.gz OXVCMSXNHLQIAK-UHFFFAOYSA-N 1 0 358.438 3.087 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c(O)c1 ZINC000093272671 494854116 /nfs/dbraw/zinc/85/41/16/494854116.db2.gz PIHIWZHGYIAPRD-UHFFFAOYSA-N 1 0 356.470 3.072 20 10 FGCDRO c1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(C2CC2)n1 ZINC000121846475 494873542 /nfs/dbraw/zinc/87/35/42/494873542.db2.gz CIVFOGUZCFUGQJ-UHFFFAOYSA-N 1 0 363.509 3.498 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000093740594 494916590 /nfs/dbraw/zinc/91/65/90/494916590.db2.gz VLTXMVKQZQAKGY-UHFFFAOYSA-N 1 0 368.433 3.306 20 10 FGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000093842187 494927422 /nfs/dbraw/zinc/92/74/22/494927422.db2.gz HKAVVCZAWMMMSC-JOCHJYFZSA-N 1 0 374.525 3.073 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]CC3=Cc4ccccc4OC3)cc2F)CC1 ZINC000102424247 495136555 /nfs/dbraw/zinc/13/65/55/495136555.db2.gz HGLMWVJGPDQIQV-UHFFFAOYSA-N 1 0 368.452 3.352 20 10 FGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccc(F)cc2C1 ZINC000185365976 495550625 /nfs/dbraw/zinc/55/06/25/495550625.db2.gz KSDOFYHMAKHJBM-NRFANRHFSA-N 1 0 355.457 3.475 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000179657145 495680223 /nfs/dbraw/zinc/68/02/23/495680223.db2.gz QZNYBZHUEWWNTR-HNNXBMFYSA-N 1 0 356.470 3.098 20 10 FGCDRO c1ccc(-c2cnc(CNCc3ccc(N4CCOCC4)cc3)nc2)cc1 ZINC000185869124 495756346 /nfs/dbraw/zinc/75/63/46/495756346.db2.gz ZFMYXKNUDRSUPG-UHFFFAOYSA-N 1 0 360.461 3.270 20 10 FGCDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160118554 495888052 /nfs/dbraw/zinc/88/80/52/495888052.db2.gz CVRHOWXHXHHXOH-AUUYWEPGSA-N 1 0 364.486 3.282 20 10 FGCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183446416 495986588 /nfs/dbraw/zinc/98/65/88/495986588.db2.gz BPZOYELZNGLIAK-OAHLLOKOSA-N 1 0 362.495 3.272 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCCN(C)CC(F)(F)F)CC2)cc1 ZINC000156381929 496229789 /nfs/dbraw/zinc/22/97/89/496229789.db2.gz IOCQHDUNHTVBQJ-UHFFFAOYSA-N 1 0 359.436 3.138 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000163395586 496510473 /nfs/dbraw/zinc/51/04/73/496510473.db2.gz GRKCKCZPISUVSX-HIFRSBDPSA-N 1 0 358.404 3.057 20 10 FGCDRO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000164301160 496603190 /nfs/dbraw/zinc/60/31/90/496603190.db2.gz XITZLJMANKLNAD-VQIMIIECSA-N 1 0 352.478 3.302 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000185057972 496640924 /nfs/dbraw/zinc/64/09/24/496640924.db2.gz CVSDAUCFSSTXFI-OAHLLOKOSA-N 1 0 352.438 3.449 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000277519420 496800356 /nfs/dbraw/zinc/80/03/56/496800356.db2.gz PDHOUPNHBZWBAB-CJNGLKHVSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)cc1OC ZINC000191780071 496887650 /nfs/dbraw/zinc/88/76/50/496887650.db2.gz LCHVJLSWYVSJFP-YCRPNKLZSA-N 1 0 359.466 3.129 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1C ZINC000274022595 496994940 /nfs/dbraw/zinc/99/49/40/496994940.db2.gz FJYZXCADZCEGRG-INIZCTEOSA-N 1 0 374.506 3.400 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ccncc3C)CC2)cc1OC ZINC000278078265 496996117 /nfs/dbraw/zinc/99/61/17/496996117.db2.gz NORHGMADEKDDJK-UHFFFAOYSA-N 1 0 358.438 3.156 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000248480900 497023595 /nfs/dbraw/zinc/02/35/95/497023595.db2.gz AUVPTIZINMCYNY-GQIGUUNPSA-N 1 0 355.482 3.357 20 10 FGCDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000192481664 497128490 /nfs/dbraw/zinc/12/84/90/497128490.db2.gz XVBJBUQXUBLIQU-CXAGYDPISA-N 1 0 358.404 3.057 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccnn1C ZINC000192692378 497186073 /nfs/dbraw/zinc/18/60/73/497186073.db2.gz BVMDAJHQCKNUSQ-ZDUSSCGKSA-N 1 0 368.403 3.126 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1OC ZINC000279843512 497561186 /nfs/dbraw/zinc/56/11/86/497561186.db2.gz RFCXOQFUGFVQCT-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO O=C(CN1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1)Nc1ccccc1 ZINC000295872134 497838163 /nfs/dbraw/zinc/83/81/63/497838163.db2.gz HDIRUXMEGDRUPV-LJQANCHMSA-N 1 0 365.477 3.072 20 10 FGCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000285609206 498145615 /nfs/dbraw/zinc/14/56/15/498145615.db2.gz XFLSWZWQVHTVNQ-UHFFFAOYSA-N 1 0 350.528 3.124 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c1 ZINC000365045161 498271023 /nfs/dbraw/zinc/27/10/23/498271023.db2.gz UEQOAXVPEYXMAY-FQEVSTJZSA-N 1 0 360.498 3.404 20 10 FGCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](CO)c3ccccc3)cc2)CC1 ZINC000297138446 498330101 /nfs/dbraw/zinc/33/01/01/498330101.db2.gz NKRBXRQCAYISHN-JOCHJYFZSA-N 1 0 354.494 3.467 20 10 FGCDRO CCc1ncnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1F ZINC000301932910 498334140 /nfs/dbraw/zinc/33/41/40/498334140.db2.gz POTCULIZVIJAFL-UHFFFAOYSA-N 1 0 369.488 3.322 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287061916 498612506 /nfs/dbraw/zinc/61/25/06/498612506.db2.gz NOLJRQNWJAOPHQ-HOTGVXAUSA-N 1 0 368.518 3.291 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C4(C)OCCO4)C3)cc2)CC1 ZINC000294865267 498831636 /nfs/dbraw/zinc/83/16/36/498831636.db2.gz AOVOUGRMSYGUHJ-IBGZPJMESA-N 1 0 374.525 3.277 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2nccnc2C)c1O ZINC000294965766 498865478 /nfs/dbraw/zinc/86/54/78/498865478.db2.gz JNRHWKLFSLOUHV-LLVKDONJSA-N 1 0 350.260 3.455 20 10 FGCDRO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366319927 498873458 /nfs/dbraw/zinc/87/34/58/498873458.db2.gz CTYNGYARXPIJEZ-CXAGYDPISA-N 1 0 373.419 3.045 20 10 FGCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295387278 499001386 /nfs/dbraw/zinc/00/13/86/499001386.db2.gz QONBYTNSGIYTQH-HXUWFJFHSA-N 1 0 373.541 3.183 20 10 FGCDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C2 ZINC000363862446 499029913 /nfs/dbraw/zinc/02/99/13/499029913.db2.gz YYZVBSHVMPKNGQ-AAEUAGOBSA-N 1 0 350.260 3.325 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000366694950 499036839 /nfs/dbraw/zinc/03/68/39/499036839.db2.gz LITWFLTZQIFXRF-HTAPYJJXSA-N 1 0 351.494 3.361 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2Cn2nc(C)nc2C)c1O ZINC000363911560 499050194 /nfs/dbraw/zinc/05/01/94/499050194.db2.gz UQHDBDNGMXLQNM-INIZCTEOSA-N 1 0 364.877 3.317 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c(O)c1 ZINC000369901967 499148425 /nfs/dbraw/zinc/14/84/25/499148425.db2.gz JDCZEOPBWOSEJS-NWDGAFQWSA-N 1 0 354.376 3.268 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589108 499149990 /nfs/dbraw/zinc/14/99/90/499149990.db2.gz CGPAUWVGGLODPG-HUUCEWRRSA-N 1 0 374.485 3.175 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617035 499154505 /nfs/dbraw/zinc/15/45/05/499154505.db2.gz HIEMQPFARZROAY-XJIUQZFPSA-N 1 0 354.441 3.210 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1F ZINC000367349289 499186129 /nfs/dbraw/zinc/18/61/29/499186129.db2.gz NQYDXXTUWJBJLM-INIZCTEOSA-N 1 0 359.445 3.127 20 10 FGCDRO CC(C)n1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC000367455852 499200816 /nfs/dbraw/zinc/20/08/16/499200816.db2.gz LLEOUKWJMZYLPB-UHFFFAOYSA-N 1 0 365.428 3.219 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(=O)[nH]n1 ZINC000367750401 499230785 /nfs/dbraw/zinc/23/07/85/499230785.db2.gz AOGKEVPYNSVZPF-GFCCVEGCSA-N 1 0 364.396 3.103 20 10 FGCDRO OC1(c2ccccc2)CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000368715133 499324820 /nfs/dbraw/zinc/32/48/20/499324820.db2.gz IPWDEXGEMPGFLR-UHFFFAOYSA-N 1 0 366.505 3.443 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)cc1 ZINC000371486839 499333359 /nfs/dbraw/zinc/33/33/59/499333359.db2.gz ANXQDIXJWXREDE-MAUKXSAKSA-N 1 0 357.502 3.149 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)cc1 ZINC000371486840 499333365 /nfs/dbraw/zinc/33/33/65/499333365.db2.gz ANXQDIXJWXREDE-QAPCUYQASA-N 1 0 357.502 3.149 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000375305757 499505367 /nfs/dbraw/zinc/50/53/67/499505367.db2.gz JBRQSMQIXHWERI-JKSUJKDBSA-N 1 0 360.498 3.432 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(C)ccc3O)CC2)c1C ZINC000377719340 499725013 /nfs/dbraw/zinc/72/50/13/499725013.db2.gz QIKIXSNYZUEMKZ-UHFFFAOYSA-N 1 0 357.454 3.219 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1C ZINC000377832926 499740454 /nfs/dbraw/zinc/74/04/54/499740454.db2.gz VWMNPLLMUKYAKX-KRWDZBQOSA-N 1 0 356.470 3.024 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412306887 499843243 /nfs/dbraw/zinc/84/32/43/499843243.db2.gz QBPSUHSDCPPJML-QGZVFWFLSA-N 1 0 371.550 3.320 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(F)(F)C2)C1 ZINC000444373949 500841339 /nfs/dbraw/zinc/84/13/39/500841339.db2.gz XFQLMVMWDXOQNC-UHFFFAOYSA-N 1 0 361.436 3.322 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472231865 502277702 /nfs/dbraw/zinc/27/77/02/502277702.db2.gz HQSGHFJAVXOSMH-GOSISDBHSA-N 1 0 368.525 3.360 20 10 FGCDRO COc1cccc([C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2(C)C)c1 ZINC000530101544 503837067 /nfs/dbraw/zinc/83/70/67/503837067.db2.gz IQGHGJXXWOAIPH-ICSRJNTNSA-N 1 0 369.461 3.452 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]([NH+](C)C)C3)ccc21 ZINC000520716985 504563512 /nfs/dbraw/zinc/56/35/12/504563512.db2.gz NANWTPAYBYISGT-SFHVURJKSA-N 1 0 357.498 3.071 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@H](F)C2)C1 ZINC000557953270 505271008 /nfs/dbraw/zinc/27/10/08/505271008.db2.gz YUCFWEFMYMCRCW-HOTGVXAUSA-N 1 0 357.473 3.415 20 10 FGCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC4(CCCC4)c4ccccc43)c21 ZINC000592536304 507699644 /nfs/dbraw/zinc/69/96/44/507699644.db2.gz KDTTYIOWPUTKHD-OAHLLOKOSA-N 1 0 350.466 3.191 20 10 FGCDRO C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714581 600986607 /nfs/dbraw/zinc/98/66/07/600986607.db2.gz VDVSOEXXTJWCOP-INIZCTEOSA-N 1 0 368.477 3.407 20 10 FGCDRO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000004988155 695545059 /nfs/dbraw/zinc/54/50/59/695545059.db2.gz VFSCRAXGHBRLMI-UHFFFAOYSA-N 1 0 362.345 3.404 20 10 FGCDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067485 700222975 /nfs/dbraw/zinc/22/29/75/700222975.db2.gz MPQPSPHRNNPWPD-OALUTQOASA-N 1 0 363.571 3.317 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000093647114 700453034 /nfs/dbraw/zinc/45/30/34/700453034.db2.gz XABQPPYGDUZODB-OALUTQOASA-N 1 0 352.544 3.320 20 10 FGCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093692909 700453601 /nfs/dbraw/zinc/45/36/01/700453601.db2.gz WJULMBMTWNOSQO-ZDUSSCGKSA-N 1 0 371.319 3.327 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116439895 700593562 /nfs/dbraw/zinc/59/35/62/700593562.db2.gz KJUDJZKNYQDPOJ-DYVFJYSZSA-N 1 0 351.491 3.127 20 10 FGCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000127310024 700759877 /nfs/dbraw/zinc/75/98/77/700759877.db2.gz MLFUMVBMJRVRCH-CQSZACIVSA-N 1 0 357.292 3.079 20 10 FGCDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000152610029 704967975 /nfs/dbraw/zinc/96/79/75/704967975.db2.gz SLROFVUZLSOLKS-UHFFFAOYSA-N 1 0 356.561 3.187 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1O ZINC000155136636 705064813 /nfs/dbraw/zinc/06/48/13/705064813.db2.gz KOUQGSLXWMGLGK-UHFFFAOYSA-N 1 0 366.889 3.423 20 10 FGCDRO CC(C)[NH+](CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000156240455 705107543 /nfs/dbraw/zinc/10/75/43/705107543.db2.gz GWGHBRDUUFLSPI-QGZVFWFLSA-N 1 0 351.510 3.432 20 10 FGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000163418000 705314381 /nfs/dbraw/zinc/31/43/81/705314381.db2.gz KJGSOUXPDMPDCU-QGZVFWFLSA-N 1 0 358.404 3.057 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCCN(C(C)C)C1=O ZINC000177027196 705601572 /nfs/dbraw/zinc/60/15/72/705601572.db2.gz DCMRWXJOZMISPN-HNNXBMFYSA-N 1 0 369.303 3.376 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000195204777 713549097 /nfs/dbraw/zinc/54/90/97/713549097.db2.gz DXPPROHSGBTUJY-IBGZPJMESA-N 1 0 350.459 3.138 20 10 FGCDRO COCC1(C)CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000779606660 724419231 /nfs/dbraw/zinc/41/92/31/724419231.db2.gz WDXKYEUGQGEWGQ-UHFFFAOYSA-N 1 0 358.276 3.412 20 10 FGCDRO CCCC(=O)NC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775655858 724016901 /nfs/dbraw/zinc/01/69/01/724016901.db2.gz LSVFXSIPWCNOFI-UHFFFAOYSA-N 1 0 369.303 3.344 20 10 FGCDRO O=C(CCCC[NH+]1CCCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000729322635 722458908 /nfs/dbraw/zinc/45/89/08/722458908.db2.gz HDTQCSKCNSSYOH-UHFFFAOYSA-N 1 0 361.555 3.122 20 10 FGCDRO CCCCCNC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743873035 722572264 /nfs/dbraw/zinc/57/22/64/722572264.db2.gz GSYXOGSSUBPNFU-UHFFFAOYSA-N 1 0 357.292 3.283 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](C)c2ccncc2)c1O ZINC000749295967 722723596 /nfs/dbraw/zinc/72/35/96/722723596.db2.gz LTJHTTOTHQPISR-NSHDSACASA-N 1 0 351.244 3.452 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000756384077 722963720 /nfs/dbraw/zinc/96/37/20/722963720.db2.gz NEBMIZSXSZMBOI-XHDPSFHLSA-N 1 0 364.442 3.241 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756469519 722965199 /nfs/dbraw/zinc/96/51/99/722965199.db2.gz JDEDQOITWLUQKG-XHDPSFHLSA-N 1 0 364.442 3.241 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(Br)ccc1O ZINC000790749439 723173503 /nfs/dbraw/zinc/17/35/03/723173503.db2.gz DRUXHOFYPMAUEY-ZANVPECISA-N 1 0 366.263 3.278 20 10 FGCDRO COC1(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000790788171 723177863 /nfs/dbraw/zinc/17/78/63/723177863.db2.gz UAAQHDDQGQHHHL-MRXNPFEDSA-N 1 0 366.889 3.085 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O ZINC000763453401 723343953 /nfs/dbraw/zinc/34/39/53/723343953.db2.gz RXTAZQSORFACIU-APWZRJJASA-N 1 0 365.832 3.449 20 10 FGCDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000792977748 723389002 /nfs/dbraw/zinc/38/90/02/723389002.db2.gz MSEVGNDPSDNZET-OALUTQOASA-N 1 0 364.555 3.226 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000792992049 723390783 /nfs/dbraw/zinc/39/07/83/723390783.db2.gz GBOBRACHPLWUKW-HSZRJFAPSA-N 1 0 350.450 3.408 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000793349385 723427731 /nfs/dbraw/zinc/42/77/31/723427731.db2.gz SKDYRSHYIJOJKD-INIZCTEOSA-N 1 0 354.372 3.474 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000793565762 723449347 /nfs/dbraw/zinc/44/93/47/723449347.db2.gz DBTJOGSFWDLYFK-NJZAAPMLSA-N 1 0 374.319 3.272 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000793609570 723454479 /nfs/dbraw/zinc/45/44/79/723454479.db2.gz OWGSAHTUONABGZ-KGLIPLIRSA-N 1 0 356.260 3.307 20 10 FGCDRO CCc1cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793701447 723461765 /nfs/dbraw/zinc/46/17/65/723461765.db2.gz UIDACNXGNPTRKE-HNNXBMFYSA-N 1 0 353.528 3.119 20 10 FGCDRO CS[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@H]1[NH+](C)C ZINC000765268539 723499937 /nfs/dbraw/zinc/49/99/37/723499937.db2.gz JUSZYRBWUIYMLQ-HZPDHXFCSA-N 1 0 363.552 3.273 20 10 FGCDRO CCn1cc(CC[N@H+](CC)Cc2cc(Br)ccc2O)cn1 ZINC000794561440 723531044 /nfs/dbraw/zinc/53/10/44/723531044.db2.gz VGJORCXQWFDASR-UHFFFAOYSA-N 1 0 352.276 3.436 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000794836050 723548449 /nfs/dbraw/zinc/54/84/49/723548449.db2.gz RKCPKUYWUOMNSD-PWSUYJOCSA-N 1 0 373.266 3.203 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccs1 ZINC000765978191 723549491 /nfs/dbraw/zinc/54/94/91/723549491.db2.gz MFHRNDFCKIPROJ-QGZVFWFLSA-N 1 0 364.536 3.224 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000765994724 723550627 /nfs/dbraw/zinc/55/06/27/723550627.db2.gz RFEFINIBBFBEDE-KSSFIOAISA-N 1 0 352.906 3.415 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766584487 723582427 /nfs/dbraw/zinc/58/24/27/723582427.db2.gz UIIWHLSEZWYBAL-HIFRSBDPSA-N 1 0 360.889 3.108 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000767712895 723630798 /nfs/dbraw/zinc/63/07/98/723630798.db2.gz TYFSFWNIWZZKPY-HNNXBMFYSA-N 1 0 352.400 3.111 20 10 FGCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000796526683 723641520 /nfs/dbraw/zinc/64/15/20/723641520.db2.gz PTGZJAZIMCKNTP-NRFANRHFSA-N 1 0 368.296 3.323 20 10 FGCDRO CCCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915061 723672107 /nfs/dbraw/zinc/67/21/07/723672107.db2.gz INKSUVAMYQDZIP-WMLDXEAASA-N 1 0 368.905 3.331 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335833 723682805 /nfs/dbraw/zinc/68/28/05/723682805.db2.gz YIUZYSCNPQKZLY-CQSZACIVSA-N 1 0 350.459 3.090 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000771890970 723744529 /nfs/dbraw/zinc/74/45/29/723744529.db2.gz VNLCKOPSGXAYBB-KGLIPLIRSA-N 1 0 358.276 3.457 20 10 FGCDRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000797581996 723837986 /nfs/dbraw/zinc/83/79/86/723837986.db2.gz HHQNGCUPYCTYAF-ILZDJORESA-N 1 0 364.555 3.226 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)c1O ZINC000798498518 723938120 /nfs/dbraw/zinc/93/81/20/723938120.db2.gz CMTXIRKGKSAYAZ-UHFFFAOYSA-N 1 0 362.857 3.181 20 10 FGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775143784 723963680 /nfs/dbraw/zinc/96/36/80/723963680.db2.gz BYYIVPYYAXCCMU-TVQRCGJNSA-N 1 0 368.193 3.290 20 10 FGCDRO CC[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(Br)ccc1O ZINC000775502904 723996540 /nfs/dbraw/zinc/99/65/40/723996540.db2.gz YIVBBEBMPVGSNJ-HNNXBMFYSA-N 1 0 371.319 3.306 20 10 FGCDRO CC[C@@H]([NH2+]CCNc1cnccn1)c1cc(Br)ccc1O ZINC000775513919 723997513 /nfs/dbraw/zinc/99/75/13/723997513.db2.gz OORPKYNAKZMFNR-CYBMUJFWSA-N 1 0 351.248 3.098 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1OC ZINC000776219712 724120754 /nfs/dbraw/zinc/12/07/54/724120754.db2.gz GUSAJYPDTWVBAG-MLCYQJTMSA-N 1 0 369.820 3.414 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(OCC)c2O)C1 ZINC000776811756 724185259 /nfs/dbraw/zinc/18/52/59/724185259.db2.gz OMTIAUOJJHTXBI-ZBFHGGJFSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1cc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c(O)cc1C ZINC000777552124 724237988 /nfs/dbraw/zinc/23/79/88/724237988.db2.gz NVZISPGUBLFYRS-UHFFFAOYSA-N 1 0 363.845 3.196 20 10 FGCDRO C[NH+](C)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000802379828 724380101 /nfs/dbraw/zinc/38/01/01/724380101.db2.gz VETDIPLDNYHMKZ-IGKXFLDPSA-N 1 0 360.841 3.184 20 10 FGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cc(Cl)cs3)cc2)C1 ZINC000785431065 724911947 /nfs/dbraw/zinc/91/19/47/724911947.db2.gz DNOJISMZJOCAIQ-AWEZNQCLSA-N 1 0 363.914 3.393 20 10 FGCDRO COC(=O)[C@H]1[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769358 725038009 /nfs/dbraw/zinc/03/80/09/725038009.db2.gz DUTUVNNFWPBBGH-IAGOWNOFSA-N 1 0 352.425 3.163 20 10 FGCDRO COC(=O)[C@@H]1[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770678 725038068 /nfs/dbraw/zinc/03/80/68/725038068.db2.gz UEGJEBPRQHVDNC-ZBFHGGJFSA-N 1 0 351.349 3.042 20 10 FGCDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000788542216 725071884 /nfs/dbraw/zinc/07/18/84/725071884.db2.gz KWRWPSRVXUBZDC-CYBMUJFWSA-N 1 0 360.420 3.445 20 10 FGCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000808455284 725202103 /nfs/dbraw/zinc/20/21/03/725202103.db2.gz ZPMQBQAGSBDOFR-LBPRGKRZSA-N 1 0 359.308 3.373 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c1O ZINC000808675563 725212924 /nfs/dbraw/zinc/21/29/24/725212924.db2.gz LLKKZGCMFMWUTP-AWEZNQCLSA-N 1 0 361.873 3.436 20 10 FGCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808679407 725213260 /nfs/dbraw/zinc/21/32/60/725213260.db2.gz NPFWEOUNMSTZGS-GFCCVEGCSA-N 1 0 368.886 3.113 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+]2CC=C(c3ccnn3C)CC2)c1O ZINC000809690839 725258981 /nfs/dbraw/zinc/25/89/81/725258981.db2.gz ZRUKANWPRQQQSK-UHFFFAOYSA-N 1 0 362.271 3.486 20 10 FGCDRO COC(=O)c1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000809712828 725261589 /nfs/dbraw/zinc/26/15/89/725261589.db2.gz VFMSKYQNISECQC-UHFFFAOYSA-N 1 0 350.212 3.231 20 10 FGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H]1C ZINC000809713372 725261652 /nfs/dbraw/zinc/26/16/52/725261652.db2.gz NLUZRRFNZGKKCJ-UHIISALHSA-N 1 0 356.260 3.222 20 10 FGCDRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809738137 725263898 /nfs/dbraw/zinc/26/38/98/725263898.db2.gz QTRSKYSTNBTQPT-INIZCTEOSA-N 1 0 357.901 3.033 20 10 FGCDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000809737573 725263977 /nfs/dbraw/zinc/26/39/77/725263977.db2.gz IESXTUAOGVTVNA-UHFFFAOYSA-N 1 0 362.857 3.338 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1O ZINC000810217029 725297585 /nfs/dbraw/zinc/29/75/85/725297585.db2.gz VDZHJAMPVQCKSZ-LZWOXQAQSA-N 1 0 358.404 3.315 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810219442 725297708 /nfs/dbraw/zinc/29/77/08/725297708.db2.gz RUZYWZXWRLRHAW-BBRMVZONSA-N 1 0 360.420 3.420 20 10 FGCDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810226367 725298255 /nfs/dbraw/zinc/29/82/55/725298255.db2.gz FAMXEWLMFQEONM-GXTWGEPZSA-N 1 0 359.392 3.256 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCSC1 ZINC000810631472 725318738 /nfs/dbraw/zinc/31/87/38/725318738.db2.gz UYLNTVLRPPOMTQ-XJKSGUPXSA-N 1 0 368.930 3.269 20 10 FGCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000813792765 726914829 /nfs/dbraw/zinc/91/48/29/726914829.db2.gz WQQQXZUMQYEFCS-HNNXBMFYSA-N 1 0 354.219 3.425 20 10 FGCDRO CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815558941 727084057 /nfs/dbraw/zinc/08/40/57/727084057.db2.gz SDSDTHJNVIKDST-AWEZNQCLSA-N 1 0 359.436 3.089 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)ccc1O ZINC000817586784 727268300 /nfs/dbraw/zinc/26/83/00/727268300.db2.gz SGLNHAGPGSTNIP-SRVKXCTJSA-N 1 0 355.276 3.097 20 10 FGCDRO COCCc1nc(C)c([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817941368 727289017 /nfs/dbraw/zinc/28/90/17/727289017.db2.gz JPDQBNGDFHYXLP-CXAGYDPISA-N 1 0 362.543 3.057 20 10 FGCDRO C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978219 727290123 /nfs/dbraw/zinc/29/01/23/727290123.db2.gz YNXBIRAUQNBSRY-PRJMDXOYSA-N 1 0 366.097 3.304 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000817987563 727290689 /nfs/dbraw/zinc/29/06/89/727290689.db2.gz UITXSUNGYSCSNR-SRRSOLGSSA-N 1 0 357.267 3.333 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)c(Br)c1 ZINC000818997042 727336102 /nfs/dbraw/zinc/33/61/02/727336102.db2.gz QIKSADWWAVBRDC-INIZCTEOSA-N 1 0 366.230 3.346 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000823961289 729314005 /nfs/dbraw/zinc/31/40/05/729314005.db2.gz PZOMDJLFRWOTST-UHFFFAOYSA-N 1 0 366.552 3.297 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CN(C)CCO1 ZINC000824011923 729315827 /nfs/dbraw/zinc/31/58/27/729315827.db2.gz HOPPKWNTFJZTMP-OXJNMPFZSA-N 1 0 359.539 3.193 20 10 FGCDRO COC(=O)CCC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824789506 729358991 /nfs/dbraw/zinc/35/89/91/729358991.db2.gz PUUFZQKPZBQORU-UHFFFAOYSA-N 1 0 356.260 3.320 20 10 FGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c1O ZINC000824821302 729360107 /nfs/dbraw/zinc/36/01/07/729360107.db2.gz XWKJJNDZXMBEMF-AWEZNQCLSA-N 1 0 358.276 3.410 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000824926770 729365360 /nfs/dbraw/zinc/36/53/60/729365360.db2.gz SRQGYEVFNWZPFX-INIZCTEOSA-N 1 0 362.857 3.363 20 10 FGCDRO COc1ccc(O)c(C[N@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)c1 ZINC000824932483 729365611 /nfs/dbraw/zinc/36/56/11/729365611.db2.gz QKDUIXXTRULRSI-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1O ZINC000825041051 729368648 /nfs/dbraw/zinc/36/86/48/729368648.db2.gz ZVCCFWAEVNZYHV-CYBMUJFWSA-N 1 0 360.292 3.392 20 10 FGCDRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825129944 729372121 /nfs/dbraw/zinc/37/21/21/729372121.db2.gz IOBNMMSSNPPMDL-OXQOHEQNSA-N 1 0 360.523 3.356 20 10 FGCDRO O=C(CC[NH2+]Cc1ccc(Br)cc1O)NC1CCCCC1 ZINC000825130457 729372248 /nfs/dbraw/zinc/37/22/48/729372248.db2.gz AIBJPWRWDKJTBM-UHFFFAOYSA-N 1 0 355.276 3.083 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+](CCO)C2CCSCC2)c1O ZINC000825133507 729372322 /nfs/dbraw/zinc/37/23/22/729372322.db2.gz HZVKSQUPLFWGKY-UHFFFAOYSA-N 1 0 360.317 3.153 20 10 FGCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825394423 729381655 /nfs/dbraw/zinc/38/16/55/729381655.db2.gz AGRMQRCULCHMLD-MRXNPFEDSA-N 1 0 366.255 3.377 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000826940638 729419592 /nfs/dbraw/zinc/41/95/92/729419592.db2.gz DOQVMUNFAXOJTP-INIZCTEOSA-N 1 0 364.848 3.041 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000827679142 729433228 /nfs/dbraw/zinc/43/32/28/729433228.db2.gz ICCUHJDDFLIYFL-CYBMUJFWSA-N 1 0 369.303 3.200 20 10 FGCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000827951075 729437677 /nfs/dbraw/zinc/43/76/77/729437677.db2.gz VQKMQCDAYUIRDZ-OAHLLOKOSA-N 1 0 366.255 3.295 20 10 FGCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C1=CC(=O)CS1 ZINC000831221433 729626356 /nfs/dbraw/zinc/62/63/56/729626356.db2.gz YVALLZLSFPJWBV-HNNXBMFYSA-N 1 0 360.479 3.286 20 10 FGCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000834584984 729816045 /nfs/dbraw/zinc/81/60/45/729816045.db2.gz BKGQQRSUCUAFMN-HNNXBMFYSA-N 1 0 364.536 3.142 20 10 FGCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000834584985 729816157 /nfs/dbraw/zinc/81/61/57/729816157.db2.gz BKGQQRSUCUAFMN-OAHLLOKOSA-N 1 0 364.536 3.142 20 10 FGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(C)C ZINC000834880064 729841557 /nfs/dbraw/zinc/84/15/57/729841557.db2.gz HKPSMHLXLUPHTL-ABAIWWIYSA-N 1 0 357.292 3.308 20 10 FGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000834880679 729841871 /nfs/dbraw/zinc/84/18/71/729841871.db2.gz NQURWOPEMMMJOP-LALPHHSUSA-N 1 0 358.276 3.165 20 10 FGCDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1 ZINC000834909574 729845592 /nfs/dbraw/zinc/84/55/92/729845592.db2.gz SMKISGKWQGKWFT-OAHLLOKOSA-N 1 0 360.889 3.168 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000835049627 729853237 /nfs/dbraw/zinc/85/32/37/729853237.db2.gz HEWQBPZYEBWKCJ-SNAWJCMRSA-N 1 0 350.509 3.021 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1(C)C ZINC000840759849 730170357 /nfs/dbraw/zinc/17/03/57/730170357.db2.gz OKZAOXOCWTYIEA-IAGOWNOFSA-N 1 0 354.441 3.095 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840975788 730199794 /nfs/dbraw/zinc/19/97/94/730199794.db2.gz LQSSPKDVPZCWSQ-AWEZNQCLSA-N 1 0 366.552 3.247 20 10 FGCDRO Brc1cc(CN[C@H]2CCC[NH2+]C2)ccc1N1CCCCC1 ZINC000841042280 730205511 /nfs/dbraw/zinc/20/55/11/730205511.db2.gz IKHTVGXDBPASQK-HNNXBMFYSA-N 1 0 352.320 3.281 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnc(-c3ccccn3)s2)cc1 ZINC000841045576 730205558 /nfs/dbraw/zinc/20/55/58/730205558.db2.gz NAIVTEXVIBZLDB-KRWDZBQOSA-N 1 0 353.495 3.061 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(F)ccc2Br)cc1 ZINC000841044567 730205864 /nfs/dbraw/zinc/20/58/64/730205864.db2.gz DGCVRSOLBPFNLM-QGZVFWFLSA-N 1 0 366.278 3.444 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1O ZINC000841745921 730270116 /nfs/dbraw/zinc/27/01/16/730270116.db2.gz BUWYDUALWWGZCM-ZYHUDNBSSA-N 1 0 357.784 3.414 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(Cl)cc1O ZINC000841753441 730270784 /nfs/dbraw/zinc/27/07/84/730270784.db2.gz TWMVLQMJSVJODS-AWEZNQCLSA-N 1 0 367.898 3.354 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)cc1O ZINC000841753666 730270901 /nfs/dbraw/zinc/27/09/01/730270901.db2.gz MZAISEXLOGLINT-DYVFJYSZSA-N 1 0 359.857 3.282 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841763744 730271849 /nfs/dbraw/zinc/27/18/49/730271849.db2.gz AJIJKRWYZCVTOM-PWSUYJOCSA-N 1 0 363.246 3.453 20 10 FGCDRO [NH3+]CCC[C@@H](NC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000841858037 730281536 /nfs/dbraw/zinc/28/15/36/730281536.db2.gz SHFQDOVBBWKDOY-OAHLLOKOSA-N 1 0 364.540 3.405 20 10 FGCDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841896593 730284042 /nfs/dbraw/zinc/28/40/42/730284042.db2.gz MCLWQZZJMODQLO-KBPBESRZSA-N 1 0 352.910 3.065 20 10 FGCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841897353 730284207 /nfs/dbraw/zinc/28/42/07/730284207.db2.gz XUDXKXNLOBGTAG-MCIONIFRSA-N 1 0 352.910 3.111 20 10 FGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C1 ZINC000842671106 730528429 /nfs/dbraw/zinc/52/84/29/730528429.db2.gz VIYPPBPSBKJVNI-OAHLLOKOSA-N 1 0 351.441 3.056 20 10 FGCDRO C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1cc(F)ccc1O ZINC000842899144 730555049 /nfs/dbraw/zinc/55/50/49/730555049.db2.gz BBLHXKKNTHSETG-ZDUSSCGKSA-N 1 0 353.434 3.320 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843044777 730573354 /nfs/dbraw/zinc/57/33/54/730573354.db2.gz IYFYHTARGZTXTJ-SWLSCSKDSA-N 1 0 369.303 3.127 20 10 FGCDRO [NH3+]C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843048253 730573929 /nfs/dbraw/zinc/57/39/29/730573929.db2.gz GWVXQRGWDZMYQG-HNNXBMFYSA-N 1 0 352.320 3.220 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1-n1cncn1 ZINC000843057725 730575070 /nfs/dbraw/zinc/57/50/70/730575070.db2.gz HKTWJZZARLVIAI-UHFFFAOYSA-N 1 0 353.857 3.332 20 10 FGCDRO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000843129949 730589351 /nfs/dbraw/zinc/58/93/51/730589351.db2.gz VDSXIASYEVEGNX-HTQZYQBOSA-N 1 0 366.097 3.133 20 10 FGCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000843433338 730620830 /nfs/dbraw/zinc/62/08/30/730620830.db2.gz XSMIYQCGFFOREF-QGZVFWFLSA-N 1 0 352.356 3.046 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])c1O ZINC000844902265 730787151 /nfs/dbraw/zinc/78/71/51/730787151.db2.gz OHTKCDRZCLDSTJ-FZMZJTMJSA-N 1 0 357.292 3.113 20 10 FGCDRO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000845100586 730810260 /nfs/dbraw/zinc/81/02/60/730810260.db2.gz BJRBDEHRXGHWFU-KGLIPLIRSA-N 1 0 365.905 3.498 20 10 FGCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000845971057 730913470 /nfs/dbraw/zinc/91/34/70/730913470.db2.gz GXILUBUIJYYFLM-YNEHKIRRSA-N 1 0 357.397 3.419 20 10 FGCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1=O ZINC000846091258 730928115 /nfs/dbraw/zinc/92/81/15/730928115.db2.gz KVISZOVODIAAIM-QGZVFWFLSA-N 1 0 357.523 3.343 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000846167266 730933178 /nfs/dbraw/zinc/93/31/78/730933178.db2.gz VVRDRZLCFTXABW-GXTWGEPZSA-N 1 0 351.393 3.181 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)(F)CC1 ZINC000847073340 731016013 /nfs/dbraw/zinc/01/60/13/731016013.db2.gz FMUXCHOEYOQQRP-CQSZACIVSA-N 1 0 353.457 3.172 20 10 FGCDRO CCN1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848520172 731174844 /nfs/dbraw/zinc/17/48/44/731174844.db2.gz PNJVSSCYLKABNA-NSHDSACASA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)c1O ZINC000848527936 731175638 /nfs/dbraw/zinc/17/56/38/731175638.db2.gz AHZMIOYXWLPRLN-MDZLAQPJSA-N 1 0 357.292 3.297 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1O ZINC000848527528 731175715 /nfs/dbraw/zinc/17/57/15/731175715.db2.gz CCGUYMCOXZWEBG-SMDDNHRTSA-N 1 0 369.303 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1O ZINC000848532505 731176423 /nfs/dbraw/zinc/17/64/23/731176423.db2.gz ISFAISSOKCFDIL-GVXVVHGQSA-N 1 0 369.303 3.439 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000848535236 731177024 /nfs/dbraw/zinc/17/70/24/731177024.db2.gz FGMULXNBQQJJAV-CABZTGNLSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000848535797 731177487 /nfs/dbraw/zinc/17/74/87/731177487.db2.gz GWWWOMVRSABORY-VXNVDRBHSA-N 1 0 372.181 3.127 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)c1O ZINC000848550482 731179846 /nfs/dbraw/zinc/17/98/46/731179846.db2.gz NZDZZGMHIRFLRM-SDDRHHMPSA-N 1 0 358.276 3.487 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)c1O ZINC000848550481 731179886 /nfs/dbraw/zinc/17/98/86/731179886.db2.gz NZDZZGMHIRFLRM-GRYCIOLGSA-N 1 0 358.276 3.487 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)c1O ZINC000848551297 731180219 /nfs/dbraw/zinc/18/02/19/731180219.db2.gz IUECHGLYMCDDGN-QMTHXVAHSA-N 1 0 358.276 3.365 20 10 FGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350839 731251542 /nfs/dbraw/zinc/25/15/42/731251542.db2.gz YNHOGRQKONFKHB-CQSZACIVSA-N 1 0 353.304 3.366 20 10 FGCDRO Cc1nc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c1C ZINC000850163975 731327541 /nfs/dbraw/zinc/32/75/41/731327541.db2.gz JLDIGMYWIQLVCN-CQSZACIVSA-N 1 0 350.413 3.387 20 10 FGCDRO COc1cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850345008 731344895 /nfs/dbraw/zinc/34/48/95/731344895.db2.gz FWGFDNWOXQJEOD-UHFFFAOYSA-N 1 0 369.527 3.003 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(Br)o3)C2)cc1 ZINC000850346931 731345420 /nfs/dbraw/zinc/34/54/20/731345420.db2.gz ZQOHRAKQGMQHQK-LBPRGKRZSA-N 1 0 351.244 3.419 20 10 FGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000850407353 731353537 /nfs/dbraw/zinc/35/35/37/731353537.db2.gz FOLAEYYTHNFUMB-HXUWFJFHSA-N 1 0 350.478 3.347 20 10 FGCDRO CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1[O-] ZINC000850481704 731361404 /nfs/dbraw/zinc/36/14/04/731361404.db2.gz AUYWGGFNYKTNAS-IBGZPJMESA-N 1 0 350.478 3.463 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000850484041 731361712 /nfs/dbraw/zinc/36/17/12/731361712.db2.gz BFISUVLRSUONLB-DIOULYMOSA-N 1 0 358.276 3.247 20 10 FGCDRO COC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C1CCOCC1 ZINC000850494472 731363930 /nfs/dbraw/zinc/36/39/30/731363930.db2.gz RYBDXKJUPKUZLF-IAQYHMDHSA-N 1 0 358.276 3.247 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cc(Br)ccc1O ZINC000850499314 731364734 /nfs/dbraw/zinc/36/47/34/731364734.db2.gz MYINKENYELGILF-TVYUQYBPSA-N 1 0 351.248 3.493 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(Br)cc1O ZINC000850503815 731365867 /nfs/dbraw/zinc/36/58/67/731365867.db2.gz ZABBKUKKSXRFDB-IUNRRVLSSA-N 1 0 360.317 3.495 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000850520670 731369078 /nfs/dbraw/zinc/36/90/78/731369078.db2.gz FPEVLXAUUCBQEA-QPUJVOFHSA-N 1 0 366.202 3.238 20 10 FGCDRO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@@H]1COCCO1 ZINC000853558285 731722611 /nfs/dbraw/zinc/72/26/11/731722611.db2.gz GNBHNLCVTCEOOT-CQSZACIVSA-N 1 0 366.255 3.155 20 10 FGCDRO Fc1cc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)ccc1N1CCOCC1 ZINC000857903263 732167784 /nfs/dbraw/zinc/16/77/84/732167784.db2.gz ZKWHTOHGPRHCFR-MRXNPFEDSA-N 1 0 361.848 3.488 20 10 FGCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C(=O)N1CCCC[C@H]1C ZINC000858121805 732182796 /nfs/dbraw/zinc/18/27/96/732182796.db2.gz AHGYNIMFEKAMTE-VXGBXAGGSA-N 1 0 355.276 3.034 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000858135961 732184293 /nfs/dbraw/zinc/18/42/93/732184293.db2.gz IXZARSSHEZADPD-UHFFFAOYSA-N 1 0 364.239 3.490 20 10 FGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858244698 732196268 /nfs/dbraw/zinc/19/62/68/732196268.db2.gz FCCHAHYOORVEQN-INIZCTEOSA-N 1 0 362.857 3.049 20 10 FGCDRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2ccc(Br)cc2O)n1 ZINC000858591937 732229546 /nfs/dbraw/zinc/22/95/46/732229546.db2.gz NYCGFDNMUSODSF-RGZBUGHASA-N 1 0 368.231 3.027 20 10 FGCDRO C[S@](=O)C[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000862302966 732807099 /nfs/dbraw/zinc/80/70/99/732807099.db2.gz GTXQPGRLAOMQRZ-BTYIYWSLSA-N 1 0 368.296 3.364 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c1O ZINC000865675127 733250289 /nfs/dbraw/zinc/25/02/89/733250289.db2.gz UBJWZOKBNOJPFY-NSHDSACASA-N 1 0 374.275 3.042 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000872119690 735592105 /nfs/dbraw/zinc/59/21/05/735592105.db2.gz UPBVJWLJQPWGDP-IKKMQULASA-N 1 0 357.903 3.360 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(F)F)CC3)cc2)CC1 ZINC000872272692 735611212 /nfs/dbraw/zinc/61/12/12/735611212.db2.gz QLVXOPWLUVXNFW-SFHVURJKSA-N 1 0 354.441 3.158 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000876507062 736108838 /nfs/dbraw/zinc/10/88/38/736108838.db2.gz UXDDBAZZBXRBME-OWCLPIDISA-N 1 0 357.420 3.237 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822733 736730408 /nfs/dbraw/zinc/73/04/08/736730408.db2.gz HTOJZRMEPANIOQ-RHSMWYFYSA-N 1 0 358.404 3.065 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883256123 737542663 /nfs/dbraw/zinc/54/26/63/737542663.db2.gz OIUMSUHSJLXGFQ-HNNXBMFYSA-N 1 0 370.287 3.220 20 10 FGCDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCCOC1 ZINC000886355745 739248450 /nfs/dbraw/zinc/24/84/50/739248450.db2.gz NEQJGXMVDZLEIT-RDTXWAMCSA-N 1 0 351.487 3.230 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)[C@H]1CCCOC1 ZINC000886788777 739299690 /nfs/dbraw/zinc/29/96/90/739299690.db2.gz ISHIMQZSCKXEHQ-XUJVJEKNSA-N 1 0 358.276 3.247 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC23CCSCC3)[NH+](C)C)cc1 ZINC000891247845 739885970 /nfs/dbraw/zinc/88/59/70/739885970.db2.gz KTPZVZCUMPCHGD-QZTJIDSGSA-N 1 0 361.555 3.005 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891249567 739886619 /nfs/dbraw/zinc/88/66/19/739886619.db2.gz RNFZDSQCUPYBFH-NVXWUHKLSA-N 1 0 353.457 3.297 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C)(O)CC3)cc2F)C[C@H](C)O1 ZINC000892620531 740023927 /nfs/dbraw/zinc/02/39/27/740023927.db2.gz BJEIIISVIJQIDR-ZVXXOIICSA-N 1 0 350.478 3.223 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000894431993 742282837 /nfs/dbraw/zinc/28/28/37/742282837.db2.gz MFYWFWDDWZJNCN-UHFFFAOYSA-N 1 0 350.260 3.441 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c1O ZINC000897576837 742691367 /nfs/dbraw/zinc/69/13/67/742691367.db2.gz KPHQTNNCEUBACQ-LBPRGKRZSA-N 1 0 351.834 3.200 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1O ZINC000898720597 742825323 /nfs/dbraw/zinc/82/53/23/742825323.db2.gz MDPNVZNBOPQKEJ-AAEUAGOBSA-N 1 0 350.260 3.407 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1O ZINC000903433826 743850212 /nfs/dbraw/zinc/85/02/12/743850212.db2.gz FRWYHCUDBDOZSX-MWLCHTKSSA-N 1 0 369.252 3.124 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Cl)cc1O ZINC000903435481 743851051 /nfs/dbraw/zinc/85/10/51/743851051.db2.gz QYGAXTYZRPVHGG-MWLCHTKSSA-N 1 0 369.252 3.124 20 10 FGCDRO O=c1[nH]c2cccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)c2o1 ZINC000921551817 758742605 /nfs/dbraw/zinc/74/26/05/758742605.db2.gz QLTGTHCCNWZKFN-UHFFFAOYSA-N 1 0 355.463 3.376 20 10 FGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000922316366 758890865 /nfs/dbraw/zinc/89/08/65/758890865.db2.gz MFEOVSYKNYRZCF-OAHLLOKOSA-N 1 0 359.491 3.308 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1(Br)CC1 ZINC000924716922 759375624 /nfs/dbraw/zinc/37/56/24/759375624.db2.gz RRXAGMDTVZALTJ-LBPRGKRZSA-N 1 0 357.267 3.068 20 10 FGCDRO Cc1nonc1[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924904377 759414761 /nfs/dbraw/zinc/41/47/61/759414761.db2.gz CEYLATOSHRPFRY-LLVKDONJSA-N 1 0 352.385 3.299 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c1O ZINC000927156034 759909318 /nfs/dbraw/zinc/90/93/18/759909318.db2.gz LYERLLDCUIJBSX-GLQYFDAESA-N 1 0 370.287 3.044 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCNc2cnccn2)c1O ZINC000779028089 724382670 /nfs/dbraw/zinc/38/26/70/724382670.db2.gz WKMCHGGNHDORNU-NSHDSACASA-N 1 0 351.248 3.016 20 10 FGCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779051466 724384585 /nfs/dbraw/zinc/38/45/85/724384585.db2.gz HVGPLUGFXAWDDR-YPMHNXCESA-N 1 0 371.275 3.345 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C1(c3ccc(F)cc3F)CCOCC1)OCO2 ZINC000089803217 494367341 /nfs/dbraw/zinc/36/73/41/494367341.db2.gz OTSXPXMYKJDWKO-UHFFFAOYSA-N 1 0 363.360 3.195 20 10 FGCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079400631 494447992 /nfs/dbraw/zinc/44/79/92/494447992.db2.gz BBCJSKQCDOKUQU-UHFFFAOYSA-N 1 0 364.461 3.204 20 10 FGCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCCC3)cc1)CC2 ZINC000090395071 494461755 /nfs/dbraw/zinc/46/17/55/494461755.db2.gz RBCRKLGWBNELAN-WMZOPIPTSA-N 1 0 369.513 3.080 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000090779666 494496619 /nfs/dbraw/zinc/49/66/19/494496619.db2.gz BHVKWJODVUAFFL-JTSKRJEESA-N 1 0 352.478 3.008 20 10 FGCDRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000111235863 495052475 /nfs/dbraw/zinc/05/24/75/495052475.db2.gz WEIGATTYFRGCCG-HUUCEWRRSA-N 1 0 372.465 3.107 20 10 FGCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265577 495128528 /nfs/dbraw/zinc/12/85/28/495128528.db2.gz JOXKNQDQQLNASC-KBXCAEBGSA-N 1 0 373.884 3.325 20 10 FGCDRO C[C@H]1C[C@H](CNC(=O)N(C)Cc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC000119324360 495141906 /nfs/dbraw/zinc/14/19/06/495141906.db2.gz LVZBSOFJAIQNOY-PKOBYXMFSA-N 1 0 367.493 3.444 20 10 FGCDRO CCN(CC)Cc1nc(C2(NCc3ccc4c(c3)CCO4)CCCC2)no1 ZINC000124060609 495228465 /nfs/dbraw/zinc/22/84/65/495228465.db2.gz POVYCVXZYRWZAD-UHFFFAOYSA-N 1 0 370.497 3.405 20 10 FGCDRO Cc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(C)n1-c1ccccn1 ZINC000104405060 495282301 /nfs/dbraw/zinc/28/23/01/495282301.db2.gz GBQZXHHKZZRGSI-UHFFFAOYSA-N 1 0 352.482 3.190 20 10 FGCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000125390604 495436978 /nfs/dbraw/zinc/43/69/78/495436978.db2.gz HDRIRTSGNVOXHA-YCRPNKLZSA-N 1 0 374.456 3.055 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000120783428 495456632 /nfs/dbraw/zinc/45/66/32/495456632.db2.gz WHQWEMFQEHENII-VQTJNVASSA-N 1 0 358.574 3.211 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000179986124 495810666 /nfs/dbraw/zinc/81/06/66/495810666.db2.gz QMMQVUJVCZGCBI-FXAWDEMLSA-N 1 0 360.498 3.250 20 10 FGCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000183043311 495811342 /nfs/dbraw/zinc/81/13/42/495811342.db2.gz BWLPKWNKPVPUIA-UHFFFAOYSA-N 1 0 372.465 3.229 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186021792 495825057 /nfs/dbraw/zinc/82/50/57/495825057.db2.gz SSJJSURTVQHIFF-XHDPSFHLSA-N 1 0 356.388 3.085 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000183146377 495853838 /nfs/dbraw/zinc/85/38/38/495853838.db2.gz FRZIDMIDQGEBOX-BXKMTCNYSA-N 1 0 365.882 3.458 20 10 FGCDRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1O ZINC000186349816 495958789 /nfs/dbraw/zinc/95/87/89/495958789.db2.gz MBWDZYMHPAZYAR-FZKQIMNGSA-N 1 0 357.429 3.154 20 10 FGCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000183450675 495989404 /nfs/dbraw/zinc/98/94/04/495989404.db2.gz NDCOCJWRRHODDE-CYBMUJFWSA-N 1 0 368.433 3.267 20 10 FGCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000186441144 495999725 /nfs/dbraw/zinc/99/97/25/495999725.db2.gz VEJMWELPIMCRAC-NRFANRHFSA-N 1 0 367.493 3.033 20 10 FGCDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622432 496035670 /nfs/dbraw/zinc/03/56/70/496035670.db2.gz RNELZWMSMINJIH-OAHLLOKOSA-N 1 0 364.440 3.397 20 10 FGCDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161095650 496102429 /nfs/dbraw/zinc/10/24/29/496102429.db2.gz ZPELOYRNMNEPSJ-OXJNMPFZSA-N 1 0 358.457 3.437 20 10 FGCDRO COCCN1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187066442 496276900 /nfs/dbraw/zinc/27/69/00/496276900.db2.gz ASRAUQPFLQWSQP-ZDUSSCGKSA-N 1 0 371.319 3.225 20 10 FGCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)nc(C)n1 ZINC000162248492 496321587 /nfs/dbraw/zinc/32/15/87/496321587.db2.gz CEULMYATGBEJPH-INIZCTEOSA-N 1 0 353.514 3.479 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000153293218 496410285 /nfs/dbraw/zinc/41/02/85/496410285.db2.gz ARBVXMMGNRCKMW-UHFFFAOYSA-N 1 0 368.477 3.494 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000187371073 496415144 /nfs/dbraw/zinc/41/51/44/496415144.db2.gz ROAROXWGGVPZFE-ZWNOBZJWSA-N 1 0 350.260 3.394 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1O ZINC000184708693 496501984 /nfs/dbraw/zinc/50/19/84/496501984.db2.gz LYMCOARLVVDEPT-UHFFFAOYSA-N 1 0 374.868 3.466 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000184710716 496503273 /nfs/dbraw/zinc/50/32/73/496503273.db2.gz RGVPZBPWRDLJES-HNNXBMFYSA-N 1 0 374.868 3.193 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000163783169 496556952 /nfs/dbraw/zinc/55/69/52/496556952.db2.gz WDKVVIYVVRZTLW-MRXNPFEDSA-N 1 0 355.482 3.070 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000184909491 496581997 /nfs/dbraw/zinc/58/19/97/496581997.db2.gz RVLNVTHGZTXLFG-QAPCUYQASA-N 1 0 360.454 3.026 20 10 FGCDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000185006000 496618667 /nfs/dbraw/zinc/61/86/67/496618667.db2.gz BYZRECMGKUHDDP-QGZVFWFLSA-N 1 0 358.507 3.239 20 10 FGCDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccc(N)cc1 ZINC000169121146 496714823 /nfs/dbraw/zinc/71/48/23/496714823.db2.gz LEXYPSPQBTZMSW-AQKKSAQBSA-N 1 0 351.494 3.084 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000185322408 496729004 /nfs/dbraw/zinc/72/90/04/496729004.db2.gz XFDUKFWJBGIDNO-NEPJUHHUSA-N 1 0 368.886 3.366 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273359598 496782886 /nfs/dbraw/zinc/78/28/86/496782886.db2.gz AFKQCBVPSTUZLB-YWZLYKJASA-N 1 0 365.477 3.498 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000273429322 496804392 /nfs/dbraw/zinc/80/43/92/496804392.db2.gz VFTKDJQEOMZMNF-INIZCTEOSA-N 1 0 354.450 3.024 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC000273566771 496843047 /nfs/dbraw/zinc/84/30/47/496843047.db2.gz JRPBYQWXKUWHPP-CQSZACIVSA-N 1 0 358.438 3.204 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000273591930 496847911 /nfs/dbraw/zinc/84/79/11/496847911.db2.gz PNCUFEDXIILKSY-DAYGRLMNSA-N 1 0 365.474 3.088 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000273591934 496848205 /nfs/dbraw/zinc/84/82/05/496848205.db2.gz PNCUFEDXIILKSY-VKJFTORMSA-N 1 0 365.474 3.088 20 10 FGCDRO Cc1cccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1O ZINC000191684876 496854286 /nfs/dbraw/zinc/85/42/86/496854286.db2.gz KDKZRXTZOKMOCZ-UHFFFAOYSA-N 1 0 372.416 3.283 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000273623280 496856060 /nfs/dbraw/zinc/85/60/60/496856060.db2.gz ZUMRMWLVVCLWCA-LIRRHRJNSA-N 1 0 351.450 3.190 20 10 FGCDRO CCOc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1O ZINC000269135673 496879120 /nfs/dbraw/zinc/87/91/20/496879120.db2.gz KBBPPPNRITXQDE-UHFFFAOYSA-N 1 0 370.497 3.328 20 10 FGCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccncc1 ZINC000191904059 496926919 /nfs/dbraw/zinc/92/69/19/496926919.db2.gz YWFPCTWATJRLGQ-GOSISDBHSA-N 1 0 364.829 3.017 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000189101794 497009121 /nfs/dbraw/zinc/00/91/21/497009121.db2.gz WJOISHOLTURTCV-HNAYVOBHSA-N 1 0 354.450 3.161 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000248480901 497024289 /nfs/dbraw/zinc/02/42/89/497024289.db2.gz AUVPTIZINMCYNY-TWOQFEAHSA-N 1 0 355.482 3.357 20 10 FGCDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)CC1 ZINC000270139562 497065442 /nfs/dbraw/zinc/06/54/42/497065442.db2.gz QQIXZVCINRBVPM-HXUWFJFHSA-N 1 0 370.541 3.160 20 10 FGCDRO COc1cccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000271061428 497255928 /nfs/dbraw/zinc/25/59/28/497255928.db2.gz HBMVPIVVMMXPDZ-UHFFFAOYSA-N 1 0 350.459 3.138 20 10 FGCDRO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000193137606 497311226 /nfs/dbraw/zinc/31/12/26/497311226.db2.gz DHZNQJXGUNIKLC-HKUYNNGSSA-N 1 0 366.461 3.225 20 10 FGCDRO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)c(=O)n1C ZINC000279435897 497438646 /nfs/dbraw/zinc/43/86/46/497438646.db2.gz HDQDMIUYYVXZNN-LLVKDONJSA-N 1 0 351.244 3.013 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194426326 497662447 /nfs/dbraw/zinc/66/24/47/497662447.db2.gz SZUWYYMPCDKVOL-SFHVURJKSA-N 1 0 353.466 3.056 20 10 FGCDRO O=C(NCc1ccccc1O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000263697388 497809429 /nfs/dbraw/zinc/80/94/29/497809429.db2.gz HVGCHZBWNLJPOZ-UHFFFAOYSA-N 1 0 359.495 3.165 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000280890587 497938091 /nfs/dbraw/zinc/93/80/91/497938091.db2.gz FBXZKEYTWYLHLH-OCCSQVGLSA-N 1 0 369.303 3.372 20 10 FGCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000296241973 497969162 /nfs/dbraw/zinc/96/91/62/497969162.db2.gz COOMRDWCMQWVOR-URKNILKWSA-N 1 0 356.422 3.145 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364511904 497993971 /nfs/dbraw/zinc/99/39/71/497993971.db2.gz QYMIFMCZQCNVCR-GOSISDBHSA-N 1 0 350.422 3.010 20 10 FGCDRO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000364725130 498115106 /nfs/dbraw/zinc/11/51/06/498115106.db2.gz SSLOISLZPXVGMS-QGZVFWFLSA-N 1 0 358.482 3.015 20 10 FGCDRO COCCOC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CCOCC1 ZINC000296607126 498118537 /nfs/dbraw/zinc/11/85/37/498118537.db2.gz WAIAKICCNRKXGR-INIZCTEOSA-N 1 0 359.466 3.408 20 10 FGCDRO COc1cccc(C[NH2+]Cc2ccc(OC(=O)C3CC3)c(OC)c2)c1O ZINC000289434975 498145923 /nfs/dbraw/zinc/14/59/23/498145923.db2.gz LGTOWIQTCPJOAO-UHFFFAOYSA-N 1 0 357.406 3.015 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nnc(C)[nH]4)C3)cc2)CC1 ZINC000296679848 498149285 /nfs/dbraw/zinc/14/92/85/498149285.db2.gz BARLCDSAJWLPJZ-GOSISDBHSA-N 1 0 369.513 3.108 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3ccnc(Cl)c3)CC2)cc1 ZINC000301624110 498192693 /nfs/dbraw/zinc/19/26/93/498192693.db2.gz OZDBRMFJVWVDPJ-UHFFFAOYSA-N 1 0 360.889 3.368 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000360345163 498268183 /nfs/dbraw/zinc/26/81/83/498268183.db2.gz PSAUNFGKSUZTNI-OAHLLOKOSA-N 1 0 352.862 3.031 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](O)c1ccccc1 ZINC000289855371 498325645 /nfs/dbraw/zinc/32/56/45/498325645.db2.gz BKPOMWSIRWREDE-MRUHUIDDSA-N 1 0 358.457 3.435 20 10 FGCDRO COC1CCN(c2ccc(C[N@H+](CCO)Cc3ccccc3)cc2)CC1 ZINC000297136025 498328706 /nfs/dbraw/zinc/32/87/06/498328706.db2.gz NHYMDZIPAVMGIO-UHFFFAOYSA-N 1 0 354.494 3.296 20 10 FGCDRO Cc1nocc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000293435043 498384793 /nfs/dbraw/zinc/38/47/93/498384793.db2.gz BOAPENHYMHHSBI-UHFFFAOYSA-N 1 0 355.360 3.128 20 10 FGCDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC ZINC000290099272 498428442 /nfs/dbraw/zinc/42/84/42/498428442.db2.gz HWFLDHDBIAADOU-QVKFZJNVSA-N 1 0 359.466 3.362 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000293685642 498453185 /nfs/dbraw/zinc/45/31/85/498453185.db2.gz KQTNBOCKOZSXSW-HNNXBMFYSA-N 1 0 362.495 3.110 20 10 FGCDRO O[C@H]1[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC12CCOCC2 ZINC000282699109 498617103 /nfs/dbraw/zinc/61/71/03/498617103.db2.gz LWKVNHIFVQJMNO-CTNGQTDRSA-N 1 0 358.526 3.334 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287612028 498813601 /nfs/dbraw/zinc/81/36/01/498813601.db2.gz JIMJXVQNGJTIIN-MLGOLLRUSA-N 1 0 360.329 3.376 20 10 FGCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287661702 498829793 /nfs/dbraw/zinc/82/97/93/498829793.db2.gz RRDWZVQZSQQOED-FXAWDEMLSA-N 1 0 356.514 3.055 20 10 FGCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(F)cn1 ZINC000287683938 498835771 /nfs/dbraw/zinc/83/57/71/498835771.db2.gz MTQNMVOIMLGLMW-OAHLLOKOSA-N 1 0 373.472 3.289 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287798862 498866944 /nfs/dbraw/zinc/86/69/44/498866944.db2.gz TZSIMEDTXNRADO-BLLLJJGKSA-N 1 0 360.329 3.376 20 10 FGCDRO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366319932 498873492 /nfs/dbraw/zinc/87/34/92/498873492.db2.gz CTYNGYARXPIJEZ-SUMWQHHRSA-N 1 0 373.419 3.045 20 10 FGCDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)c1O ZINC000283827756 498995083 /nfs/dbraw/zinc/99/50/83/498995083.db2.gz DWSQDXPGLDJAGM-CQSZACIVSA-N 1 0 363.479 3.435 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c(O)c1C ZINC000363860714 499028683 /nfs/dbraw/zinc/02/86/83/499028683.db2.gz GUGBZXYZXIXYIH-GTPINHCMSA-N 1 0 366.527 3.006 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589109 499149749 /nfs/dbraw/zinc/14/97/49/499149749.db2.gz CGPAUWVGGLODPG-LSDHHAIUSA-N 1 0 374.485 3.175 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323144 499181551 /nfs/dbraw/zinc/18/15/51/499181551.db2.gz ZNWYBBAAVXRTIO-HOTGVXAUSA-N 1 0 356.470 3.161 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000370374135 499214186 /nfs/dbraw/zinc/21/41/86/499214186.db2.gz MLNSJBCMTXBNQS-PKOBYXMFSA-N 1 0 352.478 3.442 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000370374134 499214215 /nfs/dbraw/zinc/21/42/15/499214215.db2.gz MLNSJBCMTXBNQS-MJGOQNOKSA-N 1 0 352.478 3.442 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1cc2c(cc1O)CCCC2 ZINC000370373333 499214274 /nfs/dbraw/zinc/21/42/74/499214274.db2.gz IPMORLPBEIHGHB-HNAYVOBHSA-N 1 0 365.477 3.231 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000368021593 499256188 /nfs/dbraw/zinc/25/61/88/499256188.db2.gz ZHIDNZLMEUWFSC-MRXNPFEDSA-N 1 0 359.495 3.456 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368112186 499265278 /nfs/dbraw/zinc/26/52/78/499265278.db2.gz CBAFOXDKFJMFOW-LEWJYISDSA-N 1 0 355.526 3.271 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1OCCc2sccc21 ZINC000368372077 499289878 /nfs/dbraw/zinc/28/98/78/499289878.db2.gz ZRWMEUAADVYEQG-MGPUTAFESA-N 1 0 358.507 3.377 20 10 FGCDRO CC(C)c1nnc([C@@H]2CC23CC[NH+](Cc2cc4c(cc2O)OCO4)CC3)o1 ZINC000371334115 499312206 /nfs/dbraw/zinc/31/22/06/499312206.db2.gz XGJQHANOHUHRRX-AWEZNQCLSA-N 1 0 371.437 3.397 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000371458518 499329549 /nfs/dbraw/zinc/32/95/49/499329549.db2.gz QOXWYSTXCDTWCG-QUCCMNQESA-N 1 0 365.521 3.494 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3cnn(CCOC)c32)c(O)c1 ZINC000368857570 499340218 /nfs/dbraw/zinc/34/02/18/499340218.db2.gz WJZUPIXWSYQIQJ-SFHVURJKSA-N 1 0 359.470 3.191 20 10 FGCDRO COC(=O)c1ccnc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)c1 ZINC000371864777 499373288 /nfs/dbraw/zinc/37/32/88/499373288.db2.gz ODHHZQDJVSWMHE-ZDUSSCGKSA-N 1 0 373.428 3.033 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375301715 499504831 /nfs/dbraw/zinc/50/48/31/499504831.db2.gz HLZMPIYXEZPRAW-INIZCTEOSA-N 1 0 356.260 3.166 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000377668958 499717524 /nfs/dbraw/zinc/71/75/24/499717524.db2.gz GIWNCNRWACICMP-SJORKVTESA-N 1 0 365.433 3.028 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@@H](C)C2)C1 ZINC000436036066 501061213 /nfs/dbraw/zinc/06/12/13/501061213.db2.gz WZIJITFBBVNAQS-IRXDYDNUSA-N 1 0 369.509 3.092 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCSC2)C1 ZINC000471431830 502027266 /nfs/dbraw/zinc/02/72/66/502027266.db2.gz GMCBKIZVLLQKIH-HNNXBMFYSA-N 1 0 357.523 3.030 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccncc2)C1 ZINC000515031659 503254193 /nfs/dbraw/zinc/25/41/93/503254193.db2.gz YGWXWZYBBVFLJC-UHFFFAOYSA-N 1 0 362.477 3.119 20 10 FGCDRO COc1cccc([C@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2(C)C)c1 ZINC000530101546 503837241 /nfs/dbraw/zinc/83/72/41/503837241.db2.gz IQGHGJXXWOAIPH-QUCCMNQESA-N 1 0 369.461 3.452 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)c1O ZINC000527771533 503936594 /nfs/dbraw/zinc/93/65/94/503936594.db2.gz GUDHEFDZVWJNEC-GOSISDBHSA-N 1 0 356.466 3.164 20 10 FGCDRO Cc1cccc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1O ZINC000529663163 504754228 /nfs/dbraw/zinc/75/42/28/504754228.db2.gz XQNDHZKAQQPVKT-UHFFFAOYSA-N 1 0 371.481 3.432 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@]3(C)CCC[NH2+]C3)ccc21 ZINC000567057473 505350800 /nfs/dbraw/zinc/35/08/00/505350800.db2.gz FBCZWSVFSOZKKQ-OAQYLSRUSA-N 1 0 357.498 3.024 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)ccc21 ZINC000590818188 506977945 /nfs/dbraw/zinc/97/79/45/506977945.db2.gz WCMUNYUVADVRKX-INIZCTEOSA-N 1 0 371.525 3.365 20 10 FGCDRO CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671863 600717976 /nfs/dbraw/zinc/71/79/76/600717976.db2.gz QAJFDFLFOLXJSW-HNNXBMFYSA-N 1 0 356.466 3.407 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821197149 607111313 /nfs/dbraw/zinc/11/13/13/607111313.db2.gz GUNATHIJIPHUBB-UHFFFAOYSA-N 1 0 350.470 3.345 20 10 FGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824592384 609143917 /nfs/dbraw/zinc/14/39/17/609143917.db2.gz MSAIAHGXIXJRFL-JTQLQIEISA-N 1 0 364.475 3.295 20 10 FGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824592386 609144107 /nfs/dbraw/zinc/14/41/07/609144107.db2.gz MSAIAHGXIXJRFL-SNVBAGLBSA-N 1 0 364.475 3.295 20 10 FGCDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090811412 700407581 /nfs/dbraw/zinc/40/75/81/700407581.db2.gz AEHCVVOMGVTJLJ-KXBFYZLASA-N 1 0 352.494 3.356 20 10 FGCDRO CCOc1cccc(C[NH+]2CCN(Cc3csc(CC)n3)CC2)c1O ZINC000092504834 700436753 /nfs/dbraw/zinc/43/67/53/700436753.db2.gz YVNDMQIVVWMPEO-UHFFFAOYSA-N 1 0 361.511 3.128 20 10 FGCDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccccc1O ZINC000109773326 700536576 /nfs/dbraw/zinc/53/65/76/700536576.db2.gz NQTMIKGKBYDZFV-NSHDSACASA-N 1 0 363.801 3.413 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000114770705 700581695 /nfs/dbraw/zinc/58/16/95/700581695.db2.gz CRCBKTVEIKCUSH-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000132308789 700826093 /nfs/dbraw/zinc/82/60/93/700826093.db2.gz WWIYXQYBHSUYSD-GFCCVEGCSA-N 1 0 356.538 3.380 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000153731773 705010163 /nfs/dbraw/zinc/01/01/63/705010163.db2.gz KBYIMBFMAKMZPW-IBGZPJMESA-N 1 0 361.555 3.073 20 10 FGCDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000160547756 705256331 /nfs/dbraw/zinc/25/63/31/705256331.db2.gz MFZPKBATQKAVCY-HNNXBMFYSA-N 1 0 361.511 3.365 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000171409023 705383828 /nfs/dbraw/zinc/38/38/28/705383828.db2.gz DQZWVLNUGJIEML-DOMZBBRYSA-N 1 0 363.483 3.125 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1C ZINC000172917182 705436096 /nfs/dbraw/zinc/43/60/96/705436096.db2.gz JPWMJMCGSZUNMD-UHFFFAOYSA-N 1 0 354.479 3.336 20 10 FGCDRO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(O)c1O ZINC000177677414 705634644 /nfs/dbraw/zinc/63/46/44/705634644.db2.gz NCRSEXQCPKAGPC-UHFFFAOYSA-N 1 0 358.463 3.207 20 10 FGCDRO CC(C)C[NH+]1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000177746654 705637710 /nfs/dbraw/zinc/63/77/10/705637710.db2.gz GDCOLZGUINPXEA-UHFFFAOYSA-N 1 0 356.561 3.045 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCSc3ccccc32)c1 ZINC000182362723 705837460 /nfs/dbraw/zinc/83/74/60/705837460.db2.gz XNPJMOPQLLGAAV-CYBMUJFWSA-N 1 0 358.463 3.190 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000182918661 705869126 /nfs/dbraw/zinc/86/91/26/705869126.db2.gz MHDVWTDPDLFZOD-WMZOPIPTSA-N 1 0 356.507 3.117 20 10 FGCDRO COc1cc(N2CC[NH+](Cc3ccc(C)s3)CC2)cc(OC)c1OC ZINC000184753853 712675909 /nfs/dbraw/zinc/67/59/09/712675909.db2.gz QYBRFMSXGCDPNY-UHFFFAOYSA-N 1 0 362.495 3.405 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1O ZINC000382731956 713980463 /nfs/dbraw/zinc/98/04/63/713980463.db2.gz LOBKUKTUAMRQNV-AATRIKPKSA-N 1 0 356.850 3.225 20 10 FGCDRO COc1ccc(Br)c(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000725849505 722424806 /nfs/dbraw/zinc/42/48/06/722424806.db2.gz PCACUDKJRLQJQF-UHFFFAOYSA-N 1 0 366.211 3.182 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]Cc1cc(Cl)c3c(c1)OCCCO3)OCO2 ZINC000727468991 722444808 /nfs/dbraw/zinc/44/48/08/722444808.db2.gz RBHFSJWNSASFFC-UHFFFAOYSA-N 1 0 363.797 3.225 20 10 FGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncnc3[nH]ccc32)C1 ZINC000732049033 722481036 /nfs/dbraw/zinc/48/10/36/722481036.db2.gz LUOLGICTBLZHLI-CQSZACIVSA-N 1 0 357.845 3.393 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OCC(F)(F)F ZINC000732233089 722482878 /nfs/dbraw/zinc/48/28/78/722482878.db2.gz NYCXALGVWQVSAN-LBPRGKRZSA-N 1 0 366.767 3.299 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000733326311 722495733 /nfs/dbraw/zinc/49/57/33/722495733.db2.gz WGRYZWBGSYPWTD-CYBMUJFWSA-N 1 0 365.474 3.114 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)c(C)s3)CC2)cc1 ZINC000741746388 722548718 /nfs/dbraw/zinc/54/87/18/722548718.db2.gz HBZAASQQOZHHIP-UHFFFAOYSA-N 1 0 360.527 3.393 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1O ZINC000753576225 722905372 /nfs/dbraw/zinc/90/53/72/722905372.db2.gz PROHMKOPOXQXPV-CYBMUJFWSA-N 1 0 370.287 3.412 20 10 FGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CS1 ZINC000754144881 722930041 /nfs/dbraw/zinc/93/00/41/722930041.db2.gz QZHQBDYUWJLPBB-LMMKCTJWSA-N 1 0 361.555 3.008 20 10 FGCDRO Cc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000756040524 722960101 /nfs/dbraw/zinc/96/01/01/722960101.db2.gz AIFSXGXDXAVSLA-UHFFFAOYSA-N 1 0 360.523 3.317 20 10 FGCDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cc1 ZINC000756396525 722963892 /nfs/dbraw/zinc/96/38/92/722963892.db2.gz OIZYEHWWVQJZAD-NSHDSACASA-N 1 0 363.255 3.365 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(Br)cc1O ZINC000756475072 722965258 /nfs/dbraw/zinc/96/52/58/722965258.db2.gz IEJKLTGKIYCGMR-GFCCVEGCSA-N 1 0 363.255 3.122 20 10 FGCDRO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(Br)cc1O ZINC000756589849 722967297 /nfs/dbraw/zinc/96/72/97/722967297.db2.gz BQJYYLAAFQXNAW-GFCCVEGCSA-N 1 0 362.267 3.335 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(Br)cc1O ZINC000756661669 722968402 /nfs/dbraw/zinc/96/84/02/722968402.db2.gz SLUNMNFXCRRMOP-VXGBXAGGSA-N 1 0 354.244 3.250 20 10 FGCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(=O)N1CCCC1 ZINC000756703551 722968836 /nfs/dbraw/zinc/96/88/36/722968836.db2.gz DQYNABZCSYZRPM-WBMJQRKESA-N 1 0 369.303 3.452 20 10 FGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCCO1 ZINC000758498787 722990740 /nfs/dbraw/zinc/99/07/40/722990740.db2.gz NLEOMZCWELYSKR-IBGZPJMESA-N 1 0 350.478 3.347 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000758528494 722991138 /nfs/dbraw/zinc/99/11/38/722991138.db2.gz OQANRPWPTOZYLP-OAHLLOKOSA-N 1 0 364.283 3.404 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1cccc(Br)c1 ZINC000758529322 722991224 /nfs/dbraw/zinc/99/12/24/722991224.db2.gz UROKWRXFDVMNMX-CQSZACIVSA-N 1 0 350.256 3.096 20 10 FGCDRO C[C@@H]1CCC[C@](CNC(=O)NCCCSc2nccs2)([NH+](C)C)C1 ZINC000759567473 723009403 /nfs/dbraw/zinc/00/94/03/723009403.db2.gz HMFLMPAMSHVKQH-PBHICJAKSA-N 1 0 370.588 3.435 20 10 FGCDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCSc1nccs1 ZINC000759581981 723010011 /nfs/dbraw/zinc/01/00/11/723010011.db2.gz ZBKNFFZSUYERIP-KBPBESRZSA-N 1 0 356.561 3.187 20 10 FGCDRO CN(Cc1ncc(Br)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223867 723134532 /nfs/dbraw/zinc/13/45/32/723134532.db2.gz SUSLCXZVJDOIJF-UHFFFAOYSA-N 1 0 370.316 3.482 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@]12CCCO2 ZINC000761225605 723134617 /nfs/dbraw/zinc/13/46/17/723134617.db2.gz JWMRAVDERDMFHO-ZMSDIMECSA-N 1 0 370.287 3.279 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000792193133 723320196 /nfs/dbraw/zinc/32/01/96/723320196.db2.gz RAUMCDLNCPLKEZ-GFCCVEGCSA-N 1 0 371.811 3.273 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNc3cc(C(F)(F)F)ccn3)cc2)CC1 ZINC000792686083 723356547 /nfs/dbraw/zinc/35/65/47/723356547.db2.gz RWZOWEJWUMLOCZ-UHFFFAOYSA-N 1 0 350.388 3.464 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)c(C(F)(F)F)c1 ZINC000793042763 723395563 /nfs/dbraw/zinc/39/55/63/723395563.db2.gz KAGSTONACIRKKV-UHFFFAOYSA-N 1 0 361.408 3.386 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000793366097 723430714 /nfs/dbraw/zinc/43/07/14/723430714.db2.gz QKSSDBWQFZRLGA-HXUWFJFHSA-N 1 0 350.478 3.442 20 10 FGCDRO C[C@@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000765512981 723519323 /nfs/dbraw/zinc/51/93/23/723519323.db2.gz LEOXRCUTHOSTAH-OAHLLOKOSA-N 1 0 357.523 3.440 20 10 FGCDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977932 723549471 /nfs/dbraw/zinc/54/94/71/723549471.db2.gz KPOHKWCBHZMNCB-UXHICEINSA-N 1 0 364.555 3.226 20 10 FGCDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981582 723549959 /nfs/dbraw/zinc/54/99/59/723549959.db2.gz XAEBATMPXNRJHR-AEFFLSMTSA-N 1 0 352.544 3.226 20 10 FGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1cc(F)c(F)c(F)c1 ZINC000767712171 723630614 /nfs/dbraw/zinc/63/06/14/723630614.db2.gz ORIMRULUNSVYBR-NSHDSACASA-N 1 0 359.775 3.404 20 10 FGCDRO O[C@]1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCSC1 ZINC000796317690 723632672 /nfs/dbraw/zinc/63/26/72/723632672.db2.gz YVZZKBTYEGNWFE-NRFANRHFSA-N 1 0 354.519 3.207 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000769331636 723682648 /nfs/dbraw/zinc/68/26/48/723682648.db2.gz VBJVBLKGUKLKFE-HNNXBMFYSA-N 1 0 369.303 3.224 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000769387146 723683959 /nfs/dbraw/zinc/68/39/59/723683959.db2.gz JBOYAMKZDKPXLN-LJQANCHMSA-N 1 0 360.885 3.205 20 10 FGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C ZINC000769466637 723686445 /nfs/dbraw/zinc/68/64/45/723686445.db2.gz OQCGKUYQRHIKLR-NWDGAFQWSA-N 1 0 357.292 3.078 20 10 FGCDRO CCc1nn(C)cc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000770735475 723720310 /nfs/dbraw/zinc/72/03/10/723720310.db2.gz VKSPYAOZXXFAFR-KRWDZBQOSA-N 1 0 362.905 3.096 20 10 FGCDRO O=C(C[C@H]1CCCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771057409 723726803 /nfs/dbraw/zinc/72/68/03/723726803.db2.gz JCAIDQVUEAVHOD-DLBZAZTESA-N 1 0 366.889 3.085 20 10 FGCDRO CCC1(O)CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000772466148 723760161 /nfs/dbraw/zinc/76/01/61/723760161.db2.gz IDJDVDRJNZWJKO-FVWXCPNNSA-N 1 0 350.478 3.397 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000775361189 723985419 /nfs/dbraw/zinc/98/54/19/723985419.db2.gz BCDRTYZBOAIXRY-UHFFFAOYSA-N 1 0 356.344 3.069 20 10 FGCDRO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1O ZINC000775490297 723995214 /nfs/dbraw/zinc/99/52/14/723995214.db2.gz VPKKZAHSCMIDFU-FUHWJXTLSA-N 1 0 370.946 3.294 20 10 FGCDRO CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1O ZINC000775490298 723995298 /nfs/dbraw/zinc/99/52/98/723995298.db2.gz VPKKZAHSCMIDFU-SJLPKXTDSA-N 1 0 370.946 3.294 20 10 FGCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775491247 723995603 /nfs/dbraw/zinc/99/56/03/723995603.db2.gz DNGPOZAMFNFWMD-INIZCTEOSA-N 1 0 374.934 3.291 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000775521528 723997873 /nfs/dbraw/zinc/99/78/73/723997873.db2.gz YFKSMMDISFKSCP-NEPJUHHUSA-N 1 0 350.768 3.250 20 10 FGCDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000775664730 724019228 /nfs/dbraw/zinc/01/92/28/724019228.db2.gz UVBWZECXVHJPFK-OAHLLOKOSA-N 1 0 369.303 3.296 20 10 FGCDRO COc1ccc(O)c(C[NH+]2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000775692611 724025993 /nfs/dbraw/zinc/02/59/93/724025993.db2.gz ZJKRVRRUUDBIMH-KBPBESRZSA-N 1 0 350.459 3.231 20 10 FGCDRO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776775915 724181785 /nfs/dbraw/zinc/18/17/85/724181785.db2.gz QJXMULBIMFIOLK-CQSZACIVSA-N 1 0 373.254 3.346 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000778197170 724309837 /nfs/dbraw/zinc/30/98/37/724309837.db2.gz AVGUXYODHNKRDI-AWEZNQCLSA-N 1 0 351.466 3.238 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1O)[C@@H]1CCCO1 ZINC000788622316 725076507 /nfs/dbraw/zinc/07/65/07/725076507.db2.gz AMWNIRNISMDBQM-UGFHNGPFSA-N 1 0 358.276 3.308 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(O)c1 ZINC000788672908 725080242 /nfs/dbraw/zinc/08/02/42/725080242.db2.gz UBCWYNLVEVEJIL-CQSZACIVSA-N 1 0 368.524 3.042 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806138323 725117561 /nfs/dbraw/zinc/11/75/61/725117561.db2.gz UBUNLHDKDXYZHC-QAPCUYQASA-N 1 0 353.938 3.360 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000806179484 725119774 /nfs/dbraw/zinc/11/97/74/725119774.db2.gz RWMREUJKJRTGDC-OCCSQVGLSA-N 1 0 365.271 3.285 20 10 FGCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808682243 725213310 /nfs/dbraw/zinc/21/33/10/725213310.db2.gz PGSGLHFHVCUYKN-ZDUSSCGKSA-N 1 0 362.857 3.330 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1O ZINC000808713052 725214526 /nfs/dbraw/zinc/21/45/26/725214526.db2.gz DXXSEVPCFOKKTF-CQSZACIVSA-N 1 0 361.873 3.436 20 10 FGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc(Br)ccc1O ZINC000808729864 725215108 /nfs/dbraw/zinc/21/51/08/725215108.db2.gz QLTNXMQXNNHVDE-RMLVOYDJSA-N 1 0 364.239 3.300 20 10 FGCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639630 725255031 /nfs/dbraw/zinc/25/50/31/725255031.db2.gz MOGNNCPAKBKYID-GKVSMKOHSA-N 1 0 356.535 3.448 20 10 FGCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2O)oc1C ZINC000809712879 725261599 /nfs/dbraw/zinc/26/15/99/725261599.db2.gz GGPVNEBNKDFTGD-UHFFFAOYSA-N 1 0 354.200 3.133 20 10 FGCDRO COc1cc(C[NH2+]Cc2cc(Br)ccc2O)cc2c1OCO2 ZINC000809712205 725261643 /nfs/dbraw/zinc/26/16/43/725261643.db2.gz FUCVFXXIQMFRAX-UHFFFAOYSA-N 1 0 366.211 3.182 20 10 FGCDRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809738138 725263964 /nfs/dbraw/zinc/26/39/64/725263964.db2.gz QTRSKYSTNBTQPT-MRXNPFEDSA-N 1 0 357.901 3.033 20 10 FGCDRO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(Br)c3[O-])C2)CC1 ZINC000809756604 725265776 /nfs/dbraw/zinc/26/57/76/725265776.db2.gz TWGQUVOGRHMVFO-CQSZACIVSA-N 1 0 353.304 3.318 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000810252227 725300059 /nfs/dbraw/zinc/30/00/59/725300059.db2.gz AMPBKARKTIRIGT-UONOGXRCSA-N 1 0 360.889 3.108 20 10 FGCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000812782213 726811038 /nfs/dbraw/zinc/81/10/38/726811038.db2.gz RAJRUNNWBGVHQC-SFHVURJKSA-N 1 0 362.267 3.291 20 10 FGCDRO CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815559404 727083853 /nfs/dbraw/zinc/08/38/53/727083853.db2.gz FZCJGGLNMSKOSR-ZIAGYGMSSA-N 1 0 359.436 3.088 20 10 FGCDRO C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816535799 727173118 /nfs/dbraw/zinc/17/31/18/727173118.db2.gz ALWCORGGPAVUCJ-UHFFFAOYSA-N 1 0 352.837 3.415 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816549014 727174267 /nfs/dbraw/zinc/17/42/67/727174267.db2.gz AGMYOWGENFFYLI-DYVFJYSZSA-N 1 0 358.885 3.411 20 10 FGCDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816574925 727177055 /nfs/dbraw/zinc/17/70/55/727177055.db2.gz WVYYRDZLEFCLQA-AWEZNQCLSA-N 1 0 352.356 3.046 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000816630750 727182301 /nfs/dbraw/zinc/18/23/01/727182301.db2.gz QIESOFMLPQXQHI-CQSZACIVSA-N 1 0 356.260 3.043 20 10 FGCDRO Fc1cc(C[NH2+]C[C@H]2CC23CCSCC3)ccc1N1CCOCC1 ZINC000817409773 727248022 /nfs/dbraw/zinc/24/80/22/727248022.db2.gz FRULQVWGVNWVQL-MRXNPFEDSA-N 1 0 350.503 3.285 20 10 FGCDRO COC1([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCCC1 ZINC000817590033 727268947 /nfs/dbraw/zinc/26/89/47/727268947.db2.gz SLXJIQOGZIPBKD-CQSZACIVSA-N 1 0 354.441 3.239 20 10 FGCDRO C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817899387 727287489 /nfs/dbraw/zinc/28/74/89/727287489.db2.gz LMLVUBMZWHOHQS-HDMKZQKVSA-N 1 0 353.457 3.377 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000818226255 727302447 /nfs/dbraw/zinc/30/24/47/727302447.db2.gz NQSIHCBBKFRQAC-UHFFFAOYSA-N 1 0 366.552 3.299 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1F ZINC000818964447 727331649 /nfs/dbraw/zinc/33/16/49/727331649.db2.gz WMGVEXRGYCVBCT-IBGZPJMESA-N 1 0 364.461 3.341 20 10 FGCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819290553 727365048 /nfs/dbraw/zinc/36/50/48/727365048.db2.gz IMHJKRNHYOUHBQ-WBVHZDCISA-N 1 0 354.922 3.453 20 10 FGCDRO COc1ccc(C[N@H+](CCO)Cc2cc(Cl)c(C)cc2O)c(OC)c1 ZINC000824801920 729359417 /nfs/dbraw/zinc/35/94/17/729359417.db2.gz GRKQMLPBAKKPLY-UHFFFAOYSA-N 1 0 365.857 3.366 20 10 FGCDRO CC[N@H+](Cc1cnn2c1CCC2)Cc1cc(Br)ccc1O ZINC000824913502 729364732 /nfs/dbraw/zinc/36/47/32/729364732.db2.gz UUTUTLYLFHOCBV-UHFFFAOYSA-N 1 0 350.260 3.320 20 10 FGCDRO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2ccccc2O)cc1Br ZINC000825073151 729369778 /nfs/dbraw/zinc/36/97/78/729369778.db2.gz RVTBZIYVDWUMSG-OAHLLOKOSA-N 1 0 364.283 3.404 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000825319820 729378616 /nfs/dbraw/zinc/37/86/16/729378616.db2.gz CVXHPIBJCRQQBK-HDMKZQKVSA-N 1 0 352.425 3.414 20 10 FGCDRO Oc1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000825489332 729384954 /nfs/dbraw/zinc/38/49/54/729384954.db2.gz IUKWWMCIGRBBIA-CYBMUJFWSA-N 1 0 370.287 3.172 20 10 FGCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825652843 729390635 /nfs/dbraw/zinc/39/06/35/729390635.db2.gz ZDCFBXMEGVJSNQ-INIZCTEOSA-N 1 0 350.256 3.156 20 10 FGCDRO COc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825773581 729394831 /nfs/dbraw/zinc/39/48/31/729394831.db2.gz KNJNFXYXBPEVJZ-MRXNPFEDSA-N 1 0 369.527 3.097 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](C)COc2c(F)cccc2F)cc1OC ZINC000827098306 729424182 /nfs/dbraw/zinc/42/41/82/729424182.db2.gz FIRMRBQZEAYPKX-LLVKDONJSA-N 1 0 353.365 3.245 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000827554749 729431665 /nfs/dbraw/zinc/43/16/65/729431665.db2.gz JTAJCDZCMQRNLP-GFCCVEGCSA-N 1 0 369.303 3.200 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000827924432 729437226 /nfs/dbraw/zinc/43/72/26/729437226.db2.gz TVSIDDXDVBMPGB-OAHLLOKOSA-N 1 0 352.862 3.077 20 10 FGCDRO Cc1cc(C(=O)CN(C)C[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827990753 729438118 /nfs/dbraw/zinc/43/81/18/729438118.db2.gz KAWMQPLXJJITHI-HNNXBMFYSA-N 1 0 361.873 3.294 20 10 FGCDRO Cc1cc(CN2CCC[C@H](CS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000830018869 729530640 /nfs/dbraw/zinc/53/06/40/729530640.db2.gz ZAGOHRAPZCRXDO-IBGZPJMESA-N 1 0 364.555 3.242 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)c2ccccc2Cl)cc1 ZINC000832266796 729700801 /nfs/dbraw/zinc/70/08/01/729700801.db2.gz ITITUDXNGSUGLM-GOSISDBHSA-N 1 0 359.901 3.500 20 10 FGCDRO CC[C@H](Sc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274856 729701476 /nfs/dbraw/zinc/70/14/76/729701476.db2.gz ZYEUVQNSPMAITJ-OALUTQOASA-N 1 0 357.523 3.440 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCSc2ccccc2F)cc1 ZINC000832282377 729701865 /nfs/dbraw/zinc/70/18/65/729701865.db2.gz ZFJFUSIUOUDOQE-KRWDZBQOSA-N 1 0 361.486 3.190 20 10 FGCDRO CN1CCN([C@H](C[NH2+][C@H]2CCc3cccc(O)c32)c2cccs2)CC1 ZINC000834487770 729807516 /nfs/dbraw/zinc/80/75/16/729807516.db2.gz LQPDVYAKTZBTQO-DLBZAZTESA-N 1 0 357.523 3.019 20 10 FGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000834597269 729816989 /nfs/dbraw/zinc/81/69/89/729816989.db2.gz FYHVSKKXNZBBPW-GDBMZVCRSA-N 1 0 361.825 3.127 20 10 FGCDRO CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000835055627 729853598 /nfs/dbraw/zinc/85/35/98/729853598.db2.gz LXWBLRFHXRWQKH-LIXSYLKWSA-N 1 0 350.528 3.055 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cc(Cl)ccc1O ZINC000840796960 730175390 /nfs/dbraw/zinc/17/53/90/730175390.db2.gz ICBVKLFYYBHDKW-WBMJQRKESA-N 1 0 355.862 3.112 20 10 FGCDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890696 730188739 /nfs/dbraw/zinc/18/87/39/730188739.db2.gz OHNFVFQLDAUHDN-HNNXBMFYSA-N 1 0 356.507 3.291 20 10 FGCDRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840899938 730189234 /nfs/dbraw/zinc/18/92/34/730189234.db2.gz QIQUAUUSWTWZJN-GOSISDBHSA-N 1 0 351.830 3.194 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c(Cl)c1 ZINC000840917861 730191266 /nfs/dbraw/zinc/19/12/66/730191266.db2.gz OWAVOEMXMOATIN-UHFFFAOYSA-N 1 0 358.869 3.373 20 10 FGCDRO Cc1ccc(Br)c(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000840962982 730198311 /nfs/dbraw/zinc/19/83/11/730198311.db2.gz HSEZVTHQXZUHHO-UHFFFAOYSA-N 1 0 350.212 3.482 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000840975026 730199844 /nfs/dbraw/zinc/19/98/44/730199844.db2.gz BMYIEMDGFMYBIY-CQSZACIVSA-N 1 0 361.511 3.284 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000840975024 730200009 /nfs/dbraw/zinc/20/00/09/730200009.db2.gz BMYIEMDGFMYBIY-AWEZNQCLSA-N 1 0 361.511 3.284 20 10 FGCDRO Brc1cc(CNC[C@H]2CCC[NH2+]2)ccc1N1CCCCC1 ZINC000841035263 730205141 /nfs/dbraw/zinc/20/51/41/730205141.db2.gz JLCFESFDESRXEY-OAHLLOKOSA-N 1 0 352.320 3.281 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2nc3ccc(Cl)cc3n2C)cc1 ZINC000841046208 730206030 /nfs/dbraw/zinc/20/60/30/730206030.db2.gz XZKYQXXBWUUQLN-MRXNPFEDSA-N 1 0 357.889 3.082 20 10 FGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)s1 ZINC000841753243 730270791 /nfs/dbraw/zinc/27/07/91/730270791.db2.gz YEBBEVVJBUZIOS-NSHDSACASA-N 1 0 374.915 3.045 20 10 FGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000842921365 730556978 /nfs/dbraw/zinc/55/69/78/730556978.db2.gz XZDMHLSKACYFIG-PBHICJAKSA-N 1 0 372.303 3.373 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000842919972 730557048 /nfs/dbraw/zinc/55/70/48/730557048.db2.gz OEAKQYSWWKYPIJ-YVEFUNNKSA-N 1 0 372.303 3.291 20 10 FGCDRO Cc1cc(Br)cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1O ZINC000843115717 730587639 /nfs/dbraw/zinc/58/76/39/730587639.db2.gz PYCMHXRTPNKZGP-DLBZAZTESA-N 1 0 361.283 3.390 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000843120771 730588538 /nfs/dbraw/zinc/58/85/38/730588538.db2.gz UHSOTEPIBNPFCA-INIZCTEOSA-N 1 0 362.271 3.005 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000844857599 730780918 /nfs/dbraw/zinc/78/09/18/730780918.db2.gz BQIRNNWHXGYQKG-INIZCTEOSA-N 1 0 365.836 3.287 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000844858674 730781537 /nfs/dbraw/zinc/78/15/37/730781537.db2.gz MHKUYSJTEIIDFM-QGZVFWFLSA-N 1 0 359.857 3.119 20 10 FGCDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000844902221 730787063 /nfs/dbraw/zinc/78/70/63/730787063.db2.gz LYXUGKXPORDMOG-PEYYIBSZSA-N 1 0 359.297 3.417 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846162079 730932996 /nfs/dbraw/zinc/93/29/96/730932996.db2.gz AGTOSYGMVIFAHA-ZIAGYGMSSA-N 1 0 350.459 3.308 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1cc(Br)ccc1O ZINC000846207777 730936551 /nfs/dbraw/zinc/93/65/51/730936551.db2.gz FHGSRPKQAZWMKK-FZMZJTMJSA-N 1 0 355.276 3.064 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000848535793 731177562 /nfs/dbraw/zinc/17/75/62/731177562.db2.gz GWWWOMVRSABORY-CBAPKCEASA-N 1 0 372.181 3.127 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)c1O ZINC000848551298 731180094 /nfs/dbraw/zinc/18/00/94/731180094.db2.gz IUECHGLYMCDDGN-YGRLFVJLSA-N 1 0 358.276 3.365 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cccc(CC)c2O)s1 ZINC000848910983 731219345 /nfs/dbraw/zinc/21/93/45/731219345.db2.gz PIPYLBZBVALFBZ-NWDGAFQWSA-N 1 0 362.499 3.121 20 10 FGCDRO COc1cncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000850137304 731324593 /nfs/dbraw/zinc/32/45/93/731324593.db2.gz MHNSNEAJHAJDPL-KRWDZBQOSA-N 1 0 361.873 3.203 20 10 FGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850155135 731327060 /nfs/dbraw/zinc/32/70/60/731327060.db2.gz OEDYRAWOSCSRKK-ZBFHGGJFSA-N 1 0 369.527 3.144 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+]CCO[C@H]2CC2(F)F)ccc1N1CCCCC1 ZINC000850365538 731348606 /nfs/dbraw/zinc/34/86/06/731348606.db2.gz JQOWDZZSHILEAY-INIZCTEOSA-N 1 0 355.385 3.099 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000850376397 731349924 /nfs/dbraw/zinc/34/99/24/731349924.db2.gz IAJZHOAJYXVPPZ-BQYQJAHWSA-N 1 0 350.528 3.103 20 10 FGCDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Cl)c1Cl ZINC000850401861 731352653 /nfs/dbraw/zinc/35/26/53/731352653.db2.gz AZLIRQMQOJCUDL-LBPRGKRZSA-N 1 0 356.205 3.251 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1[O-] ZINC000850420664 731354997 /nfs/dbraw/zinc/35/49/97/731354997.db2.gz QTVLJMVBIDHVOK-UHFFFAOYSA-N 1 0 353.850 3.165 20 10 FGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O)[C@H]1CCOC1 ZINC000850484715 731361764 /nfs/dbraw/zinc/36/17/64/731361764.db2.gz OXLFGKJYFYUXIP-SLEUVZQESA-N 1 0 358.276 3.165 20 10 FGCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000850545574 731371498 /nfs/dbraw/zinc/37/14/98/731371498.db2.gz HILXZNLYJOWLTQ-DOPJRALCSA-N 1 0 350.890 3.131 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2CCC(O)CC2)c1O ZINC000850553156 731372185 /nfs/dbraw/zinc/37/21/85/731372185.db2.gz SUYFEIJLBHLFQS-XSRFYTQQSA-N 1 0 358.276 3.365 20 10 FGCDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000850558810 731373215 /nfs/dbraw/zinc/37/32/15/731373215.db2.gz XGHQNTUDJRKRKB-MRXNPFEDSA-N 1 0 350.528 3.295 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000850560251 731373559 /nfs/dbraw/zinc/37/35/59/731373559.db2.gz CKMHMORMGZQWIX-SJCJKPOMSA-N 1 0 372.303 3.373 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCc4nc(Cl)ccc43)cc2)CC1 ZINC000850567953 731374260 /nfs/dbraw/zinc/37/42/60/731374260.db2.gz MSNOEVAFWCIYPV-SFHVURJKSA-N 1 0 357.885 3.473 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)c1ccccn1 ZINC000851791987 731498776 /nfs/dbraw/zinc/49/87/76/731498776.db2.gz GNUQQKYQKPZLKB-INIZCTEOSA-N 1 0 351.244 3.105 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(Cl)c1 ZINC000853122960 731667988 /nfs/dbraw/zinc/66/79/88/731667988.db2.gz WSGYOSILONEOFL-HXUWFJFHSA-N 1 0 360.885 3.124 20 10 FGCDRO Fc1cc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)ccc1N1CCOCC1 ZINC000857903262 732167947 /nfs/dbraw/zinc/16/79/47/732167947.db2.gz ZKWHTOHGPRHCFR-INIZCTEOSA-N 1 0 361.848 3.488 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1F ZINC000858120132 732182607 /nfs/dbraw/zinc/18/26/07/732182607.db2.gz YLDQJSHDYSVSTK-UHFFFAOYSA-N 1 0 351.363 3.147 20 10 FGCDRO OC[C@]1(C[NH2+]Cc2c(O)cccc2Br)CCc2ccccc21 ZINC000858184809 732190235 /nfs/dbraw/zinc/19/02/35/732190235.db2.gz PCEIDLZIICVQBB-GOSISDBHSA-N 1 0 362.267 3.121 20 10 FGCDRO CC[C@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)ccc1O ZINC000858597098 732229913 /nfs/dbraw/zinc/22/99/13/732229913.db2.gz LDLYGZHOIUBGJK-LBPRGKRZSA-N 1 0 351.235 3.392 20 10 FGCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249466 732798333 /nfs/dbraw/zinc/79/83/33/732798333.db2.gz PXLQKSJRQOBWQL-NSHDSACASA-N 1 0 356.260 3.318 20 10 FGCDRO O=C1CCCCN1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862249526 732798823 /nfs/dbraw/zinc/79/88/23/732798823.db2.gz SKWVFHRFKRHYLB-UHFFFAOYSA-N 1 0 367.287 3.132 20 10 FGCDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1c(O)cccc1Br)C[C@H](C)O2 ZINC000862353319 732813844 /nfs/dbraw/zinc/81/38/44/732813844.db2.gz KNVZJZIELZMHFK-IGCXYCKISA-N 1 0 370.287 3.313 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862432841 732834408 /nfs/dbraw/zinc/83/44/08/732834408.db2.gz PDKVXUSJAMVPTL-KRWDZBQOSA-N 1 0 366.255 3.166 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865463368 733205960 /nfs/dbraw/zinc/20/59/60/733205960.db2.gz ZMLKRQTVSIKWRH-MRXNPFEDSA-N 1 0 360.889 3.331 20 10 FGCDRO CCOc1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c(O)c1 ZINC000865720665 733259207 /nfs/dbraw/zinc/25/92/07/733259207.db2.gz FQGITCYZSOVDDM-UHFFFAOYSA-N 1 0 359.495 3.029 20 10 FGCDRO COc1ccc(C[NH2+]CCc2sc(C)nc2C)cc1Cn1cccn1 ZINC000873047908 735714273 /nfs/dbraw/zinc/71/42/73/735714273.db2.gz IGUAWAHLDCINAH-UHFFFAOYSA-N 1 0 356.495 3.346 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000873130035 735723830 /nfs/dbraw/zinc/72/38/30/735723830.db2.gz XXLKHNFOXOJZKA-QGZVFWFLSA-N 1 0 359.491 3.445 20 10 FGCDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2O)N1 ZINC000877843331 736734985 /nfs/dbraw/zinc/73/49/85/736734985.db2.gz PLPZIBXFGJOYEQ-ZDUSSCGKSA-N 1 0 358.199 3.001 20 10 FGCDRO [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NCCCSc1nccs1 ZINC000884137982 737637004 /nfs/dbraw/zinc/63/70/04/737637004.db2.gz AFNARZDLLRPUKZ-CQSZACIVSA-N 1 0 361.492 3.058 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cscc3C(F)F)cc2)CC1 ZINC000893606871 742176494 /nfs/dbraw/zinc/17/64/94/742176494.db2.gz AVDKIVZXRCMENH-UHFFFAOYSA-N 1 0 365.449 3.368 20 10 FGCDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCCOC1 ZINC000886355744 739248034 /nfs/dbraw/zinc/24/80/34/739248034.db2.gz NEQJGXMVDZLEIT-KSSFIOAISA-N 1 0 351.487 3.230 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892743227 740039401 /nfs/dbraw/zinc/03/94/01/740039401.db2.gz LLXWTSZXSVWWIW-FUHWJXTLSA-N 1 0 364.555 3.368 20 10 FGCDRO COC(=O)c1c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c2cc(F)ccc2n1C ZINC000895149490 742381383 /nfs/dbraw/zinc/38/13/83/742381383.db2.gz ISEURZBSOLIUMR-QGZVFWFLSA-N 1 0 352.356 3.335 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895536258 742423685 /nfs/dbraw/zinc/42/36/85/742423685.db2.gz IIJHRBVEMPJZMW-HNNXBMFYSA-N 1 0 370.287 3.220 20 10 FGCDRO CO[C@]12CCC[C@@]1([NH2+]Cc1cc(Br)cc(F)c1[O-])CCO2 ZINC000896411730 742546952 /nfs/dbraw/zinc/54/69/52/742546952.db2.gz SQONVIUVGZBJAD-CABCVRRESA-N 1 0 360.223 3.069 20 10 FGCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000897525037 742685890 /nfs/dbraw/zinc/68/58/90/742685890.db2.gz IAAILVPSWWHHFS-QGZVFWFLSA-N 1 0 360.420 3.096 20 10 FGCDRO Cc1cc(F)ncc1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000899260429 742900708 /nfs/dbraw/zinc/90/07/08/742900708.db2.gz GRHGRIFGMWWVRB-NTUHNPAUSA-N 1 0 367.515 3.318 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)c1O ZINC000903439604 743852135 /nfs/dbraw/zinc/85/21/35/743852135.db2.gz GGXPUAXTIHNOFI-HERUPUMHSA-N 1 0 356.260 3.239 20 10 FGCDRO Cc1cc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)nn1C ZINC000926912778 759846784 /nfs/dbraw/zinc/84/67/84/759846784.db2.gz YVABCKWGXOBGCD-LBPRGKRZSA-N 1 0 352.276 3.398 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000359978478 210202632 /nfs/dbraw/zinc/20/26/32/210202632.db2.gz ZZZZRNXBYJFVRZ-GOSISDBHSA-N 1 0 364.449 3.469 20 10 FGCDRO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386968 494389033 /nfs/dbraw/zinc/38/90/33/494389033.db2.gz NXPVPKBPBLBZOZ-GOSISDBHSA-N 1 0 367.493 3.291 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC000092617695 494687876 /nfs/dbraw/zinc/68/78/76/494687876.db2.gz WZJHYGOWNCEOBW-UHFFFAOYSA-N 1 0 366.259 3.197 20 10 FGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000091832133 494697656 /nfs/dbraw/zinc/69/76/56/494697656.db2.gz SPHDCDCBOIZTIU-NSHDSACASA-N 1 0 352.232 3.226 20 10 FGCDRO COc1cccc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109772011 494916755 /nfs/dbraw/zinc/91/67/55/494916755.db2.gz NXJVZASXAAULNA-IBGZPJMESA-N 1 0 354.450 3.196 20 10 FGCDRO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1ccccc1O ZINC000111235873 495052353 /nfs/dbraw/zinc/05/23/53/495052353.db2.gz LKJZSZXZHLPZPT-INIZCTEOSA-N 1 0 353.466 3.451 20 10 FGCDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(Br)c1OC ZINC000134237427 495125028 /nfs/dbraw/zinc/12/50/28/495125028.db2.gz GTSUUAQKOFFXCQ-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000128934578 495171045 /nfs/dbraw/zinc/17/10/45/495171045.db2.gz DKQLTIYKUYLROP-UHFFFAOYSA-N 1 0 372.440 3.278 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCCc1nc(-c3ccncc3)cs1)OCO2 ZINC000113356173 495298691 /nfs/dbraw/zinc/29/86/91/495298691.db2.gz RMUHRMQSHVTHHL-UHFFFAOYSA-N 1 0 369.446 3.362 20 10 FGCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000125390176 495437093 /nfs/dbraw/zinc/43/70/93/495437093.db2.gz HDRIRTSGNVOXHA-BTYIYWSLSA-N 1 0 374.456 3.055 20 10 FGCDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)ncn1 ZINC000159047148 495644841 /nfs/dbraw/zinc/64/48/41/495644841.db2.gz KCSYPKQHYJCTKA-INIZCTEOSA-N 1 0 353.514 3.425 20 10 FGCDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000155109142 495839156 /nfs/dbraw/zinc/83/91/56/495839156.db2.gz MTQJAILAMNFDEQ-GFCCVEGCSA-N 1 0 361.269 3.022 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(NS(C)(=O)=O)cc1 ZINC000171379146 495846590 /nfs/dbraw/zinc/84/65/90/495846590.db2.gz TVDDEWFUQOHFDS-HNNXBMFYSA-N 1 0 373.522 3.291 20 10 FGCDRO COc1ccc(O)c(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000183177834 495868285 /nfs/dbraw/zinc/86/82/85/495868285.db2.gz WMSJOHCLPYTSRT-UHFFFAOYSA-N 1 0 357.385 3.312 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1O ZINC000186276348 495925060 /nfs/dbraw/zinc/92/50/60/495925060.db2.gz SNYHSWDPUDOGDA-RTBURBONSA-N 1 0 354.450 3.243 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000160530696 495984911 /nfs/dbraw/zinc/98/49/11/495984911.db2.gz WANKLQMYXGWLRH-GFCCVEGCSA-N 1 0 361.383 3.145 20 10 FGCDRO c1ccc2c(c1)CO[C@]21CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000186444834 496000414 /nfs/dbraw/zinc/00/04/14/496000414.db2.gz GPRSJCBRNHLAGT-QFIPXVFZSA-N 1 0 350.462 3.155 20 10 FGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000155713737 496043501 /nfs/dbraw/zinc/04/35/01/496043501.db2.gz CUOCBTFQJBOIFG-UHFFFAOYSA-N 1 0 368.525 3.080 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000180921362 496200488 /nfs/dbraw/zinc/20/04/88/496200488.db2.gz IFRPJAAODUOFJB-VQHVLOKHSA-N 1 0 352.434 3.023 20 10 FGCDRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178449500 496461582 /nfs/dbraw/zinc/46/15/82/496461582.db2.gz PZALFHKTBWESRC-FOIQADDNSA-N 1 0 374.456 3.055 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000184674924 496488844 /nfs/dbraw/zinc/48/88/44/496488844.db2.gz DLZNLSCPCLUZIC-UHFFFAOYSA-N 1 0 366.889 3.279 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)ccc1OC ZINC000184937189 496592343 /nfs/dbraw/zinc/59/23/43/496592343.db2.gz IDXRUIPAMCHRNC-UQBPGWFLSA-N 1 0 361.507 3.441 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185118267 496668241 /nfs/dbraw/zinc/66/82/41/496668241.db2.gz DCNWFFZBERJKCA-CQSZACIVSA-N 1 0 374.456 3.352 20 10 FGCDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154080092 496677407 /nfs/dbraw/zinc/67/74/07/496677407.db2.gz XBTISRJXJQKHST-HNAYVOBHSA-N 1 0 361.461 3.209 20 10 FGCDRO CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)ccc1O ZINC000185211214 496704810 /nfs/dbraw/zinc/70/48/10/496704810.db2.gz JHQNDFHMGYUYOS-HNNXBMFYSA-N 1 0 371.319 3.306 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273610335 496853247 /nfs/dbraw/zinc/85/32/47/496853247.db2.gz VOGJJWPXZAYAQH-CABCVRRESA-N 1 0 362.495 3.329 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)cc1OC ZINC000191780084 496887415 /nfs/dbraw/zinc/88/74/15/496887415.db2.gz LCHVJLSWYVSJFP-QVKFZJNVSA-N 1 0 359.466 3.129 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc(F)c3F)SC2=S)CC1 ZINC000264494494 496913462 /nfs/dbraw/zinc/91/34/62/496913462.db2.gz QCPLKIHJVQGLJK-LCYFTJDESA-N 1 0 354.447 3.260 20 10 FGCDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000192481654 497129151 /nfs/dbraw/zinc/12/91/51/497129151.db2.gz XVBJBUQXUBLIQU-GUYCJALGSA-N 1 0 358.404 3.057 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccccc1O ZINC000274819479 497174745 /nfs/dbraw/zinc/17/47/45/497174745.db2.gz BKAVHIOZBFGZBP-QGZVFWFLSA-N 1 0 372.465 3.109 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc(C(F)(F)F)c1 ZINC000278868998 497248520 /nfs/dbraw/zinc/24/85/20/497248520.db2.gz YKCYENUKRWHIKN-UHFFFAOYSA-N 1 0 370.283 3.338 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)c1c(F)cccc1F ZINC000266297364 497298335 /nfs/dbraw/zinc/29/83/35/497298335.db2.gz LNIIDUYOUKZDBT-SCLBCKFNSA-N 1 0 351.349 3.001 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1F ZINC000275458095 497332282 /nfs/dbraw/zinc/33/22/82/497332282.db2.gz GZJFPKHPOFTHIQ-HKUYNNGSSA-N 1 0 360.477 3.415 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cc(Br)ccc1O ZINC000279409404 497431516 /nfs/dbraw/zinc/43/15/16/497431516.db2.gz DRATYNMIJZJMAW-OAHLLOKOSA-N 1 0 365.271 3.403 20 10 FGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2O)cn1 ZINC000279463735 497446429 /nfs/dbraw/zinc/44/64/29/497446429.db2.gz UTDGLKGKDQAHHT-UHFFFAOYSA-N 1 0 364.243 3.106 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2F)CC1 ZINC000245551598 497452344 /nfs/dbraw/zinc/45/23/44/497452344.db2.gz IXDRMKIMEZITHR-IOMROCGXSA-N 1 0 374.500 3.224 20 10 FGCDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271795599 497453348 /nfs/dbraw/zinc/45/33/48/497453348.db2.gz HUFQULCFLLSDKY-RNODOKPDSA-N 1 0 361.438 3.284 20 10 FGCDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000271902798 497483315 /nfs/dbraw/zinc/48/33/15/497483315.db2.gz VZDJDEXCCNCCQD-KXBFYZLASA-N 1 0 350.478 3.110 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000246410499 497724015 /nfs/dbraw/zinc/72/40/15/497724015.db2.gz UUADOMZFMSWTOP-NQIIRXRSSA-N 1 0 372.557 3.405 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(O)c1C ZINC000277140308 497754197 /nfs/dbraw/zinc/75/41/97/497754197.db2.gz CTVVPFUDDBMHLS-OAHLLOKOSA-N 1 0 368.543 3.252 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000277240636 497786125 /nfs/dbraw/zinc/78/61/25/497786125.db2.gz OEKIAGKQFLCWOR-INIZCTEOSA-N 1 0 354.516 3.026 20 10 FGCDRO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000295872370 497838448 /nfs/dbraw/zinc/83/84/48/497838448.db2.gz HFAAYEFINVCIEE-GOSISDBHSA-N 1 0 354.425 3.413 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292178138 497911782 /nfs/dbraw/zinc/91/17/82/497911782.db2.gz OKYJGSSMTPXPHP-KRWDZBQOSA-N 1 0 367.493 3.076 20 10 FGCDRO COC(=O)/C=C/c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301214500 498003756 /nfs/dbraw/zinc/00/37/56/498003756.db2.gz ZCTJCYCSZCUEHC-SYJIQKIWSA-N 1 0 373.453 3.236 20 10 FGCDRO CC(C)[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1nncn1C ZINC000289380768 498126043 /nfs/dbraw/zinc/12/60/43/498126043.db2.gz MMRZDINFWBREDB-OAHLLOKOSA-N 1 0 355.408 3.387 20 10 FGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281997375 498350784 /nfs/dbraw/zinc/35/07/84/498350784.db2.gz CSGUMBWVPWIDKS-LPHOPBHVSA-N 1 0 350.478 3.082 20 10 FGCDRO O=S(=O)(CC[NH2+][C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000297629057 498518041 /nfs/dbraw/zinc/51/80/41/498518041.db2.gz JGOVIVSVPNHSEA-HNNXBMFYSA-N 1 0 351.855 3.096 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1F ZINC000290556334 498596451 /nfs/dbraw/zinc/59/64/51/498596451.db2.gz ZIZFWDRNULQXFT-UHFFFAOYSA-N 1 0 365.474 3.464 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1O ZINC000282976894 498732247 /nfs/dbraw/zinc/73/22/47/498732247.db2.gz DNJJIWOWEIQCFH-IINYFYTJSA-N 1 0 353.260 3.007 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000363768210 498983919 /nfs/dbraw/zinc/98/39/19/498983919.db2.gz MTSMPAAXHVVRPK-AWEZNQCLSA-N 1 0 352.438 3.384 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCCCC2)cc1 ZINC000363785661 498991912 /nfs/dbraw/zinc/99/19/12/498991912.db2.gz PCGIRBWOPGBCKC-PKOBYXMFSA-N 1 0 353.514 3.340 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)n1-c1ccccn1 ZINC000366636317 499012834 /nfs/dbraw/zinc/01/28/34/499012834.db2.gz ZHAZNSRHKXUXLM-MJGOQNOKSA-N 1 0 352.482 3.093 20 10 FGCDRO COc1ccc(O)c([C@H](C)Nc2ccc(OC3CC[NH+](C)CC3)nc2)c1 ZINC000363862008 499029885 /nfs/dbraw/zinc/02/98/85/499029885.db2.gz YAVBAOUCJPDJRH-AWEZNQCLSA-N 1 0 357.454 3.442 20 10 FGCDRO Cc1ccc2nc(C[NH2+]Cc3ccc(N4CCC(CO)CC4)cc3)cn2c1 ZINC000284041734 499036010 /nfs/dbraw/zinc/03/60/10/499036010.db2.gz RUZYHRJLLOCNOM-UHFFFAOYSA-N 1 0 364.493 3.141 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2ccccc2Cn2cncn2)ccc1OC ZINC000299478136 499070655 /nfs/dbraw/zinc/07/06/55/499070655.db2.gz ZEFABTKIMYFDQQ-UHFFFAOYSA-N 1 0 366.465 3.161 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000372497484 499134575 /nfs/dbraw/zinc/13/45/75/499134575.db2.gz QGVOAZOZNNAPDP-MFKMUULPSA-N 1 0 350.260 3.394 20 10 FGCDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000368036064 499258134 /nfs/dbraw/zinc/25/81/34/499258134.db2.gz QHTXHOSZOFREJV-ZDUSSCGKSA-N 1 0 362.861 3.415 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)c1O ZINC000371425096 499325176 /nfs/dbraw/zinc/32/51/76/499325176.db2.gz QXKUBTJRECLZDB-UHFFFAOYSA-N 1 0 359.857 3.097 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H](CO)c3c(F)cccc3F)CC2)cc1 ZINC000371432004 499325889 /nfs/dbraw/zinc/32/58/89/499325889.db2.gz IDRPEDKTADUYTK-LJQANCHMSA-N 1 0 362.420 3.265 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000369104976 499365959 /nfs/dbraw/zinc/36/59/59/499365959.db2.gz OEPDQBLQVCZVFG-CTNGQTDRSA-N 1 0 370.541 3.349 20 10 FGCDRO CN(C)c1ccc(C[N@H+](Cc2cc(-c3cnn(C)c3)no2)C2CC2)cc1 ZINC000372190813 499406990 /nfs/dbraw/zinc/40/69/90/499406990.db2.gz HCBAERNFUMENPS-UHFFFAOYSA-N 1 0 351.454 3.306 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369519602 499412158 /nfs/dbraw/zinc/41/21/58/499412158.db2.gz BYLZMFWPJSXIML-KBXCAEBGSA-N 1 0 359.495 3.288 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369519612 499412171 /nfs/dbraw/zinc/41/21/71/499412171.db2.gz BYLZMFWPJSXIML-RDTXWAMCSA-N 1 0 359.495 3.288 20 10 FGCDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCN3C)ccc1OC(=O)C1CC1 ZINC000372413195 499431833 /nfs/dbraw/zinc/43/18/33/499431833.db2.gz VKYFGRIWWVRCIM-UHFFFAOYSA-N 1 0 366.461 3.293 20 10 FGCDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000373183326 499455953 /nfs/dbraw/zinc/45/59/53/499455953.db2.gz PNTDEGBZWQZODO-YXMGTMDOSA-N 1 0 353.378 3.053 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000375750424 499551361 /nfs/dbraw/zinc/55/13/61/499551361.db2.gz MAAZTBUKRXBIQS-UHFFFAOYSA-N 1 0 360.889 3.129 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)cc1F ZINC000376507063 499613666 /nfs/dbraw/zinc/61/36/66/499613666.db2.gz TZBODGRNCZIPQS-QGZVFWFLSA-N 1 0 359.489 3.115 20 10 FGCDRO CO[C@@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000435993563 501055254 /nfs/dbraw/zinc/05/52/54/501055254.db2.gz VOZYCRWORDNKOX-IAGOWNOFSA-N 1 0 369.509 3.092 20 10 FGCDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000471348922 501995552 /nfs/dbraw/zinc/99/55/52/501995552.db2.gz SWLZYFBCLHOQAU-OAHLLOKOSA-N 1 0 359.514 3.365 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000471733898 502122945 /nfs/dbraw/zinc/12/29/45/502122945.db2.gz DCXJKWDSMRRGAF-HZPDHXFCSA-N 1 0 356.514 3.406 20 10 FGCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000472226191 502277232 /nfs/dbraw/zinc/27/72/32/502277232.db2.gz VGYGCEYLAOPHTI-MAUKXSAKSA-N 1 0 356.514 3.358 20 10 FGCDRO COC[C@@]1([NH2+]Cc2cc(Cl)cc(OC)c2O)COc2ccccc2C1 ZINC000529668055 504756359 /nfs/dbraw/zinc/75/63/59/504756359.db2.gz HCLXKJAGUXIWPI-LJQANCHMSA-N 1 0 363.841 3.164 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000565792901 504989076 /nfs/dbraw/zinc/98/90/76/504989076.db2.gz SRVUXHPRXKAYNM-WBVHZDCISA-N 1 0 354.498 3.255 20 10 FGCDRO Cc1[nH]nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1C ZINC000584225377 507223130 /nfs/dbraw/zinc/22/31/30/507223130.db2.gz BHBPSJNYOALCGV-UHFFFAOYSA-N 1 0 365.481 3.386 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000736531416 598561354 /nfs/dbraw/zinc/56/13/54/598561354.db2.gz GRCATFLWTQDXOF-UHFFFAOYSA-N 1 0 354.433 3.142 20 10 FGCDRO C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714582 600986430 /nfs/dbraw/zinc/98/64/30/600986430.db2.gz VDVSOEXXTJWCOP-MRXNPFEDSA-N 1 0 368.477 3.407 20 10 FGCDRO CC[N@H+](Cc1c(O)cccc1OC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428283 608549720 /nfs/dbraw/zinc/54/97/20/608549720.db2.gz HZUAWEKMBHHSJK-ZDUSSCGKSA-N 1 0 353.426 3.164 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618871 609331841 /nfs/dbraw/zinc/33/18/41/609331841.db2.gz RIDYWJQGRMLUMI-LLVKDONJSA-N 1 0 358.396 3.062 20 10 FGCDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093317183 700450285 /nfs/dbraw/zinc/45/02/85/700450285.db2.gz FTYMURHQNUSVMP-GOSISDBHSA-N 1 0 350.478 3.443 20 10 FGCDRO C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1F ZINC000114509024 700578596 /nfs/dbraw/zinc/57/85/96/700578596.db2.gz ZQQIAAZNLZLLEH-MRXNPFEDSA-N 1 0 372.209 3.430 20 10 FGCDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122414956 700689285 /nfs/dbraw/zinc/68/92/85/700689285.db2.gz KYSORGWDSGDFSL-GFCCVEGCSA-N 1 0 364.852 3.447 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c1O ZINC000124090561 700714694 /nfs/dbraw/zinc/71/46/94/700714694.db2.gz DNPZVEJYCIJBEA-OAHLLOKOSA-N 1 0 372.284 3.222 20 10 FGCDRO CCCNC(=O)C1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCCCC1 ZINC000132307000 700826149 /nfs/dbraw/zinc/82/61/49/700826149.db2.gz RCNJKCMTDSWPLT-UHFFFAOYSA-N 1 0 350.434 3.053 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000133678672 700840369 /nfs/dbraw/zinc/84/03/69/700840369.db2.gz WGFQSQCXCSBLKW-XJKSGUPXSA-N 1 0 350.409 3.121 20 10 FGCDRO C[N@H+](CCNC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000152710347 704971807 /nfs/dbraw/zinc/97/18/07/704971807.db2.gz CWVQMIXNCABYSR-UHFFFAOYSA-N 1 0 364.540 3.057 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COCC(C)C ZINC000174425481 705503978 /nfs/dbraw/zinc/50/39/78/705503978.db2.gz ULWJMPBUYQZLJL-OAHLLOKOSA-N 1 0 360.292 3.010 20 10 FGCDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1O ZINC000182501186 705846698 /nfs/dbraw/zinc/84/66/98/705846698.db2.gz ZFANGCOWOFJMEA-CJNGLKHVSA-N 1 0 360.479 3.281 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1O ZINC000184854696 712677422 /nfs/dbraw/zinc/67/74/22/712677422.db2.gz GTSCJGKWGMAHLU-CZUORRHYSA-N 1 0 350.459 3.317 20 10 FGCDRO Cc1cc2c(ncnc2N2CC[NH+](Cc3cccc(C)c3O)CC2)s1 ZINC000188758780 712776927 /nfs/dbraw/zinc/77/69/27/712776927.db2.gz SSFRYTYDLVJUMX-UHFFFAOYSA-N 1 0 354.479 3.336 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245720453 713610692 /nfs/dbraw/zinc/61/06/92/713610692.db2.gz HVYQCXOOSUUVAN-VQTJNVASSA-N 1 0 364.555 3.465 20 10 FGCDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(O)c1O ZINC000248423521 713649646 /nfs/dbraw/zinc/64/96/46/713649646.db2.gz ZFANGCOWOFJMEA-XJKSGUPXSA-N 1 0 360.479 3.281 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000381406823 713978887 /nfs/dbraw/zinc/97/88/87/713978887.db2.gz WSYBAUIJPGWIQT-MNOVXSKESA-N 1 0 358.866 3.446 20 10 FGCDRO COc1c(O)c(C[NH2+]Cc2ccsc2Br)ccc1[N+](=O)[O-] ZINC000802653563 724398086 /nfs/dbraw/zinc/39/80/86/724398086.db2.gz YIDCTGLCWIURIU-UHFFFAOYSA-N 1 0 373.228 3.423 20 10 FGCDRO CN(CC[NH2+]Cc1ccc(Br)cc1O)C(=O)OC(C)(C)C ZINC000701096864 722410011 /nfs/dbraw/zinc/41/00/11/722410011.db2.gz XPYRPRKRHUWBKV-UHFFFAOYSA-N 1 0 359.264 3.111 20 10 FGCDRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cc(Cl)ccc2O)CCOCC1 ZINC000705596282 722411735 /nfs/dbraw/zinc/41/17/35/722411735.db2.gz OWSCWHWBZDZYSL-UHFFFAOYSA-N 1 0 370.877 3.209 20 10 FGCDRO CN1CCN([C@@H](C[NH2+]Cc2cc(Cl)ccc2O)c2cccs2)CC1 ZINC000725841500 722424696 /nfs/dbraw/zinc/42/46/96/722424696.db2.gz LDGDVPKIIFPWQB-INIZCTEOSA-N 1 0 365.930 3.185 20 10 FGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731364862 722474740 /nfs/dbraw/zinc/47/47/40/722474740.db2.gz PYKMHGPBPKGUEL-OAHLLOKOSA-N 1 0 352.498 3.201 20 10 FGCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000740856907 722538482 /nfs/dbraw/zinc/53/84/82/722538482.db2.gz XNSOIAYVMJGWIV-AWEZNQCLSA-N 1 0 361.463 3.035 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000742393554 722556859 /nfs/dbraw/zinc/55/68/59/722556859.db2.gz YLPOZXUGVGLNDF-RCCFBDPRSA-N 1 0 356.853 3.292 20 10 FGCDRO COCC[NH+](CCOC)Cc1c(O)ccc2cc(Br)ccc21 ZINC000747450570 722647402 /nfs/dbraw/zinc/64/74/02/722647402.db2.gz VRGOXCPEXDQURE-UHFFFAOYSA-N 1 0 368.271 3.403 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cccc(Br)c2OC)c(O)c1 ZINC000752264364 722851584 /nfs/dbraw/zinc/85/15/84/722851584.db2.gz CTWRTVGQMZYZJA-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000754729948 722945066 /nfs/dbraw/zinc/94/50/66/722945066.db2.gz HJUOYJAAFRSAKM-CQSZACIVSA-N 1 0 350.459 3.056 20 10 FGCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754742663 722945194 /nfs/dbraw/zinc/94/51/94/722945194.db2.gz WJBPJCSJBMXOQI-CQSZACIVSA-N 1 0 367.511 3.179 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)cc1O ZINC000756396228 722963924 /nfs/dbraw/zinc/96/39/24/722963924.db2.gz IEDPKPFKEIKVBB-OCCSQVGLSA-N 1 0 366.255 3.245 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c(O)c1 ZINC000756442277 722964747 /nfs/dbraw/zinc/96/47/47/722964747.db2.gz DPZUYZVHCOQAJU-HNNXBMFYSA-N 1 0 362.495 3.238 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1O ZINC000756501303 722965743 /nfs/dbraw/zinc/96/57/43/722965743.db2.gz DATSPHPODBHCMW-KOLCDFICSA-N 1 0 367.209 3.442 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000756738821 722969347 /nfs/dbraw/zinc/96/93/47/722969347.db2.gz LLDOBMOOAJXJEH-XKQJLSEDSA-N 1 0 351.512 3.277 20 10 FGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761194325 723132090 /nfs/dbraw/zinc/13/20/90/723132090.db2.gz YQYPACDJCIYTMU-UHFFFAOYSA-N 1 0 356.850 3.107 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CC[S@](=O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000792992050 723390803 /nfs/dbraw/zinc/39/08/03/723390803.db2.gz GBOBRACHPLWUKW-QHCPKHFHSA-N 1 0 350.450 3.408 20 10 FGCDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(OC)cc1O ZINC000793387308 723432666 /nfs/dbraw/zinc/43/26/66/723432666.db2.gz CLIGLXXYOYYIBS-UHFFFAOYSA-N 1 0 369.870 3.138 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)c(O)c1 ZINC000793389089 723433131 /nfs/dbraw/zinc/43/31/31/723433131.db2.gz VAZYBJYSXMVGLS-UHFFFAOYSA-N 1 0 366.211 3.182 20 10 FGCDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765440274 723513736 /nfs/dbraw/zinc/51/37/36/723513736.db2.gz MNUBZFUWBZJZDT-GJZGRUSLSA-N 1 0 360.889 3.248 20 10 FGCDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978639 723549560 /nfs/dbraw/zinc/54/95/60/723549560.db2.gz DQPCVIVCQVPQCQ-APWZRJJASA-N 1 0 364.555 3.226 20 10 FGCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3CCCCCCC3)cc2)CC1 ZINC000765978797 723549687 /nfs/dbraw/zinc/54/96/87/723549687.db2.gz OZDTZVIOTAJXEK-UHFFFAOYSA-N 1 0 350.528 3.124 20 10 FGCDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765995755 723550554 /nfs/dbraw/zinc/55/05/54/723550554.db2.gz WXXMFTXLQIQPHC-RKVPGOIHSA-N 1 0 352.906 3.415 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000796491065 723639967 /nfs/dbraw/zinc/63/99/67/723639967.db2.gz PCUHYENYLNWLAQ-INIZCTEOSA-N 1 0 352.544 3.368 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000796529013 723641704 /nfs/dbraw/zinc/64/17/04/723641704.db2.gz LKIWVDXNQSCCBC-OLZOCXBDSA-N 1 0 362.499 3.176 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000796529016 723641721 /nfs/dbraw/zinc/64/17/21/723641721.db2.gz LKIWVDXNQSCCBC-STQMWFEESA-N 1 0 362.499 3.176 20 10 FGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000768182205 723649540 /nfs/dbraw/zinc/64/95/40/723649540.db2.gz WOSVGOJOGGXZPH-AWEZNQCLSA-N 1 0 364.239 3.427 20 10 FGCDRO COc1cccc(O)c1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768862336 723669957 /nfs/dbraw/zinc/66/99/57/723669957.db2.gz ADXJOWHFQXTLHK-UHFFFAOYSA-N 1 0 350.459 3.232 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769196426 723679292 /nfs/dbraw/zinc/67/92/92/723679292.db2.gz WCHALUJBNQDXOU-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000797142510 723786066 /nfs/dbraw/zinc/78/60/66/723786066.db2.gz WKILPKQGKCEWRU-FRRDWIJNSA-N 1 0 362.499 3.428 20 10 FGCDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000773733070 723817823 /nfs/dbraw/zinc/81/78/23/723817823.db2.gz GIVRMUAJZUGGJI-UHFFFAOYSA-N 1 0 357.420 3.033 20 10 FGCDRO COc1c(O)c(C[NH2+]Cc2cc(Br)cs2)ccc1[N+](=O)[O-] ZINC000774978800 723947295 /nfs/dbraw/zinc/94/72/95/723947295.db2.gz MXXHLPWBWMRWMR-UHFFFAOYSA-N 1 0 373.228 3.423 20 10 FGCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000775175035 723968527 /nfs/dbraw/zinc/96/85/27/723968527.db2.gz FKTHCSFSMYVVQH-MRXNPFEDSA-N 1 0 358.276 3.290 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc2nsnc21)c1ccc(N2CCOCC2)cc1 ZINC000775255341 723973857 /nfs/dbraw/zinc/97/38/57/723973857.db2.gz MVYUBFHHSMZQLY-CQSZACIVSA-N 1 0 354.479 3.379 20 10 FGCDRO CC[C@H]([NH2+]CCN1CCOCC1(C)C)c1cc(Br)ccc1O ZINC000775498044 723996496 /nfs/dbraw/zinc/99/64/96/723996496.db2.gz GIRFKXGCOPOCSR-HNNXBMFYSA-N 1 0 371.319 3.306 20 10 FGCDRO Nc1ccc(Cc2nc(C(=O)OCCC[NH+]3CCCCC3)cs2)cc1 ZINC000800198021 724164614 /nfs/dbraw/zinc/16/46/14/724164614.db2.gz MKPGRNXCCOTVMX-UHFFFAOYSA-N 1 0 359.495 3.349 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000776812177 724185403 /nfs/dbraw/zinc/18/54/03/724185403.db2.gz QVUGLGHCLCMLSH-ZBFHGGJFSA-N 1 0 350.459 3.138 20 10 FGCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc2c(cc1O)CCCC2 ZINC000800850498 724237369 /nfs/dbraw/zinc/23/73/69/724237369.db2.gz VWJVEZVUNADAPZ-UHFFFAOYSA-N 1 0 358.507 3.471 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000784682796 724872241 /nfs/dbraw/zinc/87/22/41/724872241.db2.gz MFZRXEMBBDRMAT-HZPDHXFCSA-N 1 0 356.260 3.211 20 10 FGCDRO COC(=O)[C@@H]1[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769359 725038044 /nfs/dbraw/zinc/03/80/44/725038044.db2.gz DUTUVNNFWPBBGH-IRXDYDNUSA-N 1 0 352.425 3.163 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)Cc2ccc(C)cn2)c1O ZINC000789595935 725138078 /nfs/dbraw/zinc/13/80/78/725138078.db2.gz ZRIHGGFBDZNOBF-UHFFFAOYSA-N 1 0 351.244 3.499 20 10 FGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(Br)cc1O ZINC000808729580 725215184 /nfs/dbraw/zinc/21/51/84/725215184.db2.gz MHZLASGUOBPYLK-NCAQKEMTSA-N 1 0 364.239 3.300 20 10 FGCDRO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000808732655 725215304 /nfs/dbraw/zinc/21/53/04/725215304.db2.gz MYNLNFBXWAUHIP-IRXDYDNUSA-N 1 0 351.510 3.433 20 10 FGCDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741385 725264095 /nfs/dbraw/zinc/26/40/95/725264095.db2.gz OCVYMJYUNRPTDX-INIZCTEOSA-N 1 0 372.340 3.299 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810240186 725299120 /nfs/dbraw/zinc/29/91/20/725299120.db2.gz QHDIBUZZCAALKO-RISCZKNCSA-N 1 0 365.417 3.277 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000815166246 727047501 /nfs/dbraw/zinc/04/75/01/727047501.db2.gz DTXYSPFCHOSBBL-UHFFFAOYSA-N 1 0 369.870 3.008 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000815577784 727084542 /nfs/dbraw/zinc/08/45/42/727084542.db2.gz YZPWDPJVRAEVCT-KBPBESRZSA-N 1 0 351.393 3.378 20 10 FGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000815633851 727087998 /nfs/dbraw/zinc/08/79/98/727087998.db2.gz XUNSBQFSBIGZGA-RYUDHWBXSA-N 1 0 357.292 3.358 20 10 FGCDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816574926 727177078 /nfs/dbraw/zinc/17/70/78/727177078.db2.gz WVYYRDZLEFCLQA-CQSZACIVSA-N 1 0 352.356 3.046 20 10 FGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)Cc1ccccc1 ZINC000816624831 727181550 /nfs/dbraw/zinc/18/15/50/727181550.db2.gz IVDSKIFFUNDXST-MRXNPFEDSA-N 1 0 350.256 3.190 20 10 FGCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[C@@H]1CCS(=O)(=O)C1 ZINC000817297755 727238030 /nfs/dbraw/zinc/23/80/30/727238030.db2.gz AFTLRVBLTHUKNG-WBVHZDCISA-N 1 0 351.512 3.155 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817419230 727250051 /nfs/dbraw/zinc/25/00/51/727250051.db2.gz RCXPZUKFOHLAHI-GFCCVEGCSA-N 1 0 358.276 3.148 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(Br)cc1O ZINC000817585266 727268156 /nfs/dbraw/zinc/26/81/56/727268156.db2.gz DUXFAQUWKPZTSO-IJLUTSLNSA-N 1 0 355.276 3.097 20 10 FGCDRO C[C@H](NCC1([NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817938001 727288639 /nfs/dbraw/zinc/28/86/39/727288639.db2.gz BCLNGNYHBVSCMT-HNNXBMFYSA-N 1 0 351.922 3.489 20 10 FGCDRO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982676 727290446 /nfs/dbraw/zinc/29/04/46/727290446.db2.gz VIMBEUAEENNHTG-KUHUBIRLSA-N 1 0 351.922 3.345 20 10 FGCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(Cl)nc(Cl)n3C)C2)cc1 ZINC000818219054 727302189 /nfs/dbraw/zinc/30/21/89/727302189.db2.gz AXRDOBJGTBFWJP-LBPRGKRZSA-N 1 0 369.296 3.352 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1SC ZINC000822494716 729181674 /nfs/dbraw/zinc/18/16/74/729181674.db2.gz UUYQENYIKSAUKY-ZWQIFLOQSA-N 1 0 350.528 3.020 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H](C)O1 ZINC000823666755 729297303 /nfs/dbraw/zinc/29/73/03/729297303.db2.gz RAFLYLILQMAHJS-IGCXYCKISA-N 1 0 358.404 3.198 20 10 FGCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823888289 729311278 /nfs/dbraw/zinc/31/12/78/729311278.db2.gz YRJFCIWPUYTWLH-GOSISDBHSA-N 1 0 359.539 3.195 20 10 FGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1)C(N)=O ZINC000824608630 729350190 /nfs/dbraw/zinc/35/01/90/729350190.db2.gz KTOLIJAPPQVVGM-GFCCVEGCSA-N 1 0 369.303 3.268 20 10 FGCDRO COCCOc1cccc(C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825127723 729372125 /nfs/dbraw/zinc/37/21/25/729372125.db2.gz ZSYYEQOBZCNOAF-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC000825133480 729372306 /nfs/dbraw/zinc/37/23/06/729372306.db2.gz HGFYIGSMCXRFJM-INIZCTEOSA-N 1 0 356.260 3.166 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000825405061 729381977 /nfs/dbraw/zinc/38/19/77/729381977.db2.gz BUCFSJNRVSGXPG-AWEZNQCLSA-N 1 0 356.260 3.320 20 10 FGCDRO Cc1cc([C@@H]([NH3+])CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000825942515 729400265 /nfs/dbraw/zinc/40/02/65/729400265.db2.gz BPUWVIYKJBVHSY-KRWDZBQOSA-N 1 0 360.889 3.158 20 10 FGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1cccnc1 ZINC000826012405 729402355 /nfs/dbraw/zinc/40/23/55/729402355.db2.gz NZCIWFPLHIHGNQ-INIZCTEOSA-N 1 0 365.271 3.399 20 10 FGCDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826013510 729402401 /nfs/dbraw/zinc/40/24/01/729402401.db2.gz WAMHHTIHSLGMEH-INIZCTEOSA-N 1 0 353.434 3.031 20 10 FGCDRO C[C@H](O)C1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000827585249 729432051 /nfs/dbraw/zinc/43/20/51/729432051.db2.gz DDVQOGPMWFNLOK-ZDUSSCGKSA-N 1 0 353.304 3.442 20 10 FGCDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)s1 ZINC000827941042 729437443 /nfs/dbraw/zinc/43/74/43/729437443.db2.gz BJKRVYDLSTVZLW-CYBMUJFWSA-N 1 0 362.451 3.024 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@]4(CCSC4)C3)cc2)CC1 ZINC000829250578 729470127 /nfs/dbraw/zinc/47/01/27/729470127.db2.gz SIHAMYBXHJEYDZ-HXUWFJFHSA-N 1 0 362.539 3.010 20 10 FGCDRO Cc1ccoc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830544015 729570069 /nfs/dbraw/zinc/57/00/69/729570069.db2.gz IXHWMTSECYGJJQ-MRXNPFEDSA-N 1 0 362.857 3.270 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000830804474 729594702 /nfs/dbraw/zinc/59/47/02/729594702.db2.gz UVFOSRCRGLHMGU-YOEHRIQHSA-N 1 0 369.303 3.411 20 10 FGCDRO Cc1ccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000832293228 729703080 /nfs/dbraw/zinc/70/30/80/729703080.db2.gz RUVNJWZBEHOSFB-IBGZPJMESA-N 1 0 359.901 3.463 20 10 FGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000834597270 729816976 /nfs/dbraw/zinc/81/69/76/729816976.db2.gz FYHVSKKXNZBBPW-GOEBONIOSA-N 1 0 361.825 3.127 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000834821153 729836636 /nfs/dbraw/zinc/83/66/36/729836636.db2.gz KUVAOHWYSZUGPY-RYUDHWBXSA-N 1 0 364.287 3.322 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H](O)C(F)F ZINC000834875853 729840939 /nfs/dbraw/zinc/84/09/39/729840939.db2.gz UUHKJKRDWFGRCY-UVBJJODRSA-N 1 0 362.848 3.232 20 10 FGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1 ZINC000834909570 729845601 /nfs/dbraw/zinc/84/56/01/729845601.db2.gz SMKISGKWQGKWFT-HNNXBMFYSA-N 1 0 360.889 3.168 20 10 FGCDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000835083127 729857576 /nfs/dbraw/zinc/85/75/76/729857576.db2.gz ZHYYBPHFFJYXOJ-ZDUSSCGKSA-N 1 0 370.877 3.161 20 10 FGCDRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000840876349 730186940 /nfs/dbraw/zinc/18/69/40/730186940.db2.gz MCZJNUHOUOMCAH-SNVBAGLBSA-N 1 0 364.305 3.019 20 10 FGCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000840888853 730188332 /nfs/dbraw/zinc/18/83/32/730188332.db2.gz DGRWTMYLWAFCFP-IUCAKERBSA-N 1 0 363.683 3.372 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)s1 ZINC000840941050 730194309 /nfs/dbraw/zinc/19/43/09/730194309.db2.gz OVKYYCUJFOLZBH-UHFFFAOYSA-N 1 0 352.525 3.206 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c(Cl)c1 ZINC000840940099 730194420 /nfs/dbraw/zinc/19/44/20/730194420.db2.gz VHUXMPPEDJYLCF-UHFFFAOYSA-N 1 0 365.836 3.015 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000840949368 730195711 /nfs/dbraw/zinc/19/57/11/730195711.db2.gz UFMFTEYSLFMUNO-LBPRGKRZSA-N 1 0 351.855 3.015 20 10 FGCDRO Cc1cccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1F ZINC000841494928 730248963 /nfs/dbraw/zinc/24/89/63/730248963.db2.gz FRDQZGSRBKHCMC-UVTDQMKNSA-N 1 0 350.484 3.430 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](C[NH3+])C3)cc2Cl)C1 ZINC000841897142 730284254 /nfs/dbraw/zinc/28/42/54/730284254.db2.gz PXEBGNGKGGEEDJ-ZBFHGGJFSA-N 1 0 364.921 3.067 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccsc1 ZINC000844879861 730784444 /nfs/dbraw/zinc/78/44/44/730784444.db2.gz MDYNLMSQISJSMF-AWEZNQCLSA-N 1 0 353.875 3.209 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000846206255 730936475 /nfs/dbraw/zinc/93/64/75/730936475.db2.gz OQHVZEDCHPSEMC-ABAIWWIYSA-N 1 0 367.287 3.206 20 10 FGCDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C3=CC(=O)CS3)C2)s1 ZINC000846653098 730970762 /nfs/dbraw/zinc/97/07/62/730970762.db2.gz ZUWRLCMYXCSQPC-CYBMUJFWSA-N 1 0 350.509 3.418 20 10 FGCDRO CCN1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848520169 731174771 /nfs/dbraw/zinc/17/47/71/731174771.db2.gz PNJVSSCYLKABNA-LLVKDONJSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000848524587 731175218 /nfs/dbraw/zinc/17/52/18/731175218.db2.gz HDDQHCMOCQLANC-WDEREUQCSA-N 1 0 366.259 3.235 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1O ZINC000848529175 731175982 /nfs/dbraw/zinc/17/59/82/731175982.db2.gz LADUFVOELQHBHH-NXEZZACHSA-N 1 0 354.248 3.309 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000848532258 731176400 /nfs/dbraw/zinc/17/64/00/731176400.db2.gz BJMPDIOBSUBKDS-QWRGUYRKSA-N 1 0 354.248 3.099 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cc(C)nn2C)c1O ZINC000848549299 731179763 /nfs/dbraw/zinc/17/97/63/731179763.db2.gz SFZVQKUPYZVALK-JTQLQIEISA-N 1 0 354.248 3.056 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCn3ccnc32)c1O ZINC000848553386 731180544 /nfs/dbraw/zinc/18/05/44/731180544.db2.gz LEYAFQZWTJGTPP-CABZTGNLSA-N 1 0 352.232 3.155 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)c1O ZINC000848553559 731181008 /nfs/dbraw/zinc/18/10/08/731181008.db2.gz LEYAFQZWTJGTPP-SKDRFNHKSA-N 1 0 352.232 3.155 20 10 FGCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000849069262 731225877 /nfs/dbraw/zinc/22/58/77/731225877.db2.gz BFBSJURHAQLXOS-UHFFFAOYSA-N 1 0 354.523 3.362 20 10 FGCDRO COc1cccc(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)c1O ZINC000849082526 731226923 /nfs/dbraw/zinc/22/69/23/731226923.db2.gz ZILQZLZGWBWVIT-UHFFFAOYSA-N 1 0 355.316 3.436 20 10 FGCDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000849095283 731228694 /nfs/dbraw/zinc/22/86/94/731228694.db2.gz QLCPAWNFBRWKTP-UHFFFAOYSA-N 1 0 355.316 3.436 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350803 731251366 /nfs/dbraw/zinc/25/13/66/731251366.db2.gz XCYCUEJSWJVLPS-AWEZNQCLSA-N 1 0 353.304 3.366 20 10 FGCDRO COCc1csc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000850072974 731315074 /nfs/dbraw/zinc/31/50/74/731315074.db2.gz SHOFRJSBDMFEFC-UHFFFAOYSA-N 1 0 364.486 3.285 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(Br)cn3)C2)cc1 ZINC000850347594 731345206 /nfs/dbraw/zinc/34/52/06/731345206.db2.gz UMLPERSKSXSMDC-HNNXBMFYSA-N 1 0 362.271 3.221 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn4cc(Cl)ccc4n3)C2)cc1 ZINC000850347687 731345813 /nfs/dbraw/zinc/34/58/13/731345813.db2.gz VWUYNVUILMPJBD-OAHLLOKOSA-N 1 0 356.857 3.365 20 10 FGCDRO COc1cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000850349854 731346171 /nfs/dbraw/zinc/34/61/71/731346171.db2.gz LLPQOXXWMBIXQD-XMMPIXPASA-N 1 0 367.433 3.099 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 ZINC000850368956 731349017 /nfs/dbraw/zinc/34/90/17/731349017.db2.gz QFWAUGGTCRUOTQ-SJLPKXTDSA-N 1 0 352.544 3.368 20 10 FGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000850407351 731353343 /nfs/dbraw/zinc/35/33/43/731353343.db2.gz FOLAEYYTHNFUMB-FQEVSTJZSA-N 1 0 350.478 3.347 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000850545545 731371548 /nfs/dbraw/zinc/37/15/48/731371548.db2.gz HBDLIVIYNPYCEN-JQWIXIFHSA-N 1 0 358.276 3.223 20 10 FGCDRO CCN(Cc1onc(C)c1[N+](=O)[O-])Cc1cc(Br)ccc1O ZINC000851791962 731498687 /nfs/dbraw/zinc/49/86/87/731498687.db2.gz GAKHPCZNLLHVCP-UHFFFAOYSA-N 1 0 370.203 3.381 20 10 FGCDRO CCOc1ccc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000853084199 731662153 /nfs/dbraw/zinc/66/21/53/731662153.db2.gz CEFDPOUOEGEBDE-IBGZPJMESA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c(O)cc1C ZINC000853520361 731716983 /nfs/dbraw/zinc/71/69/83/731716983.db2.gz NXECVLMTRMLIJN-UHFFFAOYSA-N 1 0 352.475 3.444 20 10 FGCDRO COC1CCN(C(C)(C)C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858131719 732183601 /nfs/dbraw/zinc/18/36/01/732183601.db2.gz FSJWLQOCGLYJPD-UHFFFAOYSA-N 1 0 371.319 3.134 20 10 FGCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858191944 732190963 /nfs/dbraw/zinc/19/09/63/732190963.db2.gz FRKABGARJSPBAV-BBRMVZONSA-N 1 0 364.287 3.389 20 10 FGCDRO COC(=O)CC1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000858355449 732206774 /nfs/dbraw/zinc/20/67/74/732206774.db2.gz USJIJTMMEMIOID-UHFFFAOYSA-N 1 0 362.539 3.451 20 10 FGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000862365215 732816351 /nfs/dbraw/zinc/81/63/51/732816351.db2.gz MQRULKYBQTXRGB-ZDUSSCGKSA-N 1 0 368.193 3.434 20 10 FGCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@H]1C(F)(F)F ZINC000862364616 732816580 /nfs/dbraw/zinc/81/65/80/732816580.db2.gz FLDZITRSSBZHGD-MWLCHTKSSA-N 1 0 368.193 3.147 20 10 FGCDRO Cc1cc(C2([NH2+]Cc3ccc(Br)cc3O)CCOCC2)on1 ZINC000862542283 732848016 /nfs/dbraw/zinc/84/80/16/732848016.db2.gz KVKVJAFSDULBNJ-UHFFFAOYSA-N 1 0 367.243 3.247 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c(C(F)(F)F)c1 ZINC000862549947 732849439 /nfs/dbraw/zinc/84/94/39/732849439.db2.gz AWCXEEBIRSLFCQ-INIZCTEOSA-N 1 0 355.404 3.014 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000872119680 735592028 /nfs/dbraw/zinc/59/20/28/735592028.db2.gz IQZBGPOYUQPDMJ-SLFZUYKTSA-N 1 0 350.528 3.149 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000886325855 739245050 /nfs/dbraw/zinc/24/50/50/739245050.db2.gz SOPNZFNJDVMQLM-UHFFFAOYSA-N 1 0 357.885 3.332 20 10 FGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877142088 736192541 /nfs/dbraw/zinc/19/25/41/736192541.db2.gz JXLPEABKMCFYDN-IBGZPJMESA-N 1 0 359.539 3.102 20 10 FGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645099 736698419 /nfs/dbraw/zinc/69/84/19/736698419.db2.gz AMVPIBUIHIFLFY-INIZCTEOSA-N 1 0 363.255 3.341 20 10 FGCDRO COCC1(C2CC2)C[NH+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000877686697 736704873 /nfs/dbraw/zinc/70/48/73/736704873.db2.gz UUWAQSGTEDUMAW-UHFFFAOYSA-N 1 0 356.260 3.022 20 10 FGCDRO Cc1n[nH]c(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)c1C ZINC000885962499 739203239 /nfs/dbraw/zinc/20/32/39/739203239.db2.gz AVAILZOWFFXAIK-UHFFFAOYSA-N 1 0 350.413 3.387 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncsc2C2CC2)[NH+](C)C)cc1 ZINC000891243559 739885987 /nfs/dbraw/zinc/88/59/87/739885987.db2.gz QGHIVVUDZLZMAI-INIZCTEOSA-N 1 0 358.511 3.119 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(O)c1OC ZINC000894102618 742239264 /nfs/dbraw/zinc/23/92/64/742239264.db2.gz PGGDNMAZGOUCQR-CQSZACIVSA-N 1 0 355.793 3.025 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000895535935 742423921 /nfs/dbraw/zinc/42/39/21/742423921.db2.gz FLQJAEYYQPBDGO-OAHLLOKOSA-N 1 0 355.862 3.120 20 10 FGCDRO OCC1(C(F)(F)F)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000897035887 742634618 /nfs/dbraw/zinc/63/46/18/742634618.db2.gz YQBUCTZWHCSVQR-UHFFFAOYSA-N 1 0 368.193 3.292 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000897615748 742695487 /nfs/dbraw/zinc/69/54/87/742695487.db2.gz DMYZJTRXZRLNJH-NSHDSACASA-N 1 0 353.344 3.199 20 10 FGCDRO C[C@@](CO)([NH2+]Cc1cc(F)ccc1O)c1cccc(Br)c1 ZINC000898168898 742752656 /nfs/dbraw/zinc/75/26/56/742752656.db2.gz TUJXPMHCLMRRPI-INIZCTEOSA-N 1 0 354.219 3.291 20 10 FGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000903131591 743810808 /nfs/dbraw/zinc/81/08/08/743810808.db2.gz UVTYYMJJJKWWMW-FOGDFJRCSA-N 1 0 372.259 3.156 20 10 FGCDRO CC[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000903155791 743813916 /nfs/dbraw/zinc/81/39/16/743813916.db2.gz IAAPDMVUXISHRF-PPSBMQLTSA-N 1 0 352.544 3.397 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cc1O ZINC000903391271 743843737 /nfs/dbraw/zinc/84/37/37/743843737.db2.gz XFPDKTJSFHSEBV-ABAIWWIYSA-N 1 0 356.260 3.143 20 10 FGCDRO Cc1cc(C(=O)NCC[NH+](C)C)c(C)n1-c1ccc(Br)cc1 ZINC000914872444 757853597 /nfs/dbraw/zinc/85/35/97/757853597.db2.gz AQCLCAVYRSBFQW-UHFFFAOYSA-N 1 0 364.287 3.148 20 10 FGCDRO Cc1ncsc1CN(Cc1ccc(N(C)C)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000923338652 759103015 /nfs/dbraw/zinc/10/30/15/759103015.db2.gz DOUSBSLGHYHXFD-GOSISDBHSA-N 1 0 358.555 3.438 20 10 FGCDRO OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924717425 759376028 /nfs/dbraw/zinc/37/60/28/759376028.db2.gz URQWGNAKYFQNRL-HKUYNNGSSA-N 1 0 350.478 3.083 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925860041 759562858 /nfs/dbraw/zinc/56/28/58/759562858.db2.gz YWDUFOSYKZVPQH-GHMZBOCLSA-N 1 0 373.280 3.035 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cc(Br)ccc1O ZINC000927105176 759892868 /nfs/dbraw/zinc/89/28/68/759892868.db2.gz QNMCIMKPLGPCHX-SWLSCSKDSA-N 1 0 369.303 3.059 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000779023314 724381798 /nfs/dbraw/zinc/38/17/98/724381798.db2.gz FHDYNTRPQOFKKC-TZMCWYRMSA-N 1 0 358.276 3.309 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1O ZINC000779022768 724381869 /nfs/dbraw/zinc/38/18/69/724381869.db2.gz ZRLWERCZNGDBFI-CYBMUJFWSA-N 1 0 371.319 3.225 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000073021399 494306955 /nfs/dbraw/zinc/30/69/55/494306955.db2.gz RQWUJFJJKOKXSV-UHFFFAOYSA-N 1 0 372.440 3.161 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000092485113 494642501 /nfs/dbraw/zinc/64/25/01/494642501.db2.gz WOJBLRWSTVFFFM-UHFFFAOYSA-N 1 0 360.479 3.247 20 10 FGCDRO CCOc1cccc(C[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1O ZINC000092644975 494693946 /nfs/dbraw/zinc/69/39/46/494693946.db2.gz GYWGLWRIBAVTFR-UHFFFAOYSA-N 1 0 370.497 3.299 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)n1-c1ccccn1 ZINC000119230502 495122464 /nfs/dbraw/zinc/12/24/64/495122464.db2.gz FKQURGCJFYJTGV-HKUYNNGSSA-N 1 0 352.482 3.045 20 10 FGCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000186049913 495836693 /nfs/dbraw/zinc/83/66/93/495836693.db2.gz WKOSKWGIGWZZDO-DNVCBOLYSA-N 1 0 354.450 3.161 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000155270743 495899041 /nfs/dbraw/zinc/89/90/41/495899041.db2.gz OPYNYMFJENMBDD-KSSFIOAISA-N 1 0 362.495 3.444 20 10 FGCDRO Cc1ccccc1C[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180940424 496208505 /nfs/dbraw/zinc/20/85/05/496208505.db2.gz VTDBFQDBCPVHMR-VQHVLOKHSA-N 1 0 366.461 3.200 20 10 FGCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000181081308 496263180 /nfs/dbraw/zinc/26/31/80/496263180.db2.gz REQWXSBTYLRDIN-CSKARUKUSA-N 1 0 366.461 3.234 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178568010 496502228 /nfs/dbraw/zinc/50/22/28/496502228.db2.gz KTTNZRNWXRIPMO-CQSZACIVSA-N 1 0 362.420 3.145 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000181814009 496555748 /nfs/dbraw/zinc/55/57/48/496555748.db2.gz GJRCMSGAUUUTPR-HKUYNNGSSA-N 1 0 351.494 3.452 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000163783040 496556892 /nfs/dbraw/zinc/55/68/92/496556892.db2.gz WDKVVIYVVRZTLW-INIZCTEOSA-N 1 0 355.482 3.070 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000184909436 496581733 /nfs/dbraw/zinc/58/17/33/496581733.db2.gz RVLNVTHGZTXLFG-MAUKXSAKSA-N 1 0 360.454 3.026 20 10 FGCDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000184982573 496610745 /nfs/dbraw/zinc/61/07/45/496610745.db2.gz CKPOSJJNNZFOLX-LBPRGKRZSA-N 1 0 369.303 3.452 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185049002 496636478 /nfs/dbraw/zinc/63/64/78/496636478.db2.gz AFVLCIFCORSCSK-KXBFYZLASA-N 1 0 354.450 3.415 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000165193838 496651217 /nfs/dbraw/zinc/65/12/17/496651217.db2.gz AJOFKDOXOGMSJT-AWEZNQCLSA-N 1 0 359.401 3.421 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165803938 496669269 /nfs/dbraw/zinc/66/92/69/496669269.db2.gz QKMYJOGZULEIER-UKRRQHHQSA-N 1 0 356.532 3.162 20 10 FGCDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Br)ccc1O ZINC000185206229 496702802 /nfs/dbraw/zinc/70/28/02/496702802.db2.gz WJOTURGEYVWIMQ-CQSZACIVSA-N 1 0 355.276 3.208 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000185322443 496728887 /nfs/dbraw/zinc/72/88/87/496728887.db2.gz XFDUKFWJBGIDNO-VXGBXAGGSA-N 1 0 368.886 3.366 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273391222 496792490 /nfs/dbraw/zinc/79/24/90/496792490.db2.gz KUZHPDCVWPWAOV-CABCVRRESA-N 1 0 362.495 3.329 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1O ZINC000265096404 497047034 /nfs/dbraw/zinc/04/70/34/497047034.db2.gz QEALAPITIXDXIL-UHFFFAOYSA-N 1 0 354.309 3.200 20 10 FGCDRO COc1c(O)c(C[NH+]2CCC(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000278437558 497114373 /nfs/dbraw/zinc/11/43/73/497114373.db2.gz VERCCDFLAODJKO-UHFFFAOYSA-N 1 0 363.439 3.454 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CCC1CC[NH2+]CC1 ZINC000236915834 497168774 /nfs/dbraw/zinc/16/87/74/497168774.db2.gz ZVOHXTDYRLIMKP-UHFFFAOYSA-N 1 0 369.303 3.283 20 10 FGCDRO CCS(=O)(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000278721439 497201090 /nfs/dbraw/zinc/20/10/90/497201090.db2.gz PSKGLRSXTSEUEB-UHFFFAOYSA-N 1 0 359.491 3.458 20 10 FGCDRO COc1ccc([C@@H]2[C@@H](CNC(=O)Cc3ccc(N)cc3)CCC[N@@H+]2C)cc1 ZINC000237300427 497216916 /nfs/dbraw/zinc/21/69/16/497216916.db2.gz MVRSLLICLAIDFE-XMSQKQJNSA-N 1 0 367.493 3.019 20 10 FGCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cn1 ZINC000279132006 497343690 /nfs/dbraw/zinc/34/36/90/497343690.db2.gz RBBBPDADAJSEAE-JTQLQIEISA-N 1 0 364.243 3.359 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cc(Br)ccc1O ZINC000279409401 497431719 /nfs/dbraw/zinc/43/17/19/497431719.db2.gz DRATYNMIJZJMAW-HNNXBMFYSA-N 1 0 365.271 3.403 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)cc1OC ZINC000279933880 497593541 /nfs/dbraw/zinc/59/35/41/497593541.db2.gz YFYAZLWLHMDHPB-UHFFFAOYSA-N 1 0 371.477 3.287 20 10 FGCDRO C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272633047 497685969 /nfs/dbraw/zinc/68/59/69/497685969.db2.gz KQLCTRAXMRCPND-OJYYBLKUSA-N 1 0 366.461 3.138 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000272719443 497711745 /nfs/dbraw/zinc/71/17/45/497711745.db2.gz MOUVATHLFIBHOJ-MRXNPFEDSA-N 1 0 372.538 3.299 20 10 FGCDRO COc1cc(O)c(C[NH2+]CC2CCN(c3ccccc3)CC2)cc1OC ZINC000280473670 497765274 /nfs/dbraw/zinc/76/52/74/497765274.db2.gz CWJXAGUWCKPLJG-UHFFFAOYSA-N 1 0 356.466 3.416 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccccc1O ZINC000284737248 497883911 /nfs/dbraw/zinc/88/39/11/497883911.db2.gz DVRAMZBIRZOQRZ-CBGDNZLLSA-N 1 0 368.481 3.061 20 10 FGCDRO Cc1cc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c(C)n1-c1ccccn1 ZINC000295996593 497884084 /nfs/dbraw/zinc/88/40/84/497884084.db2.gz VGLCVQPYNYKSMU-SFHVURJKSA-N 1 0 363.465 3.446 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000364624794 498056132 /nfs/dbraw/zinc/05/61/32/498056132.db2.gz QZLYWXNQUXIJIK-AWEZNQCLSA-N 1 0 372.440 3.495 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nnc(C)[nH]4)C3)cc2)CC1 ZINC000296679849 498150244 /nfs/dbraw/zinc/15/02/44/498150244.db2.gz BARLCDSAJWLPJZ-SFHVURJKSA-N 1 0 369.513 3.108 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000364942261 498220374 /nfs/dbraw/zinc/22/03/74/498220374.db2.gz FMWVMIYUMCUKOX-OAQYLSRUSA-N 1 0 354.494 3.247 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)OCO2 ZINC000281960446 498335496 /nfs/dbraw/zinc/33/54/96/498335496.db2.gz QSUVCOKOOWROCH-CQSZACIVSA-N 1 0 355.438 3.033 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCC(=O)N2 ZINC000286251109 498340067 /nfs/dbraw/zinc/34/00/67/498340067.db2.gz UKFKTWQWDOHIBV-CQSZACIVSA-N 1 0 351.450 3.251 20 10 FGCDRO CC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000297167726 498341386 /nfs/dbraw/zinc/34/13/86/498341386.db2.gz DFICGTQOBJEGAC-GXOAENINSA-N 1 0 352.544 3.397 20 10 FGCDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c(F)ccc(O)c1O ZINC000297551901 498490316 /nfs/dbraw/zinc/49/03/16/498490316.db2.gz QWJDYLIYGFXMET-UHFFFAOYSA-N 1 0 373.428 3.011 20 10 FGCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286734517 498492652 /nfs/dbraw/zinc/49/26/52/498492652.db2.gz TXAPVIYKQRBAFY-FXAWDEMLSA-N 1 0 356.514 3.055 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1OC ZINC000291095796 498792379 /nfs/dbraw/zinc/79/23/79/498792379.db2.gz YXDDTKYPDYZYIF-CQSZACIVSA-N 1 0 360.429 3.165 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000294966288 498865614 /nfs/dbraw/zinc/86/56/14/498865614.db2.gz LIJRHVHYYWWZKF-GOSISDBHSA-N 1 0 374.525 3.465 20 10 FGCDRO COc1c(O)c(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000295137250 498922460 /nfs/dbraw/zinc/92/24/60/498922460.db2.gz YZXZPBXCULILLW-HNNXBMFYSA-N 1 0 366.801 3.128 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c(O)c1 ZINC000363862360 499028997 /nfs/dbraw/zinc/02/89/97/499028997.db2.gz YUCVPFREIZTXOL-ZBFHGGJFSA-N 1 0 356.470 3.276 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c(O)c1 ZINC000363862357 499029996 /nfs/dbraw/zinc/02/99/96/499029996.db2.gz YUCVPFREIZTXOL-GDBMZVCRSA-N 1 0 356.470 3.276 20 10 FGCDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C2 ZINC000363862453 499030022 /nfs/dbraw/zinc/03/00/22/499030022.db2.gz YYZVBSHVMPKNGQ-YPMHNXCESA-N 1 0 350.260 3.325 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1O ZINC000367221113 499163987 /nfs/dbraw/zinc/16/39/87/499163987.db2.gz CXWYKHJGJFEMSY-UHFFFAOYSA-N 1 0 355.438 3.037 20 10 FGCDRO CN(C(=[NH2+])NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CC1 ZINC000367811259 499234993 /nfs/dbraw/zinc/23/49/93/499234993.db2.gz UIQWNNACSWHLLX-LBPRGKRZSA-N 1 0 356.392 3.030 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000368330059 499285971 /nfs/dbraw/zinc/28/59/71/499285971.db2.gz FXSLXZVWJUFSJQ-AWEZNQCLSA-N 1 0 370.449 3.062 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000371338187 499313078 /nfs/dbraw/zinc/31/30/78/499313078.db2.gz ZEBQTAZHLLRGOK-UHFFFAOYSA-N 1 0 350.260 3.497 20 10 FGCDRO COc1ccc(-n2c(C)cc(C(=O)N3[C@@H]4CC[C@H]3C[C@H]([NH3+])C4)c2C)cc1 ZINC000368794224 499333389 /nfs/dbraw/zinc/33/33/89/499333389.db2.gz AISNDLWMQCCUJE-XGWQRUHWSA-N 1 0 353.466 3.197 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373536303 499475691 /nfs/dbraw/zinc/47/56/91/499475691.db2.gz VNRIHEHATUGOKG-IBGZPJMESA-N 1 0 358.825 3.150 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(c3nnc(C)s3)CC2)cc1 ZINC000378638608 499540134 /nfs/dbraw/zinc/54/01/34/499540134.db2.gz RHBMHIWALZWZFT-UHFFFAOYSA-N 1 0 359.543 3.451 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)c3ccc(F)cc3)CC2)cc1 ZINC000377141315 499665468 /nfs/dbraw/zinc/66/54/68/499665468.db2.gz IJLQZTYAGWGOTN-NRFANRHFSA-N 1 0 358.457 3.300 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(C)c3O)CC2)c1C ZINC000377695271 499721081 /nfs/dbraw/zinc/72/10/81/499721081.db2.gz JPUBTVZGFWKBCC-UHFFFAOYSA-N 1 0 357.454 3.219 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC(F)(F)F)C1 ZINC000435815544 501032983 /nfs/dbraw/zinc/03/29/83/501032983.db2.gz FPLUCMSIQXUMTQ-UHFFFAOYSA-N 1 0 367.415 3.476 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCCO2)C1 ZINC000435821655 501034060 /nfs/dbraw/zinc/03/40/60/501034060.db2.gz GYFSRNKFIZAMFX-JOCHJYFZSA-N 1 0 369.509 3.093 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000471238703 501964649 /nfs/dbraw/zinc/96/46/49/501964649.db2.gz MEEQVUNOFGBYHR-UHFFFAOYSA-N 1 0 369.509 3.138 20 10 FGCDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)[C@H]1CCOC1 ZINC000462978133 502648095 /nfs/dbraw/zinc/64/80/95/502648095.db2.gz IRKGEZPRBGMJGJ-KRWDZBQOSA-N 1 0 369.509 3.045 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000520798893 504585343 /nfs/dbraw/zinc/58/53/43/504585343.db2.gz AAJVRYMQMQSWQA-UHFFFAOYSA-N 1 0 360.454 3.189 20 10 FGCDRO COc1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1O ZINC000826216455 608570144 /nfs/dbraw/zinc/57/01/44/608570144.db2.gz ZQPOSNVJEYBRFJ-UHFFFAOYSA-N 1 0 367.453 3.239 20 10 FGCDRO CCOc1cccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1O ZINC000093512671 700451649 /nfs/dbraw/zinc/45/16/49/700451649.db2.gz WARCGJULTTVLMP-UHFFFAOYSA-N 1 0 361.873 3.157 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)CCC(C)C)c1O ZINC000124022371 700713765 /nfs/dbraw/zinc/71/37/65/700713765.db2.gz FEFPGKUOXSSGIG-INIZCTEOSA-N 1 0 360.292 3.440 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000125147818 700731079 /nfs/dbraw/zinc/73/10/79/700731079.db2.gz MXCLPVXJFAGWMM-CXAGYDPISA-N 1 0 350.846 3.154 20 10 FGCDRO CS[C@H](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000128186224 700771803 /nfs/dbraw/zinc/77/18/03/700771803.db2.gz GMQSMICBAPHTEX-IUODEOHRSA-N 1 0 356.919 3.268 20 10 FGCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000153755317 705011128 /nfs/dbraw/zinc/01/11/28/705011128.db2.gz RIMPKWCQAHCAKH-CQSZACIVSA-N 1 0 356.561 3.189 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000164462700 705329389 /nfs/dbraw/zinc/32/93/89/705329389.db2.gz PXZVKBPNEOJWLV-OAHLLOKOSA-N 1 0 350.459 3.150 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000180654258 705751470 /nfs/dbraw/zinc/75/14/70/705751470.db2.gz RTOHKSIITUATHM-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccccc1O ZINC000237474578 713592237 /nfs/dbraw/zinc/59/22/37/713592237.db2.gz COMRVAQXHVJMAQ-ZFWWWQNUSA-N 1 0 350.459 3.242 20 10 FGCDRO CN(Cc1cn2c(n1)CCCC2)Cc1cc(Br)ccc1O ZINC000373883821 713879908 /nfs/dbraw/zinc/87/99/08/713879908.db2.gz VTUXJRLBEXBADB-UHFFFAOYSA-N 1 0 350.260 3.320 20 10 FGCDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)n1 ZINC000374256224 713908460 /nfs/dbraw/zinc/90/84/60/713908460.db2.gz MPLKPKLIFDRWFD-OAHLLOKOSA-N 1 0 365.275 3.028 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)c(O)c1 ZINC000388527400 713987301 /nfs/dbraw/zinc/98/73/01/713987301.db2.gz JXZUNYIPRYMWNN-UHFFFAOYSA-N 1 0 364.239 3.388 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1O ZINC000779431954 724413247 /nfs/dbraw/zinc/41/32/47/724413247.db2.gz IKBJHPIMVWKZET-UONOGXRCSA-N 1 0 372.303 3.392 20 10 FGCDRO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769516937 723688564 /nfs/dbraw/zinc/68/85/64/723688564.db2.gz VQGHWTBEJRQHIH-HNNXBMFYSA-N 1 0 371.319 3.087 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOC1 ZINC000780723210 724495589 /nfs/dbraw/zinc/49/55/89/724495589.db2.gz HEKPIJVQCZIJSN-HDMKZQKVSA-N 1 0 352.906 3.415 20 10 FGCDRO O=C(NCc1cc(Br)ccc1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000804734600 724546561 /nfs/dbraw/zinc/54/65/61/724546561.db2.gz SFBGKZDSMJNJKO-OAHLLOKOSA-N 1 0 367.287 3.178 20 10 FGCDRO C[NH+](C)Cc1ccsc1C(=O)NCc1cc(Br)ccc1O ZINC000804739252 724548522 /nfs/dbraw/zinc/54/85/22/724548522.db2.gz CGFCXSKYXCWYIL-UHFFFAOYSA-N 1 0 369.284 3.208 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000782777233 724699836 /nfs/dbraw/zinc/69/98/36/724699836.db2.gz KXYBGMXIFYQJMZ-DNVCBOLYSA-N 1 0 350.478 3.254 20 10 FGCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000740006409 722534732 /nfs/dbraw/zinc/53/47/32/722534732.db2.gz MIHOVHFOLYYTLN-LPHOPBHVSA-N 1 0 360.885 3.018 20 10 FGCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000742388311 722556764 /nfs/dbraw/zinc/55/67/64/722556764.db2.gz OAVQAWQJKCYJJB-UHFFFAOYSA-N 1 0 363.841 3.320 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000753731320 722910935 /nfs/dbraw/zinc/91/09/35/722910935.db2.gz NBSPJBIIZYIZEK-QFBILLFUSA-N 1 0 350.528 3.295 20 10 FGCDRO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1c1c(F)cccc1F ZINC000756148992 722961248 /nfs/dbraw/zinc/96/12/48/722961248.db2.gz IQXVJILQEJZXPK-AWEZNQCLSA-N 1 0 352.768 3.219 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756489973 722965503 /nfs/dbraw/zinc/96/55/03/722965503.db2.gz RHEBCAMQXABQGS-WHXUTIOJSA-N 1 0 373.266 3.249 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000756511610 722965956 /nfs/dbraw/zinc/96/59/56/722965956.db2.gz QYXGNKUEQIEZRI-BLLLJJGKSA-N 1 0 363.454 3.414 20 10 FGCDRO C[C@H]([NH2+]CCCNc1ncccn1)c1ccc(Br)cc1O ZINC000756641078 722968142 /nfs/dbraw/zinc/96/81/42/722968142.db2.gz FWZMYWDYEKQVQL-NSHDSACASA-N 1 0 351.248 3.098 20 10 FGCDRO CCCCCSC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758232256 722986682 /nfs/dbraw/zinc/98/66/82/722986682.db2.gz QSBGJMPUJBCQRZ-GOSISDBHSA-N 1 0 352.544 3.102 20 10 FGCDRO COCCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000759959627 723031043 /nfs/dbraw/zinc/03/10/43/723031043.db2.gz WYMNTNMSUIEXKJ-INIZCTEOSA-N 1 0 368.905 3.189 20 10 FGCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761213040 723133965 /nfs/dbraw/zinc/13/39/65/723133965.db2.gz BNGZDTWTKUCHKZ-CYBMUJFWSA-N 1 0 355.862 3.465 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000790734705 723171272 /nfs/dbraw/zinc/17/12/72/723171272.db2.gz CQOAXGYLGXHMHQ-OCCSQVGLSA-N 1 0 351.393 3.181 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCNC(=O)C2CCC2)c(C(F)(F)F)c1 ZINC000793009535 723392203 /nfs/dbraw/zinc/39/22/03/723392203.db2.gz JISYPUPREZEJBH-UHFFFAOYSA-N 1 0 357.420 3.167 20 10 FGCDRO C[C@H](NCCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764667297 723435820 /nfs/dbraw/zinc/43/58/20/723435820.db2.gz QTBCZTXKGKOFMB-INIZCTEOSA-N 1 0 351.922 3.313 20 10 FGCDRO CC[C@H](C)[C@@H](OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689961 723461139 /nfs/dbraw/zinc/46/11/39/723461139.db2.gz QXOYEPNRTPSQSX-FDQGKXFDSA-N 1 0 368.905 3.187 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCOCC1 ZINC000765286222 723502221 /nfs/dbraw/zinc/50/22/21/723502221.db2.gz JISXUJSALDVERE-LJQANCHMSA-N 1 0 350.478 3.082 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 ZINC000765977373 723549526 /nfs/dbraw/zinc/54/95/26/723549526.db2.gz GUKICEYVWBYAQT-FQEVSTJZSA-N 1 0 358.507 3.162 20 10 FGCDRO CC(C)CC(CC(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765976816 723549580 /nfs/dbraw/zinc/54/95/80/723549580.db2.gz ATPQOXFRVNAWQW-UHFFFAOYSA-N 1 0 366.571 3.472 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584770 723582381 /nfs/dbraw/zinc/58/23/81/723582381.db2.gz OJZBIQSAFKETNH-AUSJPIAWSA-N 1 0 363.933 3.310 20 10 FGCDRO CNC(=O)C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000795603655 723601737 /nfs/dbraw/zinc/60/17/37/723601737.db2.gz IBECHCMFOQHTFO-OAHLLOKOSA-N 1 0 363.255 3.122 20 10 FGCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000795695835 723606005 /nfs/dbraw/zinc/60/60/05/723606005.db2.gz VYTRJMKFWSAEBL-KRWDZBQOSA-N 1 0 357.372 3.198 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1F ZINC000767426933 723618914 /nfs/dbraw/zinc/61/89/14/723618914.db2.gz WCVGUPDJLFFVPH-MRXNPFEDSA-N 1 0 367.262 3.477 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768247243 723651660 /nfs/dbraw/zinc/65/16/60/723651660.db2.gz AJRNJPXHMHWTAU-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO C[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437971 723657533 /nfs/dbraw/zinc/65/75/33/723657533.db2.gz MAAAPXBPAZRFGJ-MRXNPFEDSA-N 1 0 364.239 3.213 20 10 FGCDRO O=C(CC[C@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911108 723671889 /nfs/dbraw/zinc/67/18/89/723671889.db2.gz CAFIDTZJKMFKMY-IAGOWNOFSA-N 1 0 366.889 3.085 20 10 FGCDRO CCCCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915060 723672135 /nfs/dbraw/zinc/67/21/35/723672135.db2.gz INKSUVAMYQDZIP-RHSMWYFYSA-N 1 0 368.905 3.331 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000769291355 723681526 /nfs/dbraw/zinc/68/15/26/723681526.db2.gz NYLQQBOAFGPHAN-BETUJISGSA-N 1 0 369.303 3.376 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 ZINC000773082914 723776287 /nfs/dbraw/zinc/77/62/87/723776287.db2.gz XLXVXZWOBBPHLB-YLJYHZDGSA-N 1 0 362.539 3.308 20 10 FGCDRO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798184412 723911662 /nfs/dbraw/zinc/91/16/62/723911662.db2.gz USUNQGCGTSGZCO-CQSZACIVSA-N 1 0 359.436 3.089 20 10 FGCDRO C[NH+]1CCC2(CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000798956753 723979364 /nfs/dbraw/zinc/97/93/64/723979364.db2.gz NCJTWKSCMWPOOM-UHFFFAOYSA-N 1 0 353.850 3.262 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)c1 ZINC000775371929 723986065 /nfs/dbraw/zinc/98/60/65/723986065.db2.gz VOCOPXIMWWIBKR-JTQLQIEISA-N 1 0 360.845 3.495 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1cnc(OC)nc1C ZINC000799125075 723989580 /nfs/dbraw/zinc/98/95/80/723989580.db2.gz FAPFGONKNBYWEQ-UHFFFAOYSA-N 1 0 366.259 3.284 20 10 FGCDRO Oc1ccccc1CN(Cc1cc(C(F)(F)F)n[nH]1)C[C@H]1CCCO1 ZINC000799729860 724088506 /nfs/dbraw/zinc/08/85/06/724088506.db2.gz XIJLLABYPKQDEO-CQSZACIVSA-N 1 0 355.360 3.315 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1O ZINC000776253596 724123817 /nfs/dbraw/zinc/12/38/17/724123817.db2.gz SPUWRTUATMDQBV-GOSISDBHSA-N 1 0 362.267 3.387 20 10 FGCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000776953473 724198491 /nfs/dbraw/zinc/19/84/91/724198491.db2.gz NKNVDBSKVUPYHL-QZTJIDSGSA-N 1 0 350.478 3.346 20 10 FGCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800493662 724202843 /nfs/dbraw/zinc/20/28/43/724202843.db2.gz PFYGRTIFXHGFHM-ZIAGYGMSSA-N 1 0 358.935 3.099 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(Cl)ccc1O ZINC000800503828 724204293 /nfs/dbraw/zinc/20/42/93/724204293.db2.gz GIUYWQGZADXRAP-AWEZNQCLSA-N 1 0 367.898 3.354 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)[C@@H](O)CO2 ZINC000800865020 724239647 /nfs/dbraw/zinc/23/96/47/724239647.db2.gz WRABIVJPRPWDEG-HOCLYGCPSA-N 1 0 357.372 3.373 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1F ZINC000786825926 725002128 /nfs/dbraw/zinc/00/21/28/725002128.db2.gz BRSAIMSQTPEVGV-UHFFFAOYSA-N 1 0 370.515 3.427 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1O)[C@H]1CCCO1 ZINC000788622310 725076607 /nfs/dbraw/zinc/07/66/07/725076607.db2.gz AMWNIRNISMDBQM-BYCMXARLSA-N 1 0 358.276 3.308 20 10 FGCDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(Br)c1O ZINC000807416387 725160987 /nfs/dbraw/zinc/16/09/87/725160987.db2.gz DEJGOXGAPBDSBT-CYBMUJFWSA-N 1 0 355.276 3.035 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2COc3ccccc32)c1O ZINC000808450784 725201813 /nfs/dbraw/zinc/20/18/13/725201813.db2.gz ACLCYFRYEBOVPI-GFCCVEGCSA-N 1 0 364.239 3.429 20 10 FGCDRO [NH3+]CCN(Cc1cccc(Br)c1O)c1ccccc1[N+](=O)[O-] ZINC000809728357 725263289 /nfs/dbraw/zinc/26/32/89/725263289.db2.gz UMCQXUGKFJDGNE-UHFFFAOYSA-N 1 0 366.215 3.028 20 10 FGCDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000809738493 725263896 /nfs/dbraw/zinc/26/38/96/725263896.db2.gz ZROCLMIAJBQFOP-UHFFFAOYSA-N 1 0 350.409 3.243 20 10 FGCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(F)cc2F)c1O ZINC000809737705 725263929 /nfs/dbraw/zinc/26/39/29/725263929.db2.gz LHUCMKPPJUCDEM-UHFFFAOYSA-N 1 0 350.409 3.243 20 10 FGCDRO CCCN(CC[NH+]1CCCCCC1)Cc1cc(OC)c(OC)cc1O ZINC000809787462 725268790 /nfs/dbraw/zinc/26/87/90/725268790.db2.gz DPDKLCFAPLITKT-UHFFFAOYSA-N 1 0 350.503 3.497 20 10 FGCDRO Cc1nnc(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1 ZINC000810159201 725293690 /nfs/dbraw/zinc/29/36/90/725293690.db2.gz IHNBGURPQHXZBT-UHFFFAOYSA-N 1 0 361.471 3.077 20 10 FGCDRO CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1O ZINC000810207938 725296797 /nfs/dbraw/zinc/29/67/97/725296797.db2.gz QWXLFOHIVLQIBB-ZDUSSCGKSA-N 1 0 356.344 3.475 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810227696 725298199 /nfs/dbraw/zinc/29/81/99/725298199.db2.gz ZVNSLAWENQORBV-FDEJFUCISA-N 1 0 356.388 3.461 20 10 FGCDRO Cn1c(=O)c(C[NH2+]Cc2cc(Br)ccc2O)cc2ccccc21 ZINC000813790243 726914690 /nfs/dbraw/zinc/91/46/90/726914690.db2.gz KYELHBLIORZHLH-UHFFFAOYSA-N 1 0 373.250 3.296 20 10 FGCDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815578196 727084712 /nfs/dbraw/zinc/08/47/12/727084712.db2.gz JOBQWPTXLPZEQX-KGLIPLIRSA-N 1 0 360.420 3.299 20 10 FGCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2CC1CCS(=O)(=O)CC1 ZINC000817298833 727238378 /nfs/dbraw/zinc/23/83/78/727238378.db2.gz PVMPVVKLCNXKBR-KRWDZBQOSA-N 1 0 351.512 3.155 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1F ZINC000818964346 727331657 /nfs/dbraw/zinc/33/16/57/727331657.db2.gz SAYAJGQUBGGEED-LJQANCHMSA-N 1 0 364.461 3.341 20 10 FGCDRO C[C@H]1CN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2F)C[C@H](C)O1 ZINC000818966329 727331927 /nfs/dbraw/zinc/33/19/27/727331927.db2.gz IDQOQSGARDNDBF-HOTGVXAUSA-N 1 0 350.478 3.224 20 10 FGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)COc1cccc2[nH]ccc21 ZINC000819063975 727343784 /nfs/dbraw/zinc/34/37/84/727343784.db2.gz QZCXBMDTLLEHLN-ZDUSSCGKSA-N 1 0 363.508 3.136 20 10 FGCDRO O[C@@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)CC(F)(F)F ZINC000819121564 727349869 /nfs/dbraw/zinc/34/98/69/727349869.db2.gz WYUMLOOVRCITCK-WCQYABFASA-N 1 0 368.346 3.160 20 10 FGCDRO CSc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+](C)C)cc1 ZINC000819341752 727369294 /nfs/dbraw/zinc/36/92/94/727369294.db2.gz LPFSWNSUPDLMKI-MRXNPFEDSA-N 1 0 360.479 3.161 20 10 FGCDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824081008 729318948 /nfs/dbraw/zinc/31/89/48/729318948.db2.gz RCXBSZFYACRVOQ-UHFFFAOYSA-N 1 0 360.527 3.088 20 10 FGCDRO COC(=O)c1csc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000876998795 736173130 /nfs/dbraw/zinc/17/31/30/736173130.db2.gz NHELYCFZJPUPAE-UHFFFAOYSA-N 1 0 360.479 3.302 20 10 FGCDRO C[C@H]([NH2+]CCSCc1ccccc1-c1nn[nH]n1)c1ccccc1O ZINC000824607299 729350376 /nfs/dbraw/zinc/35/03/76/729350376.db2.gz WVBURTRRMRHUAV-ZDUSSCGKSA-N 1 0 355.467 3.156 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825197105 729374270 /nfs/dbraw/zinc/37/42/70/729374270.db2.gz GIMIQJZPXITACO-GFCCVEGCSA-N 1 0 368.886 3.113 20 10 FGCDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(C)n1-c1cccc(C)c1 ZINC000825202144 729374408 /nfs/dbraw/zinc/37/44/08/729374408.db2.gz PMWOAOWLICRCPK-MRXNPFEDSA-N 1 0 353.388 3.412 20 10 FGCDRO Fc1cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000825215255 729374811 /nfs/dbraw/zinc/37/48/11/729374811.db2.gz JFCLPJHEOMMHDE-IBGZPJMESA-N 1 0 350.503 3.381 20 10 FGCDRO OCC[C@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825298305 729377596 /nfs/dbraw/zinc/37/75/96/729377596.db2.gz YPZQIPMFABJYJS-CQSZACIVSA-N 1 0 350.256 3.411 20 10 FGCDRO CC1([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)OCCO1 ZINC000825501148 729385543 /nfs/dbraw/zinc/38/55/43/729385543.db2.gz LKVMWELQKMEGAN-ZDUSSCGKSA-N 1 0 356.260 3.130 20 10 FGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825651829 729390411 /nfs/dbraw/zinc/39/04/11/729390411.db2.gz MBESPJUWFCLEHJ-INIZCTEOSA-N 1 0 350.256 3.156 20 10 FGCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccnn1C ZINC000825666472 729390710 /nfs/dbraw/zinc/39/07/10/729390710.db2.gz KRRIIUXYTRWPAC-CQSZACIVSA-N 1 0 352.276 3.418 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000825685652 729391441 /nfs/dbraw/zinc/39/14/41/729391441.db2.gz ICULYXFJKBJHEA-QGZVFWFLSA-N 1 0 362.832 3.384 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000825710408 729392335 /nfs/dbraw/zinc/39/23/35/729392335.db2.gz OSGZUIWJNHRHQS-UHFFFAOYSA-N 1 0 360.145 3.161 20 10 FGCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825893140 729398746 /nfs/dbraw/zinc/39/87/46/729398746.db2.gz QBZCDKGPUVQFNG-NRFANRHFSA-N 1 0 368.296 3.323 20 10 FGCDRO CCOC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000830544978 729570078 /nfs/dbraw/zinc/57/00/78/729570078.db2.gz VBFLZVMLYSACSL-MRXNPFEDSA-N 1 0 366.889 3.085 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2ccc(Cl)s2)cc1 ZINC000832271971 729701378 /nfs/dbraw/zinc/70/13/78/729701378.db2.gz APUILLPXRSPBEV-HNNXBMFYSA-N 1 0 351.903 3.216 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000832274043 729701628 /nfs/dbraw/zinc/70/16/28/729701628.db2.gz RIPKTUIEDMRHBD-IIAWOOMASA-N 1 0 357.420 3.237 20 10 FGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000834597271 729817146 /nfs/dbraw/zinc/81/71/46/729817146.db2.gz FYHVSKKXNZBBPW-HOCLYGCPSA-N 1 0 361.825 3.127 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000834836108 729838094 /nfs/dbraw/zinc/83/80/94/729838094.db2.gz LJRFVLJYELZVHE-XZNOPERXSA-N 1 0 355.475 3.273 20 10 FGCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000834880684 729841902 /nfs/dbraw/zinc/84/19/02/729841902.db2.gz NQURWOPEMMMJOP-TYNCELHUSA-N 1 0 358.276 3.165 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c(O)c1C ZINC000834882021 729841945 /nfs/dbraw/zinc/84/19/45/729841945.db2.gz HVWPERYWIUIRFA-OAHLLOKOSA-N 1 0 362.495 3.110 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC(C)(C)OCC2CC2)c1O ZINC000840960772 730198100 /nfs/dbraw/zinc/19/81/00/730198100.db2.gz UQFALZCOBXAGMM-UHFFFAOYSA-N 1 0 358.276 3.458 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000840963247 730198243 /nfs/dbraw/zinc/19/82/43/730198243.db2.gz MMCNJMBMYQNDMP-YLJYHZDGSA-N 1 0 360.523 3.262 20 10 FGCDRO COc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1OC ZINC000841044613 730205860 /nfs/dbraw/zinc/20/58/60/730205860.db2.gz WTDGTNMRJKUOIL-MRXNPFEDSA-N 1 0 363.889 3.213 20 10 FGCDRO COc1cc(Cl)cc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1O ZINC000841102978 730211647 /nfs/dbraw/zinc/21/16/47/730211647.db2.gz BJQSLUNEEFYCMM-JKSUJKDBSA-N 1 0 350.821 3.120 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1O ZINC000841757650 730271211 /nfs/dbraw/zinc/27/12/11/730271211.db2.gz OGXFGKJRAOECGV-GXTWGEPZSA-N 1 0 370.877 3.332 20 10 FGCDRO Cc1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n(C)n1 ZINC000841859337 730281637 /nfs/dbraw/zinc/28/16/37/730281637.db2.gz BKGCXSBKZJDMDM-UHFFFAOYSA-N 1 0 350.413 3.089 20 10 FGCDRO CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000842921367 730557108 /nfs/dbraw/zinc/55/71/08/730557108.db2.gz XZDMHLSKACYFIG-WMLDXEAASA-N 1 0 372.303 3.373 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843126595 730588876 /nfs/dbraw/zinc/58/88/76/730588876.db2.gz LBUBYAAGNGEDOE-CHWSQXEVSA-N 1 0 353.850 3.165 20 10 FGCDRO CCC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccccc1O ZINC000844301646 730700117 /nfs/dbraw/zinc/70/01/17/730700117.db2.gz VEVOITGTXSJXGD-UHFFFAOYSA-N 1 0 368.886 3.105 20 10 FGCDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccccc1 ZINC000845082258 730808354 /nfs/dbraw/zinc/80/83/54/730808354.db2.gz VZRSBDNHCNTRAL-AEFFLSMTSA-N 1 0 359.857 3.290 20 10 FGCDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccccc1 ZINC000845082260 730808369 /nfs/dbraw/zinc/80/83/69/730808369.db2.gz VZRSBDNHCNTRAL-SJLPKXTDSA-N 1 0 359.857 3.290 20 10 FGCDRO C[NH+](C)CCc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000845140387 730812851 /nfs/dbraw/zinc/81/28/51/730812851.db2.gz VMTKXDWTUIPKLN-UHFFFAOYSA-N 1 0 361.873 3.149 20 10 FGCDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000846054821 730923935 /nfs/dbraw/zinc/92/39/35/730923935.db2.gz HCAUSPBAPMROJU-CYBMUJFWSA-N 1 0 362.857 3.482 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000846145349 730932055 /nfs/dbraw/zinc/93/20/55/730932055.db2.gz OAKPSFQMHWIZQW-KGLIPLIRSA-N 1 0 350.459 3.451 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCCC2)c1O ZINC000848519766 731174578 /nfs/dbraw/zinc/17/45/78/731174578.db2.gz UILQVCXHZIHLTC-LBPRGKRZSA-N 1 0 357.292 3.300 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000848527937 731175706 /nfs/dbraw/zinc/17/57/06/731175706.db2.gz AHZMIOYXWLPRLN-NTZNESFSSA-N 1 0 357.292 3.297 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1O ZINC000848532256 731176441 /nfs/dbraw/zinc/17/64/41/731176441.db2.gz BJMPDIOBSUBKDS-GHMZBOCLSA-N 1 0 354.248 3.099 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1O ZINC000848534144 731176621 /nfs/dbraw/zinc/17/66/21/731176621.db2.gz YAPUYQKTHRQPMY-DGCLKSJQSA-N 1 0 374.275 3.010 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1O ZINC000848551320 731180108 /nfs/dbraw/zinc/18/01/08/731180108.db2.gz JPKAYTQVFHVRCO-MWLCHTKSSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000848553387 731180656 /nfs/dbraw/zinc/18/06/56/731180656.db2.gz LEYAFQZWTJGTPP-JOYOIKCWSA-N 1 0 352.232 3.155 20 10 FGCDRO C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1O ZINC000848557978 731181311 /nfs/dbraw/zinc/18/13/11/731181311.db2.gz MGRAFYFWGFKBMS-FQUUOJAGSA-N 1 0 371.319 3.303 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000848565773 731182677 /nfs/dbraw/zinc/18/26/77/731182677.db2.gz LWIGTJFGXWONFC-JTQLQIEISA-N 1 0 374.275 3.231 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)cc1OC ZINC000848926599 731221453 /nfs/dbraw/zinc/22/14/53/731221453.db2.gz TZEZQFYADOQHDE-AWEZNQCLSA-N 1 0 353.459 3.113 20 10 FGCDRO COc1ccc(O)c(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1 ZINC000849102574 731229619 /nfs/dbraw/zinc/22/96/19/731229619.db2.gz XXHNDGJCYWXJDB-UHFFFAOYSA-N 1 0 353.344 3.234 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)nc4sc(C)cn34)C2)cc1 ZINC000850345668 731345090 /nfs/dbraw/zinc/34/50/90/731345090.db2.gz HLCNTGCZOOQVMM-OAHLLOKOSA-N 1 0 356.495 3.390 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4ccc(Cl)cn34)C2)cc1 ZINC000850346497 731345363 /nfs/dbraw/zinc/34/53/63/731345363.db2.gz GNSYTIRGONJUTN-HNNXBMFYSA-N 1 0 356.857 3.365 20 10 FGCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000850391285 731351328 /nfs/dbraw/zinc/35/13/28/731351328.db2.gz LFBAVEAISBISGE-UHFFFAOYSA-N 1 0 350.260 3.446 20 10 FGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000850545576 731371681 /nfs/dbraw/zinc/37/16/81/731371681.db2.gz HILXZNLYJOWLTQ-MORSLUCNSA-N 1 0 350.890 3.131 20 10 FGCDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCCSc3nccs3)cc21 ZINC000852806671 731637078 /nfs/dbraw/zinc/63/70/78/731637078.db2.gz VWHGHVYZNMBQOF-HNNXBMFYSA-N 1 0 361.536 3.434 20 10 FGCDRO COc1cc(CCC[NH2+]Cc2cc(Cl)ccc2O)cc(OC)c1O ZINC000856811517 732063691 /nfs/dbraw/zinc/06/36/91/732063691.db2.gz AXOYPILVJRMWMB-UHFFFAOYSA-N 1 0 351.830 3.491 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cscc2C(F)(F)F)cc1 ZINC000856995510 732089310 /nfs/dbraw/zinc/08/93/10/732089310.db2.gz YIYCKBMBHUZYBQ-CQSZACIVSA-N 1 0 357.401 3.263 20 10 FGCDRO COc1cccc(C[NH2+]Cc2c(O)cccc2Br)c1OC ZINC000858100660 732180656 /nfs/dbraw/zinc/18/06/56/732180656.db2.gz LVNKMXIMJWEBLL-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]CCc2csc(N3CCCC3)n2)cc1F ZINC000858140892 732184930 /nfs/dbraw/zinc/18/49/30/732184930.db2.gz KRDCTGDVKJERPM-UHFFFAOYSA-N 1 0 366.481 3.420 20 10 FGCDRO O=c1nc(Cl)cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000858405697 732211501 /nfs/dbraw/zinc/21/15/01/732211501.db2.gz NLBLLWORQLXGFN-LBPRGKRZSA-N 1 0 369.252 3.271 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1O ZINC000858589592 732229277 /nfs/dbraw/zinc/22/92/77/732229277.db2.gz QJVDQSIUJIIOGY-KCQAQPDRSA-N 1 0 350.459 3.449 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c2c1c(F)ccc2O ZINC000872118663 735591508 /nfs/dbraw/zinc/59/15/08/735591508.db2.gz FGXQZCBZQYBPSZ-JBMNRGHBSA-N 1 0 353.459 3.025 20 10 FGCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000876913602 736161947 /nfs/dbraw/zinc/16/19/47/736161947.db2.gz RXHHYWGTZBPQNG-FQEVSTJZSA-N 1 0 359.539 3.102 20 10 FGCDRO COCCc1ncc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000877520800 736677653 /nfs/dbraw/zinc/67/76/53/736677653.db2.gz IEZMXYINTJOKAW-UHFFFAOYSA-N 1 0 357.273 3.090 20 10 FGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000886142557 739222337 /nfs/dbraw/zinc/22/23/37/739222337.db2.gz FPLFNQOQOXMRTR-JKSUJKDBSA-N 1 0 354.441 3.239 20 10 FGCDRO CN(C)c1ccc(-c2nc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)cs2)cc1 ZINC000887378501 739363123 /nfs/dbraw/zinc/36/31/23/739363123.db2.gz HRNZVXNZURSNCK-OAHLLOKOSA-N 1 0 354.483 3.059 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892743226 740039682 /nfs/dbraw/zinc/03/96/82/740039682.db2.gz LLXWTSZXSVWWIW-AEFFLSMTSA-N 1 0 364.555 3.368 20 10 FGCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1O ZINC000894368475 742273897 /nfs/dbraw/zinc/27/38/97/742273897.db2.gz QYSRTLWRJGAMAR-HNNXBMFYSA-N 1 0 366.255 3.295 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000894501714 742292825 /nfs/dbraw/zinc/29/28/25/742292825.db2.gz FNVFKRSIJGCQFV-VIFPVBQESA-N 1 0 353.216 3.115 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000898099769 742744714 /nfs/dbraw/zinc/74/47/14/742744714.db2.gz CKNMYMYYUUBBDK-YEORSEQZSA-N 1 0 370.877 3.447 20 10 FGCDRO CC[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000903211873 743823054 /nfs/dbraw/zinc/82/30/54/743823054.db2.gz FLKDZKFZOBMGPI-RISCZKNCSA-N 1 0 355.276 3.064 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000903424241 743848453 /nfs/dbraw/zinc/84/84/53/743848453.db2.gz OYRVFPVNXKPLOV-GFCCVEGCSA-N 1 0 368.886 3.292 20 10 FGCDRO COc1ccc(Cl)cc1NC(=S)NCc1cc(N(C)C)cc[nH+]1 ZINC000905617640 744037081 /nfs/dbraw/zinc/03/70/81/744037081.db2.gz HGFCTCXUNVNCAH-UHFFFAOYSA-N 1 0 350.875 3.296 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CC[C@H](N(C)C)C(F)(F)F)CC2)cc1 ZINC000922754507 758998680 /nfs/dbraw/zinc/99/86/80/758998680.db2.gz LEFXFMITQVEMNN-KRWDZBQOSA-N 1 0 359.436 3.136 20 10 FGCDRO COc1ccc(N2CCC[N@H+](CCOC3CCSCC3)CC2)cc1 ZINC000929315534 760357835 /nfs/dbraw/zinc/35/78/35/760357835.db2.gz LKJQQOAVXRGAKC-UHFFFAOYSA-N 1 0 350.528 3.120 20 10 FGCDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779022750 724381857 /nfs/dbraw/zinc/38/18/57/724381857.db2.gz YRPJEIFQSLWTMD-YPMHNXCESA-N 1 0 371.275 3.345 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccon2)C1 ZINC000577343180 505708529 /nfs/dbraw/zinc/70/85/29/505708529.db2.gz NGUFSGFFBALIKJ-HNNXBMFYSA-N 1 0 366.465 3.273 20 10 FGCDRO COC(=O)c1ccc(C[N@H+](C)C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000072801466 494253392 /nfs/dbraw/zinc/25/33/92/494253392.db2.gz JQDVUJVVVYYNLT-UHFFFAOYSA-N 1 0 358.438 3.176 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000126283814 494696266 /nfs/dbraw/zinc/69/62/66/494696266.db2.gz KCGHBDCNBGLCRJ-UHFFFAOYSA-N 1 0 357.429 3.031 20 10 FGCDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)Cc1ccccc1O ZINC000109770670 494916430 /nfs/dbraw/zinc/91/64/30/494916430.db2.gz RBDPLBUCIWIYAL-AWEZNQCLSA-N 1 0 356.422 3.013 20 10 FGCDRO COc1cccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109772008 494916870 /nfs/dbraw/zinc/91/68/70/494916870.db2.gz NXJVZASXAAULNA-LJQANCHMSA-N 1 0 354.450 3.196 20 10 FGCDRO C[C@@H]1C[C@H](CNC(=O)N(C)Cc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC000119324225 495142032 /nfs/dbraw/zinc/14/20/32/495142032.db2.gz LVZBSOFJAIQNOY-IEBWSBKVSA-N 1 0 367.493 3.444 20 10 FGCDRO Cc1nc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)oc1C ZINC000103134112 495197385 /nfs/dbraw/zinc/19/73/85/495197385.db2.gz SUBMNLWFFBRUCJ-UHFFFAOYSA-N 1 0 351.450 3.468 20 10 FGCDRO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185367439 495551037 /nfs/dbraw/zinc/55/10/37/495551037.db2.gz AEYRVGRWPIPREO-CYBMUJFWSA-N 1 0 360.329 3.377 20 10 FGCDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3cc(OC)ccc3O)CC2)ncn1 ZINC000185642644 495658797 /nfs/dbraw/zinc/65/87/97/495658797.db2.gz IEUOKTLVLCRFEC-AWEZNQCLSA-N 1 0 356.470 3.073 20 10 FGCDRO Cn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C(C)(C)C)n1 ZINC000179617226 495663238 /nfs/dbraw/zinc/66/32/38/495663238.db2.gz FFWYEUYQOVCVDE-UHFFFAOYSA-N 1 0 356.514 3.186 20 10 FGCDRO CC1(C(=O)NCCc2ccc(O)c(O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000159461964 495738168 /nfs/dbraw/zinc/73/81/68/495738168.db2.gz CREHHCBWMYCSSQ-UHFFFAOYSA-N 1 0 368.477 3.059 20 10 FGCDRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179941345 495792286 /nfs/dbraw/zinc/79/22/86/495792286.db2.gz CREUDMYSSDRQFB-UHFFFAOYSA-N 1 0 363.820 3.430 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000179986158 495811391 /nfs/dbraw/zinc/81/13/91/495811391.db2.gz QMMQVUJVCZGCBI-PXNSSMCTSA-N 1 0 360.498 3.250 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000186020597 495823325 /nfs/dbraw/zinc/82/33/25/495823325.db2.gz SXMWEPXUHYBYKL-OAHLLOKOSA-N 1 0 354.450 3.374 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000183122431 495843825 /nfs/dbraw/zinc/84/38/25/495843825.db2.gz NURRNUSFWMXCRT-UHFFFAOYSA-N 1 0 369.461 3.353 20 10 FGCDRO COc1cc(O)c(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1OC ZINC000180243296 495922115 /nfs/dbraw/zinc/92/21/15/495922115.db2.gz PIFQBWOKUKXONW-SFHVURJKSA-N 1 0 357.450 3.281 20 10 FGCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000183477123 496002419 /nfs/dbraw/zinc/00/24/19/496002419.db2.gz DQISPHYXLHVDQV-OAHLLOKOSA-N 1 0 354.450 3.055 20 10 FGCDRO COc1ccc(N2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000155875175 496094287 /nfs/dbraw/zinc/09/42/87/496094287.db2.gz YNEUTJIVQVLTSF-UHFFFAOYSA-N 1 0 367.493 3.109 20 10 FGCDRO C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC000181120504 496278209 /nfs/dbraw/zinc/27/82/09/496278209.db2.gz AOYXSHIQNKHFIF-APNNGBSVSA-N 1 0 372.490 3.372 20 10 FGCDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000178189478 496363160 /nfs/dbraw/zinc/36/31/60/496363160.db2.gz BDPYUWLKZRWTIT-CQSZACIVSA-N 1 0 360.420 3.447 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000187722474 496546668 /nfs/dbraw/zinc/54/66/68/496546668.db2.gz ZPXICJMOWZXGQR-JKIFEVAISA-N 1 0 356.457 3.458 20 10 FGCDRO C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187737305 496551232 /nfs/dbraw/zinc/55/12/32/496551232.db2.gz VSBXXQXKLKODFP-OAHLLOKOSA-N 1 0 367.484 3.271 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000163804552 496559588 /nfs/dbraw/zinc/55/95/88/496559588.db2.gz NJSQDPVVTUPXHN-OAQYLSRUSA-N 1 0 369.509 3.461 20 10 FGCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185007041 496619107 /nfs/dbraw/zinc/61/91/07/496619107.db2.gz ACJZVIMKDNWBDH-INIZCTEOSA-N 1 0 369.509 3.187 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000185260502 496720044 /nfs/dbraw/zinc/72/00/44/496720044.db2.gz DRFFXHWSAKMJIT-OXJNMPFZSA-N 1 0 368.477 3.285 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000268783402 496784211 /nfs/dbraw/zinc/78/42/11/496784211.db2.gz YYASWFNPECDRKT-QGZVFWFLSA-N 1 0 367.493 3.076 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273391224 496792609 /nfs/dbraw/zinc/79/26/09/496792609.db2.gz KUZHPDCVWPWAOV-GJZGRUSLSA-N 1 0 362.495 3.329 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000268923985 496824052 /nfs/dbraw/zinc/82/40/52/496824052.db2.gz VPWYNTZVOWWZRD-BTYIYWSLSA-N 1 0 364.493 3.242 20 10 FGCDRO COc1ccc(O)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000273517951 496828338 /nfs/dbraw/zinc/82/83/38/496828338.db2.gz SXFNRAPCAHOBGT-OAHLLOKOSA-N 1 0 370.497 3.499 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(O)c1C ZINC000273531905 496832698 /nfs/dbraw/zinc/83/26/98/496832698.db2.gz WJOJMIWVAZHXHM-MRXNPFEDSA-N 1 0 368.543 3.110 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)ccc1OC ZINC000277633227 496836013 /nfs/dbraw/zinc/83/60/13/496836013.db2.gz CJOOZIRBWWWRBY-IBGZPJMESA-N 1 0 372.513 3.032 20 10 FGCDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000273611045 496852940 /nfs/dbraw/zinc/85/29/40/496852940.db2.gz VWBFAGNLXUCBDH-FNBIGBAISA-N 1 0 355.276 3.253 20 10 FGCDRO Cc1nc(F)ccc1/C=C1\SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000278226621 497042874 /nfs/dbraw/zinc/04/28/74/497042874.db2.gz JXJMFMZCQJDDMG-JYRVWZFOSA-N 1 0 367.515 3.318 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270209511 497078111 /nfs/dbraw/zinc/07/81/11/497078111.db2.gz ZXFKBWNJOYAKRX-UYAOXDASSA-N 1 0 366.465 3.459 20 10 FGCDRO COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000278430989 497112280 /nfs/dbraw/zinc/11/22/80/497112280.db2.gz UWQVSBCALNSACF-BBTUJRGHSA-N 1 0 373.493 3.368 20 10 FGCDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000192481677 497128395 /nfs/dbraw/zinc/12/83/95/497128395.db2.gz XVBJBUQXUBLIQU-SUMWQHHRSA-N 1 0 358.404 3.057 20 10 FGCDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(C)o1 ZINC000278499324 497134724 /nfs/dbraw/zinc/13/47/24/497134724.db2.gz NGDXTEMRQOUNKW-ZDUSSCGKSA-N 1 0 350.371 3.078 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1O ZINC000274912359 497197378 /nfs/dbraw/zinc/19/73/78/497197378.db2.gz NNUUJAGPIBMIBX-LJQANCHMSA-N 1 0 354.450 3.106 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1O ZINC000274969418 497207535 /nfs/dbraw/zinc/20/75/35/497207535.db2.gz VYUODVISMOEYCE-UHFFFAOYSA-N 1 0 356.470 3.098 20 10 FGCDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237528309 497251331 /nfs/dbraw/zinc/25/13/31/497251331.db2.gz KQXSMSHHRIYFJH-UWJYYQICSA-N 1 0 351.494 3.323 20 10 FGCDRO COc1ccccc1COC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271233528 497298773 /nfs/dbraw/zinc/29/87/73/497298773.db2.gz VLEPJFMICNDCSB-UHFFFAOYSA-N 1 0 371.433 3.311 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(Br)cc1O ZINC000279007604 497300706 /nfs/dbraw/zinc/30/07/06/497300706.db2.gz SKNNDMZQQGQPQB-RYUDHWBXSA-N 1 0 350.260 3.264 20 10 FGCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000272301649 497590843 /nfs/dbraw/zinc/59/08/43/497590843.db2.gz PSYDTUMLNKXPOK-UHFFFAOYSA-N 1 0 350.478 3.223 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(C)cc1O ZINC000279957396 497601720 /nfs/dbraw/zinc/60/17/20/497601720.db2.gz CDNSYXGTXBSBMS-HXUWFJFHSA-N 1 0 368.477 3.414 20 10 FGCDRO CCCOc1ccc(C[N@H+]2C[C@@H](c3cnn(C(C)C)c3)[C@H](CO)C2)c(O)c1 ZINC000284544781 497823431 /nfs/dbraw/zinc/82/34/31/497823431.db2.gz HKFBEJXWLNJYEK-ICSRJNTNSA-N 1 0 373.497 3.166 20 10 FGCDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856253 497831877 /nfs/dbraw/zinc/83/18/77/497831877.db2.gz BONKDQHBZACGQH-WMQCIHAUSA-N 1 0 372.509 3.075 20 10 FGCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000280728369 497874477 /nfs/dbraw/zinc/87/44/77/497874477.db2.gz YSDIDZHHKBQONL-UHFFFAOYSA-N 1 0 366.387 3.415 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701884 498100384 /nfs/dbraw/zinc/10/03/84/498100384.db2.gz DPTHBNACJAOCSC-MRXNPFEDSA-N 1 0 353.422 3.206 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3nc(C)cs3)C2)c1 ZINC000360792118 498311493 /nfs/dbraw/zinc/31/14/93/498311493.db2.gz JWCLOXTZWFQXFG-CYBMUJFWSA-N 1 0 361.467 3.016 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)cc1 ZINC000361109268 498346986 /nfs/dbraw/zinc/34/69/86/498346986.db2.gz SSUWIUNIQVZZSP-LJQANCHMSA-N 1 0 361.493 3.040 20 10 FGCDRO COC1CCN(c2ccc(CN3CCC[C@@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000297321308 498404505 /nfs/dbraw/zinc/40/45/05/498404505.db2.gz ZOVCMIJHFOHPLS-OAQYLSRUSA-N 1 0 357.542 3.362 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000290252714 498483656 /nfs/dbraw/zinc/48/36/56/498483656.db2.gz VVGWXOSANNBCIS-UHFFFAOYSA-N 1 0 352.784 3.171 20 10 FGCDRO CCn1cnnc1[C@@H]1C[N@@H+]([C@@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525684 498513670 /nfs/dbraw/zinc/51/36/70/498513670.db2.gz CWPKKLMKOUOQTH-KSSFIOAISA-N 1 0 352.438 3.291 20 10 FGCDRO CCOc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)ccc1O ZINC000297739304 498554413 /nfs/dbraw/zinc/55/44/13/498554413.db2.gz KJXLGITYIKUXOU-UHFFFAOYSA-N 1 0 356.466 3.260 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCc2nccnc2C)c1O ZINC000294965768 498865354 /nfs/dbraw/zinc/86/53/54/498865354.db2.gz JNRHWKLFSLOUHV-NSHDSACASA-N 1 0 350.260 3.455 20 10 FGCDRO COC1CCN(c2ccc(CN3C[C@H]([NH+]4CCCC4)C[C@H]3C)cc2)CC1 ZINC000295272091 498962038 /nfs/dbraw/zinc/96/20/38/498962038.db2.gz JPWVSQURICNSQY-WIYYLYMNSA-N 1 0 357.542 3.360 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c1O ZINC000283827755 498994978 /nfs/dbraw/zinc/99/49/78/498994978.db2.gz DWSQDXPGLDJAGM-AWEZNQCLSA-N 1 0 363.479 3.435 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1OC ZINC000291614326 499012267 /nfs/dbraw/zinc/01/22/67/499012267.db2.gz RGURRMBXMJQMCB-KRWDZBQOSA-N 1 0 354.450 3.046 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000295432052 499016057 /nfs/dbraw/zinc/01/60/57/499016057.db2.gz TWAVTRYQJVVDPO-LLVKDONJSA-N 1 0 350.825 3.102 20 10 FGCDRO COc1ccc(O)c(CNc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c1 ZINC000363854613 499027177 /nfs/dbraw/zinc/02/71/77/499027177.db2.gz GAZJQCCJXNKJDA-UHFFFAOYSA-N 1 0 356.466 3.142 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000372597138 499151569 /nfs/dbraw/zinc/15/15/69/499151569.db2.gz XGAJVIUFCCDRBM-RDTXWAMCSA-N 1 0 358.482 3.185 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c1 ZINC000372602072 499152496 /nfs/dbraw/zinc/15/24/96/499152496.db2.gz VLHYRFFAGAAFOC-CQSZACIVSA-N 1 0 355.438 3.208 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710238 499164636 /nfs/dbraw/zinc/16/46/36/499164636.db2.gz CEEPYWSDEGQNMX-QGZVFWFLSA-N 1 0 372.513 3.447 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1O ZINC000367956554 499249394 /nfs/dbraw/zinc/24/93/94/499249394.db2.gz CDKMZHWAHQTBAL-MRXNPFEDSA-N 1 0 358.276 3.004 20 10 FGCDRO Cc1cn[nH]c1C[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000368082610 499262401 /nfs/dbraw/zinc/26/24/01/499262401.db2.gz XOFIMIKWBWEWNU-UHFFFAOYSA-N 1 0 354.376 3.375 20 10 FGCDRO Cc1ccccc1C1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000371331574 499311194 /nfs/dbraw/zinc/31/11/94/499311194.db2.gz JAXDKUJGFLXESX-UHFFFAOYSA-N 1 0 366.505 3.315 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1O ZINC000371396796 499320650 /nfs/dbraw/zinc/32/06/50/499320650.db2.gz UKPBJAIYSDQWLX-AWEZNQCLSA-N 1 0 361.467 3.098 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ccc(N2CCC(O)CC2)cc1 ZINC000368726070 499325549 /nfs/dbraw/zinc/32/55/49/499325549.db2.gz CRYRXKZRARSCEB-QGZVFWFLSA-N 1 0 365.521 3.491 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCOc3ccccc3C2)c(O)c1 ZINC000371870792 499373995 /nfs/dbraw/zinc/37/39/95/499373995.db2.gz UAXLIWWBOITLRQ-INIZCTEOSA-N 1 0 354.450 3.163 20 10 FGCDRO Cc1nc(C[NH2+]Cc2cc(Br)ccc2O)c2n1CCCC2 ZINC000373135784 499453137 /nfs/dbraw/zinc/45/31/37/499453137.db2.gz AJCKTINKBJTFNH-UHFFFAOYSA-N 1 0 350.260 3.286 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c(O)c1C ZINC000373255276 499460086 /nfs/dbraw/zinc/46/00/86/499460086.db2.gz JJUKTTCZETVKIQ-HOTGVXAUSA-N 1 0 353.466 3.037 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)ccc1O ZINC000373258509 499460232 /nfs/dbraw/zinc/46/02/32/499460232.db2.gz ZKVZOABAKRBUEO-TZMCWYRMSA-N 1 0 359.857 3.074 20 10 FGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1 ZINC000378344555 499504274 /nfs/dbraw/zinc/50/42/74/499504274.db2.gz ALYJIDDOLDISNX-OAHLLOKOSA-N 1 0 351.410 3.268 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375414129 499515827 /nfs/dbraw/zinc/51/58/27/499515827.db2.gz LLMYHWCHYJZORJ-LLVKDONJSA-N 1 0 364.243 3.405 20 10 FGCDRO COc1cc(OC)cc(C2(O)CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000378445752 499517540 /nfs/dbraw/zinc/51/75/40/499517540.db2.gz WEGUQGGVFCRFGZ-UHFFFAOYSA-N 1 0 357.450 3.201 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1O ZINC000377757152 499729333 /nfs/dbraw/zinc/72/93/33/499729333.db2.gz UHUOUBKDTVZDTL-AAEUAGOBSA-N 1 0 350.260 3.476 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccnc2)C1 ZINC000435860036 501037993 /nfs/dbraw/zinc/03/79/93/501037993.db2.gz CRFLOVKZPKRBJS-UHFFFAOYSA-N 1 0 362.477 3.466 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000471680625 502107237 /nfs/dbraw/zinc/10/72/37/502107237.db2.gz RMLRUDPZGZZTMB-UHFFFAOYSA-N 1 0 354.498 3.160 20 10 FGCDRO CCC[N@H+](CC)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000472218397 502273631 /nfs/dbraw/zinc/27/36/31/502273631.db2.gz BUUHMRSTJLNEKH-UHFFFAOYSA-N 1 0 359.514 3.366 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000472234507 502279861 /nfs/dbraw/zinc/27/98/61/502279861.db2.gz RDHMVYFVOMCRQJ-QGZVFWFLSA-N 1 0 354.498 3.257 20 10 FGCDRO CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000529805539 503709528 /nfs/dbraw/zinc/70/95/28/503709528.db2.gz USCKLBQGWVQREQ-SFHVURJKSA-N 1 0 354.450 3.080 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCc4ccccc4O3)C1)[C@H](O)CO2 ZINC000530102851 503838089 /nfs/dbraw/zinc/83/80/89/503838089.db2.gz BIOLUVBMFNQIMK-KNQAVFIVSA-N 1 0 367.445 3.178 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C2CCCC2)c1O ZINC000527804747 503952041 /nfs/dbraw/zinc/95/20/41/503952041.db2.gz AYHWSZHNZUXVIY-OAHLLOKOSA-N 1 0 369.303 3.270 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528147324 504091341 /nfs/dbraw/zinc/09/13/41/504091341.db2.gz LBNFCYPQRRUBIU-INIZCTEOSA-N 1 0 351.878 3.252 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)ccc21 ZINC000538921038 504417486 /nfs/dbraw/zinc/41/74/86/504417486.db2.gz DKYNPTVDUDOYJZ-SJORKVTESA-N 1 0 357.498 3.069 20 10 FGCDRO Cc1c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cnn1C ZINC000562470011 504831091 /nfs/dbraw/zinc/83/10/91/504831091.db2.gz BFIZDAKLFCVKTQ-UHFFFAOYSA-N 1 0 365.481 3.088 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ncc[nH]3)no2)C1 ZINC000552040353 505378540 /nfs/dbraw/zinc/37/85/40/505378540.db2.gz LFZWMBNFMPOSAZ-UHFFFAOYSA-N 1 0 362.437 3.229 20 10 FGCDRO CCC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000821100277 606904307 /nfs/dbraw/zinc/90/43/07/606904307.db2.gz XEKZCKCYMFZNPI-UHFFFAOYSA-N 1 0 367.453 3.253 20 10 FGCDRO CC[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000825142995 608281771 /nfs/dbraw/zinc/28/17/71/608281771.db2.gz UPLIQAGLCAFHMN-LJQANCHMSA-N 1 0 366.469 3.052 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616897 609332025 /nfs/dbraw/zinc/33/20/25/609332025.db2.gz AOMZURZAQZCRQD-CYBMUJFWSA-N 1 0 366.444 3.239 20 10 FGCDRO CN(C)c1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1F ZINC000069632455 695951793 /nfs/dbraw/zinc/95/17/93/695951793.db2.gz PGCCGSOCXFULBF-MRXNPFEDSA-N 1 0 364.490 3.055 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(O)cccc3Cl)cn2)C[C@@H](C)O1 ZINC000113322397 700570750 /nfs/dbraw/zinc/57/07/50/700570750.db2.gz IITKFYNMACHWRG-ZIAGYGMSSA-N 1 0 361.873 3.344 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000119539299 700632051 /nfs/dbraw/zinc/63/20/51/700632051.db2.gz WAZSJEWZMTXCCJ-INIZCTEOSA-N 1 0 350.256 3.156 20 10 FGCDRO CCC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000122356979 700688267 /nfs/dbraw/zinc/68/82/67/700688267.db2.gz ANDJIFOSIDYEQJ-OAHLLOKOSA-N 1 0 369.527 3.097 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790668 705361816 /nfs/dbraw/zinc/36/18/16/705361816.db2.gz PWTFOSGTMPMDIU-QGZVFWFLSA-N 1 0 355.356 3.331 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000171128980 705375224 /nfs/dbraw/zinc/37/52/24/705375224.db2.gz BKZOHRGGYYRRPU-UHFFFAOYSA-N 1 0 369.870 3.008 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000172122506 705408090 /nfs/dbraw/zinc/40/80/90/705408090.db2.gz NHJCZMXUSUAZNZ-KRWDZBQOSA-N 1 0 360.523 3.236 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)COCC(C)C ZINC000174425466 705504008 /nfs/dbraw/zinc/50/40/08/705504008.db2.gz ULWJMPBUYQZLJL-HNNXBMFYSA-N 1 0 360.292 3.010 20 10 FGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177084209 705605010 /nfs/dbraw/zinc/60/50/10/705605010.db2.gz QGOTUXVKEGWDAS-AWEZNQCLSA-N 1 0 366.889 3.377 20 10 FGCDRO COc1cc(CN2CCN(C(=O)c3ccc(C)s3)CC2)c(O)cc1C ZINC000179439866 705701611 /nfs/dbraw/zinc/70/16/11/705701611.db2.gz CCQGAPSUWUZXEO-UHFFFAOYSA-N 1 0 360.479 3.037 20 10 FGCDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccsc1 ZINC000180652753 705751557 /nfs/dbraw/zinc/75/15/57/705751557.db2.gz JVOQCSFEQZCADD-IQIBNGDESA-N 1 0 360.479 3.372 20 10 FGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000182555261 705849978 /nfs/dbraw/zinc/84/99/78/705849978.db2.gz GNZUYIXDVRSXGL-HNNXBMFYSA-N 1 0 350.528 3.450 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000182909873 705868345 /nfs/dbraw/zinc/86/83/45/705868345.db2.gz HVDUHVQEGTUNAY-PMACEKPBSA-N 1 0 364.555 3.368 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000185490110 712695524 /nfs/dbraw/zinc/69/55/24/712695524.db2.gz QBNAXWBKCVKLNE-AWEZNQCLSA-N 1 0 370.565 3.386 20 10 FGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186164725 712711118 /nfs/dbraw/zinc/71/11/18/712711118.db2.gz ZVBSVWCQVSGWAV-DZGCQCFKSA-N 1 0 351.443 3.434 20 10 FGCDRO Cn1c2ccc(C[NH2+]CCCSc3nccs3)cc2sc1=O ZINC000192594684 712867439 /nfs/dbraw/zinc/86/74/39/712867439.db2.gz CQMACMOBVFLKEJ-UHFFFAOYSA-N 1 0 351.522 3.329 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)cc1C ZINC000375026793 713961522 /nfs/dbraw/zinc/96/15/22/713961522.db2.gz FEJVHQPWLSJGIB-UHFFFAOYSA-N 1 0 359.491 3.013 20 10 FGCDRO COc1cc(O)c(CN(C)C(C)(C)C[NH+]2CCCCCC2)cc1OC ZINC000779194741 724399308 /nfs/dbraw/zinc/39/93/08/724399308.db2.gz ZBFVEEWZPWJCLJ-UHFFFAOYSA-N 1 0 350.503 3.496 20 10 FGCDRO CCc1[nH]ccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000802782318 724406686 /nfs/dbraw/zinc/40/66/86/724406686.db2.gz SAMHYZHRIQTMMG-HNNXBMFYSA-N 1 0 361.873 3.331 20 10 FGCDRO C[N@H+](CCC(=O)NCc1cc(Br)ccc1O)C1CCCCC1 ZINC000804733530 724546156 /nfs/dbraw/zinc/54/61/56/724546156.db2.gz RTYLPGWYGBHSKT-UHFFFAOYSA-N 1 0 369.303 3.426 20 10 FGCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCc3ncsc3C2)c1O ZINC000783546703 724763730 /nfs/dbraw/zinc/76/37/30/724763730.db2.gz SPACJMMZXMYSPD-UHFFFAOYSA-N 1 0 354.431 3.347 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCOc1ccc(Br)cc1 ZINC000729682917 722461623 /nfs/dbraw/zinc/46/16/23/722461623.db2.gz IGCGJEQFQPZYNX-UHFFFAOYSA-N 1 0 352.228 3.332 20 10 FGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000731843416 722478447 /nfs/dbraw/zinc/47/84/47/722478447.db2.gz DIDSZTSDDMUHMZ-HNNXBMFYSA-N 1 0 355.356 3.283 20 10 FGCDRO CN(Cc1cncc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000733613464 722499644 /nfs/dbraw/zinc/49/96/44/722499644.db2.gz XGZNRCQSKCSBSI-UHFFFAOYSA-N 1 0 364.287 3.421 20 10 FGCDRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000734844125 722510457 /nfs/dbraw/zinc/51/04/57/722510457.db2.gz VEXDIHCNWCPDQQ-SJLPKXTDSA-N 1 0 351.368 3.246 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000750055382 722753164 /nfs/dbraw/zinc/75/31/64/722753164.db2.gz ADQWLHFGNOCUSF-HNNXBMFYSA-N 1 0 350.890 3.412 20 10 FGCDRO C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cc(F)ccc1O ZINC000756363648 722963432 /nfs/dbraw/zinc/96/34/32/722963432.db2.gz HMDKSSYPYUBIEA-SECBINFHSA-N 1 0 354.307 3.444 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1O ZINC000756501304 722965738 /nfs/dbraw/zinc/96/57/38/722965738.db2.gz DATSPHPODBHCMW-MWLCHTKSSA-N 1 0 367.209 3.442 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000756738814 722969346 /nfs/dbraw/zinc/96/93/46/722969346.db2.gz LLDOBMOOAJXJEH-JQFCIGGWSA-N 1 0 351.512 3.277 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2O ZINC000756759882 722969662 /nfs/dbraw/zinc/96/96/62/722969662.db2.gz NIJFTNUOJXSOCD-JLLWLGSASA-N 1 0 360.351 3.223 20 10 FGCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1Cl ZINC000758514109 722990898 /nfs/dbraw/zinc/99/08/98/722990898.db2.gz LNRVUXLBRUVSCM-UHFFFAOYSA-N 1 0 360.262 3.392 20 10 FGCDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000759571986 723009540 /nfs/dbraw/zinc/00/95/40/723009540.db2.gz YQTXHNOWGAXWNK-RBSFLKMASA-N 1 0 370.588 3.291 20 10 FGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000759601301 723011207 /nfs/dbraw/zinc/01/12/07/723011207.db2.gz HFESDBGAKJATPA-KBPBESRZSA-N 1 0 356.561 3.140 20 10 FGCDRO CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000761203374 723132702 /nfs/dbraw/zinc/13/27/02/723132702.db2.gz QTELCLINIZPSEN-JKSUJKDBSA-N 1 0 354.878 3.276 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(Br)cc1 ZINC000763425614 723342253 /nfs/dbraw/zinc/34/22/53/723342253.db2.gz SOEOIZVLIQGYAC-CYBMUJFWSA-N 1 0 368.246 3.235 20 10 FGCDRO CC(=O)NCC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792790759 723368073 /nfs/dbraw/zinc/36/80/73/723368073.db2.gz CWLGKSKNKMMDJV-UHFFFAOYSA-N 1 0 357.420 3.120 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000765329550 723506091 /nfs/dbraw/zinc/50/60/91/723506091.db2.gz WBLGOFFVUAHAMU-QGZVFWFLSA-N 1 0 360.523 3.408 20 10 FGCDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981583 723549926 /nfs/dbraw/zinc/54/99/26/723549926.db2.gz XAEBATMPXNRJHR-FUHWJXTLSA-N 1 0 352.544 3.226 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC000768248986 723651771 /nfs/dbraw/zinc/65/17/71/723651771.db2.gz NAYNQDAMAMJNFI-HNNXBMFYSA-N 1 0 351.466 3.333 20 10 FGCDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439464 723657473 /nfs/dbraw/zinc/65/74/73/723657473.db2.gz MDRJRSFSCAEEPR-MRXNPFEDSA-N 1 0 353.340 3.469 20 10 FGCDRO CC(C)[NH+]1CCC(N2CCN(Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000769537652 723689230 /nfs/dbraw/zinc/68/92/30/723689230.db2.gz OAUCCXYYIODSFP-UHFFFAOYSA-N 1 0 351.922 3.036 20 10 FGCDRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000771054506 723726838 /nfs/dbraw/zinc/72/68/38/723726838.db2.gz URUCOZYECHSIJV-GXFFZTMASA-N 1 0 364.795 3.325 20 10 FGCDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000772958420 723773273 /nfs/dbraw/zinc/77/32/73/723773273.db2.gz KEJKCGLOFMQCMD-AWEZNQCLSA-N 1 0 367.921 3.132 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000797139878 723785927 /nfs/dbraw/zinc/78/59/27/723785927.db2.gz JWXYSMZZZXXDOW-OUAUKWLOSA-N 1 0 366.462 3.259 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](CO)CC2CCCC2)c1O ZINC000798504234 723938679 /nfs/dbraw/zinc/93/86/79/723938679.db2.gz YNKZVCINCCZQIP-CYBMUJFWSA-N 1 0 372.303 3.442 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)ccc1O ZINC000775531528 723998427 /nfs/dbraw/zinc/99/84/27/723998427.db2.gz DULKGZAGBMGTSG-AWEZNQCLSA-N 1 0 365.275 3.252 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1O ZINC000775527549 723998593 /nfs/dbraw/zinc/99/85/93/723998593.db2.gz RAPYHCFKXSJXJT-CABCVRRESA-N 1 0 362.861 3.015 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(Br)ccc1O ZINC000775555989 723999925 /nfs/dbraw/zinc/99/99/25/723999925.db2.gz UEIVUVDXMOUZSA-HOTGVXAUSA-N 1 0 372.303 3.373 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c1 ZINC000776175827 724116048 /nfs/dbraw/zinc/11/60/48/724116048.db2.gz UHNLCMVPHCMOFB-QGZVFWFLSA-N 1 0 355.356 3.417 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1 ZINC000776692818 724171026 /nfs/dbraw/zinc/17/10/26/724171026.db2.gz DNOZLUYXADNLIW-ZIAGYGMSSA-N 1 0 350.459 3.231 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CC[NH+](C)C)cc2Cl)C1 ZINC000800720600 724224149 /nfs/dbraw/zinc/22/41/49/724224149.db2.gz VCPMYABBZXWYLC-HNNXBMFYSA-N 1 0 366.937 3.279 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1O ZINC000785986847 724953490 /nfs/dbraw/zinc/95/34/90/724953490.db2.gz ZGPOLHZQTDJAJV-INIZCTEOSA-N 1 0 366.889 3.468 20 10 FGCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000787636555 725033838 /nfs/dbraw/zinc/03/38/38/725033838.db2.gz VKODXKMOUKYBNW-IYBDPMFKSA-N 1 0 357.885 3.381 20 10 FGCDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000788542218 725071908 /nfs/dbraw/zinc/07/19/08/725071908.db2.gz KWRWPSRVXUBZDC-ZDUSSCGKSA-N 1 0 360.420 3.445 20 10 FGCDRO Fc1cc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)ccc1N1CCOCC1 ZINC000806131606 725117017 /nfs/dbraw/zinc/11/70/17/725117017.db2.gz MYMHPDCITGMTKB-MRXNPFEDSA-N 1 0 361.848 3.488 20 10 FGCDRO FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000806130524 725117020 /nfs/dbraw/zinc/11/70/20/725117020.db2.gz ACPPSFPZAMRZKI-GDBMZVCRSA-N 1 0 360.445 3.439 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)c2cccnc2)c(C(F)(F)F)c1 ZINC000808431291 725200868 /nfs/dbraw/zinc/20/08/68/725200868.db2.gz QGWWPAGFEYJWCH-OAHLLOKOSA-N 1 0 353.388 3.032 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1F ZINC000808436589 725201125 /nfs/dbraw/zinc/20/11/25/725201125.db2.gz KLJIQFFPHDMQRJ-UHFFFAOYSA-N 1 0 355.255 3.031 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1O ZINC000808673391 725212908 /nfs/dbraw/zinc/21/29/08/725212908.db2.gz CFVMNGYTZAYXNY-CQSZACIVSA-N 1 0 361.873 3.436 20 10 FGCDRO CCc1oc(C[NH2+]Cc2cc(Br)ccc2O)cc1C(=O)OC ZINC000809712309 725261603 /nfs/dbraw/zinc/26/16/03/725261603.db2.gz IYWHIVTVAORPDN-UHFFFAOYSA-N 1 0 368.227 3.387 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1 ZINC000811479239 725368384 /nfs/dbraw/zinc/36/83/84/725368384.db2.gz BXSSTVGCHYHAQR-HNNXBMFYSA-N 1 0 352.475 3.430 20 10 FGCDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815559403 727083904 /nfs/dbraw/zinc/08/39/04/727083904.db2.gz FZCJGGLNMSKOSR-UONOGXRCSA-N 1 0 359.436 3.088 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000818942097 727328764 /nfs/dbraw/zinc/32/87/64/727328764.db2.gz XFJDXUZZNVNCJD-SFHVURJKSA-N 1 0 352.400 3.465 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)cc1F ZINC000818985291 727334237 /nfs/dbraw/zinc/33/42/37/727334237.db2.gz QXHXKHCDCBHABC-AWEZNQCLSA-N 1 0 352.837 3.075 20 10 FGCDRO O[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)CC(F)(F)F ZINC000819002050 727336628 /nfs/dbraw/zinc/33/66/28/727336628.db2.gz HOJHOJAIVLYZSQ-CYBMUJFWSA-N 1 0 368.346 3.160 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COc1ccc(Cl)cc1 ZINC000819094754 727346878 /nfs/dbraw/zinc/34/68/78/727346878.db2.gz LFCSIDRQUNZPNT-LJQANCHMSA-N 1 0 358.869 3.246 20 10 FGCDRO O[C@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)CC(F)(F)F ZINC000819121568 727349967 /nfs/dbraw/zinc/34/99/67/727349967.db2.gz WYUMLOOVRCITCK-YPMHNXCESA-N 1 0 368.346 3.160 20 10 FGCDRO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c(O)c1O ZINC000819678233 727387815 /nfs/dbraw/zinc/38/78/15/727387815.db2.gz KQRKQXAIEYLMKD-UHFFFAOYSA-N 1 0 361.467 3.272 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(C(F)(F)F)c1 ZINC000822503387 729183231 /nfs/dbraw/zinc/18/32/31/729183231.db2.gz HZWJNSOKUZBIRH-HNNXBMFYSA-N 1 0 353.392 3.200 20 10 FGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650479 729352886 /nfs/dbraw/zinc/35/28/86/729352886.db2.gz QLFFAMZAILEVOG-ZDUSSCGKSA-N 1 0 369.303 3.283 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000824695794 729355608 /nfs/dbraw/zinc/35/56/08/729355608.db2.gz DIPBZPXNTPORKI-HNNXBMFYSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1cccc(C[N@H+](C)C[C@H](O)c2ccccc2Br)c1O ZINC000825305436 729377775 /nfs/dbraw/zinc/37/77/75/729377775.db2.gz JAFGLSYHRYBKJA-HNNXBMFYSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000825331691 729379029 /nfs/dbraw/zinc/37/90/29/729379029.db2.gz LSYLUWMTPZOKME-OLZOCXBDSA-N 1 0 356.260 3.020 20 10 FGCDRO COc1ccc(COCC[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825405981 729382081 /nfs/dbraw/zinc/38/20/81/729382081.db2.gz MUJHIDWECNPOTK-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1Cl ZINC000825525390 729386737 /nfs/dbraw/zinc/38/67/37/729386737.db2.gz DNYMNUGWYKAZAO-INIZCTEOSA-N 1 0 353.871 3.230 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826096790 729405093 /nfs/dbraw/zinc/40/50/93/729405093.db2.gz DDPHCQKDAQCFAP-ZBEGNZNMSA-N 1 0 361.404 3.443 20 10 FGCDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)s1 ZINC000827942901 729437571 /nfs/dbraw/zinc/43/75/71/729437571.db2.gz UHXHAZZRZOZRNV-LLVKDONJSA-N 1 0 350.415 3.154 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)c1 ZINC000828667183 729446410 /nfs/dbraw/zinc/44/64/10/729446410.db2.gz NTXAJGLNAGCISW-NHYWBVRUSA-N 1 0 363.845 3.025 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)c2ccc(Cl)cc2)cc1 ZINC000832267595 729701073 /nfs/dbraw/zinc/70/10/73/729701073.db2.gz WUZMWFXTMJXTDR-GOSISDBHSA-N 1 0 359.901 3.500 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OCCOC(C)C)CC2)c1O ZINC000832487907 729716272 /nfs/dbraw/zinc/71/62/72/729716272.db2.gz BJRAQVFUDQEKEA-UHFFFAOYSA-N 1 0 353.434 3.140 20 10 FGCDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834799134 729835071 /nfs/dbraw/zinc/83/50/71/729835071.db2.gz WJRVROFNRDOMRU-KGLIPLIRSA-N 1 0 356.388 3.303 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC000834821694 729836574 /nfs/dbraw/zinc/83/65/74/729836574.db2.gz SINMBIXWVTXKFA-VXGBXAGGSA-N 1 0 364.287 3.322 20 10 FGCDRO COCCOC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CCOCC1 ZINC000834856797 729839188 /nfs/dbraw/zinc/83/91/88/729839188.db2.gz USKWLEWXTZSUIP-CQSZACIVSA-N 1 0 357.878 3.217 20 10 FGCDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(C)c1O ZINC000835074045 729856743 /nfs/dbraw/zinc/85/67/43/729856743.db2.gz FYEZWNZCMPDQDP-UHFFFAOYSA-N 1 0 351.878 3.353 20 10 FGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935709 730193934 /nfs/dbraw/zinc/19/39/34/730193934.db2.gz AYMDHAOPYJOIDH-SFHVURJKSA-N 1 0 360.523 3.403 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c(Cl)c1 ZINC000840945471 730195073 /nfs/dbraw/zinc/19/50/73/730195073.db2.gz OXUXXZWBKICKMI-CQSZACIVSA-N 1 0 362.857 3.454 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000840977626 730200140 /nfs/dbraw/zinc/20/01/40/730200140.db2.gz WNRBUBBSEXIJPZ-ZDUSSCGKSA-N 1 0 365.319 3.278 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2c(C3CC3)nc3sccn23)cc1 ZINC000841045465 730205594 /nfs/dbraw/zinc/20/55/94/730205594.db2.gz LFWKEJXTDDRBKE-MRXNPFEDSA-N 1 0 355.511 3.129 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnc(-c3ccccn3)s2)cc1 ZINC000841045577 730205802 /nfs/dbraw/zinc/20/58/02/730205802.db2.gz NAIVTEXVIBZLDB-QGZVFWFLSA-N 1 0 353.495 3.061 20 10 FGCDRO COc1cc(Br)cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841085971 730209130 /nfs/dbraw/zinc/20/91/30/730209130.db2.gz DTZZMDQVAOJZKH-IUODEOHRSA-N 1 0 369.303 3.127 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1O ZINC000841758535 730271256 /nfs/dbraw/zinc/27/12/56/730271256.db2.gz SSARJWNHFAIKQZ-NWDGAFQWSA-N 1 0 351.855 3.267 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(Br)ccc1O ZINC000841761365 730271507 /nfs/dbraw/zinc/27/15/07/730271507.db2.gz JJIYDDPOVUYUFC-LBPRGKRZSA-N 1 0 372.303 3.373 20 10 FGCDRO CCn1cncc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841865564 730281626 /nfs/dbraw/zinc/28/16/26/730281626.db2.gz UDPKBRJLCLWFME-CQSZACIVSA-N 1 0 350.413 3.263 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1O ZINC000841889813 730283211 /nfs/dbraw/zinc/28/32/11/730283211.db2.gz HOOBKOGCBRAOAN-UHFFFAOYSA-N 1 0 372.303 3.120 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000843349734 730609461 /nfs/dbraw/zinc/60/94/61/730609461.db2.gz KBBVQLSDYLLRRY-UHFFFAOYSA-N 1 0 364.898 3.025 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000843349794 730609554 /nfs/dbraw/zinc/60/95/54/730609554.db2.gz CPNKATKEAIZAQH-UHFFFAOYSA-N 1 0 366.433 3.094 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cc1 ZINC000843432015 730620561 /nfs/dbraw/zinc/62/05/61/730620561.db2.gz HQVTZVUMJNGARC-QGZVFWFLSA-N 1 0 357.420 3.033 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1cccs1 ZINC000844282087 730698206 /nfs/dbraw/zinc/69/82/06/730698206.db2.gz SIJLLHOHCZAETQ-CYBMUJFWSA-N 1 0 353.875 3.209 20 10 FGCDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845065601 730806944 /nfs/dbraw/zinc/80/69/44/730806944.db2.gz FJTFFMYPSPQQHY-AWEZNQCLSA-N 1 0 353.894 3.213 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000845971132 730913698 /nfs/dbraw/zinc/91/36/98/730913698.db2.gz HITRNZCEBAMIOY-KBPBESRZSA-N 1 0 363.479 3.259 20 10 FGCDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000846107104 730929467 /nfs/dbraw/zinc/92/94/67/730929467.db2.gz HGFQAEFBTYVXDM-CQSZACIVSA-N 1 0 363.255 3.021 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000846144035 730932102 /nfs/dbraw/zinc/93/21/02/730932102.db2.gz HQKQTWMPYISASV-ZIAGYGMSSA-N 1 0 350.459 3.451 20 10 FGCDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846210093 730936847 /nfs/dbraw/zinc/93/68/47/730936847.db2.gz JWDXLPPYWXTKGU-OAHLLOKOSA-N 1 0 352.906 3.380 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)c1O ZINC000848530579 731176290 /nfs/dbraw/zinc/17/62/90/731176290.db2.gz BOKJMENFVABZJF-VXGBXAGGSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1O ZINC000848532340 731176298 /nfs/dbraw/zinc/17/62/98/731176298.db2.gz FWBLPAWPUDSHSP-ZETOZRRWSA-N 1 0 369.303 3.297 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1O ZINC000848532507 731176308 /nfs/dbraw/zinc/17/63/08/731176308.db2.gz ISFAISSOKCFDIL-MDZLAQPJSA-N 1 0 369.303 3.439 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CCO)CCC2)c1O ZINC000848535902 731177536 /nfs/dbraw/zinc/17/75/36/731177536.db2.gz LUQGXPBSRVQOJL-LLVKDONJSA-N 1 0 358.276 3.367 20 10 FGCDRO CCN(CC)C(=O)CCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850031938 731311361 /nfs/dbraw/zinc/31/13/61/731311361.db2.gz YIXUJTYEOHXNMA-UHFFFAOYSA-N 1 0 350.503 3.437 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3occc3Br)C2)cc1 ZINC000850347841 731345709 /nfs/dbraw/zinc/34/57/09/731345709.db2.gz YQFIBTNUCWZKTE-GFCCVEGCSA-N 1 0 351.244 3.419 20 10 FGCDRO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000850355312 731347338 /nfs/dbraw/zinc/34/73/38/731347338.db2.gz DSFJQCAVFWOAHW-IEBWSBKVSA-N 1 0 364.555 3.227 20 10 FGCDRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000850485471 731362089 /nfs/dbraw/zinc/36/20/89/731362089.db2.gz JMIHYYCESDUZLK-CQSZACIVSA-N 1 0 351.512 3.137 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000850502820 731365912 /nfs/dbraw/zinc/36/59/12/731365912.db2.gz RHKVRDFYLPOTLD-FAXLKDOZSA-N 1 0 372.303 3.371 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(Br)cc1O ZINC000850559700 731373297 /nfs/dbraw/zinc/37/32/97/731373297.db2.gz ANXRUAOSTLVVTO-SJCJKPOMSA-N 1 0 372.303 3.373 20 10 FGCDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000854014323 731785187 /nfs/dbraw/zinc/78/51/87/731785187.db2.gz RXOLIEKBAVCJLB-UHFFFAOYSA-N 1 0 360.527 3.166 20 10 FGCDRO COc1ccc([C@H](CO)C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858177017 732189377 /nfs/dbraw/zinc/18/93/77/732189377.db2.gz GEYIXYUCICCZDN-ZDUSSCGKSA-N 1 0 366.255 3.029 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000858498835 732220922 /nfs/dbraw/zinc/22/09/22/732220922.db2.gz VXJNBFYSQPQLDN-MORSLUCNSA-N 1 0 362.495 3.056 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1O ZINC000858548311 732226225 /nfs/dbraw/zinc/22/62/25/732226225.db2.gz ULMGLCKAZCSPDJ-WFBYXXMGSA-N 1 0 356.260 3.381 20 10 FGCDRO Oc1cccc(Br)c1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000862233925 732792319 /nfs/dbraw/zinc/79/23/19/732792319.db2.gz XSYMJKLIFZWNAN-UHFFFAOYSA-N 1 0 368.300 3.324 20 10 FGCDRO Oc1cccc(Br)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000862315687 732807683 /nfs/dbraw/zinc/80/76/83/732807683.db2.gz DSGZCFVZEDLZEU-CYBMUJFWSA-N 1 0 370.287 3.172 20 10 FGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3cccc(OC)c3O)CC2)s1 ZINC000862474707 732839244 /nfs/dbraw/zinc/83/92/44/732839244.db2.gz YSQOOONQFJIFKM-UHFFFAOYSA-N 1 0 362.451 3.024 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1F ZINC000865720685 733259172 /nfs/dbraw/zinc/25/91/72/733259172.db2.gz GNOHVSSDKTUIHY-UHFFFAOYSA-N 1 0 360.502 3.130 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1O ZINC000866530417 733361113 /nfs/dbraw/zinc/36/11/13/733361113.db2.gz ASYSFBZNSOMZKD-OCCSQVGLSA-N 1 0 370.287 3.391 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2F)C[C@@H](C)O1 ZINC000872024478 735577765 /nfs/dbraw/zinc/57/77/65/735577765.db2.gz AYCCACQWTQLZSV-BFYDXBDKSA-N 1 0 350.478 3.487 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C(F)F)CC3)cc2)CC1 ZINC000872272691 735611334 /nfs/dbraw/zinc/61/13/34/735611334.db2.gz QLVXOPWLUVXNFW-GOSISDBHSA-N 1 0 354.441 3.158 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccns1 ZINC000876941744 736165914 /nfs/dbraw/zinc/16/59/14/736165914.db2.gz PQJXGTAOWBOYQO-UHFFFAOYSA-N 1 0 357.401 3.288 20 10 FGCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000876963672 736168283 /nfs/dbraw/zinc/16/82/83/736168283.db2.gz HYSYFZRKXJGOIS-FYSMJZIKSA-N 1 0 354.431 3.336 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Cl)nn3)C2)cc1 ZINC000877071490 736183688 /nfs/dbraw/zinc/18/36/88/736183688.db2.gz PHIVRRCOEHOQOG-CYBMUJFWSA-N 1 0 368.815 3.490 20 10 FGCDRO CO[C@@H]1C[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687618 736705064 /nfs/dbraw/zinc/70/50/64/736705064.db2.gz KRCTUCJNMVVDAG-DLBZAZTESA-N 1 0 359.857 3.050 20 10 FGCDRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1Cl ZINC000879651516 737023768 /nfs/dbraw/zinc/02/37/68/737023768.db2.gz ZDMMVNZUUJWARD-NSHDSACASA-N 1 0 364.829 3.352 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883146303 737529636 /nfs/dbraw/zinc/52/96/36/737529636.db2.gz HVCYPZRUWFUSHG-OAHLLOKOSA-N 1 0 358.555 3.305 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000886669644 739280597 /nfs/dbraw/zinc/28/05/97/739280597.db2.gz BODBWKGVSPJKCO-IACUBPJLSA-N 1 0 358.276 3.044 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CCCOC1 ZINC000886789671 739299892 /nfs/dbraw/zinc/29/98/92/739299892.db2.gz ZNZDYUXRKVEFEY-ZOWXZIJZSA-N 1 0 358.276 3.247 20 10 FGCDRO CN(C)c1ccc(-c2nc(-c3cn(C4CC[NH2+]CC4)nn3)cs2)cc1 ZINC000887379828 739363585 /nfs/dbraw/zinc/36/35/85/739363585.db2.gz IELFVPASBFTFBN-UHFFFAOYSA-N 1 0 354.483 3.059 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)ccc2Cl)[NH+](C)C)cc1 ZINC000891249014 739886484 /nfs/dbraw/zinc/88/64/84/739886484.db2.gz OXYRJQDVADBTBC-GOSISDBHSA-N 1 0 361.873 3.144 20 10 FGCDRO CC(=O)c1csc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891251873 739886730 /nfs/dbraw/zinc/88/67/30/739886730.db2.gz HTNYGGJIDOCTLB-QGZVFWFLSA-N 1 0 359.495 3.049 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2ncc(Br)cc2O)cc1F ZINC000892738543 740038970 /nfs/dbraw/zinc/03/89/70/740038970.db2.gz VQLCODISOXUWOV-UHFFFAOYSA-N 1 0 354.223 3.045 20 10 FGCDRO COc1cc(C)cc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000893919908 742213253 /nfs/dbraw/zinc/21/32/53/742213253.db2.gz MCZSCVQTVAWPCD-AWEZNQCLSA-N 1 0 363.479 3.306 20 10 FGCDRO C[C@H](NC(=O)NCc1cccc(Cl)c1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894107666 742240236 /nfs/dbraw/zinc/24/02/36/742240236.db2.gz QUGFUWJQVQOBOJ-DZGCQCFKSA-N 1 0 365.905 3.498 20 10 FGCDRO COc1ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894696038 742319900 /nfs/dbraw/zinc/31/99/00/742319900.db2.gz VNHJWSLFYDTVQD-OAHLLOKOSA-N 1 0 351.830 3.228 20 10 FGCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000896498305 742558978 /nfs/dbraw/zinc/55/89/78/742558978.db2.gz YVBVEEBKDYTWQN-AWEZNQCLSA-N 1 0 360.479 3.403 20 10 FGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(OC)c3O)C2)n1 ZINC000897043437 742635396 /nfs/dbraw/zinc/63/53/96/742635396.db2.gz LKMJOFQDDYWHSL-GWCFXTLKSA-N 1 0 351.834 3.426 20 10 FGCDRO CSCc1cnc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898449636 742795738 /nfs/dbraw/zinc/79/57/38/742795738.db2.gz INTSHEVZVASRKV-QGZVFWFLSA-N 1 0 364.584 3.465 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(Br)cc1O ZINC000903197824 743821430 /nfs/dbraw/zinc/82/14/30/743821430.db2.gz AHAZHPMTUFLGEH-LLVKDONJSA-N 1 0 350.260 3.467 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000903391394 743843874 /nfs/dbraw/zinc/84/38/74/743843874.db2.gz XOSMMPGPJLPSLB-IUODEOHRSA-N 1 0 370.287 3.452 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c1 ZINC000903425430 743848931 /nfs/dbraw/zinc/84/89/31/743848931.db2.gz DMJUQDHEEYLNQY-CQSZACIVSA-N 1 0 360.479 3.456 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(Cl)ccc1O ZINC000903433825 743850180 /nfs/dbraw/zinc/85/01/80/743850180.db2.gz FRWYHCUDBDOZSX-KOLCDFICSA-N 1 0 369.252 3.124 20 10 FGCDRO C[C@@H](c1cccc(C(F)(F)F)c1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925750001 759530591 /nfs/dbraw/zinc/53/05/91/759530591.db2.gz BZYWPSJDLUQVGQ-VIFPVBQESA-N 1 0 357.401 3.446 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cc(Br)ccc1O ZINC000927105174 759892397 /nfs/dbraw/zinc/89/23/97/759892397.db2.gz QNMCIMKPLGPCHX-DOMZBBRYSA-N 1 0 369.303 3.059 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1ccc(Br)cc1O ZINC000927105577 759893150 /nfs/dbraw/zinc/89/31/50/759893150.db2.gz UCCKSOIXBDQRFX-IUODEOHRSA-N 1 0 369.303 3.059 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000779035814 724383036 /nfs/dbraw/zinc/38/30/36/724383036.db2.gz IZLVXDZZKLNGHT-SQWGHXPGSA-N 1 0 367.287 3.123 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000069713969 494000623 /nfs/dbraw/zinc/00/06/23/494000623.db2.gz DQUMGTASJRCVBN-MRXNPFEDSA-N 1 0 367.493 3.261 20 10 FGCDRO CCOc1cccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1O ZINC000092645234 494694093 /nfs/dbraw/zinc/69/40/93/494694093.db2.gz LFYFYHIUSDMCLE-UHFFFAOYSA-N 1 0 369.509 3.325 20 10 FGCDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1O ZINC000092965444 494797322 /nfs/dbraw/zinc/79/73/22/494797322.db2.gz DZBXLZYAHVLDKG-UHFFFAOYSA-N 1 0 358.413 3.391 20 10 FGCDRO Cc1cc(F)ccc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000101683973 495091369 /nfs/dbraw/zinc/09/13/69/495091369.db2.gz FXPQQVMOUYIHHA-GDNBJRDFSA-N 1 0 350.484 3.430 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124806626 495346903 /nfs/dbraw/zinc/34/69/03/495346903.db2.gz AKVAKVJXCWDEHL-XOBRGWDASA-N 1 0 362.420 3.186 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000130429453 495391435 /nfs/dbraw/zinc/39/14/35/495391435.db2.gz ROBMPKSXIYTVNR-VLIAUNLRSA-N 1 0 362.420 3.186 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H](C)Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000120611690 495417763 /nfs/dbraw/zinc/41/77/63/495417763.db2.gz GDEOBTVOTKIHPO-OAHLLOKOSA-N 1 0 356.514 3.235 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121048767 495511553 /nfs/dbraw/zinc/51/15/53/495511553.db2.gz PVHJNCDFPQKHIL-UHFFFAOYSA-N 1 0 360.498 3.406 20 10 FGCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000179616697 495661190 /nfs/dbraw/zinc/66/11/90/495661190.db2.gz MSWWZDRLQYPRCK-UHFFFAOYSA-N 1 0 356.466 3.172 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151341136 495809098 /nfs/dbraw/zinc/80/90/98/495809098.db2.gz CYFAHGWPLMZXDP-HIFRSBDPSA-N 1 0 358.301 3.299 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1 ZINC000186032251 495828650 /nfs/dbraw/zinc/82/86/50/495828650.db2.gz FXLQZCDKCLOELQ-OAHLLOKOSA-N 1 0 360.479 3.091 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190790 495890910 /nfs/dbraw/zinc/89/09/10/495890910.db2.gz ASSASIBSGQDZBR-WBVHZDCISA-N 1 0 354.450 3.100 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCC(n3ccc(C(F)(F)F)n3)CC1)OCO2 ZINC000180274694 495932468 /nfs/dbraw/zinc/93/24/68/495932468.db2.gz PHVPZHSFYQRGBB-UHFFFAOYSA-N 1 0 369.343 3.173 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCCN3CCCCCC3=O)CC2)cc1 ZINC000155514956 495979789 /nfs/dbraw/zinc/97/97/89/495979789.db2.gz LYUHVXASQAEWQN-UHFFFAOYSA-N 1 0 359.514 3.046 20 10 FGCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183467695 495997167 /nfs/dbraw/zinc/99/71/67/495997167.db2.gz IKHSIRHXQSQBEQ-LPHOPBHVSA-N 1 0 368.477 3.057 20 10 FGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2cc(Br)ccc2O)C1 ZINC000156376177 496228606 /nfs/dbraw/zinc/22/86/06/496228606.db2.gz LHMREKVZXZQWMI-OCCSQVGLSA-N 1 0 355.276 3.206 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)ccc1O ZINC000156735532 496323380 /nfs/dbraw/zinc/32/33/80/496323380.db2.gz SXHQJOSSYKMBTQ-JSGCOSHPSA-N 1 0 350.260 3.476 20 10 FGCDRO O=C(c1cccnc1)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000156874430 496354583 /nfs/dbraw/zinc/35/45/83/496354583.db2.gz XUGVWCAGOADYNV-UHFFFAOYSA-N 1 0 364.493 3.030 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000163395486 496510692 /nfs/dbraw/zinc/51/06/92/496510692.db2.gz GRKCKCZPISUVSX-ZFWWWQNUSA-N 1 0 358.404 3.057 20 10 FGCDRO CC[C@@H](C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[NH+](C)C ZINC000163775401 496556858 /nfs/dbraw/zinc/55/68/58/496556858.db2.gz WHGXEALGHKZICH-INIZCTEOSA-N 1 0 373.419 3.010 20 10 FGCDRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000181965782 496615137 /nfs/dbraw/zinc/61/51/37/496615137.db2.gz UNJILGFOFXUODI-HNNXBMFYSA-N 1 0 371.456 3.472 20 10 FGCDRO COc1ccc(N2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1 ZINC000158417906 496697447 /nfs/dbraw/zinc/69/74/47/496697447.db2.gz GVWQVQSTBOZVPF-UHFFFAOYSA-N 1 0 373.541 3.102 20 10 FGCDRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1O ZINC000185279179 496723218 /nfs/dbraw/zinc/72/32/18/496723218.db2.gz AXUCSXNTEUWWDS-GFCCVEGCSA-N 1 0 365.836 3.267 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268757557 496775726 /nfs/dbraw/zinc/77/57/26/496775726.db2.gz MBEQCVBAJYVAGY-DLBZAZTESA-N 1 0 350.528 3.152 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1C ZINC000273417090 496800511 /nfs/dbraw/zinc/80/05/11/496800511.db2.gz RBDRHTFDXVADIE-HNNXBMFYSA-N 1 0 362.495 3.110 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273427597 496803972 /nfs/dbraw/zinc/80/39/72/496803972.db2.gz URTJWUHGIJCAFS-MRXNPFEDSA-N 1 0 356.466 3.375 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273573451 496844351 /nfs/dbraw/zinc/84/43/51/496844351.db2.gz LDDGCGVQEDWFTD-CQSZACIVSA-N 1 0 359.426 3.092 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000189101774 497008791 /nfs/dbraw/zinc/00/87/91/497008791.db2.gz WJOISHOLTURTCV-KXBFYZLASA-N 1 0 354.450 3.161 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1O ZINC000274742016 497155846 /nfs/dbraw/zinc/15/58/46/497155846.db2.gz AHXKCYLSXQUFBJ-KSSFIOAISA-N 1 0 362.495 3.444 20 10 FGCDRO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237560990 497256247 /nfs/dbraw/zinc/25/62/47/497256247.db2.gz KQXSMSHHRIYFJH-LAUBAEHRSA-N 1 0 351.494 3.323 20 10 FGCDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237671644 497273741 /nfs/dbraw/zinc/27/37/41/497273741.db2.gz ZPKIGVBHGFDKSE-KRWDZBQOSA-N 1 0 351.494 3.360 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCN[C@H](C)c3cscn3)CC2)cc1 ZINC000271152043 497274492 /nfs/dbraw/zinc/27/44/92/497274492.db2.gz QOKDOKRXOWSXAW-MRXNPFEDSA-N 1 0 360.527 3.015 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1F ZINC000271192424 497286753 /nfs/dbraw/zinc/28/67/53/497286753.db2.gz SMRQSTVMRDMIRT-UHFFFAOYSA-N 1 0 371.456 3.448 20 10 FGCDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000275478674 497339068 /nfs/dbraw/zinc/33/90/68/497339068.db2.gz JALLFEZCGPRFOB-KNQAVFIVSA-N 1 0 373.541 3.168 20 10 FGCDRO CCOC(CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OCC ZINC000276520438 497591064 /nfs/dbraw/zinc/59/10/64/497591064.db2.gz MEXQFBGOHJTOBO-OAHLLOKOSA-N 1 0 354.466 3.102 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1O ZINC000280126056 497657213 /nfs/dbraw/zinc/65/72/13/497657213.db2.gz OPHANKUHJCSJDM-KSSFIOAISA-N 1 0 362.495 3.411 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277112458 497745390 /nfs/dbraw/zinc/74/53/90/497745390.db2.gz MRIUYYSYNDMNGD-LLVKDONJSA-N 1 0 369.870 3.309 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cc(Br)ccc1O ZINC000280890542 497938006 /nfs/dbraw/zinc/93/80/06/497938006.db2.gz FBERNFBKVFUGGT-BBRMVZONSA-N 1 0 369.303 3.454 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccc(C)cc3O)CC2)c1 ZINC000296329438 498000531 /nfs/dbraw/zinc/00/05/31/498000531.db2.gz HEYWTADGLVPFJD-HNNXBMFYSA-N 1 0 357.454 3.472 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000364628093 498056774 /nfs/dbraw/zinc/05/67/74/498056774.db2.gz DOCZRAYBXHKVFC-AWEZNQCLSA-N 1 0 368.433 3.477 20 10 FGCDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(C)c(C)cc2O)CC1 ZINC000292696005 498112651 /nfs/dbraw/zinc/11/26/51/498112651.db2.gz BUKYHYFJOOEKGN-UHFFFAOYSA-N 1 0 373.522 3.479 20 10 FGCDRO CC(C)n1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000289691131 498249253 /nfs/dbraw/zinc/24/92/53/498249253.db2.gz KCYBYTSZVVOOCZ-AWEZNQCLSA-N 1 0 365.428 3.219 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000365172423 498333901 /nfs/dbraw/zinc/33/39/01/498333901.db2.gz USKUCVMHOASFLZ-IIBYNOLFSA-N 1 0 369.465 3.290 20 10 FGCDRO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC ZINC000290099277 498428863 /nfs/dbraw/zinc/42/88/63/498428863.db2.gz HWFLDHDBIAADOU-VFNWGFHPSA-N 1 0 359.466 3.362 20 10 FGCDRO COCCSCCC[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365841357 498666247 /nfs/dbraw/zinc/66/62/47/498666247.db2.gz AVCUJHKZJJQLRN-UHFFFAOYSA-N 1 0 352.544 3.366 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000287616978 498814380 /nfs/dbraw/zinc/81/43/80/498814380.db2.gz JQAHSDKLJOSNAV-FUHWJXTLSA-N 1 0 372.431 3.095 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OC ZINC000291155876 498820860 /nfs/dbraw/zinc/82/08/60/498820860.db2.gz BUQRLRUNCAQSLJ-JOCHJYFZSA-N 1 0 371.477 3.227 20 10 FGCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287661715 498830450 /nfs/dbraw/zinc/83/04/50/498830450.db2.gz RRDWZVQZSQQOED-YLJYHZDGSA-N 1 0 356.514 3.055 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1O ZINC000366251631 498842078 /nfs/dbraw/zinc/84/20/78/498842078.db2.gz WRUSGTJKCGZYFG-LIRRHRJNSA-N 1 0 374.868 3.363 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1F ZINC000366334201 498877774 /nfs/dbraw/zinc/87/77/74/498877774.db2.gz GMITVGYRRJBMGV-UHFFFAOYSA-N 1 0 368.460 3.152 20 10 FGCDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332264 498877968 /nfs/dbraw/zinc/87/79/68/498877968.db2.gz YWWBJEAIWLFANX-JXFKEZNVSA-N 1 0 357.885 3.274 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](n4cc(C)cn4)C3)cc2)CC1 ZINC000295275936 498963329 /nfs/dbraw/zinc/96/33/29/498963329.db2.gz ZVYNSBRRQRZQCY-HXUWFJFHSA-N 1 0 354.498 3.254 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1O ZINC000363851449 499025025 /nfs/dbraw/zinc/02/50/25/499025025.db2.gz IJMSEFZDGLLBOD-SWLSCSKDSA-N 1 0 360.433 3.107 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000366694953 499036990 /nfs/dbraw/zinc/03/69/90/499036990.db2.gz LITWFLTZQIFXRF-VGSWGCGISA-N 1 0 351.494 3.361 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363913188 499050249 /nfs/dbraw/zinc/05/02/49/499050249.db2.gz GYYJNLQLPUBKJL-CTNGQTDRSA-N 1 0 370.541 3.445 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1O ZINC000364028994 499091263 /nfs/dbraw/zinc/09/12/63/499091263.db2.gz ADQXBRLWLSEROC-QGZVFWFLSA-N 1 0 358.482 3.014 20 10 FGCDRO FC(F)(F)Oc1ccc(N2CC[C@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000364127198 499120148 /nfs/dbraw/zinc/12/01/48/499120148.db2.gz CKWSJXTUSPGJNJ-OAHLLOKOSA-N 1 0 358.404 3.428 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1O ZINC000369902255 499148739 /nfs/dbraw/zinc/14/87/39/499148739.db2.gz LPCIYLRVTWZEOC-DETPVDSQSA-N 1 0 356.260 3.143 20 10 FGCDRO Cc1cccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)cn3C)CC2)c1O ZINC000367725038 499228442 /nfs/dbraw/zinc/22/84/42/499228442.db2.gz RABWIJHUCZVYKL-UHFFFAOYSA-N 1 0 361.873 3.041 20 10 FGCDRO CCc1nc(CN2CCC[C@H]([N@H+](C)[C@@H](C)c3cc(OC)ccc3O)C2)no1 ZINC000368030322 499257154 /nfs/dbraw/zinc/25/71/54/499257154.db2.gz MYBOKLKAWSBSDR-GJZGRUSLSA-N 1 0 374.485 3.004 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)c(O)c1 ZINC000371412580 499323332 /nfs/dbraw/zinc/32/33/32/499323332.db2.gz WSLIIYGGNWHMTB-UHFFFAOYSA-N 1 0 358.438 3.122 20 10 FGCDRO CCc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)no1 ZINC000368708849 499324325 /nfs/dbraw/zinc/32/43/25/499324325.db2.gz XXPQEUSEEJPLPZ-LLVKDONJSA-N 1 0 351.834 3.379 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)ccc21 ZINC000371534242 499338904 /nfs/dbraw/zinc/33/89/04/499338904.db2.gz NDDXUCTXOBSANR-DYESRHJHSA-N 1 0 369.509 3.071 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)/C=C/c3ccn(C)c3)CC2)cc1 ZINC000368892589 499343751 /nfs/dbraw/zinc/34/37/51/499343751.db2.gz BZVSODJBGZPGAM-RUDMXATFSA-N 1 0 353.466 3.174 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C)n2)C1)c1ccc(N(C)C)cc1 ZINC000369518079 499411864 /nfs/dbraw/zinc/41/18/64/499411864.db2.gz ISTLIHKUWVQGQZ-IEBWSBKVSA-N 1 0 357.502 3.149 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1O ZINC000369591953 499423713 /nfs/dbraw/zinc/42/37/13/499423713.db2.gz PAOIXIJPZJCNJC-DYVFJYSZSA-N 1 0 361.511 3.166 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000369663004 499433618 /nfs/dbraw/zinc/43/36/18/499433618.db2.gz RXPOCMPWUWCGML-UHFFFAOYSA-N 1 0 366.509 3.018 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000373600179 499479146 /nfs/dbraw/zinc/47/91/46/499479146.db2.gz BJNCEQYARPVAEP-ZDUSSCGKSA-N 1 0 360.479 3.418 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000378332300 499502372 /nfs/dbraw/zinc/50/23/72/499502372.db2.gz HUKUBRDDUUIBMP-MRXNPFEDSA-N 1 0 369.465 3.345 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(O)c1 ZINC000375300284 499504687 /nfs/dbraw/zinc/50/46/87/499504687.db2.gz YMQYLRKAKBRKAC-NRFANRHFSA-N 1 0 352.434 3.277 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975513 499573254 /nfs/dbraw/zinc/57/32/54/499573254.db2.gz MWNBQGKFSJHFJT-QGZVFWFLSA-N 1 0 372.513 3.447 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)ccc21 ZINC000425061394 500008815 /nfs/dbraw/zinc/00/88/15/500008815.db2.gz ZBEGMLPIZUQWDU-GHTZIAJQSA-N 1 0 369.509 3.071 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCO[C@H](C)C2)C1 ZINC000435734632 501020454 /nfs/dbraw/zinc/02/04/54/501020454.db2.gz GOQNAAHNYYMLNQ-QGZVFWFLSA-N 1 0 369.509 3.045 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](C)[C@@H]2C)C1 ZINC000435911264 501045161 /nfs/dbraw/zinc/04/51/61/501045161.db2.gz KGCODUPZVHCSMQ-DLBZAZTESA-N 1 0 369.509 3.044 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccccn2)C1 ZINC000565152326 504808898 /nfs/dbraw/zinc/80/88/98/504808898.db2.gz KTMINYQUGXDBRT-UHFFFAOYSA-N 1 0 362.477 3.119 20 10 FGCDRO Cc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000564959793 505563074 /nfs/dbraw/zinc/56/30/74/505563074.db2.gz YQEFSRQOSMXQGG-CQSZACIVSA-N 1 0 370.478 3.307 20 10 FGCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC4(CCCC4)c4ccccc43)c21 ZINC000592536303 507699815 /nfs/dbraw/zinc/69/98/15/507699815.db2.gz KDTTYIOWPUTKHD-HNNXBMFYSA-N 1 0 350.466 3.191 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137170 598274925 /nfs/dbraw/zinc/27/49/25/598274925.db2.gz VZRVNUWUWNTMAK-SNVBAGLBSA-N 1 0 374.242 3.186 20 10 FGCDRO CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458190 600717949 /nfs/dbraw/zinc/71/79/49/600717949.db2.gz KGYZKOLACRHFJV-OAHLLOKOSA-N 1 0 356.466 3.407 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824619678 609138380 /nfs/dbraw/zinc/13/83/80/609138380.db2.gz YSJBRZDZHBFIGH-NSHDSACASA-N 1 0 358.396 3.062 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](CCCO)CC(C)(C)C)c1O ZINC000093145974 700447559 /nfs/dbraw/zinc/44/75/59/700447559.db2.gz PBJNPGFBBBRJQW-UHFFFAOYSA-N 1 0 360.292 3.394 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000093643859 700452702 /nfs/dbraw/zinc/45/27/02/700452702.db2.gz HCWBTVIFXKWHAS-RISCZKNCSA-N 1 0 357.292 3.078 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000093647113 700453048 /nfs/dbraw/zinc/45/30/48/700453048.db2.gz XABQPPYGDUZODB-MOPGFXCFSA-N 1 0 352.544 3.320 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000093757526 700454020 /nfs/dbraw/zinc/45/40/20/700454020.db2.gz ZAJYVHLILVBXJO-HNNXBMFYSA-N 1 0 350.459 3.280 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1 ZINC000093771179 700454192 /nfs/dbraw/zinc/45/41/92/700454192.db2.gz PKGLTKOYGFQHMW-AWEZNQCLSA-N 1 0 360.420 3.497 20 10 FGCDRO Cc1ccc([C@@H](C[NH2+]Cc2c(O)cccc2Cl)N2CCOCC2)o1 ZINC000113316479 700570686 /nfs/dbraw/zinc/57/06/86/700570686.db2.gz PUZYGPXVBUCHSZ-MRXNPFEDSA-N 1 0 350.846 3.110 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000113313020 700570775 /nfs/dbraw/zinc/57/07/75/700570775.db2.gz IAQSBAOPKYIBEL-HNNXBMFYSA-N 1 0 352.887 3.270 20 10 FGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000113359229 700571277 /nfs/dbraw/zinc/57/12/77/700571277.db2.gz UTIOLQLXMTZLOF-INIZCTEOSA-N 1 0 361.873 3.209 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000114770709 700581777 /nfs/dbraw/zinc/58/17/77/700581777.db2.gz YDFYTFXWSRDTNY-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)CCc2ccccn2)c1O ZINC000120791739 700660154 /nfs/dbraw/zinc/66/01/54/700660154.db2.gz BXLHCLXZDYVGCV-UHFFFAOYSA-N 1 0 351.244 3.233 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000125628751 700737892 /nfs/dbraw/zinc/73/78/92/700737892.db2.gz VBKIKRQPPKSCKE-UHFFFAOYSA-N 1 0 353.495 3.080 20 10 FGCDRO CCOc1cccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1O ZINC000152234450 704955259 /nfs/dbraw/zinc/95/52/59/704955259.db2.gz UGEZXHLCVHWDQC-UHFFFAOYSA-N 1 0 356.344 3.373 20 10 FGCDRO C[C@](CO)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000152777590 704973641 /nfs/dbraw/zinc/97/36/41/704973641.db2.gz IQRLVEVLCVXONN-HXUWFJFHSA-N 1 0 350.478 3.083 20 10 FGCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000153755435 705011291 /nfs/dbraw/zinc/01/12/91/705011291.db2.gz RIMPKWCQAHCAKH-AWEZNQCLSA-N 1 0 356.561 3.189 20 10 FGCDRO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(N(C)C)cc1 ZINC000154442344 705035245 /nfs/dbraw/zinc/03/52/45/705035245.db2.gz LGZRQOCSLCYKGB-PMACEKPBSA-N 1 0 363.571 3.001 20 10 FGCDRO O=C(NCCCSc1nccs1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160059672 705243120 /nfs/dbraw/zinc/24/31/20/705243120.db2.gz ZKCQODPTCQGBBA-UHFFFAOYSA-N 1 0 361.536 3.063 20 10 FGCDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000177919821 705646064 /nfs/dbraw/zinc/64/60/64/705646064.db2.gz BKFMYNJOEAIUGB-CYBMUJFWSA-N 1 0 364.383 3.282 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000182346451 705836162 /nfs/dbraw/zinc/83/61/62/705836162.db2.gz WWLGTTSPFRVNNQ-KBPBESRZSA-N 1 0 350.459 3.451 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000182918642 705868790 /nfs/dbraw/zinc/86/87/90/705868790.db2.gz MHDVWTDPDLFZOD-AEFFLSMTSA-N 1 0 356.507 3.117 20 10 FGCDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000185201494 712688091 /nfs/dbraw/zinc/68/80/91/712688091.db2.gz XUZXDHXKENLAOM-MOPGFXCFSA-N 1 0 350.478 3.344 20 10 FGCDRO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000237345283 713590702 /nfs/dbraw/zinc/59/07/02/713590702.db2.gz IUYAMERQJPTYPB-UHFFFAOYSA-N 1 0 364.287 3.148 20 10 FGCDRO Cc1noc(C2(C)CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000374725756 713941169 /nfs/dbraw/zinc/94/11/69/713941169.db2.gz JQFYOWQMDFHBME-UHFFFAOYSA-N 1 0 366.259 3.400 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000380975864 713977434 /nfs/dbraw/zinc/97/74/34/713977434.db2.gz BDORCTHDTZSGCV-HOCLYGCPSA-N 1 0 350.459 3.069 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC000802655040 724397956 /nfs/dbraw/zinc/39/79/56/724397956.db2.gz PDDUCXOGBRADFM-LJQANCHMSA-N 1 0 350.459 3.138 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000749924366 722747979 /nfs/dbraw/zinc/74/79/79/722747979.db2.gz PYKPXYXJHPMMDW-QGZVFWFLSA-N 1 0 360.841 3.339 20 10 FGCDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(Br)cc1O ZINC000756638851 722968026 /nfs/dbraw/zinc/96/80/26/722968026.db2.gz SQUBRGRMKVTJNZ-ABAIWWIYSA-N 1 0 359.333 3.243 20 10 FGCDRO COCc1cnc(CN(C)c2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000780779922 724500251 /nfs/dbraw/zinc/50/02/51/724500251.db2.gz FEIHDOCOEBYDEW-UHFFFAOYSA-N 1 0 361.511 3.401 20 10 FGCDRO CC(C)[C@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1CCCCC1 ZINC000804737050 724547323 /nfs/dbraw/zinc/54/73/23/724547323.db2.gz BOFYZQVSUMSAPP-MRXNPFEDSA-N 1 0 369.303 3.281 20 10 FGCDRO CC[C@@H]1[C@@H]([NH2+]Cc2cc(OC)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000704628671 722411385 /nfs/dbraw/zinc/41/13/85/722411385.db2.gz HJOZTBORQGKFGT-JKSUJKDBSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000715134678 722415754 /nfs/dbraw/zinc/41/57/54/722415754.db2.gz CHMKBOVHDXRVAX-MCIONIFRSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(OC)ccc2Br)c(O)c1 ZINC000725848917 722424829 /nfs/dbraw/zinc/42/48/29/722424829.db2.gz CSWSWAUZBWLUBG-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO O=c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)nc2sccn21 ZINC000731845948 722478536 /nfs/dbraw/zinc/47/85/36/722478536.db2.gz OTLBUYMBTYILCI-UHFFFAOYSA-N 1 0 355.463 3.406 20 10 FGCDRO COc1cccc(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c1O ZINC000734844953 722510535 /nfs/dbraw/zinc/51/05/35/722510535.db2.gz GQWIARYWKVPXCT-QGZVFWFLSA-N 1 0 355.356 3.417 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1O ZINC000734850674 722510655 /nfs/dbraw/zinc/51/06/55/722510655.db2.gz LZLCMDRSYJFYDD-AWEZNQCLSA-N 1 0 370.218 3.126 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O ZINC000742377595 722556557 /nfs/dbraw/zinc/55/65/57/722556557.db2.gz WFMCROVSKTUYOT-DAXOMENPSA-N 1 0 370.287 3.457 20 10 FGCDRO CCn1ccnc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742385200 722556703 /nfs/dbraw/zinc/55/67/03/722556703.db2.gz RWWLNHXMDRNYJO-AWEZNQCLSA-N 1 0 350.413 3.263 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000742392595 722556801 /nfs/dbraw/zinc/55/68/01/722556801.db2.gz RMSDHMJONXMSBQ-RLFYNMQTSA-N 1 0 356.853 3.292 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCCC(=O)OC(C)(C)C)c1O ZINC000744449659 722577168 /nfs/dbraw/zinc/57/71/68/722577168.db2.gz AUYXHQUYEWBWGZ-UHFFFAOYSA-N 1 0 374.275 3.375 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1O ZINC000756501305 722965703 /nfs/dbraw/zinc/96/57/03/722965703.db2.gz DATSPHPODBHCMW-ONGXEEELSA-N 1 0 367.209 3.442 20 10 FGCDRO CC[NH+](CC)CC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759602806 723011521 /nfs/dbraw/zinc/01/15/21/723011521.db2.gz LFBWICJFCAZRLL-UHFFFAOYSA-N 1 0 370.588 3.389 20 10 FGCDRO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Br)c(F)cc1[O-] ZINC000760866977 723099757 /nfs/dbraw/zinc/09/97/57/723099757.db2.gz BKNNCMYILHPTKL-VIFPVBQESA-N 1 0 369.238 3.072 20 10 FGCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000790998833 723203622 /nfs/dbraw/zinc/20/36/22/723203622.db2.gz WNYLMUHXGOAKCO-FQEVSTJZSA-N 1 0 350.478 3.083 20 10 FGCDRO COc1cccc(Cl)c1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790995583 723203745 /nfs/dbraw/zinc/20/37/45/723203745.db2.gz KDHMQBVPGBMEMH-UHFFFAOYSA-N 1 0 359.901 3.390 20 10 FGCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(Br)cc1 ZINC000763425615 723342387 /nfs/dbraw/zinc/34/23/87/723342387.db2.gz SOEOIZVLIQGYAC-ZDUSSCGKSA-N 1 0 368.246 3.235 20 10 FGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H]1C ZINC000792921998 723382666 /nfs/dbraw/zinc/38/26/66/723382666.db2.gz ULYZAWBNOVUTHR-AYBZRNKSSA-N 1 0 362.539 3.307 20 10 FGCDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000764357243 723408218 /nfs/dbraw/zinc/40/82/18/723408218.db2.gz XUITZJZYXRZRKS-GOSISDBHSA-N 1 0 361.555 3.121 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000793565764 723449455 /nfs/dbraw/zinc/44/94/55/723449455.db2.gz DBTJOGSFWDLYFK-WHOFXGATSA-N 1 0 374.319 3.272 20 10 FGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)ccn1 ZINC000764840397 723451635 /nfs/dbraw/zinc/45/16/35/723451635.db2.gz NASFXTKMRDSNNV-AWEZNQCLSA-N 1 0 361.873 3.431 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000793610814 723454906 /nfs/dbraw/zinc/45/49/06/723454906.db2.gz YHOPZXWNEQAJOC-XJKSGUPXSA-N 1 0 362.436 3.019 20 10 FGCDRO CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C)cc1O ZINC000794806379 723547062 /nfs/dbraw/zinc/54/70/62/723547062.db2.gz HYJMHNBEWJRXTK-SFHVURJKSA-N 1 0 363.479 3.224 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000794826196 723547871 /nfs/dbraw/zinc/54/78/71/723547871.db2.gz ASDMWTHCUONVHX-BZNIZROVSA-N 1 0 363.255 3.340 20 10 FGCDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165401 723559145 /nfs/dbraw/zinc/55/91/45/723559145.db2.gz HQAPOVXFWNLTIJ-OWCLPIDISA-N 1 0 351.922 3.310 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1 ZINC000796147483 723623636 /nfs/dbraw/zinc/62/36/36/723623636.db2.gz WTDZMWAXAAZMEO-HNNXBMFYSA-N 1 0 357.420 3.033 20 10 FGCDRO CC(C)CNC(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000768232473 723651337 /nfs/dbraw/zinc/65/13/37/723651337.db2.gz ANWKDFFPZHYZQX-UHFFFAOYSA-N 1 0 369.303 3.139 20 10 FGCDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439462 723657546 /nfs/dbraw/zinc/65/75/46/723657546.db2.gz MDRJRSFSCAEEPR-INIZCTEOSA-N 1 0 353.340 3.469 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000768650958 723664317 /nfs/dbraw/zinc/66/43/17/723664317.db2.gz HUJTUFXFIKCLOF-AZUAARDMSA-N 1 0 357.885 3.468 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CCSC2)C1 ZINC000774079328 723857054 /nfs/dbraw/zinc/85/70/54/723857054.db2.gz XCVCWJYWLMRXDR-HNNXBMFYSA-N 1 0 358.507 3.457 20 10 FGCDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1cc(Cl)ccc1O ZINC000775496297 723996044 /nfs/dbraw/zinc/99/60/44/723996044.db2.gz FXQGBKWVTCIMST-QGZVFWFLSA-N 1 0 362.857 3.411 20 10 FGCDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(Br)cc(C)c1O ZINC000775659107 724017332 /nfs/dbraw/zinc/01/73/32/724017332.db2.gz XECMYAKZTOPSDK-UHFFFAOYSA-N 1 0 357.292 3.201 20 10 FGCDRO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000775834669 724069387 /nfs/dbraw/zinc/06/93/87/724069387.db2.gz CATVNZZTCRJBBY-ZDUSSCGKSA-N 1 0 358.511 3.377 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775968249 724090461 /nfs/dbraw/zinc/09/04/61/724090461.db2.gz IDXUGRCTGNZOJP-UONOGXRCSA-N 1 0 350.459 3.231 20 10 FGCDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000776167212 724115293 /nfs/dbraw/zinc/11/52/93/724115293.db2.gz KOGFKGVVKBGFTC-TWKYDXJASA-N 1 0 350.478 3.372 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H](O)C(F)(F)F ZINC000776252932 724123934 /nfs/dbraw/zinc/12/39/34/724123934.db2.gz GOLNVAAGZSKXHG-JQWIXIFHSA-N 1 0 356.182 3.255 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000778203394 724310609 /nfs/dbraw/zinc/31/06/09/724310609.db2.gz MIVPMSARQKLEMS-UKRRQHHQSA-N 1 0 350.459 3.278 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1O ZINC000801733681 724329183 /nfs/dbraw/zinc/32/91/83/724329183.db2.gz VWSDPHZQNKKYBL-OAHLLOKOSA-N 1 0 366.255 3.377 20 10 FGCDRO C[NH+](C)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000802379826 724380134 /nfs/dbraw/zinc/38/01/34/724380134.db2.gz VETDIPLDNYHMKZ-AGHZKPIHSA-N 1 0 360.841 3.184 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000784675882 724871684 /nfs/dbraw/zinc/87/16/84/724871684.db2.gz OKJNQBZLAFFIEK-UHFFFAOYSA-N 1 0 365.836 3.301 20 10 FGCDRO Fc1cc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)ccc1N1CCOCC1 ZINC000806131604 725116995 /nfs/dbraw/zinc/11/69/95/725116995.db2.gz MYMHPDCITGMTKB-INIZCTEOSA-N 1 0 361.848 3.488 20 10 FGCDRO CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1[O-] ZINC000806149890 725118128 /nfs/dbraw/zinc/11/81/28/725118128.db2.gz YOMHESPXCQLLET-KSZLIROESA-N 1 0 352.906 3.464 20 10 FGCDRO CC(C)[NH+](CCNC(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000806289080 725122969 /nfs/dbraw/zinc/12/29/69/725122969.db2.gz DYWQOEYBQDUJQS-UHFFFAOYSA-N 1 0 372.307 3.073 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000808200317 725187976 /nfs/dbraw/zinc/18/79/76/725187976.db2.gz LMXDMXZPGJCZKR-ZFWWWQNUSA-N 1 0 350.459 3.197 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000808452319 725201730 /nfs/dbraw/zinc/20/17/30/725201730.db2.gz FQCQOLJUDBZUBK-CQSZACIVSA-N 1 0 352.203 3.387 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c1O ZINC000808675564 725212841 /nfs/dbraw/zinc/21/28/41/725212841.db2.gz LLKKZGCMFMWUTP-CQSZACIVSA-N 1 0 361.873 3.436 20 10 FGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000809713700 725261645 /nfs/dbraw/zinc/26/16/45/725261645.db2.gz YOFGNIQLMLRMPT-UHFFFAOYSA-N 1 0 354.200 3.214 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000809724330 725262885 /nfs/dbraw/zinc/26/28/85/725262885.db2.gz IBGLVYCREIHZTE-WFASDCNBSA-N 1 0 369.303 3.222 20 10 FGCDRO COCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000810178075 725294863 /nfs/dbraw/zinc/29/48/63/725294863.db2.gz MVFUMPYBNWJYHC-UHFFFAOYSA-N 1 0 350.478 3.349 20 10 FGCDRO Cc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000814177613 726945150 /nfs/dbraw/zinc/94/51/50/726945150.db2.gz ILIQFBBYTIHRIL-HNNXBMFYSA-N 1 0 354.219 3.425 20 10 FGCDRO Oc1cc(F)c(Cl)cc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000816616717 727181012 /nfs/dbraw/zinc/18/10/12/727181012.db2.gz DEQPWYKYETZPFH-HNNXBMFYSA-N 1 0 350.821 3.363 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000816642759 727184429 /nfs/dbraw/zinc/18/44/29/727184429.db2.gz KCKMNEOCMBZFFQ-KRWDZBQOSA-N 1 0 369.303 3.081 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)ccc1O ZINC000817586782 727268378 /nfs/dbraw/zinc/26/83/78/727268378.db2.gz SGLNHAGPGSTNIP-IJLUTSLNSA-N 1 0 355.276 3.097 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000817960173 727289468 /nfs/dbraw/zinc/28/94/68/727289468.db2.gz XXDSEGCJEYDMCP-XHDPSFHLSA-N 1 0 357.292 3.123 20 10 FGCDRO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817966753 727289716 /nfs/dbraw/zinc/28/97/16/727289716.db2.gz VCOHOLYLPDQPMB-HNAYVOBHSA-N 1 0 351.922 3.217 20 10 FGCDRO O[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)CC(F)(F)F ZINC000819121561 727349918 /nfs/dbraw/zinc/34/99/18/727349918.db2.gz WYUMLOOVRCITCK-DGCLKSJQSA-N 1 0 368.346 3.160 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)COCc1cccs1 ZINC000819376745 727372052 /nfs/dbraw/zinc/37/20/52/727372052.db2.gz INWHCYHSAHRKRH-QFBILLFUSA-N 1 0 362.539 3.221 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1 ZINC000824172136 729322722 /nfs/dbraw/zinc/32/27/22/729322722.db2.gz NBWHAEMEWBDKSR-UHFFFAOYSA-N 1 0 366.552 3.297 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCc2ncccc2C)c1O ZINC000824795013 729359151 /nfs/dbraw/zinc/35/91/51/729359151.db2.gz KLEMOVIUSIYDAD-UHFFFAOYSA-N 1 0 351.244 3.199 20 10 FGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825651830 729390406 /nfs/dbraw/zinc/39/04/06/729390406.db2.gz MBESPJUWFCLEHJ-MRXNPFEDSA-N 1 0 350.256 3.156 20 10 FGCDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000826893782 729418172 /nfs/dbraw/zinc/41/81/72/729418172.db2.gz BFUCSDSSWIHKPU-CABCVRRESA-N 1 0 358.404 3.234 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1O ZINC000831116113 729618970 /nfs/dbraw/zinc/61/89/70/729618970.db2.gz VYIRYJTUQPSDBZ-UHFFFAOYSA-N 1 0 352.862 3.129 20 10 FGCDRO CSCc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1F ZINC000832267059 729700964 /nfs/dbraw/zinc/70/09/64/729700964.db2.gz MFOJNDUYONNCOP-GOSISDBHSA-N 1 0 361.486 3.185 20 10 FGCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000832267225 729701089 /nfs/dbraw/zinc/70/10/89/729701089.db2.gz OMVRPLUDURXTQP-FZMZJTMJSA-N 1 0 351.903 3.387 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2ccc(Cl)s2)cc1 ZINC000832271972 729701317 /nfs/dbraw/zinc/70/13/17/729701317.db2.gz APUILLPXRSPBEV-OAHLLOKOSA-N 1 0 351.903 3.216 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2scnc2C2CCCC2)cc1 ZINC000832284013 729702016 /nfs/dbraw/zinc/70/20/16/729702016.db2.gz GBFDRZDPSWYKEO-INIZCTEOSA-N 1 0 358.511 3.297 20 10 FGCDRO O=S(=O)(CCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000834814869 729836176 /nfs/dbraw/zinc/83/61/76/729836176.db2.gz PXXLTNCKNOUVKY-MRXNPFEDSA-N 1 0 365.882 3.487 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c2c1c(F)ccc2O ZINC000834828368 729837563 /nfs/dbraw/zinc/83/75/63/729837563.db2.gz SILHSHKJPXYLRV-TYNCELHUSA-N 1 0 361.438 3.240 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000835053046 729853473 /nfs/dbraw/zinc/85/34/73/729853473.db2.gz KIVOJWVMYHUJEC-HWKANZROSA-N 1 0 363.303 3.405 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2CN2CCOCC2)c(Cl)c1 ZINC000840876058 730186688 /nfs/dbraw/zinc/18/66/88/730186688.db2.gz JJKRZEFRAOIMOB-UHFFFAOYSA-N 1 0 360.885 3.476 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)c(F)cc1[O-] ZINC000840887551 730188460 /nfs/dbraw/zinc/18/84/60/730188460.db2.gz ZUGMUPDDRWNDJT-QUUYKZCZSA-N 1 0 368.193 3.493 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000840895680 730188932 /nfs/dbraw/zinc/18/89/32/730188932.db2.gz RPJCHGDROWNUMV-JYJNAYRXSA-N 1 0 352.906 3.378 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000840895678 730188996 /nfs/dbraw/zinc/18/89/96/730188996.db2.gz RPJCHGDROWNUMV-ARFHVFGLSA-N 1 0 352.906 3.378 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1O ZINC000840975214 730199798 /nfs/dbraw/zinc/19/97/98/730199798.db2.gz UPZSNHFPCSXPFB-HNNXBMFYSA-N 1 0 352.862 3.031 20 10 FGCDRO [NH3+]C[C@@H](NCc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841029582 730204891 /nfs/dbraw/zinc/20/48/91/730204891.db2.gz WMNSYZQBNJJPSK-MRXNPFEDSA-N 1 0 352.320 3.266 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccccc2OC(F)(F)F)cc1 ZINC000841042945 730205730 /nfs/dbraw/zinc/20/57/30/730205730.db2.gz NABAHNARHLSIJD-INIZCTEOSA-N 1 0 353.388 3.441 20 10 FGCDRO CCc1nocc1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000841494410 730248878 /nfs/dbraw/zinc/24/88/78/730248878.db2.gz AYQYHEQYIMIZBX-NTUHNPAUSA-N 1 0 353.513 3.026 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752690 730270819 /nfs/dbraw/zinc/27/08/19/730270819.db2.gz VBGRXQCJUVUDNH-VHSSKADRSA-N 1 0 352.906 3.464 20 10 FGCDRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC000841897195 730284215 /nfs/dbraw/zinc/28/42/15/730284215.db2.gz RLIVXJWXKNVMDC-HOCLYGCPSA-N 1 0 364.921 3.080 20 10 FGCDRO CC(=O)NCC[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843427456 730619710 /nfs/dbraw/zinc/61/97/10/730619710.db2.gz BQTKIIWBDXDGGY-UHFFFAOYSA-N 1 0 368.319 3.007 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000844858671 730781295 /nfs/dbraw/zinc/78/12/95/730781295.db2.gz MHKUYSJTEIIDFM-KRWDZBQOSA-N 1 0 359.857 3.119 20 10 FGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000845926470 730909916 /nfs/dbraw/zinc/90/99/16/730909916.db2.gz QWPVQBSGJPPYDU-MRXNPFEDSA-N 1 0 352.494 3.328 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(Br)c(C)nn2C)c1 ZINC000845970815 730913449 /nfs/dbraw/zinc/91/34/49/730913449.db2.gz CHCOOTDWRBSFIM-VIFPVBQESA-N 1 0 354.248 3.056 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000846167269 730933215 /nfs/dbraw/zinc/93/32/15/730933215.db2.gz VVRDRZLCFTXABW-TZMCWYRMSA-N 1 0 351.393 3.181 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CCCCn2cc(Br)cn2)c1O ZINC000846167310 730933251 /nfs/dbraw/zinc/93/32/51/730933251.db2.gz IILNKGDXUPAJML-GFCCVEGCSA-N 1 0 368.275 3.491 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccco2)c1O ZINC000848516675 731174319 /nfs/dbraw/zinc/17/43/19/731174319.db2.gz ATIXVGQHZPYLNT-CABZTGNLSA-N 1 0 356.216 3.141 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000848525990 731175235 /nfs/dbraw/zinc/17/52/35/731175235.db2.gz SSQYXPYXPAFFHW-VHSXEESVSA-N 1 0 373.291 3.117 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000848531505 731176366 /nfs/dbraw/zinc/17/63/66/731176366.db2.gz PHQDZAQJGWRZKR-VXGBXAGGSA-N 1 0 357.292 3.156 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c1O ZINC000848533141 731176814 /nfs/dbraw/zinc/17/68/14/731176814.db2.gz OGZSOHTYTBOBKQ-WZRBSPASSA-N 1 0 358.276 3.365 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000848568935 731182995 /nfs/dbraw/zinc/18/29/95/731182995.db2.gz AWEAPWQCLDRKNC-OCCSQVGLSA-N 1 0 369.259 3.179 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(Cl)nc4ccccn43)C2)cc1 ZINC000850345794 731344825 /nfs/dbraw/zinc/34/48/25/731344825.db2.gz KQCYBYHRYDXTBJ-AWEZNQCLSA-N 1 0 356.857 3.365 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2SCCS2)c1O ZINC000850401542 731352534 /nfs/dbraw/zinc/35/25/34/731352534.db2.gz JYNFVCAOROWXBT-UHFFFAOYSA-N 1 0 350.303 3.059 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)CC1 ZINC000850406022 731353315 /nfs/dbraw/zinc/35/33/15/731353315.db2.gz OOLSMIREIKQHDW-UHFFFAOYSA-N 1 0 365.271 3.293 20 10 FGCDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000850502746 731365667 /nfs/dbraw/zinc/36/56/67/731365667.db2.gz YPEZRDPSNRILJH-KBPBESRZSA-N 1 0 361.452 3.334 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850544074 731371655 /nfs/dbraw/zinc/37/16/55/731371655.db2.gz BZLRZUVZXZZPME-GOEBONIOSA-N 1 0 352.906 3.236 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)cc1O ZINC000850559084 731373077 /nfs/dbraw/zinc/37/30/77/731373077.db2.gz XCYDHSYZZBKVIN-NEPJUHHUSA-N 1 0 369.303 3.452 20 10 FGCDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000850558809 731373186 /nfs/dbraw/zinc/37/31/86/731373186.db2.gz XGHQNTUDJRKRKB-INIZCTEOSA-N 1 0 350.528 3.295 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000851657747 731482456 /nfs/dbraw/zinc/48/24/56/731482456.db2.gz LPSCKQTYRPKCQZ-OAHLLOKOSA-N 1 0 368.572 3.047 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](OC)[C@H]1CCOC1 ZINC000851792862 731498655 /nfs/dbraw/zinc/49/86/55/731498655.db2.gz QKHGQLIJOJDODD-BLLLJJGKSA-N 1 0 358.276 3.028 20 10 FGCDRO CCN(CC)C(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862235006 732792066 /nfs/dbraw/zinc/79/20/66/732792066.db2.gz KAVRREXEZWSAOS-UHFFFAOYSA-N 1 0 369.303 3.235 20 10 FGCDRO Cn1cc([C@@H]2CSCCN2Cc2c(O)cccc2Br)cn1 ZINC000862342771 732812165 /nfs/dbraw/zinc/81/21/65/732812165.db2.gz MUWLTDBJMRGJTJ-AWEZNQCLSA-N 1 0 368.300 3.178 20 10 FGCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000862489082 732841283 /nfs/dbraw/zinc/84/12/83/732841283.db2.gz YYVPBRZVZJPIKB-CQSZACIVSA-N 1 0 354.244 3.205 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2Cl)C1 ZINC000863554850 732976419 /nfs/dbraw/zinc/97/64/19/732976419.db2.gz JMGXQAMNEXCEKU-AEFFLSMTSA-N 1 0 365.949 3.123 20 10 FGCDRO COc1cccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1O ZINC000865804126 733272355 /nfs/dbraw/zinc/27/23/55/733272355.db2.gz PSOBSJCEMRIIFI-UHFFFAOYSA-N 1 0 355.360 3.242 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000866474254 733354473 /nfs/dbraw/zinc/35/44/73/733354473.db2.gz MEPIDJIFHZARQP-CQSZACIVSA-N 1 0 359.495 3.200 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCOC1 ZINC000872029470 735579050 /nfs/dbraw/zinc/57/90/50/735579050.db2.gz XEUABUNDOJQZGO-QFBILLFUSA-N 1 0 350.478 3.082 20 10 FGCDRO C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877007148 736173962 /nfs/dbraw/zinc/17/39/62/736173962.db2.gz FCZBZEKGAGVDIF-UHFFFAOYSA-N 1 0 350.409 3.291 20 10 FGCDRO Nc1c(Cl)cccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000877582071 736688374 /nfs/dbraw/zinc/68/83/74/736688374.db2.gz HDMBEYXXZQXAOA-UHFFFAOYSA-N 1 0 367.827 3.327 20 10 FGCDRO CC(C)(C)OC(=O)Nc1cnc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000877612295 736693066 /nfs/dbraw/zinc/69/30/66/736693066.db2.gz GRRUUDQBUBDHLQ-UHFFFAOYSA-N 1 0 364.833 3.472 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000881853166 737390426 /nfs/dbraw/zinc/39/04/26/737390426.db2.gz LVHFESCEWGIPFQ-QGZVFWFLSA-N 1 0 370.324 3.029 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cc(Cl)cs3)cc2)CC1 ZINC000886325123 739243973 /nfs/dbraw/zinc/24/39/73/739243973.db2.gz VLJPXKAQCTZQSB-UHFFFAOYSA-N 1 0 363.914 3.393 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(Cl)cn3)SC2=S)CC1 ZINC000887271908 739351556 /nfs/dbraw/zinc/35/15/56/739351556.db2.gz BIMRTRZSSFRRNP-JYRVWZFOSA-N 1 0 353.900 3.030 20 10 FGCDRO CC(=O)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891247065 739885920 /nfs/dbraw/zinc/88/59/20/739885920.db2.gz HBKQYWCSJZHFIB-QGZVFWFLSA-N 1 0 359.495 3.049 20 10 FGCDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCC(C)(O)CC3)cc2F)C[C@H](C)O1 ZINC000892620530 740023592 /nfs/dbraw/zinc/02/35/92/740023592.db2.gz BJEIIISVIJQIDR-YSTSTLBASA-N 1 0 350.478 3.223 20 10 FGCDRO Oc1cc(Cl)cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000892624036 740024340 /nfs/dbraw/zinc/02/43/40/740024340.db2.gz YLUWGNODYGVOIR-UHFFFAOYSA-N 1 0 350.821 3.311 20 10 FGCDRO COc1ccc(C[NH2+]CCCc2nc3c(s2)CCCC3)c(O)c1OC ZINC000892857986 740051362 /nfs/dbraw/zinc/05/13/62/740051362.db2.gz MMXZHTPYLDWAJP-UHFFFAOYSA-N 1 0 362.495 3.467 20 10 FGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c1O ZINC000894176438 742248941 /nfs/dbraw/zinc/24/89/41/742248941.db2.gz SKJVAAAIVDGTMI-UHFFFAOYSA-N 1 0 356.344 3.335 20 10 FGCDRO COc1ccc(C[NH2+]CCc2ccc(Cl)c(OC)c2)c(O)c1OC ZINC000894646685 742313592 /nfs/dbraw/zinc/31/35/92/742313592.db2.gz HJHJSMGRWXMTKV-UHFFFAOYSA-N 1 0 351.830 3.404 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c(O)c1OC ZINC000894803494 742336742 /nfs/dbraw/zinc/33/67/42/742336742.db2.gz ZOIHHYPNGKJXPM-KRWDZBQOSA-N 1 0 351.468 3.320 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1Cl ZINC000896814035 742602942 /nfs/dbraw/zinc/60/29/42/742602942.db2.gz FHYCZFOADIBTBA-UHFFFAOYSA-N 1 0 353.871 3.090 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000897616650 742695966 /nfs/dbraw/zinc/69/59/66/742695966.db2.gz VNMGNCLJVMAQIN-LBPRGKRZSA-N 1 0 353.344 3.199 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000903391395 743843677 /nfs/dbraw/zinc/84/36/77/743843677.db2.gz XOSMMPGPJLPSLB-SWLSCSKDSA-N 1 0 370.287 3.452 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(Cl)cc1O ZINC000903424215 743848747 /nfs/dbraw/zinc/84/87/47/743848747.db2.gz ONJYJRDJBWAUAQ-LBPRGKRZSA-N 1 0 368.886 3.292 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1O ZINC000903424432 743848784 /nfs/dbraw/zinc/84/87/84/743848784.db2.gz VDMCJQILJRDCSH-SFHVURJKSA-N 1 0 362.495 3.337 20 10 FGCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000917479780 758226599 /nfs/dbraw/zinc/22/65/99/758226599.db2.gz GMFAFUYXFJLOKG-LBPRGKRZSA-N 1 0 364.239 3.303 20 10 FGCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917594616 758246174 /nfs/dbraw/zinc/24/61/74/758246174.db2.gz FZCOWWPOKDKTTN-IBGZPJMESA-N 1 0 360.571 3.076 20 10 FGCDRO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000921549590 758741035 /nfs/dbraw/zinc/74/10/35/758741035.db2.gz CFOIWDPMGKUQJH-UHFFFAOYSA-N 1 0 350.919 3.469 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000922483993 758933399 /nfs/dbraw/zinc/93/33/99/758933399.db2.gz DHQLZBXCPHVHLO-QGZVFWFLSA-N 1 0 357.523 3.343 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)C1(Br)CC1)c1ccc(N2CCOCC2)cc1 ZINC000924792546 759393239 /nfs/dbraw/zinc/39/32/39/759393239.db2.gz DGVHFIJRESMXBT-KBPBESRZSA-N 1 0 353.304 3.490 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)cn1 ZINC000925160655 759456570 /nfs/dbraw/zinc/45/65/70/759456570.db2.gz MLRRFHLOCLUNML-KBPBESRZSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000925778158 759536275 /nfs/dbraw/zinc/53/62/75/759536275.db2.gz RRHHCCFFZQXPTK-BDAKNGLRSA-N 1 0 367.209 3.189 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(C(F)(F)F)cc1O ZINC000927148332 759907193 /nfs/dbraw/zinc/90/71/93/759907193.db2.gz WMKYHTHDBZJYDX-DGCLKSJQSA-N 1 0 354.376 3.138 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCNc2cnccn2)c1O ZINC000779028088 724382346 /nfs/dbraw/zinc/38/23/46/724382346.db2.gz WKMCHGGNHDORNU-LLVKDONJSA-N 1 0 351.248 3.016 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000092645340 494694596 /nfs/dbraw/zinc/69/45/96/494694596.db2.gz UDRHDRPMBRJNMJ-UHFFFAOYSA-N 1 0 369.509 3.325 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(CO)c1 ZINC000121411160 494743669 /nfs/dbraw/zinc/74/36/69/494743669.db2.gz BCCGXKFHQDWXEF-HNNXBMFYSA-N 1 0 358.457 3.130 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000121412950 494744059 /nfs/dbraw/zinc/74/40/59/494744059.db2.gz QGXVKLKONBFISB-BDTNDASRSA-N 1 0 370.537 3.333 20 10 FGCDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093454461 494892729 /nfs/dbraw/zinc/89/27/29/494892729.db2.gz RJVISTZDCGXRKG-NRFANRHFSA-N 1 0 368.525 3.356 20 10 FGCDRO CN(Cc1noc(-c2ccsc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000127206428 494909398 /nfs/dbraw/zinc/90/93/98/494909398.db2.gz MEJYRVKXRYZVNK-UHFFFAOYSA-N 1 0 370.478 3.267 20 10 FGCDRO O=C1NCCCN1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093668832 494910950 /nfs/dbraw/zinc/91/09/50/494910950.db2.gz QWZQZLCTIXBLTG-UHFFFAOYSA-N 1 0 356.514 3.057 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCC(=O)N3CCCCCC3)CC2)cc1 ZINC000129078273 495192420 /nfs/dbraw/zinc/19/24/20/495192420.db2.gz GARJXUFOFJKOGX-UHFFFAOYSA-N 1 0 359.514 3.046 20 10 FGCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000113331587 495297682 /nfs/dbraw/zinc/29/76/82/495297682.db2.gz KHPYCLOWAFCDCR-UHFFFAOYSA-N 1 0 368.477 3.033 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179738702 495711945 /nfs/dbraw/zinc/71/19/45/495711945.db2.gz ORJZPEPQECRDAB-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000185874455 495759053 /nfs/dbraw/zinc/75/90/53/495759053.db2.gz YWFVLQAMIJWJCE-KDOFPFPSSA-N 1 0 374.481 3.372 20 10 FGCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182931897 495763131 /nfs/dbraw/zinc/76/31/31/495763131.db2.gz QSHXUPZAWDSVAB-LJQANCHMSA-N 1 0 368.477 3.319 20 10 FGCDRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000183006691 495795669 /nfs/dbraw/zinc/79/56/69/495795669.db2.gz ACVGRMFOQDJQOA-HRAATJIYSA-N 1 0 366.509 3.375 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000183046146 495812163 /nfs/dbraw/zinc/81/21/63/495812163.db2.gz CPOBHEKORKIRPU-ZIAGYGMSSA-N 1 0 350.413 3.341 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000186032217 495828459 /nfs/dbraw/zinc/82/84/59/495828459.db2.gz TZBGLLWRDJUBEF-HNNXBMFYSA-N 1 0 360.479 3.091 20 10 FGCDRO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cc(Br)ccc1O ZINC000155710804 496042538 /nfs/dbraw/zinc/04/25/38/496042538.db2.gz CJASKANVNMMYIH-INIZCTEOSA-N 1 0 369.303 3.454 20 10 FGCDRO CCNC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000156515014 496266617 /nfs/dbraw/zinc/26/66/17/496266617.db2.gz NLGMVNGXHDFODF-UHFFFAOYSA-N 1 0 367.493 3.204 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000165193950 496651245 /nfs/dbraw/zinc/65/12/45/496651245.db2.gz AJOFKDOXOGMSJT-CQSZACIVSA-N 1 0 359.401 3.421 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000273274278 496760589 /nfs/dbraw/zinc/76/05/89/496760589.db2.gz OZLRRYLRXBDCDX-LAUBAEHRSA-N 1 0 366.509 3.380 20 10 FGCDRO COc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)ccc1OCCO ZINC000273303819 496769311 /nfs/dbraw/zinc/76/93/11/496769311.db2.gz CERCSPUHKFHYQS-GFCCVEGCSA-N 1 0 351.830 3.276 20 10 FGCDRO Cc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000270925148 497227916 /nfs/dbraw/zinc/22/79/16/497227916.db2.gz KOQCJYCLWOIMKH-MRXNPFEDSA-N 1 0 354.498 3.291 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)ccc1OC ZINC000275302574 497280500 /nfs/dbraw/zinc/28/05/00/497280500.db2.gz NBBMLXOUBPOJOZ-RXVVDRJESA-N 1 0 373.497 3.202 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1O ZINC000271859018 497471974 /nfs/dbraw/zinc/47/19/74/497471974.db2.gz VNJSKOKORFCTMB-HNNXBMFYSA-N 1 0 354.219 3.425 20 10 FGCDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279569462 497473443 /nfs/dbraw/zinc/47/34/43/497473443.db2.gz FWKMRCALXRNOKW-UHFFFAOYSA-N 1 0 357.420 3.072 20 10 FGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]2CCCO[C@H]21 ZINC000245847048 497550090 /nfs/dbraw/zinc/55/00/90/497550090.db2.gz FSYFYOYPLMSONB-NSISKUIASA-N 1 0 362.489 3.080 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)ccc1OC ZINC000276443387 497575978 /nfs/dbraw/zinc/57/59/78/497575978.db2.gz IZYUOWTXZKIXFV-NRFANRHFSA-N 1 0 372.465 3.195 20 10 FGCDRO Nc1cccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000263255626 497743256 /nfs/dbraw/zinc/74/32/56/497743256.db2.gz KTRXIXRQUAEEFZ-UHFFFAOYSA-N 1 0 350.466 3.053 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccccc1O ZINC000284737253 497884348 /nfs/dbraw/zinc/88/43/48/497884348.db2.gz DVRAMZBIRZOQRZ-CSODHUTKSA-N 1 0 368.481 3.061 20 10 FGCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364416336 497944586 /nfs/dbraw/zinc/94/45/86/497944586.db2.gz LMWKBXAHAYBRFD-FCEWJHQRSA-N 1 0 360.498 3.191 20 10 FGCDRO O=C(Nc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1)[C@@H]1CCCO1 ZINC000296192969 497951608 /nfs/dbraw/zinc/95/16/08/497951608.db2.gz YRJASTGONKIZSE-HKUYNNGSSA-N 1 0 352.434 3.287 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cc1OC ZINC000284976802 497959506 /nfs/dbraw/zinc/95/95/06/497959506.db2.gz BMFYQMAPPBUQOP-UHFFFAOYSA-N 1 0 369.421 3.134 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@@H]31)OCO2 ZINC000285176809 498013748 /nfs/dbraw/zinc/01/37/48/498013748.db2.gz QTQRXBUKSMROAL-KURKYZTESA-N 1 0 353.418 3.125 20 10 FGCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1O ZINC000289188127 498052275 /nfs/dbraw/zinc/05/22/75/498052275.db2.gz BFRBBSSFXVYSMR-IBGZPJMESA-N 1 0 355.482 3.282 20 10 FGCDRO CN(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000360963633 498327453 /nfs/dbraw/zinc/32/74/53/498327453.db2.gz YRFAWWHBXJRVLE-PKTZIBPZSA-N 1 0 365.521 3.231 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1-c1ccccn1 ZINC000361170134 498355085 /nfs/dbraw/zinc/35/50/85/498355085.db2.gz UGMFNIXMUOSNKD-LJQANCHMSA-N 1 0 366.509 3.293 20 10 FGCDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)/C=C/c1cnc2ccccc2n1 ZINC000365217654 498355660 /nfs/dbraw/zinc/35/56/60/498355660.db2.gz GFAVTZHYDFDNHL-NADMHLTPSA-N 1 0 360.417 3.088 20 10 FGCDRO Cc1nc2c(c(NCc3ccc(N4CCOCC4)c(F)c3)n1)CCCC2 ZINC000302072806 498397435 /nfs/dbraw/zinc/39/74/35/498397435.db2.gz ZMMQKJFFTFTIQE-UHFFFAOYSA-N 1 0 356.445 3.252 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000282255693 498441137 /nfs/dbraw/zinc/44/11/37/498441137.db2.gz OXCIWFGONKVDLP-UHFFFAOYSA-N 1 0 368.300 3.370 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1OC ZINC000365669183 498589170 /nfs/dbraw/zinc/58/91/70/498589170.db2.gz SDMGUBTWOJYXJP-WOJBJXKFSA-N 1 0 363.498 3.032 20 10 FGCDRO Oc1ccccc1C[N@@H+](Cc1cnn(CC(F)F)c1)C[C@@H]1CCCO1 ZINC000294862047 498829918 /nfs/dbraw/zinc/82/99/18/498829918.db2.gz JNAALDXPEZGBJE-INIZCTEOSA-N 1 0 351.397 3.035 20 10 FGCDRO COc1ccc(N2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000363666951 498933911 /nfs/dbraw/zinc/93/39/11/498933911.db2.gz SIVOBDMOWYVWPX-UHFFFAOYSA-N 1 0 367.493 3.109 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c(O)c1 ZINC000283884515 499006183 /nfs/dbraw/zinc/00/61/83/499006183.db2.gz CGQKEJHCNHGOAW-DLBZAZTESA-N 1 0 355.482 3.480 20 10 FGCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000295662030 499075024 /nfs/dbraw/zinc/07/50/24/499075024.db2.gz JLCJKSXHZBTAIZ-KRWDZBQOSA-N 1 0 357.523 3.485 20 10 FGCDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000367570432 499213769 /nfs/dbraw/zinc/21/37/69/499213769.db2.gz HFSYXVQHASFAFQ-UHFFFAOYSA-N 1 0 368.264 3.422 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000370373589 499214307 /nfs/dbraw/zinc/21/43/07/499214307.db2.gz JXSMKOWVROMULG-RDJZCZTQSA-N 1 0 356.441 3.273 20 10 FGCDRO CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3ccccc3O)c2)n1 ZINC000367675688 499224019 /nfs/dbraw/zinc/22/40/19/499224019.db2.gz ZLWXSICAPYOBBP-UHFFFAOYSA-N 1 0 351.406 3.044 20 10 FGCDRO FC(F)(F)Oc1ccc(N2CC[C@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000370758279 499251962 /nfs/dbraw/zinc/25/19/62/499251962.db2.gz RRPMWJFVNVOLCC-CQSZACIVSA-N 1 0 356.388 3.348 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)c3ccc(C)c(O)c3)CC2)cc1 ZINC000368065875 499260891 /nfs/dbraw/zinc/26/08/91/499260891.db2.gz XCTXBIICUKQIPZ-UHFFFAOYSA-N 1 0 354.450 3.450 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000368330061 499286151 /nfs/dbraw/zinc/28/61/51/499286151.db2.gz FXSLXZVWJUFSJQ-CQSZACIVSA-N 1 0 370.449 3.062 20 10 FGCDRO COc1cccc(C(=O)N2CCC[N@H+](Cc3cc(C)ccc3O)CC2)c1 ZINC000368581202 499309926 /nfs/dbraw/zinc/30/99/26/499309926.db2.gz FLSKYZTVHHIULB-UHFFFAOYSA-N 1 0 354.450 3.057 20 10 FGCDRO CC(C)c1nnc([C@H]2CC23CC[NH+](Cc2cc4c(cc2O)OCO4)CC3)o1 ZINC000371334116 499311865 /nfs/dbraw/zinc/31/18/65/499311865.db2.gz XGJQHANOHUHRRX-CQSZACIVSA-N 1 0 371.437 3.397 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000371458519 499329463 /nfs/dbraw/zinc/32/94/63/499329463.db2.gz QOXWYSTXCDTWCG-UYAOXDASSA-N 1 0 365.521 3.494 20 10 FGCDRO COC(=O)c1ccnc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)c1 ZINC000371865283 499373203 /nfs/dbraw/zinc/37/32/03/499373203.db2.gz TWZNBJMVAPHVRV-OAHLLOKOSA-N 1 0 369.465 3.202 20 10 FGCDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)n1 ZINC000369692203 499436976 /nfs/dbraw/zinc/43/69/76/499436976.db2.gz IJDFIQFNXYERTF-UHFFFAOYSA-N 1 0 354.769 3.127 20 10 FGCDRO COc1c([O-])c(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)ccc1[N+](=O)[O-] ZINC000373204539 499457135 /nfs/dbraw/zinc/45/71/35/499457135.db2.gz OOEIYUPUNQXZGA-UHFFFAOYSA-N 1 0 374.441 3.035 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(O)(Cc3ccc(C)cc3)CC2)cc1OC ZINC000373467871 499471661 /nfs/dbraw/zinc/47/16/61/499471661.db2.gz SSCSWGNJHYUPHW-UHFFFAOYSA-N 1 0 371.477 3.287 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000373600178 499479143 /nfs/dbraw/zinc/47/91/43/499479143.db2.gz BJNCEQYARPVAEP-CYBMUJFWSA-N 1 0 360.479 3.418 20 10 FGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccc2C1 ZINC000378493059 499523823 /nfs/dbraw/zinc/52/38/23/499523823.db2.gz HRFJACARAUGJNE-HXUWFJFHSA-N 1 0 355.457 3.475 20 10 FGCDRO CCn1cnnc1[C@@H]1C[N@@H+]([C@@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752585 499551672 /nfs/dbraw/zinc/55/16/72/499551672.db2.gz BOSWSCVDHPFPTK-LIRRHRJNSA-N 1 0 356.470 3.017 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000376151833 499586829 /nfs/dbraw/zinc/58/68/29/499586829.db2.gz XATQOTRGJATPDS-HTAPYJJXSA-N 1 0 352.478 3.488 20 10 FGCDRO CC[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(C)cc1O ZINC000376572474 499619643 /nfs/dbraw/zinc/61/96/43/499619643.db2.gz SRCHOIVFHJOGGU-ROUUACIJSA-N 1 0 354.450 3.381 20 10 FGCDRO Cc1cnn(C)c1C[NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000377142644 499665717 /nfs/dbraw/zinc/66/57/17/499665717.db2.gz OZCAMIDOWKEGFV-AWEZNQCLSA-N 1 0 368.403 3.243 20 10 FGCDRO C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377624057 499712385 /nfs/dbraw/zinc/71/23/85/499712385.db2.gz KNDKKPFIOFWLQG-AWEZNQCLSA-N 1 0 372.340 3.158 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)ccc21 ZINC000421708241 500124792 /nfs/dbraw/zinc/12/47/92/500124792.db2.gz ZTWNSDVBAQZMQF-GOSISDBHSA-N 1 0 357.498 3.071 20 10 FGCDRO CO[C@@H]1CCC[C@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000453015946 501602120 /nfs/dbraw/zinc/60/21/20/501602120.db2.gz XPXLKTRTNRFAFP-WIYYLYMNSA-N 1 0 369.509 3.092 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@H](C)O2)C1 ZINC000457361576 501687356 /nfs/dbraw/zinc/68/73/56/501687356.db2.gz KRNHMIWTBXXEEN-DLBZAZTESA-N 1 0 369.509 3.092 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)ccc21 ZINC000484736083 502725742 /nfs/dbraw/zinc/72/57/42/502725742.db2.gz ZLOFHQXGTYZCJW-MRXNPFEDSA-N 1 0 371.525 3.366 20 10 FGCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@H]1C ZINC000498553260 503207816 /nfs/dbraw/zinc/20/78/16/503207816.db2.gz FECKEQLTAGVPKR-HZPDHXFCSA-N 1 0 371.525 3.459 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@H](F)C2)C1 ZINC000557953272 505270670 /nfs/dbraw/zinc/27/06/70/505270670.db2.gz YUCFWEFMYMCRCW-JKSUJKDBSA-N 1 0 357.473 3.415 20 10 FGCDRO C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927699 604767807 /nfs/dbraw/zinc/76/78/07/604767807.db2.gz BNIQBXMZLBNFDT-KXBFYZLASA-N 1 0 354.450 3.160 20 10 FGCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(O)(C(F)(F)F)CC3)c2c1 ZINC000089651781 700393261 /nfs/dbraw/zinc/39/32/61/700393261.db2.gz DSVLJBMEEYVRAQ-UHFFFAOYSA-N 1 0 355.356 3.443 20 10 FGCDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093317185 700450238 /nfs/dbraw/zinc/45/02/38/700450238.db2.gz FTYMURHQNUSVMP-SFHVURJKSA-N 1 0 350.478 3.443 20 10 FGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Br)ccc2O)cc1 ZINC000093415237 700451076 /nfs/dbraw/zinc/45/10/76/700451076.db2.gz YCXFTRPKWUHMAK-INIZCTEOSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000093643857 700452927 /nfs/dbraw/zinc/45/29/27/700452927.db2.gz HCWBTVIFXKWHAS-BXUZGUMPSA-N 1 0 357.292 3.078 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116439893 700593648 /nfs/dbraw/zinc/59/36/48/700593648.db2.gz KJUDJZKNYQDPOJ-GUYCJALGSA-N 1 0 351.491 3.127 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1F ZINC000119910799 700642408 /nfs/dbraw/zinc/64/24/08/700642408.db2.gz ZLBQKWICHQHFOE-UHFFFAOYSA-N 1 0 361.486 3.348 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000120987851 700663405 /nfs/dbraw/zinc/66/34/05/700663405.db2.gz RZUUSTMPJOLNEI-OAHLLOKOSA-N 1 0 357.292 3.089 20 10 FGCDRO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000138683018 704874544 /nfs/dbraw/zinc/87/45/44/704874544.db2.gz PTOYHWKGBBGIFH-GJZGRUSLSA-N 1 0 350.413 3.132 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000154611272 705041406 /nfs/dbraw/zinc/04/14/06/705041406.db2.gz ZRNOPCKHHMBJCQ-HNNXBMFYSA-N 1 0 368.572 3.285 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000158574649 705190980 /nfs/dbraw/zinc/19/09/80/705190980.db2.gz SOLLHQOKDLLSQI-KGLIPLIRSA-N 1 0 351.443 3.353 20 10 FGCDRO COc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000159663857 705230297 /nfs/dbraw/zinc/23/02/97/705230297.db2.gz RDTCENOUQGJILT-UHFFFAOYSA-N 1 0 356.457 3.471 20 10 FGCDRO COC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000163067694 705308188 /nfs/dbraw/zinc/30/81/88/705308188.db2.gz MUZTYCUALAQJBN-UHFFFAOYSA-N 1 0 360.479 3.256 20 10 FGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000164404634 705329078 /nfs/dbraw/zinc/32/90/78/705329078.db2.gz VNFVETRIRKTGBL-UHFFFAOYSA-N 1 0 354.479 3.336 20 10 FGCDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(O)c1O ZINC000177677450 705634898 /nfs/dbraw/zinc/63/48/98/705634898.db2.gz NHRCEVYHZLYZPK-CQSZACIVSA-N 1 0 360.479 3.110 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000180900195 705762795 /nfs/dbraw/zinc/76/27/95/705762795.db2.gz AUYAMOGWMVWYFS-CZUORRHYSA-N 1 0 350.459 3.136 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185288888 712690687 /nfs/dbraw/zinc/69/06/87/712690687.db2.gz YJMVAYONMMQXMB-OAHLLOKOSA-N 1 0 360.479 3.091 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC000186200813 712712027 /nfs/dbraw/zinc/71/20/27/712712027.db2.gz OFDJIJSYTUPFBU-WBMJQRKESA-N 1 0 350.459 3.355 20 10 FGCDRO Cc1cc2c(ncnc2N2CC[NH+](Cc3cc(C)ccc3O)CC2)s1 ZINC000188758600 712776575 /nfs/dbraw/zinc/77/65/75/712776575.db2.gz GKCBWFUQACHALW-UHFFFAOYSA-N 1 0 354.479 3.336 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000373974988 713889371 /nfs/dbraw/zinc/88/93/71/713889371.db2.gz GERFPRFLGNIKIU-FHSNZYRGSA-N 1 0 355.862 3.213 20 10 FGCDRO Oc1ccc(F)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374889587 713951408 /nfs/dbraw/zinc/95/14/08/713951408.db2.gz CILLJOJHMPKGLK-UHFFFAOYSA-N 1 0 354.223 3.327 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382477143 713979901 /nfs/dbraw/zinc/97/99/01/713979901.db2.gz UGJSHRBYJZFDTJ-DZGCQCFKSA-N 1 0 350.459 3.184 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000779164148 724397001 /nfs/dbraw/zinc/39/70/01/724397001.db2.gz WADJTTGTTFNZHP-ZIAGYGMSSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000779164139 724397175 /nfs/dbraw/zinc/39/71/75/724397175.db2.gz WADJTTGTTFNZHP-KBPBESRZSA-N 1 0 350.459 3.136 20 10 FGCDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000802652204 724397502 /nfs/dbraw/zinc/39/75/02/724397502.db2.gz PJIBEWRZOVMTCS-MRXNPFEDSA-N 1 0 360.420 3.399 20 10 FGCDRO CN(Cc1c(O)cccc1Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779225706 724400846 /nfs/dbraw/zinc/40/08/46/724400846.db2.gz VCPLWBBYLSMBJV-HXUWFJFHSA-N 1 0 360.885 3.114 20 10 FGCDRO CCc1[nH]ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000802782319 724406563 /nfs/dbraw/zinc/40/65/63/724406563.db2.gz SAMHYZHRIQTMMG-OAHLLOKOSA-N 1 0 361.873 3.331 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000781928522 724613466 /nfs/dbraw/zinc/61/34/66/724613466.db2.gz WXUIGQGRUMJGHP-INIZCTEOSA-N 1 0 366.255 3.377 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000783594454 724769953 /nfs/dbraw/zinc/76/99/53/724769953.db2.gz FYTTWNACJIVURS-AWEZNQCLSA-N 1 0 358.404 3.058 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])[C@H](C)[NH3+] ZINC000817978220 727289910 /nfs/dbraw/zinc/28/99/10/727289910.db2.gz YNXBIRAUQNBSRY-RNJXMRFFSA-N 1 0 366.097 3.304 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1O ZINC000700781175 722409920 /nfs/dbraw/zinc/40/99/20/722409920.db2.gz TUGDOPMSGFIMTG-DZGCQCFKSA-N 1 0 350.459 3.278 20 10 FGCDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000717101638 722417508 /nfs/dbraw/zinc/41/75/08/722417508.db2.gz VZAZGSAWOFDTSG-CQSZACIVSA-N 1 0 356.413 3.374 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(Cl)o3)CC2)cc1 ZINC000726708566 722437248 /nfs/dbraw/zinc/43/72/48/722437248.db2.gz OLXYHUNFCALQAA-UHFFFAOYSA-N 1 0 363.889 3.244 20 10 FGCDRO CCN(CC)c1ccc(CN(C)C(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727070684 722440827 /nfs/dbraw/zinc/44/08/27/722440827.db2.gz MAPFVKCVCRCTPO-UHFFFAOYSA-N 1 0 364.603 3.427 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1 ZINC000731450176 722475427 /nfs/dbraw/zinc/47/54/27/722475427.db2.gz MELWOWTZMHSZPO-INIZCTEOSA-N 1 0 353.340 3.343 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000732227908 722482798 /nfs/dbraw/zinc/48/27/98/722482798.db2.gz HLHNQTFLHNECAJ-UHFFFAOYSA-N 1 0 355.221 3.436 20 10 FGCDRO COc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1O ZINC000734843026 722510459 /nfs/dbraw/zinc/51/04/59/722510459.db2.gz BSTXKMFKNKQMLN-YOEHRIQHSA-N 1 0 355.356 3.025 20 10 FGCDRO CCSCC[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749366963 722726309 /nfs/dbraw/zinc/72/63/09/722726309.db2.gz XRXACWHSUIDIQJ-INIZCTEOSA-N 1 0 351.560 3.175 20 10 FGCDRO COc1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000751958443 722837693 /nfs/dbraw/zinc/83/76/93/722837693.db2.gz SDOCHSMVSUTYSC-UHFFFAOYSA-N 1 0 361.873 3.212 20 10 FGCDRO C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cc(F)ccc1O ZINC000756363659 722963419 /nfs/dbraw/zinc/96/34/19/722963419.db2.gz HMDKSSYPYUBIEA-VIFPVBQESA-N 1 0 354.307 3.444 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC000756443744 722964754 /nfs/dbraw/zinc/96/47/54/722964754.db2.gz IIEVJKIUSAEECU-HNNXBMFYSA-N 1 0 362.495 3.238 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756490576 722965463 /nfs/dbraw/zinc/96/54/63/722965463.db2.gz WJFSTRXETRIBER-BDAKNGLRSA-N 1 0 361.255 3.248 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000756492980 722965517 /nfs/dbraw/zinc/96/55/17/722965517.db2.gz BJCGCMPWZGLWKX-NEPJUHHUSA-N 1 0 352.431 3.315 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2O ZINC000756759886 722969687 /nfs/dbraw/zinc/96/96/87/722969687.db2.gz NIJFTNUOJXSOCD-USWWRNFRSA-N 1 0 360.351 3.223 20 10 FGCDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCSc2nccs2)C1 ZINC000759569109 723009534 /nfs/dbraw/zinc/00/95/34/723009534.db2.gz IMOLUBIBVDKULE-CQSZACIVSA-N 1 0 370.588 3.435 20 10 FGCDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759600470 723011224 /nfs/dbraw/zinc/01/12/24/723011224.db2.gz GCUSLGOTSRBUBY-UHFFFAOYSA-N 1 0 370.588 3.387 20 10 FGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000760886023 723101611 /nfs/dbraw/zinc/10/16/11/723101611.db2.gz NNODQBQSCKVCRM-ZOCIIQOWSA-N 1 0 368.905 3.021 20 10 FGCDRO CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(Cl)cc(OC)c1O ZINC000761203372 723132876 /nfs/dbraw/zinc/13/28/76/723132876.db2.gz QTELCLINIZPSEN-HZPDHXFCSA-N 1 0 354.878 3.276 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000761216806 723133904 /nfs/dbraw/zinc/13/39/04/723133904.db2.gz XVOSAGCYIPEPAG-SFHVURJKSA-N 1 0 351.805 3.287 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1F ZINC000791003749 723204496 /nfs/dbraw/zinc/20/44/96/723204496.db2.gz HICZVNYEEBPCDC-HNNXBMFYSA-N 1 0 352.400 3.111 20 10 FGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1N1CCOCC1 ZINC000762612587 723262091 /nfs/dbraw/zinc/26/20/91/723262091.db2.gz GYMZTDJOCUCPIU-BPQIPLTHSA-N 1 0 368.543 3.132 20 10 FGCDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000792926735 723383157 /nfs/dbraw/zinc/38/31/57/723383157.db2.gz NUOPMLHPIDWGBP-HNNXBMFYSA-N 1 0 352.862 3.129 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(N(C)C)CCSC2)c(C(F)(F)F)c1 ZINC000792999109 723391391 /nfs/dbraw/zinc/39/13/91/723391391.db2.gz BZDBPPQSRWNDSR-INIZCTEOSA-N 1 0 361.477 3.298 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccccc2I)c(O)c1 ZINC000793387548 723432732 /nfs/dbraw/zinc/43/27/32/723432732.db2.gz GMAOAKGJZGAJFL-UHFFFAOYSA-N 1 0 369.202 3.295 20 10 FGCDRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000793389717 723432984 /nfs/dbraw/zinc/43/29/84/723432984.db2.gz NACVDCILLHCNQU-ZIAGYGMSSA-N 1 0 357.397 3.248 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765608850 723527253 /nfs/dbraw/zinc/52/72/53/723527253.db2.gz MKFJLDCPRRAYRZ-LBPRGKRZSA-N 1 0 367.417 3.469 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766144752 723558285 /nfs/dbraw/zinc/55/82/85/723558285.db2.gz LHYCAVKQMFGKIC-ZMSDIMECSA-N 1 0 352.906 3.378 20 10 FGCDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437964 723657481 /nfs/dbraw/zinc/65/74/81/723657481.db2.gz LGUHRJAVIKDQQY-MRXNPFEDSA-N 1 0 353.340 3.469 20 10 FGCDRO COc1cc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c(O)cc1C ZINC000768442163 723657711 /nfs/dbraw/zinc/65/77/11/723657711.db2.gz JXCJBOXGKXSAEW-UHFFFAOYSA-N 1 0 360.479 3.119 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](CSc3ccccc3)C1)[C@@H](O)CO2 ZINC000768466143 723658454 /nfs/dbraw/zinc/65/84/54/723658454.db2.gz MUAIUAUUJIUPJH-LIRRHRJNSA-N 1 0 357.475 3.432 20 10 FGCDRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769686581 723692197 /nfs/dbraw/zinc/69/21/97/723692197.db2.gz BBTDULHAZBZSAI-YVWKXTFCSA-N 1 0 364.555 3.226 20 10 FGCDRO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058309 723726944 /nfs/dbraw/zinc/72/69/44/723726944.db2.gz MMRBSESEWRSTLQ-JFIYKMOQSA-N 1 0 366.889 3.084 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000771890971 723744507 /nfs/dbraw/zinc/74/45/07/723744507.db2.gz VNLCKOPSGXAYBB-UONOGXRCSA-N 1 0 358.276 3.457 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774114582 723860740 /nfs/dbraw/zinc/86/07/40/723860740.db2.gz GNMDYLVAGFCNIA-LBPRGKRZSA-N 1 0 360.329 3.376 20 10 FGCDRO COc1cc([N+](=O)[O-])c(N2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000774516586 723901574 /nfs/dbraw/zinc/90/15/74/723901574.db2.gz AYKOZOYBVZNTEO-UHFFFAOYSA-N 1 0 351.447 3.169 20 10 FGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000775350510 723985058 /nfs/dbraw/zinc/98/50/58/723985058.db2.gz NJNWVTSIPCCUNJ-NEPJUHHUSA-N 1 0 371.275 3.111 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1O ZINC000775490295 723995312 /nfs/dbraw/zinc/99/53/12/723995312.db2.gz VPKKZAHSCMIDFU-AEFFLSMTSA-N 1 0 370.946 3.294 20 10 FGCDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)ccc1O ZINC000775551465 723999942 /nfs/dbraw/zinc/99/99/42/723999942.db2.gz NIOUJRHUMDGHBA-INIZCTEOSA-N 1 0 374.934 3.148 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690775 724026008 /nfs/dbraw/zinc/02/60/08/724026008.db2.gz XFYLLLHCRKIWBL-DGCLKSJQSA-N 1 0 368.193 3.351 20 10 FGCDRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775833216 724069506 /nfs/dbraw/zinc/06/95/06/724069506.db2.gz ILGAEZVFJBNJSX-ZDUSSCGKSA-N 1 0 361.515 3.092 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H](O)C(F)(F)F ZINC000776252930 724124100 /nfs/dbraw/zinc/12/41/00/724124100.db2.gz GOLNVAAGZSKXHG-CMPLNLGQSA-N 1 0 356.182 3.255 20 10 FGCDRO COc1cc(N2CC[NH+](CCSC(C)(C)C)CC2)cc(OC)c1OC ZINC000801941608 724348610 /nfs/dbraw/zinc/34/86/10/724348610.db2.gz ROPZSBQZKNGVJL-UHFFFAOYSA-N 1 0 368.543 3.366 20 10 FGCDRO Oc1ccccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000778996557 724379569 /nfs/dbraw/zinc/37/95/69/724379569.db2.gz QEGSEKDMXFQWNL-UHFFFAOYSA-N 1 0 361.283 3.473 20 10 FGCDRO CO[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000786949560 725009788 /nfs/dbraw/zinc/00/97/88/725009788.db2.gz JTFSTZCYWMONMP-LRDDRELGSA-N 1 0 364.383 3.280 20 10 FGCDRO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788614767 725075964 /nfs/dbraw/zinc/07/59/64/725075964.db2.gz WQNQBMQRWKQQBE-CYBMUJFWSA-N 1 0 359.436 3.088 20 10 FGCDRO CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806127530 725116693 /nfs/dbraw/zinc/11/66/93/725116693.db2.gz GARZPQUKKLYVKC-INIZCTEOSA-N 1 0 360.329 3.377 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1C ZINC000808422281 725200406 /nfs/dbraw/zinc/20/04/06/725200406.db2.gz ILRSYZUGBSBVRS-OAHLLOKOSA-N 1 0 358.404 3.427 20 10 FGCDRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000809691168 725258999 /nfs/dbraw/zinc/25/89/99/725258999.db2.gz IXFPLQILRFWGRZ-INIZCTEOSA-N 1 0 350.459 3.282 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000809705885 725260771 /nfs/dbraw/zinc/26/07/71/725260771.db2.gz CSZFJLLMPQLJAV-UHFFFAOYSA-N 1 0 358.825 3.130 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@]2(C)CCCO)c1O ZINC000809757388 725265801 /nfs/dbraw/zinc/26/58/01/725265801.db2.gz MIIIFUNDMPMWSK-MRXNPFEDSA-N 1 0 358.276 3.290 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000810125382 725291200 /nfs/dbraw/zinc/29/12/00/725291200.db2.gz DLVIWWYXGNRNAX-UHFFFAOYSA-N 1 0 359.271 3.453 20 10 FGCDRO OC[C@@]1(C[NH2+]Cc2cc(Br)ccc2O)C[C@H]1c1ccccc1 ZINC000810165570 725294034 /nfs/dbraw/zinc/29/40/34/725294034.db2.gz WMTUCHXHZZJSJK-WMZOPIPTSA-N 1 0 362.267 3.411 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(C(F)(F)F)cc1O ZINC000810216441 725297284 /nfs/dbraw/zinc/29/72/84/725297284.db2.gz VYHWAXJIDIMHOU-JSGCOSHPSA-N 1 0 354.376 3.367 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810227698 725298226 /nfs/dbraw/zinc/29/82/26/725298226.db2.gz ZVNSLAWENQORBV-MMMKDXCPSA-N 1 0 356.388 3.461 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810240184 725298993 /nfs/dbraw/zinc/29/89/93/725298993.db2.gz QHDIBUZZCAALKO-BXUZGUMPSA-N 1 0 365.417 3.277 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000811511681 725371406 /nfs/dbraw/zinc/37/14/06/725371406.db2.gz QPXCUHWWXADDFC-OAHLLOKOSA-N 1 0 368.861 3.297 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813792887 726914879 /nfs/dbraw/zinc/91/48/79/726914879.db2.gz YBOUPHUIPLVDQC-QGZVFWFLSA-N 1 0 367.262 3.477 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000814176954 726945134 /nfs/dbraw/zinc/94/51/34/726945134.db2.gz WEXLVDJXEQSAAU-CJNGLKHVSA-N 1 0 350.434 3.363 20 10 FGCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000814301281 726954596 /nfs/dbraw/zinc/95/45/96/726954596.db2.gz RJMBMHVQWQYBSF-ZDUSSCGKSA-N 1 0 359.436 3.413 20 10 FGCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815578195 727084804 /nfs/dbraw/zinc/08/48/04/727084804.db2.gz JOBQWPTXLPZEQX-KBPBESRZSA-N 1 0 360.420 3.299 20 10 FGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000815633024 727087489 /nfs/dbraw/zinc/08/74/89/727087489.db2.gz DNNAZELCJNEHFS-NWDGAFQWSA-N 1 0 357.292 3.358 20 10 FGCDRO C[C@H]([NH2+]CCCSc1nccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816553077 727174568 /nfs/dbraw/zinc/17/45/68/727174568.db2.gz HZRGZGQHKIMXOI-LBPRGKRZSA-N 1 0 357.545 3.470 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cc(C)nc(C)c2)c1O ZINC000817409494 727248033 /nfs/dbraw/zinc/24/80/33/727248033.db2.gz CTXSJPKTPKRMTN-UHFFFAOYSA-N 1 0 351.244 3.465 20 10 FGCDRO CCCN1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000817409958 727248149 /nfs/dbraw/zinc/24/81/49/727248149.db2.gz HGQPPBVFWSOJAB-ZDUSSCGKSA-N 1 0 357.420 3.120 20 10 FGCDRO C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000817951426 727289240 /nfs/dbraw/zinc/28/92/40/727289240.db2.gz FHZPWBCTOUFNPG-JGVFFNPUSA-N 1 0 366.097 3.305 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(Cl)nc(Cl)n3C)C2)cc1 ZINC000818219052 727302035 /nfs/dbraw/zinc/30/20/35/727302035.db2.gz AXRDOBJGTBFWJP-GFCCVEGCSA-N 1 0 369.296 3.352 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000818941728 727328630 /nfs/dbraw/zinc/32/86/30/727328630.db2.gz PGQDIOFCNUXXGV-QGZVFWFLSA-N 1 0 367.262 3.477 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCN2CCOC2=O)cc1 ZINC000823782860 729304608 /nfs/dbraw/zinc/30/46/08/729304608.db2.gz UITMQAVTVHMPMD-UHFFFAOYSA-N 1 0 359.495 3.316 20 10 FGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824575876 729348797 /nfs/dbraw/zinc/34/87/97/729348797.db2.gz SSTYKMVFLAVOLV-UHFFFAOYSA-N 1 0 356.260 3.320 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(C(F)(F)F)cc1O ZINC000824584055 729349163 /nfs/dbraw/zinc/34/91/63/729349163.db2.gz VWQRHOKSZGLMCC-ZBFHGGJFSA-N 1 0 360.420 3.299 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000824636928 729352174 /nfs/dbraw/zinc/35/21/74/729352174.db2.gz VEJYBJXYJWFFDC-BBRMVZONSA-N 1 0 357.401 3.079 20 10 FGCDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000824845017 729361771 /nfs/dbraw/zinc/36/17/71/729361771.db2.gz GRDKPMCUSZYUIY-YLJYHZDGSA-N 1 0 352.494 3.041 20 10 FGCDRO CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825143761 729372668 /nfs/dbraw/zinc/37/26/68/729372668.db2.gz HKXYKEQFFGNGNA-UHFFFAOYSA-N 1 0 369.303 3.281 20 10 FGCDRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccc(F)cc1F ZINC000825283173 729377054 /nfs/dbraw/zinc/37/70/54/729377054.db2.gz HEOXSDPPFZJXEF-INIZCTEOSA-N 1 0 372.209 3.430 20 10 FGCDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825341639 729379406 /nfs/dbraw/zinc/37/94/06/729379406.db2.gz PHKNVPOWLKQSLA-HNNXBMFYSA-N 1 0 367.287 3.035 20 10 FGCDRO Cn1cc(C[NH2+]Cc2ccc(Br)cc2O)c(C(F)(F)F)n1 ZINC000825376346 729380904 /nfs/dbraw/zinc/38/09/04/729380904.db2.gz YJPMXIMIRGIKMM-UHFFFAOYSA-N 1 0 364.165 3.197 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825738114 729393711 /nfs/dbraw/zinc/39/37/11/729393711.db2.gz JMOPMSCPBHMPRH-UHFFFAOYSA-N 1 0 359.900 3.499 20 10 FGCDRO COC(=O)c1oc(C[NH2+]Cc2cc(Br)ccc2O)cc1C ZINC000825893103 729398781 /nfs/dbraw/zinc/39/87/81/729398781.db2.gz OSPFTFZJDHQDOA-UHFFFAOYSA-N 1 0 354.200 3.133 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cc(Cl)ccc2Cl)cc1 ZINC000832282060 729701851 /nfs/dbraw/zinc/70/18/51/729701851.db2.gz XRGQMDKJWVYRHB-QGZVFWFLSA-N 1 0 366.292 3.418 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000832292235 729703025 /nfs/dbraw/zinc/70/30/25/729703025.db2.gz DHLSWZCPYPNQIK-KRWDZBQOSA-N 1 0 366.292 3.418 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c(O)c1C ZINC000834839606 729838047 /nfs/dbraw/zinc/83/80/47/729838047.db2.gz BPGHCYBYHKGARP-CYBMUJFWSA-N 1 0 365.271 3.284 20 10 FGCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834877959 729841270 /nfs/dbraw/zinc/84/12/70/729841270.db2.gz HHWQMBHXPUVJAZ-WMZOPIPTSA-N 1 0 367.559 3.045 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c(O)c1C ZINC000834882020 729841819 /nfs/dbraw/zinc/84/18/19/729841819.db2.gz HVWPERYWIUIRFA-HNNXBMFYSA-N 1 0 362.495 3.110 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O ZINC000834882143 729841839 /nfs/dbraw/zinc/84/18/39/729841839.db2.gz IKOXLAIXMLTNAD-LBPRGKRZSA-N 1 0 368.886 3.147 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1cc(Br)ccc1O ZINC000834880706 729841936 /nfs/dbraw/zinc/84/19/36/729841936.db2.gz OMGGEEDWUHEFGY-DIOULYMOSA-N 1 0 358.276 3.247 20 10 FGCDRO CC[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)F)cc1O ZINC000834888085 729843122 /nfs/dbraw/zinc/84/31/22/729843122.db2.gz MVBGNPHTJHLZOY-IJEWVQPXSA-N 1 0 358.404 3.315 20 10 FGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000835058563 729854139 /nfs/dbraw/zinc/85/41/39/729854139.db2.gz QPSLRCHXUQOYCA-IBGZPJMESA-N 1 0 360.523 3.434 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1O ZINC000840797083 730175447 /nfs/dbraw/zinc/17/54/47/730175447.db2.gz PTAPGGVXPYWXPW-BBRMVZONSA-N 1 0 369.889 3.420 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c(Cl)c1 ZINC000840881016 730187550 /nfs/dbraw/zinc/18/75/50/730187550.db2.gz MYIWQOGPCPIMHX-UHFFFAOYSA-N 1 0 353.871 3.188 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Br)cc1O ZINC000840886673 730188454 /nfs/dbraw/zinc/18/84/54/730188454.db2.gz LPRHMPFCVDNBKE-DYLAAIIWSA-N 1 0 350.203 3.354 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000840911416 730190321 /nfs/dbraw/zinc/19/03/21/730190321.db2.gz ZUUZKFMWPOCWGE-UHFFFAOYSA-N 1 0 357.523 3.471 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000840917816 730191254 /nfs/dbraw/zinc/19/12/54/730191254.db2.gz NLONKCABBVRBRS-GFCCVEGCSA-N 1 0 362.817 3.344 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c(Cl)c1 ZINC000840945470 730195014 /nfs/dbraw/zinc/19/50/14/730195014.db2.gz OXUXXZWBKICKMI-AWEZNQCLSA-N 1 0 362.857 3.454 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Cl)c1 ZINC000840953588 730196276 /nfs/dbraw/zinc/19/62/76/730196276.db2.gz VMTANEPYNJEEIJ-ZDUSSCGKSA-N 1 0 370.877 3.080 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000840955957 730197035 /nfs/dbraw/zinc/19/70/35/730197035.db2.gz CPRMPRAAVUTETB-UHFFFAOYSA-N 1 0 365.882 3.358 20 10 FGCDRO COc1cc(Br)c(C[NH2+]CCc2ccc(N)cc2)cc1O ZINC000841035303 730205097 /nfs/dbraw/zinc/20/50/97/730205097.db2.gz MEINPNVQHLSNQZ-UHFFFAOYSA-N 1 0 351.244 3.078 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(Br)s2)cc1 ZINC000841042026 730205497 /nfs/dbraw/zinc/20/54/97/730205497.db2.gz GUTYBLMELYAEOL-CQSZACIVSA-N 1 0 354.317 3.366 20 10 FGCDRO C[NH2+]Cc1cccc(NCc2cc(Br)cc(OC)c2O)c1 ZINC000841042400 730205823 /nfs/dbraw/zinc/20/58/23/730205823.db2.gz GPMBRQGWYIBDFU-UHFFFAOYSA-N 1 0 351.244 3.495 20 10 FGCDRO COc1cc(Br)cc(CNc2ccc(OCC[NH3+])cc2)c1O ZINC000841053172 730206609 /nfs/dbraw/zinc/20/66/09/730206609.db2.gz MUVNPKABOMOYEU-UHFFFAOYSA-N 1 0 367.243 3.113 20 10 FGCDRO [NH3+]CC[C@H](NCc1ccc(OCc2ccccc2)cc1O)C(F)(F)F ZINC000841090882 730209907 /nfs/dbraw/zinc/20/99/07/730209907.db2.gz PJPVGYOSZMJMIY-KRWDZBQOSA-N 1 0 354.372 3.341 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(Cl)cc1O ZINC000841747330 730270173 /nfs/dbraw/zinc/27/01/73/730270173.db2.gz AMQDIIRIODFXPH-NSHDSACASA-N 1 0 351.855 3.226 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841746407 730270182 /nfs/dbraw/zinc/27/01/82/730270182.db2.gz GHGDASWVFAQEAG-NWDGAFQWSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1O ZINC000841758531 730271233 /nfs/dbraw/zinc/27/12/33/730271233.db2.gz SSARJWNHFAIKQZ-NEPJUHHUSA-N 1 0 351.855 3.267 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000841858368 730281527 /nfs/dbraw/zinc/28/15/27/730281527.db2.gz XCLMOMPZLYOFTH-LSDHHAIUSA-N 1 0 368.572 3.189 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CCC[NH2+]3)cc2Cl)C1 ZINC000841895396 730283782 /nfs/dbraw/zinc/28/37/82/730283782.db2.gz BKMRPVMZJBLEFK-GDBMZVCRSA-N 1 0 364.921 3.128 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCCC[NH2+]C(C)C ZINC000841932168 730284898 /nfs/dbraw/zinc/28/48/98/730284898.db2.gz LIJUKKQZCKYFJD-UHFFFAOYSA-N 1 0 372.307 3.074 20 10 FGCDRO c1ccc2c(c1)O[C@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CS2 ZINC000842726861 730536219 /nfs/dbraw/zinc/53/62/19/730536219.db2.gz QAWYCAIBTPWWKF-GOSISDBHSA-N 1 0 356.491 3.166 20 10 FGCDRO C[C@H](CSc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299626 730605763 /nfs/dbraw/zinc/60/57/63/730605763.db2.gz YMEINUFCWREFBO-DNVCBOLYSA-N 1 0 357.523 3.297 20 10 FGCDRO C[C@@H](CSc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299628 730605796 /nfs/dbraw/zinc/60/57/96/730605796.db2.gz YMEINUFCWREFBO-HNAYVOBHSA-N 1 0 357.523 3.297 20 10 FGCDRO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349897 730609398 /nfs/dbraw/zinc/60/93/98/730609398.db2.gz LWBXUENGUFUZCJ-CQSZACIVSA-N 1 0 357.885 3.256 20 10 FGCDRO CC(C)OC(=O)Cc1nc(CN2CCCc3cc(C[NH3+])ccc32)cs1 ZINC000843350283 730609560 /nfs/dbraw/zinc/60/95/60/730609560.db2.gz LRBHSIQJQZUVNK-UHFFFAOYSA-N 1 0 359.495 3.049 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000843406338 730616080 /nfs/dbraw/zinc/61/60/80/730616080.db2.gz HIAIMMUDOXQPQL-DZGCQCFKSA-N 1 0 350.459 3.136 20 10 FGCDRO CC[N@H+](CCNC(=O)NCc1cc(Cl)ccc1O)CCC(F)(F)F ZINC000845148533 730813522 /nfs/dbraw/zinc/81/35/22/730813522.db2.gz QUWGRVSVUVLURH-UHFFFAOYSA-N 1 0 367.799 3.119 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1cc(Br)ccc1O ZINC000846207779 730936497 /nfs/dbraw/zinc/93/64/97/730936497.db2.gz FHGSRPKQAZWMKK-SMDDNHRTSA-N 1 0 355.276 3.064 20 10 FGCDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848513882 731173857 /nfs/dbraw/zinc/17/38/57/731173857.db2.gz HWJMCIXNKQTNCQ-YPMHNXCESA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)ccn1 ZINC000848519099 731174093 /nfs/dbraw/zinc/17/40/93/731174093.db2.gz PFPBWINXCMEIME-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000848530310 731176373 /nfs/dbraw/zinc/17/63/73/731176373.db2.gz CYGQMNPHYIHAPU-AAEUAGOBSA-N 1 0 374.275 3.010 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000848548074 731179329 /nfs/dbraw/zinc/17/93/29/731179329.db2.gz ULLNFWSDQBXYFZ-PWSUYJOCSA-N 1 0 366.259 3.025 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1O ZINC000848557983 731181550 /nfs/dbraw/zinc/18/15/50/731181550.db2.gz MGRAFYFWGFKBMS-YIYPIFLZSA-N 1 0 371.319 3.303 20 10 FGCDRO COc1ccc(O)c(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)c1 ZINC000849083930 731227221 /nfs/dbraw/zinc/22/72/21/731227221.db2.gz PWDGSDJXPPFYHS-UHFFFAOYSA-N 1 0 355.316 3.436 20 10 FGCDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(Cl)ccc2O)cc1F ZINC000849352892 731251782 /nfs/dbraw/zinc/25/17/82/731251782.db2.gz RKLUENACWVVZQF-RDJZCZTQSA-N 1 0 364.848 3.429 20 10 FGCDRO COc1cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850165233 731327591 /nfs/dbraw/zinc/32/75/91/731327591.db2.gz GEANHLASUTVELV-UHFFFAOYSA-N 1 0 357.516 3.001 20 10 FGCDRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000850355769 731347726 /nfs/dbraw/zinc/34/77/26/731347726.db2.gz KBBABOZEYCCVCI-GOSISDBHSA-N 1 0 364.555 3.227 20 10 FGCDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000850553838 731372304 /nfs/dbraw/zinc/37/23/04/731372304.db2.gz DNOZLDQZYXQIPU-WCQYABFASA-N 1 0 357.292 3.298 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1O ZINC000850559035 731373180 /nfs/dbraw/zinc/37/31/80/731373180.db2.gz WDXZEUXEZOWQSV-NWDGAFQWSA-N 1 0 369.303 3.452 20 10 FGCDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(Cl)n1 ZINC000856772032 732057883 /nfs/dbraw/zinc/05/78/83/732057883.db2.gz NEOHGCDOCHVKOI-ZDUSSCGKSA-N 1 0 370.831 3.434 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000858102285 732180955 /nfs/dbraw/zinc/18/09/55/732180955.db2.gz DKJPUCLJFOXULD-UHFFFAOYSA-N 1 0 366.211 3.052 20 10 FGCDRO O=C(CC[NH2+]Cc1c(O)cccc1Br)N1CCCCCC1 ZINC000858117500 732182220 /nfs/dbraw/zinc/18/22/20/732182220.db2.gz QDLSTAYLNYPLIK-UHFFFAOYSA-N 1 0 355.276 3.037 20 10 FGCDRO OC[C@]1([NH2+]Cc2ccccc2O)CCc2cc(Br)ccc2C1 ZINC000858241080 732195846 /nfs/dbraw/zinc/19/58/46/732195846.db2.gz WTISWDUNTYZMBF-SFHVURJKSA-N 1 0 362.267 3.164 20 10 FGCDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(Br)cc(C)c2O)n1 ZINC000862432563 732834745 /nfs/dbraw/zinc/83/47/45/732834745.db2.gz IMDNBZCVYVRRCC-UHFFFAOYSA-N 1 0 366.259 3.292 20 10 FGCDRO CCC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000862535946 732845344 /nfs/dbraw/zinc/84/53/44/732845344.db2.gz AJKAMBBKGCBYBJ-UHFFFAOYSA-N 1 0 352.906 3.431 20 10 FGCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2c1 ZINC000872687667 735661348 /nfs/dbraw/zinc/66/13/48/735661348.db2.gz PHUSOGRIQNBNFA-BLLLJJGKSA-N 1 0 355.356 3.157 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1C ZINC000873009751 735709183 /nfs/dbraw/zinc/70/91/83/735709183.db2.gz UPTJHJFYGBQJJC-UHFFFAOYSA-N 1 0 362.495 3.445 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc(C(F)(F)F)c2)cc1 ZINC000876506925 736108736 /nfs/dbraw/zinc/10/87/36/736108736.db2.gz QQHBTHUBSDYMSN-ZDUSSCGKSA-N 1 0 357.401 3.263 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(C(F)F)c2F)cc1 ZINC000876507050 736108841 /nfs/dbraw/zinc/10/88/41/736108841.db2.gz UPJIINPICJVDCF-HNNXBMFYSA-N 1 0 351.372 3.259 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]CCCSc3nccs3)cc2)CC1 ZINC000877061476 736182426 /nfs/dbraw/zinc/18/24/26/736182426.db2.gz IWABKLOEMPHJTK-UHFFFAOYSA-N 1 0 363.552 3.376 20 10 FGCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637543 736697424 /nfs/dbraw/zinc/69/74/24/736697424.db2.gz VLFCQSZPXXHPJX-IVCQMTBJSA-N 1 0 368.458 3.460 20 10 FGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1cc(Br)no1 ZINC000878565885 736888770 /nfs/dbraw/zinc/88/87/70/736888770.db2.gz VHVSDDYSBSJYTR-AWEZNQCLSA-N 1 0 369.259 3.478 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNCc3c(Cl)cncc3Cl)cc2)CC1 ZINC000883282703 737547112 /nfs/dbraw/zinc/54/71/12/737547112.db2.gz BATVIZXSBSFMRV-UHFFFAOYSA-N 1 0 365.308 3.430 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000886670582 739280929 /nfs/dbraw/zinc/28/09/29/739280929.db2.gz ROSQHKHCXQUTCE-NFAWXSAZSA-N 1 0 358.276 3.125 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000892668865 740029726 /nfs/dbraw/zinc/02/97/26/740029726.db2.gz SKTUVFMSSQPRHF-UHFFFAOYSA-N 1 0 361.829 3.375 20 10 FGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(Br)cnc2OC)c1O ZINC000895392791 742406319 /nfs/dbraw/zinc/40/63/19/742406319.db2.gz CJQQTVUJDOSWKC-UHFFFAOYSA-N 1 0 367.243 3.165 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1O ZINC000897969051 742729599 /nfs/dbraw/zinc/72/95/99/742729599.db2.gz CNIDUFFUZZLZSV-NSHDSACASA-N 1 0 351.244 3.279 20 10 FGCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898722948 742826341 /nfs/dbraw/zinc/82/63/41/742826341.db2.gz AHDMHXJUMLGCQX-NSHDSACASA-N 1 0 356.651 3.109 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000903153525 743813746 /nfs/dbraw/zinc/81/37/46/743813746.db2.gz GFFQHKSGSITACE-CLTVBZQCSA-N 1 0 355.475 3.273 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c(O)c1 ZINC000903423731 743848037 /nfs/dbraw/zinc/84/80/37/743848037.db2.gz GBRZYSIVCUJQNC-HNNXBMFYSA-N 1 0 362.495 3.256 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1O ZINC000903481349 743855896 /nfs/dbraw/zinc/85/58/96/743855896.db2.gz ZJNKLGQLKGLDNR-KOLCDFICSA-N 1 0 354.223 3.156 20 10 FGCDRO C[NH+]1CCC2(CCCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)CC1 ZINC000907959533 744251565 /nfs/dbraw/zinc/25/15/65/744251565.db2.gz JUBQORNEIFGLPL-UHFFFAOYSA-N 1 0 360.479 3.261 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1ccc(Br)cc1O ZINC000927105578 759892316 /nfs/dbraw/zinc/89/23/16/759892316.db2.gz UCCKSOIXBDQRFX-SWLSCSKDSA-N 1 0 369.303 3.059 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(C(F)(F)F)cc1O ZINC000927148331 759907306 /nfs/dbraw/zinc/90/73/06/759907306.db2.gz WMKYHTHDBZJYDX-AAEUAGOBSA-N 1 0 354.376 3.138 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCOCC3)c1O ZINC000927156033 759909329 /nfs/dbraw/zinc/90/93/29/759909329.db2.gz LYERLLDCUIJBSX-CQDKDKBSSA-N 1 0 370.287 3.044 20 10 FGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929186082 760335357 /nfs/dbraw/zinc/33/53/57/760335357.db2.gz XAEDJXZKAGTWCV-IRXDYDNUSA-N 1 0 358.404 3.065 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000089512655 494319204 /nfs/dbraw/zinc/31/92/04/494319204.db2.gz WRNWVEOSIXGWFA-AWEZNQCLSA-N 1 0 359.401 3.421 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000090779664 494496886 /nfs/dbraw/zinc/49/68/86/494496886.db2.gz BHVKWJODVUAFFL-HTAPYJJXSA-N 1 0 352.478 3.008 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000115824891 494632374 /nfs/dbraw/zinc/63/23/74/494632374.db2.gz AXCBCPMBNODCHV-HXUWFJFHSA-N 1 0 372.557 3.406 20 10 FGCDRO Cc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(C)n1 ZINC000091675348 494642509 /nfs/dbraw/zinc/64/25/09/494642509.db2.gz JEGPTCHQQOTTNK-UHFFFAOYSA-N 1 0 351.498 3.238 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1O ZINC000091687506 494646311 /nfs/dbraw/zinc/64/63/11/494646311.db2.gz AYBWCNASPSLVCB-UHFFFAOYSA-N 1 0 369.465 3.345 20 10 FGCDRO CC[N@H+](Cc1cnc2cnccn12)Cc1cc(Br)ccc1O ZINC000093866942 494928623 /nfs/dbraw/zinc/92/86/23/494928623.db2.gz NSMNWROGTOAAKV-UHFFFAOYSA-N 1 0 361.243 3.220 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3ccnc(C4CC4)n3)cc2F)CC1 ZINC000110586742 494992503 /nfs/dbraw/zinc/99/25/03/494992503.db2.gz JTFQIWZJPHYCRS-UHFFFAOYSA-N 1 0 355.461 3.247 20 10 FGCDRO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1F ZINC000111235660 495053351 /nfs/dbraw/zinc/05/33/51/495053351.db2.gz WIVWWBWFJVHLCJ-AWEZNQCLSA-N 1 0 360.429 3.019 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1O ZINC000121035916 495508754 /nfs/dbraw/zinc/50/87/54/495508754.db2.gz DTZXOQLCVYTKES-UHFFFAOYSA-N 1 0 360.498 3.406 20 10 FGCDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000179530481 495630151 /nfs/dbraw/zinc/63/01/51/495630151.db2.gz FMQNVUUUGASQBS-UHFFFAOYSA-N 1 0 365.477 3.040 20 10 FGCDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000159028673 495640581 /nfs/dbraw/zinc/64/05/81/495640581.db2.gz UDXDPTIKCDUYLY-KRWDZBQOSA-N 1 0 355.482 3.174 20 10 FGCDRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)ncn1 ZINC000159047302 495644879 /nfs/dbraw/zinc/64/48/79/495644879.db2.gz KCSYPKQHYJCTKA-MRXNPFEDSA-N 1 0 353.514 3.425 20 10 FGCDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000186376732 495972119 /nfs/dbraw/zinc/97/21/19/495972119.db2.gz XUDPHZGFICMKDG-CYBMUJFWSA-N 1 0 374.934 3.146 20 10 FGCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)cc(OC)c1O)n2C ZINC000186555348 496042815 /nfs/dbraw/zinc/04/28/15/496042815.db2.gz SDTJDFGRMPWZTM-UHFFFAOYSA-N 1 0 361.829 3.239 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1O ZINC000186592602 496062393 /nfs/dbraw/zinc/06/23/93/496062393.db2.gz LCBCJJFQJLDWKG-UHFFFAOYSA-N 1 0 359.441 3.500 20 10 FGCDRO COc1cccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1O ZINC000184173260 496270856 /nfs/dbraw/zinc/27/08/56/496270856.db2.gz OIUOKODBJATXPU-UHFFFAOYSA-N 1 0 357.385 3.312 20 10 FGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000187156897 496317533 /nfs/dbraw/zinc/31/75/33/496317533.db2.gz XOPCEEBQOFKOJJ-QGZVFWFLSA-N 1 0 354.450 3.082 20 10 FGCDRO COC(C)(C)CN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000569064780 505842629 /nfs/dbraw/zinc/84/26/29/505842629.db2.gz KANUJPQVAWNIEE-UHFFFAOYSA-N 1 0 371.525 3.291 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cncs3)CC2)cc1 ZINC000162803340 496415605 /nfs/dbraw/zinc/41/56/05/496415605.db2.gz SZYRKBIQVAHPTO-MRXNPFEDSA-N 1 0 360.527 3.015 20 10 FGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000181562618 496448093 /nfs/dbraw/zinc/44/80/93/496448093.db2.gz FSYFYOYPLMSONB-DBVUQKKJSA-N 1 0 362.489 3.080 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1O ZINC000184711441 496503284 /nfs/dbraw/zinc/50/32/84/496503284.db2.gz MSFDXKQPANAQQQ-UHFFFAOYSA-N 1 0 368.905 3.179 20 10 FGCDRO C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187798581 496575807 /nfs/dbraw/zinc/57/58/07/496575807.db2.gz OOGWCWZAYQQBQT-DQYPLSBCSA-N 1 0 354.441 3.089 20 10 FGCDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000184982919 496610919 /nfs/dbraw/zinc/61/09/19/496610919.db2.gz FWVIBZSJUIYYFM-GFCCVEGCSA-N 1 0 369.303 3.452 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185023641 496627104 /nfs/dbraw/zinc/62/71/04/496627104.db2.gz JNSDPVXRCVZQRB-OAHLLOKOSA-N 1 0 352.482 3.381 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1O ZINC000185063569 496643335 /nfs/dbraw/zinc/64/33/35/496643335.db2.gz CYCXRZIFHVIILK-ZDUSSCGKSA-N 1 0 362.857 3.363 20 10 FGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165028171 496645356 /nfs/dbraw/zinc/64/53/56/496645356.db2.gz NXODSEQNTRGOPQ-INIZCTEOSA-N 1 0 371.456 3.342 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000179052785 496658932 /nfs/dbraw/zinc/65/89/32/496658932.db2.gz ZZZHPCQFUONCPV-SFHVURJKSA-N 1 0 368.477 3.319 20 10 FGCDRO CCOc1cccc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c1O ZINC000154055274 496669739 /nfs/dbraw/zinc/66/97/39/496669739.db2.gz YEMLKPRGYHKTDJ-UHFFFAOYSA-N 1 0 352.438 3.397 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Cl)ccc1O ZINC000273383084 496790107 /nfs/dbraw/zinc/79/01/07/496790107.db2.gz CGRODFXKTIDOSJ-DYVFJYSZSA-N 1 0 359.857 3.282 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1C ZINC000273464303 496814097 /nfs/dbraw/zinc/81/40/97/496814097.db2.gz QWIUCTMICSIMAS-LPHOPBHVSA-N 1 0 353.466 3.246 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000273591932 496848220 /nfs/dbraw/zinc/84/82/20/496848220.db2.gz PNCUFEDXIILKSY-RKVPGOIHSA-N 1 0 365.474 3.088 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000270277374 497092052 /nfs/dbraw/zinc/09/20/52/497092052.db2.gz YWBDQJPBPAYTGM-QFIPXVFZSA-N 1 0 364.493 3.270 20 10 FGCDRO Cc1ccc(F)c(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000265346229 497104605 /nfs/dbraw/zinc/10/46/05/497104605.db2.gz DDONYRXELNSZIQ-GDNBJRDFSA-N 1 0 350.484 3.430 20 10 FGCDRO CC[NH+](CC)CCOc1cc(NC(=O)Cc2ccc(N)cc2)ccc1OC ZINC000236877531 497162028 /nfs/dbraw/zinc/16/20/28/497162028.db2.gz WCDRARORKWJZTK-UHFFFAOYSA-N 1 0 371.481 3.179 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c(O)c1 ZINC000274963254 497206336 /nfs/dbraw/zinc/20/63/36/497206336.db2.gz UUAHKXGHBCZYHM-UHFFFAOYSA-N 1 0 370.497 3.488 20 10 FGCDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278895001 497259069 /nfs/dbraw/zinc/25/90/69/497259069.db2.gz YVQPYOIXZZFCJX-OLZOCXBDSA-N 1 0 360.329 3.376 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000279570020 497475184 /nfs/dbraw/zinc/47/51/84/497475184.db2.gz SSIRACLFZMUJTI-CHWSQXEVSA-N 1 0 353.426 3.301 20 10 FGCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272301848 497591404 /nfs/dbraw/zinc/59/14/04/497591404.db2.gz IWPXJAUSEUEFGH-LPHOPBHVSA-N 1 0 353.466 3.102 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000272463686 497635903 /nfs/dbraw/zinc/63/59/03/497635903.db2.gz HNAGLGZVRXBBIH-HXUWFJFHSA-N 1 0 374.525 3.107 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1O ZINC000280126052 497657468 /nfs/dbraw/zinc/65/74/68/497657468.db2.gz OPHANKUHJCSJDM-KDOFPFPSSA-N 1 0 362.495 3.411 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCCCC(=O)OCc2ccccc2)cc1OC ZINC000272760030 497723444 /nfs/dbraw/zinc/72/34/44/497723444.db2.gz PWUHWAZZURSKJQ-UHFFFAOYSA-N 1 0 373.449 3.413 20 10 FGCDRO O=C(NCCCCC[NH+]1CCCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000296336774 498004285 /nfs/dbraw/zinc/00/42/85/498004285.db2.gz HVSFRMWTXNUUIA-UHFFFAOYSA-N 1 0 356.514 3.128 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000281267283 498081270 /nfs/dbraw/zinc/08/12/70/498081270.db2.gz WUGMPPMGQDYTPI-WCQYABFASA-N 1 0 355.276 3.064 20 10 FGCDRO CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000289440399 498146673 /nfs/dbraw/zinc/14/66/73/498146673.db2.gz LVAVARAZHZLSMU-UHFFFAOYSA-N 1 0 372.340 3.158 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c(O)c1 ZINC000292799956 498151735 /nfs/dbraw/zinc/15/17/35/498151735.db2.gz NKEZGQGNMBCLOZ-UHFFFAOYSA-N 1 0 356.470 3.169 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289537473 498185730 /nfs/dbraw/zinc/18/57/30/498185730.db2.gz HWFHLDWBBQUBLP-ZDUSSCGKSA-N 1 0 368.193 3.434 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000296887823 498238572 /nfs/dbraw/zinc/23/85/72/498238572.db2.gz QFIRFRIQZWGMKU-HXUWFJFHSA-N 1 0 355.507 3.097 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282550472 498555016 /nfs/dbraw/zinc/55/50/16/498555016.db2.gz XDIHYMUQKNPVOB-GDBMZVCRSA-N 1 0 355.438 3.358 20 10 FGCDRO Clc1cncnc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000302786929 498574325 /nfs/dbraw/zinc/57/43/25/498574325.db2.gz WKXWPBNJQYVRAX-UHFFFAOYSA-N 1 0 357.889 3.274 20 10 FGCDRO CS(=O)(=O)C1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000294106697 498591559 /nfs/dbraw/zinc/59/15/59/498591559.db2.gz JRZLSLQAGCXNFC-SFHVURJKSA-N 1 0 359.491 3.233 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1F ZINC000282920278 498709948 /nfs/dbraw/zinc/70/99/48/498709948.db2.gz HGWFPCWMGFVTED-QGZVFWFLSA-N 1 0 356.445 3.288 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)cc1OC ZINC000283079967 498771793 /nfs/dbraw/zinc/77/17/93/498771793.db2.gz RDDUOAXQRPXPMU-MRXNPFEDSA-N 1 0 364.873 3.455 20 10 FGCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287661710 498830070 /nfs/dbraw/zinc/83/00/70/498830070.db2.gz RRDWZVQZSQQOED-XLIONFOSSA-N 1 0 356.514 3.055 20 10 FGCDRO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000366277971 498854721 /nfs/dbraw/zinc/85/47/21/498854721.db2.gz DAJDKIZRFXXZKE-HXUWFJFHSA-N 1 0 354.498 3.346 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)n1-c1ccccn1 ZINC000366636318 499012633 /nfs/dbraw/zinc/01/26/33/499012633.db2.gz ZHAZNSRHKXUXLM-PKOBYXMFSA-N 1 0 352.482 3.093 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1O ZINC000363851445 499025092 /nfs/dbraw/zinc/02/50/92/499025092.db2.gz IJMSEFZDGLLBOD-DOMZBBRYSA-N 1 0 360.433 3.107 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cn[nH]c1 ZINC000284076702 499043829 /nfs/dbraw/zinc/04/38/29/499043829.db2.gz LPRMJYHLOBEUGR-LBPRGKRZSA-N 1 0 354.376 3.116 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1O ZINC000367068207 499143192 /nfs/dbraw/zinc/14/31/92/499143192.db2.gz PXTZTGHJAOLRSJ-JMPLFQLZSA-N 1 0 367.287 3.171 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000372597135 499151351 /nfs/dbraw/zinc/15/13/51/499151351.db2.gz XGAJVIUFCCDRBM-KBXCAEBGSA-N 1 0 358.482 3.185 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)cc1 ZINC000367471026 499202977 /nfs/dbraw/zinc/20/29/77/499202977.db2.gz NKVGZBWXICEMMP-LEWJYISDSA-N 1 0 353.466 3.179 20 10 FGCDRO CCOc1cccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1O ZINC000370405624 499217021 /nfs/dbraw/zinc/21/70/21/499217021.db2.gz KZGIFEHJCZKVJM-PXNSSMCTSA-N 1 0 355.482 3.311 20 10 FGCDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000368036063 499258335 /nfs/dbraw/zinc/25/83/35/499258335.db2.gz QHTXHOSZOFREJV-CYBMUJFWSA-N 1 0 362.861 3.415 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1O ZINC000371325205 499310281 /nfs/dbraw/zinc/31/02/81/499310281.db2.gz CJWCUUNURQNINL-UHFFFAOYSA-N 1 0 372.513 3.276 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N[C@H]3CCc4nc[nH]c4C3)cc2)CC1 ZINC000368628397 499315453 /nfs/dbraw/zinc/31/54/53/499315453.db2.gz NIMNPSMLPVHRMQ-KRWDZBQOSA-N 1 0 367.497 3.003 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1O ZINC000368654959 499318022 /nfs/dbraw/zinc/31/80/22/499318022.db2.gz FIRZWXVSDKXIKM-MRXNPFEDSA-N 1 0 366.465 3.288 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000371416446 499323464 /nfs/dbraw/zinc/32/34/64/499323464.db2.gz MFUPVNIAJRBREV-UHFFFAOYSA-N 1 0 360.479 3.247 20 10 FGCDRO COc1cccc(C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1O ZINC000371423381 499324980 /nfs/dbraw/zinc/32/49/80/499324980.db2.gz YXLKVKFMEZXXDV-IBGZPJMESA-N 1 0 352.434 3.349 20 10 FGCDRO COc1ccc(O)c([C@@H](C)N[C@@H](c2nnc(C)n2C)c2ccccc2)c1 ZINC000371876639 499374335 /nfs/dbraw/zinc/37/43/35/499374335.db2.gz OAEUITTYCXQZPT-BFUOFWGJSA-N 1 0 352.438 3.278 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCc3cnn(CCOC)c32)ccc1OC ZINC000371952243 499383708 /nfs/dbraw/zinc/38/37/08/499383708.db2.gz DMOLUBLEHQJUMA-LJQANCHMSA-N 1 0 373.497 3.242 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@H](CCO)c3ccccc3)CC2)cc1 ZINC000372045098 499392732 /nfs/dbraw/zinc/39/27/32/499392732.db2.gz AQGMKMYUAVJEDK-IBGZPJMESA-N 1 0 354.494 3.420 20 10 FGCDRO COCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCCc2cccnc21 ZINC000372236063 499411836 /nfs/dbraw/zinc/41/18/36/499411836.db2.gz KYJICRRUGZEEPJ-KRWDZBQOSA-N 1 0 372.465 3.330 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000373036877 499448431 /nfs/dbraw/zinc/44/84/31/499448431.db2.gz NOJVJXSARZIMOD-CQSZACIVSA-N 1 0 357.292 3.079 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000373600493 499479132 /nfs/dbraw/zinc/47/91/32/499479132.db2.gz DBDHMHJXZQJQHH-GOSISDBHSA-N 1 0 360.479 3.273 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000373602203 499479290 /nfs/dbraw/zinc/47/92/90/499479290.db2.gz RVTTXLFGXWZWFV-LBPRGKRZSA-N 1 0 361.467 3.269 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418098980 500228680 /nfs/dbraw/zinc/22/86/80/500228680.db2.gz MSAJZKPUBFTDQI-DLBZAZTESA-N 1 0 354.498 3.018 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccccn2)C1 ZINC000435542551 500990055 /nfs/dbraw/zinc/99/00/55/500990055.db2.gz FDOSHAULMXZMSX-UHFFFAOYSA-N 1 0 362.477 3.466 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]2C2CC2)C1 ZINC000452484047 501510598 /nfs/dbraw/zinc/51/05/98/501510598.db2.gz CIALTTAULOZNKE-LJQANCHMSA-N 1 0 351.494 3.419 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCSC2)C1 ZINC000468464805 502067515 /nfs/dbraw/zinc/06/75/15/502067515.db2.gz CVHADVUQGBMLJI-INIZCTEOSA-N 1 0 371.550 3.277 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000471736821 502123729 /nfs/dbraw/zinc/12/37/29/502123729.db2.gz MTZSZJWGNOLZIQ-UHFFFAOYSA-N 1 0 364.493 3.418 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)ccc21 ZINC000489312683 502926199 /nfs/dbraw/zinc/92/61/99/502926199.db2.gz GYOASNZNRCRCQD-OAQYLSRUSA-N 1 0 371.525 3.317 20 10 FGCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)c1O ZINC000527586522 503843723 /nfs/dbraw/zinc/84/37/23/503843723.db2.gz GZNMUKDLOARRGZ-UHFFFAOYSA-N 1 0 358.438 3.005 20 10 FGCDRO CCOCc1cc(C[NH2+][C@]2(COC)COc3ccccc3C2)ccc1OC ZINC000527797573 503949128 /nfs/dbraw/zinc/94/91/28/503949128.db2.gz DTBPXGBVJWIJMP-JOCHJYFZSA-N 1 0 371.477 3.342 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cn[nH]c2)C1 ZINC000564283530 505371267 /nfs/dbraw/zinc/37/12/67/505371267.db2.gz RALUSPXICRDPPX-HNNXBMFYSA-N 1 0 365.481 3.008 20 10 FGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826263984 608488743 /nfs/dbraw/zinc/48/87/43/608488743.db2.gz YEJLHASZWLJIHK-UHFFFAOYSA-N 1 0 361.449 3.478 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591799 700405582 /nfs/dbraw/zinc/40/55/82/700405582.db2.gz OYYRUFOCRRIZGE-HOTGVXAUSA-N 1 0 357.420 3.347 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)Cc2c(C)noc2C)c1O ZINC000091812505 700426148 /nfs/dbraw/zinc/42/61/48/700426148.db2.gz IZIBOXVQGYIPHR-UHFFFAOYSA-N 1 0 355.232 3.400 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000092043143 700431083 /nfs/dbraw/zinc/43/10/83/700431083.db2.gz OUBCFVIAVJJPRO-DOMZBBRYSA-N 1 0 369.303 3.079 20 10 FGCDRO CCC1(CO)CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093591586 700452457 /nfs/dbraw/zinc/45/24/57/700452457.db2.gz RZVCBUYSOVRYFD-UHFFFAOYSA-N 1 0 358.276 3.148 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c1 ZINC000093771180 700454094 /nfs/dbraw/zinc/45/40/94/700454094.db2.gz PKGLTKOYGFQHMW-CQSZACIVSA-N 1 0 360.420 3.497 20 10 FGCDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3cc(Cl)ccc3O)cc21 ZINC000124671643 700723165 /nfs/dbraw/zinc/72/31/65/700723165.db2.gz IWWGVCWMVCDNKQ-UHFFFAOYSA-N 1 0 361.829 3.127 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000128449951 700775265 /nfs/dbraw/zinc/77/52/65/700775265.db2.gz ZWRPHXAYNCLZSP-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO Oc1ccc(Br)cc1CN1CCN(c2ccccc2O)CC1 ZINC000158516826 705188909 /nfs/dbraw/zinc/18/89/09/705188909.db2.gz TZIKEOAQYVMEOI-UHFFFAOYSA-N 1 0 363.255 3.183 20 10 FGCDRO COCCOC1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000164339749 705328246 /nfs/dbraw/zinc/32/82/46/705328246.db2.gz NBQWIXPXDJHFLL-UHFFFAOYSA-N 1 0 351.487 3.326 20 10 FGCDRO Cc1noc(C)c1/C=C1\SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000170738329 705359889 /nfs/dbraw/zinc/35/98/89/705359889.db2.gz BZULMUZZUAHORP-QPEQYQDCSA-N 1 0 353.513 3.080 20 10 FGCDRO OCC[N@H+](Cc1ccccc1O)Cc1cc(Br)ccc1F ZINC000179566487 705705578 /nfs/dbraw/zinc/70/55/78/705705578.db2.gz IEARUYFKBTUJEW-UHFFFAOYSA-N 1 0 354.219 3.288 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000224492418 713571602 /nfs/dbraw/zinc/57/16/02/713571602.db2.gz BNHFKMDTHIIPPE-XJKSGUPXSA-N 1 0 353.304 3.379 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCc1ccccc1OC(F)(F)F)OCO2 ZINC000238128532 713600884 /nfs/dbraw/zinc/60/08/84/713600884.db2.gz ULGVSSSSIPYTLJ-UHFFFAOYSA-N 1 0 355.312 3.352 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245720466 713610637 /nfs/dbraw/zinc/61/06/37/713610637.db2.gz HVYQCXOOSUUVAN-WOJBJXKFSA-N 1 0 364.555 3.465 20 10 FGCDRO C[C@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1CCC[C@H](C)C1 ZINC000247644207 713642536 /nfs/dbraw/zinc/64/25/36/713642536.db2.gz ORSZMKXGFWSNLK-UONOGXRCSA-N 1 0 356.561 3.045 20 10 FGCDRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000314682983 713805509 /nfs/dbraw/zinc/80/55/09/713805509.db2.gz ARDMIIIKZDADQC-ZDUSSCGKSA-N 1 0 351.292 3.453 20 10 FGCDRO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cc(Br)ccc1O ZINC000381814549 713979149 /nfs/dbraw/zinc/97/91/49/713979149.db2.gz FTZWCKVNRCRTAT-PLNGDYQASA-N 1 0 371.275 3.325 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000779060083 724385741 /nfs/dbraw/zinc/38/57/41/724385741.db2.gz CWHNGADHQAQQDV-YPMHNXCESA-N 1 0 350.260 3.325 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1F ZINC000769527796 723689094 /nfs/dbraw/zinc/68/90/94/723689094.db2.gz SCQLPUOBHUBGOT-SFHVURJKSA-N 1 0 350.478 3.442 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715147049 722415737 /nfs/dbraw/zinc/41/57/37/722415737.db2.gz SPLWEDJJBKCVFD-YEORSEQZSA-N 1 0 370.877 3.447 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000725849754 722424876 /nfs/dbraw/zinc/42/48/76/722424876.db2.gz WXDLPPSFHNMDSN-NSHDSACASA-N 1 0 354.859 3.268 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1F ZINC000727469114 722444902 /nfs/dbraw/zinc/44/49/02/722444902.db2.gz QFKDHPZOIADYDY-HNNXBMFYSA-N 1 0 351.466 3.381 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccncc2)c1O ZINC000749295382 722723479 /nfs/dbraw/zinc/72/34/79/722723479.db2.gz MCEKPEQQMHHVGR-LLVKDONJSA-N 1 0 351.244 3.279 20 10 FGCDRO Cc1nn(C)c(Cl)c1CN(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000752860426 722874988 /nfs/dbraw/zinc/87/49/88/722874988.db2.gz QKECEIMIWCDYPN-UHFFFAOYSA-N 1 0 362.905 3.493 20 10 FGCDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753572205 722905143 /nfs/dbraw/zinc/90/51/43/722905143.db2.gz VETMTIHZKIGZOH-HNNXBMFYSA-N 1 0 355.356 3.374 20 10 FGCDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000753646551 722908007 /nfs/dbraw/zinc/90/80/07/722908007.db2.gz ZWPSFGMFUVRWCG-INIZCTEOSA-N 1 0 363.527 3.242 20 10 FGCDRO Cc1nc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)sc1C ZINC000753972629 722921136 /nfs/dbraw/zinc/92/11/36/722921136.db2.gz MJCNKCVIFNXBMU-UHFFFAOYSA-N 1 0 354.479 3.336 20 10 FGCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCC1 ZINC000754105928 722927727 /nfs/dbraw/zinc/92/77/27/722927727.db2.gz QMJJEPDIEWUZBU-NSHDSACASA-N 1 0 355.276 3.112 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000756122418 722961090 /nfs/dbraw/zinc/96/10/90/722961090.db2.gz QHKWDYFWKKTHCD-NSHDSACASA-N 1 0 373.291 3.466 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1cc(F)ccc1O ZINC000756344937 722963118 /nfs/dbraw/zinc/96/31/18/722963118.db2.gz VAXSCTFDLGDIQJ-YOEHRIQHSA-N 1 0 363.502 3.232 20 10 FGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(Br)cc1O ZINC000756478998 722965340 /nfs/dbraw/zinc/96/53/40/722965340.db2.gz KVDOLUJXEOGUAO-NSHDSACASA-N 1 0 364.243 3.229 20 10 FGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000756529314 722966228 /nfs/dbraw/zinc/96/62/28/722966228.db2.gz SEECBYZAUMUMJM-CMPLNLGQSA-N 1 0 357.248 3.036 20 10 FGCDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1 ZINC000759387142 723003765 /nfs/dbraw/zinc/00/37/65/723003765.db2.gz OBBAOCGRIJOQHA-WKTRQSJXSA-N 1 0 357.841 3.104 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCCCSc1nccs1)C1CCCCC1 ZINC000759552388 723008458 /nfs/dbraw/zinc/00/84/58/723008458.db2.gz ZMHIMSLZHHQFGW-OAHLLOKOSA-N 1 0 370.588 3.435 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCOCC3(CCC3)C2)c1O ZINC000761227087 723134698 /nfs/dbraw/zinc/13/46/98/723134698.db2.gz XOCRSXDICBTANH-UHFFFAOYSA-N 1 0 356.260 3.166 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000790965553 723200042 /nfs/dbraw/zinc/20/00/42/723200042.db2.gz PCFQTOHGVVVLCU-KRWDZBQOSA-N 1 0 361.873 3.203 20 10 FGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000792920473 723382697 /nfs/dbraw/zinc/38/26/97/723382697.db2.gz XKILCJYLZREESD-CYGHRXIMSA-N 1 0 350.478 3.487 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](CCO)Cc2ccc(C)o2)c1O ZINC000793366410 723431385 /nfs/dbraw/zinc/43/13/85/723431385.db2.gz SEUDZWUSFGSMLS-UHFFFAOYSA-N 1 0 370.243 3.059 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCOCC1 ZINC000765128947 723482970 /nfs/dbraw/zinc/48/29/70/723482970.db2.gz YVZCLRFBKPCVFI-OAGGEKHMSA-N 1 0 350.478 3.344 20 10 FGCDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765425316 723512355 /nfs/dbraw/zinc/51/23/55/723512355.db2.gz OTDMNUDUZPKVJI-OLZOCXBDSA-N 1 0 364.383 3.280 20 10 FGCDRO CCCCCC[N@H+](C)CC(=O)NCc1cccc(Br)c1O ZINC000765733227 723536362 /nfs/dbraw/zinc/53/63/62/723536362.db2.gz VRORZEGLVLULJZ-UHFFFAOYSA-N 1 0 357.292 3.283 20 10 FGCDRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978140 723549480 /nfs/dbraw/zinc/54/94/80/723549480.db2.gz LTQCVFHXZIONEU-QFBILLFUSA-N 1 0 352.544 3.226 20 10 FGCDRO C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274088 723565681 /nfs/dbraw/zinc/56/56/81/723565681.db2.gz SUMGHDTXSSNMHK-HZPDHXFCSA-N 1 0 351.922 3.312 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CSc3ccccc3)C1)[C@H](O)CO2 ZINC000768466140 723658493 /nfs/dbraw/zinc/65/84/93/723658493.db2.gz MUAIUAUUJIUPJH-AUUYWEPGSA-N 1 0 357.475 3.432 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463441 723658501 /nfs/dbraw/zinc/65/85/01/723658501.db2.gz TYDTZWGOYAXAPN-DYVFJYSZSA-N 1 0 361.825 3.125 20 10 FGCDRO Cc1ccncc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771064705 723727051 /nfs/dbraw/zinc/72/70/51/723727051.db2.gz KNQQJIMFWBAIAJ-MRXNPFEDSA-N 1 0 359.857 3.143 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(N(C)C)cc1 ZINC000773038673 723774990 /nfs/dbraw/zinc/77/49/90/723774990.db2.gz BDOYUKMWOFHSKE-LJQANCHMSA-N 1 0 358.507 3.323 20 10 FGCDRO COc1c(O)c(C[N@H+](C)CCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774820537 723933126 /nfs/dbraw/zinc/93/31/26/723933126.db2.gz AHFAAYVLMGCXLX-UHFFFAOYSA-N 1 0 366.801 3.473 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1O ZINC000775167632 723967437 /nfs/dbraw/zinc/96/74/37/723967437.db2.gz KEFSBZWPFADREM-HNNXBMFYSA-N 1 0 354.219 3.425 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cc(Cl)ccc1O ZINC000775492241 723995670 /nfs/dbraw/zinc/99/56/70/723995670.db2.gz NUPDNTUFBWXPQG-MRXNPFEDSA-N 1 0 368.886 3.195 20 10 FGCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775491248 723995744 /nfs/dbraw/zinc/99/57/44/723995744.db2.gz DNGPOZAMFNFWMD-MRXNPFEDSA-N 1 0 374.934 3.291 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Br)ccc1O ZINC000775526857 723998181 /nfs/dbraw/zinc/99/81/81/723998181.db2.gz MFENRBVFANXISW-MMMKDXCPSA-N 1 0 367.287 3.205 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1cc(Cl)ccc1O ZINC000775539001 723998674 /nfs/dbraw/zinc/99/86/74/723998674.db2.gz BPRGGMVMZCDPBT-HOTGVXAUSA-N 1 0 356.894 3.264 20 10 FGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000775555071 723999824 /nfs/dbraw/zinc/99/98/24/723999824.db2.gz IEENIDWIPHEFJA-OFQRWUPVSA-N 1 0 358.276 3.389 20 10 FGCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800492680 724202521 /nfs/dbraw/zinc/20/25/21/724202521.db2.gz DYQYVDQEFCBBPD-GJZGRUSLSA-N 1 0 372.962 3.489 20 10 FGCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800493661 724202919 /nfs/dbraw/zinc/20/29/19/724202919.db2.gz PFYGRTIFXHGFHM-UONOGXRCSA-N 1 0 358.935 3.099 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c(O)c1C ZINC000800504994 724204697 /nfs/dbraw/zinc/20/46/97/724204697.db2.gz RDURYFVYLMXQHL-QGZVFWFLSA-N 1 0 361.507 3.317 20 10 FGCDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789593587 725138046 /nfs/dbraw/zinc/13/80/46/725138046.db2.gz SROCBHWBIDYPBR-FQEVSTJZSA-N 1 0 350.478 3.035 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1C ZINC000806674853 725140487 /nfs/dbraw/zinc/14/04/87/725140487.db2.gz RKIFCARMPIJKIZ-GOSISDBHSA-N 1 0 359.539 3.143 20 10 FGCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808682241 725213204 /nfs/dbraw/zinc/21/32/04/725213204.db2.gz PGSGLHFHVCUYKN-CYBMUJFWSA-N 1 0 362.857 3.330 20 10 FGCDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000809779355 725268016 /nfs/dbraw/zinc/26/80/16/725268016.db2.gz KQXFBIAFTJGSJN-CQSZACIVSA-N 1 0 371.275 3.174 20 10 FGCDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810211477 725296994 /nfs/dbraw/zinc/29/69/94/725296994.db2.gz CMURNOWOTALRDN-JTQLQIEISA-N 1 0 358.282 3.130 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)c(O)c1 ZINC000811499354 725369667 /nfs/dbraw/zinc/36/96/67/725369667.db2.gz MUNJWTPOOKKAKS-UHFFFAOYSA-N 1 0 362.227 3.101 20 10 FGCDRO CSc1ccc([C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N(C)C)cc1 ZINC000815166915 727047560 /nfs/dbraw/zinc/04/75/60/727047560.db2.gz XSGPVGQSPBVDIO-INIZCTEOSA-N 1 0 360.479 3.235 20 10 FGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000815596850 727085460 /nfs/dbraw/zinc/08/54/60/727085460.db2.gz GHDANNXBUSXKDU-AWEZNQCLSA-N 1 0 368.524 3.008 20 10 FGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000815633025 727087686 /nfs/dbraw/zinc/08/76/86/727087686.db2.gz DNNAZELCJNEHFS-RYUDHWBXSA-N 1 0 357.292 3.358 20 10 FGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000817575926 727266803 /nfs/dbraw/zinc/26/68/03/727266803.db2.gz LKPXJWRWMHXXMD-INIZCTEOSA-N 1 0 350.478 3.490 20 10 FGCDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1=O ZINC000817589895 727268872 /nfs/dbraw/zinc/26/88/72/727268872.db2.gz RACBOLUCSFQKDP-VXGBXAGGSA-N 1 0 355.276 3.064 20 10 FGCDRO CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1[O-] ZINC000817982815 727290395 /nfs/dbraw/zinc/29/03/95/727290395.db2.gz HWBBJQSMENLLOO-JMLCCBQJSA-N 1 0 351.922 3.303 20 10 FGCDRO CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818222567 727302142 /nfs/dbraw/zinc/30/21/42/727302142.db2.gz UUFOJPVJWXTBNZ-AWEZNQCLSA-N 1 0 362.905 3.261 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1F ZINC000818985202 727334242 /nfs/dbraw/zinc/33/42/42/727334242.db2.gz OELRJMRRHIWYPU-OAHLLOKOSA-N 1 0 352.837 3.075 20 10 FGCDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404091 729276512 /nfs/dbraw/zinc/27/65/12/729276512.db2.gz LNLCGLMERSORKP-RDJZCZTQSA-N 1 0 357.523 3.470 20 10 FGCDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000823666732 729297222 /nfs/dbraw/zinc/29/72/22/729297222.db2.gz QQOFBGXNGPHDNE-WBMJQRKESA-N 1 0 360.445 3.383 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000824636932 729352223 /nfs/dbraw/zinc/35/22/23/729352223.db2.gz VEJYBJXYJWFFDC-CZUORRHYSA-N 1 0 357.401 3.079 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2(CF)CCOCC2)c1O ZINC000824795041 729359160 /nfs/dbraw/zinc/35/91/60/729359160.db2.gz MDTZIUKCRVXMCE-UHFFFAOYSA-N 1 0 362.239 3.019 20 10 FGCDRO O=C1CCCCN1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824888328 729363766 /nfs/dbraw/zinc/36/37/66/729363766.db2.gz ALCDOIZMQHIXIS-UHFFFAOYSA-N 1 0 367.287 3.132 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000825038228 729368762 /nfs/dbraw/zinc/36/87/62/729368762.db2.gz VLZBYIQXIBZDNH-UHFFFAOYSA-N 1 0 350.212 3.216 20 10 FGCDRO O=C(CC1CCCCC1)NCC[NH2+]Cc1ccc(Br)cc1O ZINC000825273317 729376532 /nfs/dbraw/zinc/37/65/32/729376532.db2.gz GTACCHXCWCLHRC-UHFFFAOYSA-N 1 0 369.303 3.331 20 10 FGCDRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccc(F)cc1F ZINC000825283174 729377027 /nfs/dbraw/zinc/37/70/27/729377027.db2.gz HEOXSDPPFZJXEF-MRXNPFEDSA-N 1 0 372.209 3.430 20 10 FGCDRO COc1cccc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c1O ZINC000825305437 729377847 /nfs/dbraw/zinc/37/78/47/729377847.db2.gz JAFGLSYHRYBKJA-OAHLLOKOSA-N 1 0 366.255 3.329 20 10 FGCDRO CC(C)([NH2+]Cc1ccc(Br)cc1O)C(=O)NCC1CCCC1 ZINC000825375719 729380717 /nfs/dbraw/zinc/38/07/17/729380717.db2.gz QBXUBVJRKDEGBY-UHFFFAOYSA-N 1 0 369.303 3.329 20 10 FGCDRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825451567 729383890 /nfs/dbraw/zinc/38/38/90/729383890.db2.gz XEWWZEBQHGOJHB-YCRPNKLZSA-N 1 0 368.296 3.364 20 10 FGCDRO C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(Br)cc1O)C[C@H](C)O2 ZINC000825754080 729394133 /nfs/dbraw/zinc/39/41/33/729394133.db2.gz ZJWAQNJHHMZRMS-IIYDPXPESA-N 1 0 370.287 3.313 20 10 FGCDRO OC[C@]1(C[NH2+]Cc2ccc(Br)cc2O)C[C@@H]1c1ccccc1 ZINC000825944139 729400322 /nfs/dbraw/zinc/40/03/22/729400322.db2.gz RAUPAUVLIVXCGK-SJLPKXTDSA-N 1 0 362.267 3.411 20 10 FGCDRO OC[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)C[C@H]1c1ccccc1 ZINC000825944140 729400334 /nfs/dbraw/zinc/40/03/34/729400334.db2.gz RAUPAUVLIVXCGK-WMZOPIPTSA-N 1 0 362.267 3.411 20 10 FGCDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320574 729428670 /nfs/dbraw/zinc/42/86/70/729428670.db2.gz LNNGUXLLAKJDON-MOPGFXCFSA-N 1 0 361.555 3.154 20 10 FGCDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834798881 729835114 /nfs/dbraw/zinc/83/51/14/729835114.db2.gz QPDQLJSCALGDHB-HNNXBMFYSA-N 1 0 359.857 3.255 20 10 FGCDRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(N(C)C)cc1 ZINC000834841566 729838316 /nfs/dbraw/zinc/83/83/16/729838316.db2.gz XEHGLNAEEIGSMI-CYBMUJFWSA-N 1 0 364.287 3.028 20 10 FGCDRO CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1cc(Cl)ccc1O ZINC000834856516 729839379 /nfs/dbraw/zinc/83/93/79/729839379.db2.gz RQJHTYJOQXBSNP-MRXNPFEDSA-N 1 0 357.878 3.299 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O ZINC000834882141 729841978 /nfs/dbraw/zinc/84/19/78/729841978.db2.gz IKOXLAIXMLTNAD-GFCCVEGCSA-N 1 0 368.886 3.147 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCOCC2CCCC2)c1O ZINC000835059230 729854108 /nfs/dbraw/zinc/85/41/08/729854108.db2.gz PLCQBILABYVHSF-UHFFFAOYSA-N 1 0 358.276 3.460 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000835067911 729855383 /nfs/dbraw/zinc/85/53/83/729855383.db2.gz WVRJIDCNZNGUSQ-OAHLLOKOSA-N 1 0 370.877 3.080 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC000840884326 730188145 /nfs/dbraw/zinc/18/81/45/730188145.db2.gz JYSRKAHQGAECIL-UHFFFAOYSA-N 1 0 353.871 3.059 20 10 FGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840899939 730189160 /nfs/dbraw/zinc/18/91/60/730189160.db2.gz QIQUAUUSWTWZJN-SFHVURJKSA-N 1 0 351.830 3.194 20 10 FGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935708 730194064 /nfs/dbraw/zinc/19/40/64/730194064.db2.gz AYMDHAOPYJOIDH-GOSISDBHSA-N 1 0 360.523 3.403 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Cl)c1 ZINC000840940486 730194434 /nfs/dbraw/zinc/19/44/34/730194434.db2.gz BRQVEJAMHNPFFA-UHFFFAOYSA-N 1 0 350.806 3.296 20 10 FGCDRO COc1cccc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c1O ZINC000840958063 730197289 /nfs/dbraw/zinc/19/72/89/730197289.db2.gz IBKNNOOQFQJVSQ-HNNXBMFYSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1O ZINC000840962161 730197928 /nfs/dbraw/zinc/19/79/28/730197928.db2.gz GIDZLOVTABQAOY-UHFFFAOYSA-N 1 0 351.874 3.331 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1F ZINC000841798741 730275295 /nfs/dbraw/zinc/27/52/95/730275295.db2.gz MXPQJIVEMFSILU-YOEHRIQHSA-N 1 0 350.482 3.083 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1F ZINC000841798435 730275304 /nfs/dbraw/zinc/27/53/04/730275304.db2.gz IXILPBYLOXDFBZ-KRWDZBQOSA-N 1 0 352.498 3.187 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NCC[NH2+]C3CC3)cc2Cl)C1 ZINC000841895774 730284039 /nfs/dbraw/zinc/28/40/39/730284039.db2.gz GDAPJRHDSWQKQO-AWEZNQCLSA-N 1 0 364.921 3.128 20 10 FGCDRO [NH3+]C1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000843046994 730573991 /nfs/dbraw/zinc/57/39/91/730573991.db2.gz CMIJNDXVXNBDJD-UHFFFAOYSA-N 1 0 352.320 3.363 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000843049204 730574088 /nfs/dbraw/zinc/57/40/88/730574088.db2.gz JGKMILSRFZWJKX-OAHLLOKOSA-N 1 0 352.320 3.233 20 10 FGCDRO Cc1nn(C)c2nc(Cl)c(CN3CCCc4cc(C[NH3+])ccc43)cc12 ZINC000843057891 730575021 /nfs/dbraw/zinc/57/50/21/730575021.db2.gz WTFOITYKRXHJHL-UHFFFAOYSA-N 1 0 355.873 3.342 20 10 FGCDRO COc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(F)c1 ZINC000844268241 730696297 /nfs/dbraw/zinc/69/62/97/730696297.db2.gz HDUVWDKHKZRYFD-DHDCSXOGSA-N 1 0 366.483 3.130 20 10 FGCDRO COc1cc(Br)cc(CN(C)CC[NH+]2CCCCC2)c1O ZINC000846115312 730930047 /nfs/dbraw/zinc/93/00/47/730930047.db2.gz UHPLAQXFHOBEJM-UHFFFAOYSA-N 1 0 357.292 3.081 20 10 FGCDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)N1CCOCC1 ZINC000846139010 730931820 /nfs/dbraw/zinc/93/18/20/730931820.db2.gz ODDDTPQTWZEAIU-CRAIPNDOSA-N 1 0 350.503 3.188 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846164309 730932995 /nfs/dbraw/zinc/93/29/95/730932995.db2.gz NXAMHRFAYUZHMF-KFWWJZLASA-N 1 0 350.459 3.308 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)s1 ZINC000846168692 730933158 /nfs/dbraw/zinc/93/31/58/730933158.db2.gz UBWAZEFCVZJUDR-LLVKDONJSA-N 1 0 355.481 3.107 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000848531503 731176232 /nfs/dbraw/zinc/17/62/32/731176232.db2.gz PHQDZAQJGWRZKR-NWDGAFQWSA-N 1 0 357.292 3.156 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)c1O ZINC000848535044 731177249 /nfs/dbraw/zinc/17/72/49/731177249.db2.gz CLHYFNGJGFEOMP-KOLCDFICSA-N 1 0 368.275 3.477 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c1O ZINC000848551893 731180209 /nfs/dbraw/zinc/18/02/09/731180209.db2.gz FEGPQXRRCYKWAT-UHIISALHSA-N 1 0 358.276 3.365 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(C(F)(F)F)cc1O ZINC000848563582 731182398 /nfs/dbraw/zinc/18/23/98/731182398.db2.gz VJXDBGGNGGARMG-AAEUAGOBSA-N 1 0 354.376 3.138 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848569607 731183443 /nfs/dbraw/zinc/18/34/43/731183443.db2.gz FYJCUWXSMAAGPN-MFKMUULPSA-N 1 0 369.259 3.097 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1O ZINC000848573672 731184565 /nfs/dbraw/zinc/18/45/65/731184565.db2.gz IPPDHTKZOFPCJI-OCCSQVGLSA-N 1 0 358.360 3.435 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850404381 731353000 /nfs/dbraw/zinc/35/30/00/731353000.db2.gz KSFCEOVNNNEQTF-UHFFFAOYSA-N 1 0 350.203 3.185 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(Br)cc1O ZINC000850503817 731366127 /nfs/dbraw/zinc/36/61/27/731366127.db2.gz ZABBKUKKSXRFDB-SPQIJUHKSA-N 1 0 360.317 3.495 20 10 FGCDRO C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000850557060 731372853 /nfs/dbraw/zinc/37/28/53/731372853.db2.gz KPJQNZYIISRDQT-IUODEOHRSA-N 1 0 369.303 3.059 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(Br)cc1O ZINC000850559699 731373342 /nfs/dbraw/zinc/37/33/42/731373342.db2.gz ANXRUAOSTLVVTO-PXAZEXFGSA-N 1 0 372.303 3.373 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000850563295 731373662 /nfs/dbraw/zinc/37/36/62/731373662.db2.gz VRQXTWXTOVQDAW-DZGCQCFKSA-N 1 0 351.878 3.295 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1F ZINC000858136980 732184595 /nfs/dbraw/zinc/18/45/95/732184595.db2.gz BTGICFLGGXBECY-GOSISDBHSA-N 1 0 356.363 3.306 20 10 FGCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC000858162380 732187787 /nfs/dbraw/zinc/18/77/87/732187787.db2.gz YYHNPSRWDQTLGN-CQSZACIVSA-N 1 0 350.256 3.238 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000858196100 732191596 /nfs/dbraw/zinc/19/15/96/732191596.db2.gz JPUJUFDMLOTQKV-UHFFFAOYSA-N 1 0 363.246 3.221 20 10 FGCDRO Oc1cccc(Br)c1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000858196915 732191608 /nfs/dbraw/zinc/19/16/08/732191608.db2.gz YTTBTZYSBYTFSG-AWEZNQCLSA-N 1 0 353.304 3.366 20 10 FGCDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000858470637 732217938 /nfs/dbraw/zinc/21/79/38/732217938.db2.gz KBRUTMDSJNOYCG-CABZTGNLSA-N 1 0 370.243 3.076 20 10 FGCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000858505543 732221590 /nfs/dbraw/zinc/22/15/90/732221590.db2.gz MBRACTICESXPDZ-GXFFZTMASA-N 1 0 354.244 3.457 20 10 FGCDRO Cc1cc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000858542047 732225579 /nfs/dbraw/zinc/22/55/79/732225579.db2.gz HZSOVTSEBNJUSY-INIZCTEOSA-N 1 0 360.523 3.397 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN(C)CC(F)F)c1O ZINC000858596488 732229811 /nfs/dbraw/zinc/22/98/11/732229811.db2.gz JABVMZSGMDGXGO-VIFPVBQESA-N 1 0 367.234 3.011 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862403268 732825768 /nfs/dbraw/zinc/82/57/68/732825768.db2.gz OLCKLAOBXXIDRF-WBMJQRKESA-N 1 0 370.877 3.160 20 10 FGCDRO CCc1cccc(C[NH2+]Cc2cc(Br)cnc2OC)c1O ZINC000862484129 732840160 /nfs/dbraw/zinc/84/01/60/732840160.db2.gz DCXQZTDFKUVSEF-UHFFFAOYSA-N 1 0 351.244 3.411 20 10 FGCDRO Cc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(F)c1 ZINC000864355749 733049305 /nfs/dbraw/zinc/04/93/05/733049305.db2.gz JGQPEVYZEBLMRY-XNTDXEJSSA-N 1 0 350.484 3.430 20 10 FGCDRO FC(F)(F)[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)n1cncn1 ZINC000865682300 733251312 /nfs/dbraw/zinc/25/13/12/733251312.db2.gz CAWMUQDNOIEDDM-MRXNPFEDSA-N 1 0 353.392 3.162 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1O ZINC000866447204 733350746 /nfs/dbraw/zinc/35/07/46/733350746.db2.gz WWUXIDUACDKVCA-BKPHSKEQSA-N 1 0 368.271 3.237 20 10 FGCDRO COc1ccc(C[NH2+]CCc2ccc(Cl)nc2)cc1Cn1cccn1 ZINC000873078577 735717810 /nfs/dbraw/zinc/71/78/10/735717810.db2.gz OPONOUOXJOVYFO-UHFFFAOYSA-N 1 0 356.857 3.321 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000873228085 735740210 /nfs/dbraw/zinc/74/02/10/735740210.db2.gz PFASZCUFTGJNOR-GHMZBOCLSA-N 1 0 367.209 3.032 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc(C(F)(F)F)c2)cc1 ZINC000876506924 736108126 /nfs/dbraw/zinc/10/81/26/736108126.db2.gz QQHBTHUBSDYMSN-CYBMUJFWSA-N 1 0 357.401 3.263 20 10 FGCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000876649430 736126488 /nfs/dbraw/zinc/12/64/88/736126488.db2.gz VXEQZDGAMUZWSF-UHFFFAOYSA-N 1 0 358.507 3.333 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c(C)cccc2O)s1 ZINC000876983512 736170206 /nfs/dbraw/zinc/17/02/06/736170206.db2.gz XOADKIBDPCCLJK-UHFFFAOYSA-N 1 0 368.524 3.082 20 10 FGCDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)c(Br)cc1O ZINC000877607470 736691482 /nfs/dbraw/zinc/69/14/82/736691482.db2.gz CZUJSXLRGMYFME-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645438 736699269 /nfs/dbraw/zinc/69/92/69/736699269.db2.gz LAAPGGHHAZDUSN-INIZCTEOSA-N 1 0 363.255 3.341 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc2)CC1 ZINC000881854131 737390057 /nfs/dbraw/zinc/39/00/57/737390057.db2.gz TWBSKMXURXTLOI-UHFFFAOYSA-N 1 0 357.420 3.033 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Br)ccc1O ZINC000883276599 737545055 /nfs/dbraw/zinc/54/50/55/737545055.db2.gz NCZNIWVAOLFRLT-DGCLKSJQSA-N 1 0 354.244 3.250 20 10 FGCDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747096 739290734 /nfs/dbraw/zinc/29/07/34/739290734.db2.gz KVWGYAXCLZFJBE-OAHLLOKOSA-N 1 0 363.571 3.398 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C(F)(F)F)[NH+](C)C)cc1 ZINC000891246400 739885770 /nfs/dbraw/zinc/88/57/70/739885770.db2.gz CCYVPAKTCZAPNT-HNNXBMFYSA-N 1 0 359.436 3.450 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)C2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000891247416 739886060 /nfs/dbraw/zinc/88/60/60/739886060.db2.gz HBNNTQRSIGKZNU-QGZVFWFLSA-N 1 0 353.457 3.297 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891249570 739886542 /nfs/dbraw/zinc/88/65/42/739886542.db2.gz RNFZDSQCUPYBFH-RDJZCZTQSA-N 1 0 353.457 3.297 20 10 FGCDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000892204335 739975459 /nfs/dbraw/zinc/97/54/59/739975459.db2.gz KJBAMJFGICXMME-ZJWNCGCPSA-N 1 0 363.479 3.340 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cccc(OCC(F)F)c2)c(O)c1OC ZINC000892945069 740060894 /nfs/dbraw/zinc/06/08/94/740060894.db2.gz RPWBTQBBXJWXRE-UHFFFAOYSA-N 1 0 353.365 3.343 20 10 FGCDRO COc1ccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c(O)c1OC ZINC000893119093 742113162 /nfs/dbraw/zinc/11/31/62/742113162.db2.gz QFOZCYMUNJUFKC-UHFFFAOYSA-N 1 0 373.236 3.280 20 10 FGCDRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000895633036 742435041 /nfs/dbraw/zinc/43/50/41/742435041.db2.gz WKWIPKQPUCQPEJ-WMZOPIPTSA-N 1 0 360.523 3.315 20 10 FGCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000895714578 742445743 /nfs/dbraw/zinc/44/57/43/742445743.db2.gz VFKYHARFYUHWIY-OAGJVSPASA-N 1 0 355.356 3.479 20 10 FGCDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896789885 742598663 /nfs/dbraw/zinc/59/86/63/742598663.db2.gz JGACPKHRYLVMFJ-CYBMUJFWSA-N 1 0 360.479 3.116 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cc3nc(C)no3)C2)c1O ZINC000897576836 742691590 /nfs/dbraw/zinc/69/15/90/742691590.db2.gz KPHQTNNCEUBACQ-GFCCVEGCSA-N 1 0 351.834 3.200 20 10 FGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)N(C)C)cc1 ZINC000898450132 742795702 /nfs/dbraw/zinc/79/57/02/742795702.db2.gz OEHWQMXMNYWDTI-PVAVHDDUSA-N 1 0 359.436 3.055 20 10 FGCDRO Cc1cc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cnc1F ZINC000899260757 742900717 /nfs/dbraw/zinc/90/07/17/742900717.db2.gz QCHQIIPRUUIUTN-NTUHNPAUSA-N 1 0 367.515 3.318 20 10 FGCDRO CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Cl)ccc1O ZINC000903372308 743842074 /nfs/dbraw/zinc/84/20/74/743842074.db2.gz JDHMECTWKBKCBV-OAHLLOKOSA-N 1 0 355.862 3.135 20 10 FGCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917592984 758246140 /nfs/dbraw/zinc/24/61/40/758246140.db2.gz AJQPZCPNCPYXEY-IBGZPJMESA-N 1 0 362.587 3.322 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1O ZINC000922892797 759023729 /nfs/dbraw/zinc/02/37/29/759023729.db2.gz CISOKHGIVGMWJA-OAHLLOKOSA-N 1 0 368.275 3.384 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)cn1 ZINC000925160662 759457012 /nfs/dbraw/zinc/45/70/12/759457012.db2.gz MLRRFHLOCLUNML-ZIAGYGMSSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000926905401 759840574 /nfs/dbraw/zinc/84/05/74/759840574.db2.gz BAICJFUHIRPONS-GFCCVEGCSA-N 1 0 353.871 3.342 20 10 FGCDRO Cc1cc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)nn1C ZINC000926915290 759847880 /nfs/dbraw/zinc/84/78/80/759847880.db2.gz ONGPZWSNGIPUIB-OAHLLOKOSA-N 1 0 362.905 3.112 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1ccc(C(F)(F)F)cc1O ZINC000927156772 759909199 /nfs/dbraw/zinc/90/91/99/759909199.db2.gz QIJAXAJFMJUYTP-BPUTZDHNSA-N 1 0 359.388 3.382 20 10 FGCDRO C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000930209450 760555027 /nfs/dbraw/zinc/55/50/27/760555027.db2.gz DNTZVFOAVSQLMI-MRXNPFEDSA-N 1 0 350.528 3.086 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCSCC2)c1O ZINC000779024515 724381965 /nfs/dbraw/zinc/38/19/65/724381965.db2.gz OOJYBHVMLFNXKX-LBPRGKRZSA-N 1 0 359.333 3.163 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCSCC2)c1O ZINC000779024514 724382082 /nfs/dbraw/zinc/38/20/82/724382082.db2.gz OOJYBHVMLFNXKX-GFCCVEGCSA-N 1 0 359.333 3.163 20 10 FGCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779051462 724384722 /nfs/dbraw/zinc/38/47/22/724384722.db2.gz HVGPLUGFXAWDDR-DGCLKSJQSA-N 1 0 371.275 3.345 20 10 FGCDRO Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)on1 ZINC000579698928 505604286 /nfs/dbraw/zinc/60/42/86/505604286.db2.gz PRAISNXBOSIFQE-UHFFFAOYSA-N 1 0 366.465 3.021 20 10 FGCDRO CNC(=O)c1ccc(C[N@H+](C)C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000072801343 494252713 /nfs/dbraw/zinc/25/27/13/494252713.db2.gz SBWWWQUVBGAEHS-UHFFFAOYSA-N 1 0 367.493 3.156 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000089618948 494332363 /nfs/dbraw/zinc/33/23/63/494332363.db2.gz FHVHHHUECBMPDM-WMLDXEAASA-N 1 0 369.431 3.491 20 10 FGCDRO COc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1O ZINC000073442828 494372813 /nfs/dbraw/zinc/37/28/13/494372813.db2.gz HUZUIVJQNSLQGQ-MRXNPFEDSA-N 1 0 373.453 3.020 20 10 FGCDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000074336990 494521640 /nfs/dbraw/zinc/52/16/40/494521640.db2.gz ZRLYLKOVXDSRQH-INIZCTEOSA-N 1 0 353.466 3.332 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000046983929 494603517 /nfs/dbraw/zinc/60/35/17/494603517.db2.gz MOXFGYKGYIGEJG-UHFFFAOYSA-N 1 0 370.541 3.447 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000115824894 494633417 /nfs/dbraw/zinc/63/34/17/494633417.db2.gz AXCBCPMBNODCHV-FQEVSTJZSA-N 1 0 372.557 3.406 20 10 FGCDRO CCC[N@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccccc1O ZINC000092705001 494716918 /nfs/dbraw/zinc/71/69/18/494716918.db2.gz BNECAGSPJUZFGE-UHFFFAOYSA-N 1 0 359.470 3.181 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000102432781 495136289 /nfs/dbraw/zinc/13/62/89/495136289.db2.gz YKYDQLWNQBYEKO-UHFFFAOYSA-N 1 0 353.466 3.412 20 10 FGCDRO CCn1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000112098285 495143395 /nfs/dbraw/zinc/14/33/95/495143395.db2.gz MTZIFPQVAPZXFL-UHFFFAOYSA-N 1 0 350.413 3.263 20 10 FGCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000120083229 495303733 /nfs/dbraw/zinc/30/37/33/495303733.db2.gz ROSYIFFBHJBROT-KRWDZBQOSA-N 1 0 359.857 3.107 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1[O-] ZINC000185651528 495662782 /nfs/dbraw/zinc/66/27/82/495662782.db2.gz UPVADUDHUNZEQW-OAHLLOKOSA-N 1 0 358.457 3.339 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176977251 495867378 /nfs/dbraw/zinc/86/73/78/495867378.db2.gz YLKIICRJGWCABY-MRXNPFEDSA-N 1 0 357.498 3.133 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000186144099 495872138 /nfs/dbraw/zinc/87/21/38/495872138.db2.gz YLKJELGONYLXAV-CABZTGNLSA-N 1 0 350.768 3.250 20 10 FGCDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000183223271 495887216 /nfs/dbraw/zinc/88/72/16/495887216.db2.gz ZCGAHRQZCOFKTE-VTCANLHHSA-N 1 0 360.473 3.271 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000152063039 496036355 /nfs/dbraw/zinc/03/63/55/496036355.db2.gz WNVBOTADIQATBS-AWEZNQCLSA-N 1 0 358.413 3.242 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180724239 496119251 /nfs/dbraw/zinc/11/92/51/496119251.db2.gz ZJISEAYNJVFIEQ-IQIBNGDESA-N 1 0 372.490 3.201 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000156284477 496205782 /nfs/dbraw/zinc/20/57/82/496205782.db2.gz NAVNHDKKYDUZIK-IRXDYDNUSA-N 1 0 359.514 3.043 20 10 FGCDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000187113730 496299412 /nfs/dbraw/zinc/29/94/12/496299412.db2.gz CNMSPAMRPCBKSW-RDJZCZTQSA-N 1 0 354.450 3.223 20 10 FGCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187173568 496324953 /nfs/dbraw/zinc/32/49/53/496324953.db2.gz WLFXBEGTTBSWFQ-LBPRGKRZSA-N 1 0 369.303 3.372 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc4cnccn34)C2)cc1 ZINC000156926869 496367095 /nfs/dbraw/zinc/36/70/95/496367095.db2.gz ZFBJYLXFHCYSCY-CQSZACIVSA-N 1 0 373.407 3.089 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000187371094 496414819 /nfs/dbraw/zinc/41/48/19/496414819.db2.gz ROAROXWGGVPZFE-GXFFZTMASA-N 1 0 350.260 3.394 20 10 FGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C ZINC000181562827 496448176 /nfs/dbraw/zinc/44/81/76/496448176.db2.gz FLLQZVUGCBFYJN-MOPGFXCFSA-N 1 0 350.478 3.080 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000163140462 496471534 /nfs/dbraw/zinc/47/15/34/496471534.db2.gz WEMQIWJVOVGGAP-OAHLLOKOSA-N 1 0 371.447 3.138 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000184965334 496603156 /nfs/dbraw/zinc/60/31/56/496603156.db2.gz FBETULJFFJFFQL-KRWDZBQOSA-N 1 0 367.493 3.454 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109592 496664543 /nfs/dbraw/zinc/66/45/43/496664543.db2.gz CUOCHUGVGZPSOM-CHWSQXEVSA-N 1 0 366.458 3.193 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000185260483 496720011 /nfs/dbraw/zinc/72/00/11/496720011.db2.gz DRFFXHWSAKMJIT-UZLBHIALSA-N 1 0 368.477 3.285 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000268759503 496775838 /nfs/dbraw/zinc/77/58/38/496775838.db2.gz MSBNRSWJCSPLEK-KRWDZBQOSA-N 1 0 354.498 3.225 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c(O)c1 ZINC000273374882 496787936 /nfs/dbraw/zinc/78/79/36/496787936.db2.gz HAVYDGAHJXKFIU-MRXNPFEDSA-N 1 0 354.450 3.024 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273417086 496800741 /nfs/dbraw/zinc/80/07/41/496800741.db2.gz RAZOPGWXHFPUDE-CQSZACIVSA-N 1 0 359.426 3.092 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264574496 496932934 /nfs/dbraw/zinc/93/29/34/496932934.db2.gz IGQRDJAMCRGKDZ-HXUWFJFHSA-N 1 0 356.514 3.057 20 10 FGCDRO COc1c([O-])c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278229779 497043725 /nfs/dbraw/zinc/04/37/25/497043725.db2.gz MRVKJWQTCXKBMH-MRXNPFEDSA-N 1 0 372.421 3.348 20 10 FGCDRO CC1CC[NH+]([C@@H](CNC(=O)Cc2ccc(N)cc2)c2cccs2)CC1 ZINC000236651778 497127965 /nfs/dbraw/zinc/12/79/65/497127965.db2.gz AKNCXCARNRVACB-SFHVURJKSA-N 1 0 357.523 3.462 20 10 FGCDRO O=C(NCCc1ccc(O)c(O)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000270526701 497145445 /nfs/dbraw/zinc/14/54/45/497145445.db2.gz CEWZZQSHUMAXGV-UHFFFAOYSA-N 1 0 354.450 3.056 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236917709 497168796 /nfs/dbraw/zinc/16/87/96/497168796.db2.gz ZEJQLQSXPZDBEK-BXUZGUMPSA-N 1 0 355.276 3.021 20 10 FGCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CC[NH2+]CC2)cc1 ZINC000237451839 497238598 /nfs/dbraw/zinc/23/85/98/497238598.db2.gz FOCYWHMOBHGVOE-UHFFFAOYSA-N 1 0 367.493 3.294 20 10 FGCDRO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266148422 497267506 /nfs/dbraw/zinc/26/75/06/497267506.db2.gz JJUIKZOMIAVGGI-AWEZNQCLSA-N 1 0 350.413 3.387 20 10 FGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)c(=O)n1C ZINC000279583367 497478009 /nfs/dbraw/zinc/47/80/09/497478009.db2.gz UUBWPBVRIFBKCN-LLVKDONJSA-N 1 0 351.244 3.013 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1O ZINC000267298845 497519124 /nfs/dbraw/zinc/51/91/24/497519124.db2.gz FFYCUUUYXPLCGF-LPHOPBHVSA-N 1 0 353.466 3.102 20 10 FGCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000279771309 497535750 /nfs/dbraw/zinc/53/57/50/497535750.db2.gz STWYPQQKIFIMCW-IRXDYDNUSA-N 1 0 359.491 3.390 20 10 FGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000279771303 497536615 /nfs/dbraw/zinc/53/66/15/497536615.db2.gz STWYPQQKIFIMCW-IAGOWNOFSA-N 1 0 359.491 3.390 20 10 FGCDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000276647408 497619971 /nfs/dbraw/zinc/61/99/71/497619971.db2.gz WEDOAFXEEITURO-MQVJKMGUSA-N 1 0 370.424 3.162 20 10 FGCDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000276840415 497668287 /nfs/dbraw/zinc/66/82/87/497668287.db2.gz SMHGILXFHNKDBE-LJQANCHMSA-N 1 0 366.461 3.168 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(C[C@H]3c3nnc(C)o3)CC2)c1O ZINC000364204769 497839795 /nfs/dbraw/zinc/83/97/95/497839795.db2.gz DKCJTXOLQQNBNK-INIZCTEOSA-N 1 0 359.401 3.195 20 10 FGCDRO C[C@H]1CN(Cc2cccc(C[NH2+][C@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033785 497899157 /nfs/dbraw/zinc/89/91/57/497899157.db2.gz QGEJLMMWMFGWRH-JXFKEZNVSA-N 1 0 352.478 3.390 20 10 FGCDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1CO)c1ccc(N2CCOCC2)cc1 ZINC000364584182 498036422 /nfs/dbraw/zinc/03/64/22/498036422.db2.gz VLIHWOLFBBXVJP-WGGBDISSSA-N 1 0 366.505 3.470 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3nccc(C)c3[N+](=O)[O-])cc2F)CC1 ZINC000301303692 498048535 /nfs/dbraw/zinc/04/85/35/498048535.db2.gz SOYLEQWVHVLNTD-UHFFFAOYSA-N 1 0 373.432 3.191 20 10 FGCDRO CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000296460383 498052141 /nfs/dbraw/zinc/05/21/41/498052141.db2.gz NFWRCBSKYFOXAQ-IBGZPJMESA-N 1 0 350.503 3.006 20 10 FGCDRO COC(=O)C[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CCCC1 ZINC000296802483 498203708 /nfs/dbraw/zinc/20/37/08/498203708.db2.gz PFQGCKNFKDSGGV-UHFFFAOYSA-N 1 0 360.498 3.219 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C)n3)cc2F)CC1 ZINC000301662219 498211440 /nfs/dbraw/zinc/21/14/40/498211440.db2.gz MZQDLCRZGOGCTM-UHFFFAOYSA-N 1 0 373.432 3.191 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C4CC4)s3)cc2F)CC1 ZINC000301716379 498237090 /nfs/dbraw/zinc/23/70/90/498237090.db2.gz HBZCULPOJRUXHH-UHFFFAOYSA-N 1 0 361.490 3.309 20 10 FGCDRO COc1cccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000293440957 498386053 /nfs/dbraw/zinc/38/60/53/498386053.db2.gz OQWVKYHRONIBEC-UHFFFAOYSA-N 1 0 369.870 3.008 20 10 FGCDRO C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282205170 498422596 /nfs/dbraw/zinc/42/25/96/498422596.db2.gz HARQGNGWFOBOLA-LBPRGKRZSA-N 1 0 360.329 3.376 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293650391 498442416 /nfs/dbraw/zinc/44/24/16/498442416.db2.gz MZLVDYOSZQOLDB-KRWDZBQOSA-N 1 0 350.846 3.299 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2F)CC1 ZINC000282392912 498492962 /nfs/dbraw/zinc/49/29/62/498492962.db2.gz XODPLPNRBWTYCD-HXUWFJFHSA-N 1 0 362.489 3.226 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1OC ZINC000290354493 498520131 /nfs/dbraw/zinc/52/01/31/498520131.db2.gz GJACDTKNNBAHAC-CQSZACIVSA-N 1 0 353.422 3.446 20 10 FGCDRO COCCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cn1 ZINC000282495143 498533764 /nfs/dbraw/zinc/53/37/64/498533764.db2.gz HXUDJRUDFNADGY-GFCCVEGCSA-N 1 0 368.275 3.157 20 10 FGCDRO Oc1ccc2ccccc2c1CN1CCn2c(CC(F)(F)F)nnc2C1 ZINC000365829001 498658419 /nfs/dbraw/zinc/65/84/19/498658419.db2.gz HJDRIKHNZXQRJH-UHFFFAOYSA-N 1 0 362.355 3.258 20 10 FGCDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000295054727 498894729 /nfs/dbraw/zinc/89/47/29/498894729.db2.gz AXOCHFMNJXXPDE-UHFFFAOYSA-N 1 0 372.484 3.304 20 10 FGCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295253852 498956648 /nfs/dbraw/zinc/95/66/48/498956648.db2.gz UMZXJSYJUQPRBS-HNNXBMFYSA-N 1 0 366.552 3.297 20 10 FGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000295270669 498961282 /nfs/dbraw/zinc/96/12/82/498961282.db2.gz ZEIGTVXCLNDDQX-JOCHJYFZSA-N 1 0 368.521 3.337 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363750106 498974247 /nfs/dbraw/zinc/97/42/47/498974247.db2.gz MFZWNFJGROLKLS-APWZRJJASA-N 1 0 352.482 3.103 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c(O)c1C ZINC000363860961 499029053 /nfs/dbraw/zinc/02/90/53/499029053.db2.gz VXMWMMSPONPHCQ-ZWOKBUDYSA-N 1 0 356.514 3.476 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000372688616 499161084 /nfs/dbraw/zinc/16/10/84/499161084.db2.gz HBCMQQXEUUJHDP-UHFFFAOYSA-N 1 0 358.526 3.477 20 10 FGCDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)C1 ZINC000367354243 499187026 /nfs/dbraw/zinc/18/70/26/499187026.db2.gz UCHLJTJGXZPIFX-MRXNPFEDSA-N 1 0 361.505 3.362 20 10 FGCDRO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(N2CCC(O)CC2)cc1 ZINC000367439210 499199103 /nfs/dbraw/zinc/19/91/03/499199103.db2.gz SERGCPOTUNDWIO-MRXNPFEDSA-N 1 0 354.498 3.031 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000370409695 499218109 /nfs/dbraw/zinc/21/81/09/499218109.db2.gz IBYVQXQXCOXTOJ-UWJYYQICSA-N 1 0 355.482 3.311 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1OC ZINC000370649683 499239840 /nfs/dbraw/zinc/23/98/40/499239840.db2.gz GFWFRCIOQGNOJI-MRXNPFEDSA-N 1 0 356.466 3.416 20 10 FGCDRO CCc1nc(CN2CCC[C@H]([N@H+](C)[C@H](C)c3cc(OC)ccc3O)C2)no1 ZINC000368030321 499257254 /nfs/dbraw/zinc/25/72/54/499257254.db2.gz MYBOKLKAWSBSDR-CABCVRRESA-N 1 0 374.485 3.004 20 10 FGCDRO C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(F)cc1[O-] ZINC000368225995 499275650 /nfs/dbraw/zinc/27/56/50/499275650.db2.gz YQHZOHNMQPKQQZ-MRXNPFEDSA-N 1 0 363.521 3.378 20 10 FGCDRO Fc1ccccc1N1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368292389 499282665 /nfs/dbraw/zinc/28/26/65/499282665.db2.gz UJHKLNNRLAZBIH-LJQANCHMSA-N 1 0 369.484 3.278 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)ccc21 ZINC000368588868 499310802 /nfs/dbraw/zinc/31/08/02/499310802.db2.gz HHEDLBSXZNVHCQ-LAUBAEHRSA-N 1 0 369.509 3.071 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1 ZINC000371870240 499373787 /nfs/dbraw/zinc/37/37/87/499373787.db2.gz OOJXTZMKWPHTLV-INIZCTEOSA-N 1 0 354.450 3.163 20 10 FGCDRO CC[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccccc1O ZINC000372337637 499422172 /nfs/dbraw/zinc/42/21/72/499422172.db2.gz NRWBSHCOGSVUHI-WCQYABFASA-N 1 0 354.376 3.349 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)ccc1O ZINC000373258499 499460249 /nfs/dbraw/zinc/46/02/49/499460249.db2.gz ZKVZOABAKRBUEO-GXTWGEPZSA-N 1 0 359.857 3.074 20 10 FGCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC1CC([NH+]2CCCCC2)C1 ZINC000373463698 499471360 /nfs/dbraw/zinc/47/13/60/499471360.db2.gz ARELFYHMSQVWIW-UHFFFAOYSA-N 1 0 357.498 3.087 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000373602201 499479312 /nfs/dbraw/zinc/47/93/12/499479312.db2.gz RVTTXLFGXWZWFV-GFCCVEGCSA-N 1 0 361.467 3.269 20 10 FGCDRO CCC[C@@](C)([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000378202673 499490084 /nfs/dbraw/zinc/49/00/84/499490084.db2.gz GWZKLIGISJKYQF-QGZVFWFLSA-N 1 0 373.419 3.188 20 10 FGCDRO CCc1nccc([C@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000378436876 499516493 /nfs/dbraw/zinc/51/64/93/499516493.db2.gz DQOPYAQCGSZPKB-AWEZNQCLSA-N 1 0 357.454 3.141 20 10 FGCDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000375749902 499551510 /nfs/dbraw/zinc/55/15/10/499551510.db2.gz IKTNGSFDLKKWJL-UHFFFAOYSA-N 1 0 368.264 3.422 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCCCC2)cc1 ZINC000375853723 499562364 /nfs/dbraw/zinc/56/23/64/499562364.db2.gz ZQNNIRHRGUTLOJ-MJGOQNOKSA-N 1 0 353.514 3.340 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1[O-] ZINC000375852651 499562372 /nfs/dbraw/zinc/56/23/72/499562372.db2.gz ODUFGFLNCBEQMA-NVXWUHKLSA-N 1 0 374.460 3.497 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)c1O ZINC000375875066 499564042 /nfs/dbraw/zinc/56/40/42/499564042.db2.gz SDNRDADAFCXFJA-QZTJIDSGSA-N 1 0 364.873 3.224 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000376151835 499587112 /nfs/dbraw/zinc/58/71/12/499587112.db2.gz XATQOTRGJATPDS-VGOFRKELSA-N 1 0 352.478 3.488 20 10 FGCDRO Cc1nc(CN2CCC[C@H]([NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)C2)no1 ZINC000376304784 499599127 /nfs/dbraw/zinc/59/91/27/499599127.db2.gz HDYYNVHCQVXPIH-KSSFIOAISA-N 1 0 370.497 3.278 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]3C[NH+](C)C)ccc21 ZINC000427717193 500423818 /nfs/dbraw/zinc/42/38/18/500423818.db2.gz FEGVGVHPNYBBBP-GOSISDBHSA-N 1 0 357.498 3.071 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc21 ZINC000607689958 506227589 /nfs/dbraw/zinc/22/75/89/506227589.db2.gz USAIYWOLXFRVDG-KSSFIOAISA-N 1 0 357.498 3.117 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCSC[C@H]2C)C1 ZINC000435870179 501039718 /nfs/dbraw/zinc/03/97/18/501039718.db2.gz DUOSZCMQDSQTJU-MRXNPFEDSA-N 1 0 371.550 3.372 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000471839885 502151156 /nfs/dbraw/zinc/15/11/56/502151156.db2.gz PXDBUNVYSWRWTA-LJQANCHMSA-N 1 0 356.514 3.406 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC([NH+](C)C)CC3)ccc21 ZINC000490135572 503114930 /nfs/dbraw/zinc/11/49/30/503114930.db2.gz JABVDZBIUDRSFJ-UHFFFAOYSA-N 1 0 357.498 3.071 20 10 FGCDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000490234399 503137572 /nfs/dbraw/zinc/13/75/72/503137572.db2.gz DGYXWJKUOFURBF-HNNXBMFYSA-N 1 0 359.514 3.365 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000779052500 724384844 /nfs/dbraw/zinc/38/48/44/724384844.db2.gz RESXHTKHXIZHQV-BLLLJJGKSA-N 1 0 372.303 3.291 20 10 FGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248087 503893313 /nfs/dbraw/zinc/89/33/13/503893313.db2.gz FQYKWQLFFJBQQB-HNNXBMFYSA-N 1 0 359.297 3.290 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CC(Cc3ccco3)C2)c1O ZINC000529649262 504752989 /nfs/dbraw/zinc/75/29/89/504752989.db2.gz PGPCUQSTXRQXPX-UHFFFAOYSA-N 1 0 352.228 3.431 20 10 FGCDRO COCCC(C)(C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000549321596 504790838 /nfs/dbraw/zinc/79/08/38/504790838.db2.gz HWWDGWDCROSQAK-UHFFFAOYSA-N 1 0 371.525 3.339 20 10 FGCDRO CC(C)(C)c1cccc2c1OCCN2C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592566416 507707357 /nfs/dbraw/zinc/70/73/57/507707357.db2.gz NIAKAIHVNNSPCO-AWEZNQCLSA-N 1 0 368.481 3.056 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825415846 607705537 /nfs/dbraw/zinc/70/55/37/607705537.db2.gz DOXVZDYTURMKIB-UHFFFAOYSA-N 1 0 362.481 3.492 20 10 FGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824590210 609335741 /nfs/dbraw/zinc/33/57/41/609335741.db2.gz AIMNEOKCNRMJGX-JTQLQIEISA-N 1 0 364.475 3.295 20 10 FGCDRO Cc1cc(CCNC(=S)NCCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000015156248 695616776 /nfs/dbraw/zinc/61/67/76/695616776.db2.gz PHNAPDXIKFGMHH-UHFFFAOYSA-N 1 0 358.555 3.052 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(OC)c(O)cc2Br)c1 ZINC000114506152 700578616 /nfs/dbraw/zinc/57/86/16/700578616.db2.gz YTMWTNJHAPTVDM-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO COC(=O)c1cc(C[N@H+](C)Cc2cc(Br)ccc2O)oc1C ZINC000122413346 700689340 /nfs/dbraw/zinc/68/93/40/700689340.db2.gz HLMJNAIINIDZRX-UHFFFAOYSA-N 1 0 368.227 3.475 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000122851582 700696576 /nfs/dbraw/zinc/69/65/76/700696576.db2.gz BYDTVAZAEMNYMS-UHFFFAOYSA-N 1 0 356.344 3.373 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000158035589 705170881 /nfs/dbraw/zinc/17/08/81/705170881.db2.gz BNHFKMDTHIIPPE-CZUORRHYSA-N 1 0 353.304 3.379 20 10 FGCDRO C[NH+](C)CCCC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000163410993 705313813 /nfs/dbraw/zinc/31/38/13/705313813.db2.gz OAYZLPGUGPFJOB-UHFFFAOYSA-N 1 0 370.588 3.389 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000185533762 712696275 /nfs/dbraw/zinc/69/62/75/712696275.db2.gz YQCFBZCFFZCBDC-BLLLJJGKSA-N 1 0 350.459 3.355 20 10 FGCDRO CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H]1CC[N@H+](C)C1 ZINC000187671398 712751703 /nfs/dbraw/zinc/75/17/03/712751703.db2.gz DAZDWGQWGGFWBP-AWEZNQCLSA-N 1 0 359.495 3.385 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000187692664 712751984 /nfs/dbraw/zinc/75/19/84/712751984.db2.gz VCIBMZLFSRENGS-ZIAGYGMSSA-N 1 0 350.459 3.308 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000187692643 712752074 /nfs/dbraw/zinc/75/20/74/712752074.db2.gz VCIBMZLFSRENGS-KBPBESRZSA-N 1 0 350.459 3.308 20 10 FGCDRO Cn1c2ccc(C[NH2+]Cc3ccc4c(c3)CCCN4C)cc2sc1=O ZINC000192516163 712865431 /nfs/dbraw/zinc/86/54/31/712865431.db2.gz ZYHBGVSCCMZDFF-UHFFFAOYSA-N 1 0 353.491 3.272 20 10 FGCDRO CN(C)c1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000194754411 713532936 /nfs/dbraw/zinc/53/29/36/713532936.db2.gz HMHAIKFCXRFRCU-FOWTUZBSSA-N 1 0 361.536 3.048 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000380975862 713977643 /nfs/dbraw/zinc/97/76/43/713977643.db2.gz BDORCTHDTZSGCV-GOEBONIOSA-N 1 0 350.459 3.069 20 10 FGCDRO CN1C(=O)C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000779100753 724390065 /nfs/dbraw/zinc/39/00/65/724390065.db2.gz SDBNPMSLMFVRIZ-QAPCUYQASA-N 1 0 366.795 3.385 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000779164147 724397288 /nfs/dbraw/zinc/39/72/88/724397288.db2.gz WADJTTGTTFNZHP-UONOGXRCSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](CCN(C)C)C2CCCC2)c1O ZINC000779172671 724397598 /nfs/dbraw/zinc/39/75/98/724397598.db2.gz SOHXVCRLTHRPEP-UHFFFAOYSA-N 1 0 371.319 3.470 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000779528950 724417279 /nfs/dbraw/zinc/41/72/79/724417279.db2.gz BPYOCDJBSVUEHU-FIRRRZPPSA-N 1 0 360.841 3.184 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000790934657 723195917 /nfs/dbraw/zinc/19/59/17/723195917.db2.gz QPABRMDJQHGFTB-FZMZJTMJSA-N 1 0 358.276 3.289 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000770389433 723712752 /nfs/dbraw/zinc/71/27/52/723712752.db2.gz WIEKWXWRTIRSKI-KBPBESRZSA-N 1 0 350.459 3.136 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCCOC1 ZINC000780714331 724493886 /nfs/dbraw/zinc/49/38/86/724493886.db2.gz SBJRYOFUAGRHSA-YFHUEUNASA-N 1 0 350.478 3.344 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC(CCCO)CC2)c1O ZINC000783599462 724770352 /nfs/dbraw/zinc/77/03/52/724770352.db2.gz NYBSFSSMFYZPFS-UHFFFAOYSA-N 1 0 358.276 3.148 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727069761 722440833 /nfs/dbraw/zinc/44/08/33/722440833.db2.gz HSEPNVLCACFVFT-UHFFFAOYSA-N 1 0 350.576 3.037 20 10 FGCDRO O=C(NCCCSc1nccs1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000748529919 722694972 /nfs/dbraw/zinc/69/49/72/722694972.db2.gz FVIJOSSDDUBRRP-CQSZACIVSA-N 1 0 353.557 3.396 20 10 FGCDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000753646552 722907974 /nfs/dbraw/zinc/90/79/74/722907974.db2.gz ZWPSFGMFUVRWCG-MRXNPFEDSA-N 1 0 363.527 3.242 20 10 FGCDRO COC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCC1 ZINC000754273309 722933312 /nfs/dbraw/zinc/93/33/12/722933312.db2.gz AENMSRNHWFFZQT-MRXNPFEDSA-N 1 0 366.889 3.085 20 10 FGCDRO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc(Br)cc1O ZINC000756364123 722963442 /nfs/dbraw/zinc/96/34/42/722963442.db2.gz ULOVVNLWNYXEHA-LLVKDONJSA-N 1 0 361.243 3.091 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC000756443746 722964717 /nfs/dbraw/zinc/96/47/17/722964717.db2.gz IIEVJKIUSAEECU-OAHLLOKOSA-N 1 0 362.495 3.238 20 10 FGCDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Br)ccc1O ZINC000756476607 722965324 /nfs/dbraw/zinc/96/53/24/722965324.db2.gz SKFVDKBKWVTIHV-LBPRGKRZSA-N 1 0 363.255 3.122 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(O)c1C ZINC000756760824 722969672 /nfs/dbraw/zinc/96/96/72/722969672.db2.gz OHSMWUMAOXLBLB-CQSZACIVSA-N 1 0 368.524 3.042 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000758524321 722991076 /nfs/dbraw/zinc/99/10/76/722991076.db2.gz JAEBYNAOGVLFKH-HNNXBMFYSA-N 1 0 364.283 3.404 20 10 FGCDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCSc1nccs1 ZINC000759581984 723009972 /nfs/dbraw/zinc/00/99/72/723009972.db2.gz ZBKNFFZSUYERIP-ZIAGYGMSSA-N 1 0 356.561 3.187 20 10 FGCDRO CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc(OC)c1O ZINC000761203369 723132844 /nfs/dbraw/zinc/13/28/44/723132844.db2.gz QTELCLINIZPSEN-HOTGVXAUSA-N 1 0 354.878 3.276 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(Br)ccc1O ZINC000790749438 723173638 /nfs/dbraw/zinc/17/36/38/723173638.db2.gz DRUXHOFYPMAUEY-TVQRCGJNSA-N 1 0 366.263 3.278 20 10 FGCDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000792977745 723389013 /nfs/dbraw/zinc/38/90/13/723389013.db2.gz MSEVGNDPSDNZET-MOPGFXCFSA-N 1 0 364.555 3.226 20 10 FGCDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000793543450 723447716 /nfs/dbraw/zinc/44/77/16/723447716.db2.gz UIJHYEOVGXJRJP-INIZCTEOSA-N 1 0 352.544 3.226 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCOCC1 ZINC000765128944 723482871 /nfs/dbraw/zinc/48/28/71/723482871.db2.gz YVZCLRFBKPCVFI-BZUAXINKSA-N 1 0 350.478 3.344 20 10 FGCDRO C[C@H](CCC1CCCC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979606 723549720 /nfs/dbraw/zinc/54/97/20/723549720.db2.gz MILRQPWSJWIQLW-QGZVFWFLSA-N 1 0 364.555 3.370 20 10 FGCDRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981613 723549919 /nfs/dbraw/zinc/54/99/19/723549919.db2.gz XYDYFXQKTHKPTR-KRWDZBQOSA-N 1 0 352.544 3.226 20 10 FGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc4nsnc43)CC2)cc1 ZINC000766017166 723551508 /nfs/dbraw/zinc/55/15/08/723551508.db2.gz DFSIOYKHGLAFQA-UHFFFAOYSA-N 1 0 354.479 3.412 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1O ZINC000766225432 723562746 /nfs/dbraw/zinc/56/27/46/723562746.db2.gz PXJVPSRZOHKOFG-OAHLLOKOSA-N 1 0 369.303 3.270 20 10 FGCDRO CC(C)[NH+]1CCC(N2CCN(Cc3c(O)cccc3Cl)CC2)CC1 ZINC000769537533 723689165 /nfs/dbraw/zinc/68/91/65/723689165.db2.gz LTERCMJADNNZOM-UHFFFAOYSA-N 1 0 351.922 3.036 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000770389438 723712700 /nfs/dbraw/zinc/71/27/00/723712700.db2.gz WIEKWXWRTIRSKI-ZIAGYGMSSA-N 1 0 350.459 3.136 20 10 FGCDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000770668037 723718802 /nfs/dbraw/zinc/71/88/02/723718802.db2.gz UWILQOAIGQHAQB-ZDUSSCGKSA-N 1 0 350.413 3.045 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 ZINC000773082911 723776262 /nfs/dbraw/zinc/77/62/62/723776262.db2.gz XLXVXZWOBBPHLB-XLIONFOSSA-N 1 0 362.539 3.308 20 10 FGCDRO Oc1cc2c(cc1C[N@H+]1CC=C(c3ccc(Cl)nc3)CC1)[C@@H](O)CO2 ZINC000773252903 723780128 /nfs/dbraw/zinc/78/01/28/723780128.db2.gz SINIUJIRAQNEMH-KRWDZBQOSA-N 1 0 358.825 3.156 20 10 FGCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000775258818 723974184 /nfs/dbraw/zinc/97/41/84/723974184.db2.gz JZLIPGZQUYXFKK-CQSZACIVSA-N 1 0 360.479 3.222 20 10 FGCDRO COc1cc(Br)cc(CN(C)CCC[NH+]2CCCC2)c1O ZINC000798958091 723980088 /nfs/dbraw/zinc/98/00/88/723980088.db2.gz LZNMIEJFWQEMRR-UHFFFAOYSA-N 1 0 357.292 3.081 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000775738328 724034913 /nfs/dbraw/zinc/03/49/13/724034913.db2.gz ANNSUMRIPXRENT-UONOGXRCSA-N 1 0 350.459 3.136 20 10 FGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000776167203 724115463 /nfs/dbraw/zinc/11/54/63/724115463.db2.gz KOGFKGVVKBGFTC-SPLQCWDRSA-N 1 0 350.478 3.372 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000776252878 724124132 /nfs/dbraw/zinc/12/41/32/724124132.db2.gz ZWFIYBVAXOXICT-LBPRGKRZSA-N 1 0 364.804 3.088 20 10 FGCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2O)c1 ZINC000786579172 724989780 /nfs/dbraw/zinc/98/97/80/724989780.db2.gz MXEZFGMBEVACAX-QGZVFWFLSA-N 1 0 364.283 3.465 20 10 FGCDRO C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788817216 725089624 /nfs/dbraw/zinc/08/96/24/725089624.db2.gz XWCMHBSHVSUIGR-ZDUSSCGKSA-N 1 0 359.436 3.088 20 10 FGCDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000808695289 725213623 /nfs/dbraw/zinc/21/36/23/725213623.db2.gz KTURYAPTNXBHBX-IAGOWNOFSA-N 1 0 352.544 3.226 20 10 FGCDRO COc1cccc(C[C@H](C)[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000809713637 725261633 /nfs/dbraw/zinc/26/16/33/725261633.db2.gz VXSOCCPQSLQRRK-NSHDSACASA-N 1 0 351.244 3.279 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000809767541 725266616 /nfs/dbraw/zinc/26/66/16/725266616.db2.gz NMAVSKLBASQPBT-XJKSGUPXSA-N 1 0 353.304 3.379 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c1 ZINC000809772362 725267504 /nfs/dbraw/zinc/26/75/04/725267504.db2.gz ULANRFNVQXVLDK-BBRMVZONSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cc(Cl)ccc2O)cc1OC ZINC000810174076 725294565 /nfs/dbraw/zinc/29/45/65/725294565.db2.gz PKSDJWYLDVLCNN-LJQANCHMSA-N 1 0 365.857 3.146 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000810240586 725298983 /nfs/dbraw/zinc/29/89/83/725298983.db2.gz ZAPGSODPFVDISE-OLZOCXBDSA-N 1 0 364.433 3.319 20 10 FGCDRO CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(C(F)(F)F)cc1O ZINC000810240874 725299033 /nfs/dbraw/zinc/29/90/33/725299033.db2.gz HSXVKTHAGISXTM-HNNXBMFYSA-N 1 0 357.376 3.495 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(Br)ccc1O ZINC000810242312 725299261 /nfs/dbraw/zinc/29/92/61/725299261.db2.gz PNYJXOPSTAETMA-LLVKDONJSA-N 1 0 363.255 3.033 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000816676029 727188524 /nfs/dbraw/zinc/18/85/24/727188524.db2.gz QSTLNECXSUTLNS-OAHLLOKOSA-N 1 0 358.276 3.410 20 10 FGCDRO COCCc1nc(C)c([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817941378 727289050 /nfs/dbraw/zinc/28/90/50/727289050.db2.gz JPDQBNGDFHYXLP-SUMWQHHRSA-N 1 0 362.543 3.057 20 10 FGCDRO CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978782 727290087 /nfs/dbraw/zinc/29/00/87/727290087.db2.gz DKKZKPSLFDMYSC-APPZFPTMSA-N 1 0 366.097 3.305 20 10 FGCDRO CC[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000818351305 727308914 /nfs/dbraw/zinc/30/89/14/727308914.db2.gz QDOSWSALOASJMU-ZDUSSCGKSA-N 1 0 353.406 3.277 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818431432 727311139 /nfs/dbraw/zinc/31/11/39/727311139.db2.gz LYNCUZXRTKOFDN-ZDUSSCGKSA-N 1 0 353.304 3.427 20 10 FGCDRO C[C@@](O)(C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000819120100 727349553 /nfs/dbraw/zinc/34/95/53/727349553.db2.gz KRRTYWAEHGXWHO-IAQYHMDHSA-N 1 0 368.346 3.160 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000824203638 729323968 /nfs/dbraw/zinc/32/39/68/729323968.db2.gz WUXDPDAOWZQSDZ-GOSISDBHSA-N 1 0 353.495 3.423 20 10 FGCDRO CCOCCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824561043 729347460 /nfs/dbraw/zinc/34/74/60/729347460.db2.gz PLAZQQYWYUCZLF-UHFFFAOYSA-N 1 0 368.905 3.109 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1ccc(F)c(Br)c1 ZINC000825133315 729372349 /nfs/dbraw/zinc/37/23/49/729372349.db2.gz DAIGBNHPSNLAGR-ZDUSSCGKSA-N 1 0 368.246 3.235 20 10 FGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1(O)CCCC1 ZINC000825232089 729375290 /nfs/dbraw/zinc/37/52/90/729375290.db2.gz PQFNOUCLJKNQFP-UHFFFAOYSA-N 1 0 350.478 3.083 20 10 FGCDRO COC[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000825321516 729378729 /nfs/dbraw/zinc/37/87/29/729378729.db2.gz GDZPCVHTDXDEFK-LBPRGKRZSA-N 1 0 358.276 3.412 20 10 FGCDRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825451560 729383899 /nfs/dbraw/zinc/38/38/99/729383899.db2.gz XEWWZEBQHGOJHB-BTYIYWSLSA-N 1 0 368.296 3.364 20 10 FGCDRO CC1([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)OCCO1 ZINC000825501146 729385569 /nfs/dbraw/zinc/38/55/69/729385569.db2.gz LKVMWELQKMEGAN-CYBMUJFWSA-N 1 0 356.260 3.130 20 10 FGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000825887911 729398588 /nfs/dbraw/zinc/39/85/88/729398588.db2.gz XKGREWCNGBDSBG-CYBMUJFWSA-N 1 0 368.193 3.434 20 10 FGCDRO OC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@H]1C(F)(F)F ZINC000825887619 729398609 /nfs/dbraw/zinc/39/86/09/729398609.db2.gz VSAFRKXYYQJENN-CMPLNLGQSA-N 1 0 368.193 3.147 20 10 FGCDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc(Br)cc1O ZINC000826142547 729405867 /nfs/dbraw/zinc/40/58/67/729405867.db2.gz FDCFTMFQWUMCRW-CQSZACIVSA-N 1 0 363.255 3.021 20 10 FGCDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1cc(F)c(F)c(F)c1 ZINC000834783111 729833818 /nfs/dbraw/zinc/83/38/18/729833818.db2.gz CSGKMJNWCNKSOG-LRDDRELGSA-N 1 0 351.368 3.238 20 10 FGCDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1cc(F)c(F)c(F)c1 ZINC000834783110 729833936 /nfs/dbraw/zinc/83/39/36/729833936.db2.gz CSGKMJNWCNKSOG-BLLLJJGKSA-N 1 0 351.368 3.238 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000834798452 729834808 /nfs/dbraw/zinc/83/48/08/729834808.db2.gz GIGCYQWHIIJXLH-NQBHXWOUSA-N 1 0 360.483 3.046 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H](O)C(F)F ZINC000834875851 729840878 /nfs/dbraw/zinc/84/08/78/729840878.db2.gz UUHKJKRDWFGRCY-KNXALSJPSA-N 1 0 362.848 3.232 20 10 FGCDRO CC[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)ccc1O ZINC000834891054 729844155 /nfs/dbraw/zinc/84/41/55/729844155.db2.gz LVIRMMDJUMTAKZ-IJEWVQPXSA-N 1 0 369.303 3.059 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)c(F)cc1[O-] ZINC000840887550 730188421 /nfs/dbraw/zinc/18/84/21/730188421.db2.gz ZUGMUPDDRWNDJT-CQOUMUIBSA-N 1 0 368.193 3.493 20 10 FGCDRO CCOC(=O)C1(COC)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840940747 730194460 /nfs/dbraw/zinc/19/44/60/730194460.db2.gz DZZLRQPKVHWYLG-UHFFFAOYSA-N 1 0 355.862 3.146 20 10 FGCDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCc1ccc(N)cc1 ZINC000841036955 730205137 /nfs/dbraw/zinc/20/51/37/730205137.db2.gz XFURYOSODOWSPO-OAHLLOKOSA-N 1 0 359.901 3.492 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnc(-c3ccncc3)s2)cc1 ZINC000841046296 730205964 /nfs/dbraw/zinc/20/59/64/730205964.db2.gz ZLPGRLWDGFEVMV-GOSISDBHSA-N 1 0 353.495 3.061 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(Cl)cc1O ZINC000841743672 730269929 /nfs/dbraw/zinc/26/99/29/730269929.db2.gz BIKUKCBVXIKTFI-GFCCVEGCSA-N 1 0 368.886 3.147 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1F ZINC000841798738 730275308 /nfs/dbraw/zinc/27/53/08/730275308.db2.gz MXPQJIVEMFSILU-PBHICJAKSA-N 1 0 350.482 3.083 20 10 FGCDRO COc1cc(Br)cc(CN(CC[NH3+])Cc2ccccc2)c1O ZINC000843059934 730574989 /nfs/dbraw/zinc/57/49/89/730574989.db2.gz VLUXQOAYMPYLBH-UHFFFAOYSA-N 1 0 365.271 3.124 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)cc1 ZINC000843432014 730620741 /nfs/dbraw/zinc/62/07/41/730620741.db2.gz HQVTZVUMJNGARC-KRWDZBQOSA-N 1 0 357.420 3.033 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000843487318 730624351 /nfs/dbraw/zinc/62/43/51/730624351.db2.gz OIHMMCIDJYGCTR-VXGBXAGGSA-N 1 0 364.287 3.322 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(C(F)F)CC1 ZINC000843832946 730658796 /nfs/dbraw/zinc/65/87/96/730658796.db2.gz YXIRZPKWSPOJEI-ZDUSSCGKSA-N 1 0 358.816 3.172 20 10 FGCDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000844902223 730787104 /nfs/dbraw/zinc/78/71/04/730787104.db2.gz LYXUGKXPORDMOG-XFJVYGCCSA-N 1 0 359.297 3.417 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000846145353 730932018 /nfs/dbraw/zinc/93/20/18/730932018.db2.gz OAKPSFQMHWIZQW-ZIAGYGMSSA-N 1 0 350.459 3.451 20 10 FGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846157034 730932666 /nfs/dbraw/zinc/93/26/66/730932666.db2.gz ILFKDOUELJMVGZ-CABCVRRESA-N 1 0 363.479 3.304 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846162077 730933012 /nfs/dbraw/zinc/93/30/12/730933012.db2.gz AGTOSYGMVIFAHA-KGLIPLIRSA-N 1 0 350.459 3.308 20 10 FGCDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846477934 730958777 /nfs/dbraw/zinc/95/87/77/730958777.db2.gz XUWGDQRHYHFTLT-UHFFFAOYSA-N 1 0 359.857 3.282 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccnc2)c1O ZINC000848514433 731173734 /nfs/dbraw/zinc/17/37/34/731173734.db2.gz OHISNBLJZNAKSU-LLVKDONJSA-N 1 0 354.248 3.101 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c1O ZINC000848527919 731175473 /nfs/dbraw/zinc/17/54/73/731175473.db2.gz IFBSBFNOKMEYHB-GHMZBOCLSA-N 1 0 357.292 3.297 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c1O ZINC000848527921 731175496 /nfs/dbraw/zinc/17/54/96/731175496.db2.gz IFBSBFNOKMEYHB-QWRGUYRKSA-N 1 0 357.292 3.297 20 10 FGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848545950 731179221 /nfs/dbraw/zinc/17/92/21/731179221.db2.gz OAJIOGJEBVTLED-WDBKCZKBSA-N 1 0 374.275 3.008 20 10 FGCDRO COc1cc(C[NH2+]CCCOC[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000850013951 731309098 /nfs/dbraw/zinc/30/90/98/731309098.db2.gz DKFIWDBSANKFBD-MRXNPFEDSA-N 1 0 351.487 3.374 20 10 FGCDRO COc1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000850100878 731319344 /nfs/dbraw/zinc/31/93/44/731319344.db2.gz RGIGQBCSGDGUMR-ZDUSSCGKSA-N 1 0 360.420 3.425 20 10 FGCDRO COc1cncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000850137305 731324523 /nfs/dbraw/zinc/32/45/23/731324523.db2.gz MHNSNEAJHAJDPL-QGZVFWFLSA-N 1 0 361.873 3.203 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc([C@H]4CCCO4)s3)C2)cc1 ZINC000850347139 731345366 /nfs/dbraw/zinc/34/53/66/731345366.db2.gz OGZLSWNVCSBTST-KBXCAEBGSA-N 1 0 359.495 3.372 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000850376399 731349949 /nfs/dbraw/zinc/34/99/49/731349949.db2.gz IAJZHOAJYXVPPZ-FPLPWBNLSA-N 1 0 350.528 3.103 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)OCO2 ZINC000850397470 731352250 /nfs/dbraw/zinc/35/22/50/731352250.db2.gz FMYVYQSBLBOMBI-CQSZACIVSA-N 1 0 356.205 3.251 20 10 FGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCC1 ZINC000850426061 731355962 /nfs/dbraw/zinc/35/59/62/731355962.db2.gz ZSLDALDNNXIMNC-OAGGEKHMSA-N 1 0 350.478 3.487 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000850545544 731371695 /nfs/dbraw/zinc/37/16/95/731371695.db2.gz HBDLIVIYNPYCEN-CMPLNLGQSA-N 1 0 358.276 3.223 20 10 FGCDRO CCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557110 731372843 /nfs/dbraw/zinc/37/28/43/731372843.db2.gz UOWXDJJBHJCMKM-CVEARBPZSA-N 1 0 351.922 3.312 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1O ZINC000852036034 731536418 /nfs/dbraw/zinc/53/64/18/731536418.db2.gz SCOSCDZHEVRMOZ-JSGCOSHPSA-N 1 0 353.768 3.286 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000852754541 731630786 /nfs/dbraw/zinc/63/07/86/731630786.db2.gz UOFYABJOPBBZEF-HNNXBMFYSA-N 1 0 350.890 3.460 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1F ZINC000858098299 732180313 /nfs/dbraw/zinc/18/03/13/732180313.db2.gz KEERSXRRKFOVKA-UHFFFAOYSA-N 1 0 353.457 3.158 20 10 FGCDRO CC(C)OCC[NH+]1CCC(NCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858148062 732185997 /nfs/dbraw/zinc/18/59/97/732185997.db2.gz JVKBORXNFWTDMQ-UHFFFAOYSA-N 1 0 355.473 3.010 20 10 FGCDRO CCN(CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)CCC(F)(F)F ZINC000858160303 732187301 /nfs/dbraw/zinc/18/73/01/732187301.db2.gz HXNAKTVYRTTXND-UHFFFAOYSA-N 1 0 353.379 3.395 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(Cl)c1 ZINC000858237503 732195670 /nfs/dbraw/zinc/19/56/70/732195670.db2.gz AVBSSSVEARBXSO-UHFFFAOYSA-N 1 0 363.832 3.401 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000858284331 732200291 /nfs/dbraw/zinc/20/02/91/732200291.db2.gz FTHBULGWQYRYDB-KBPBESRZSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN(C)CC(F)F)c1O ZINC000858596487 732229981 /nfs/dbraw/zinc/22/99/81/732229981.db2.gz JABVMZSGMDGXGO-SECBINFHSA-N 1 0 367.234 3.011 20 10 FGCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862240737 732795503 /nfs/dbraw/zinc/79/55/03/732795503.db2.gz OIOZKNPISXRVKD-CYBMUJFWSA-N 1 0 367.287 3.132 20 10 FGCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@H]1C(F)(F)F ZINC000862364611 732816632 /nfs/dbraw/zinc/81/66/32/732816632.db2.gz FLDZITRSSBZHGD-GXSJLCMTSA-N 1 0 368.193 3.147 20 10 FGCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541133 732847520 /nfs/dbraw/zinc/84/75/20/732847520.db2.gz MRWSSMIRMUGGKB-LLVKDONJSA-N 1 0 358.866 3.399 20 10 FGCDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000865663147 733248565 /nfs/dbraw/zinc/24/85/65/733248565.db2.gz LKSNATDBNGKDAT-GASCZTMLSA-N 1 0 353.304 3.300 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](C)CC2(C)OCCO2)c1O ZINC000865675126 733250079 /nfs/dbraw/zinc/25/00/79/733250079.db2.gz UBJWZOKBNOJPFY-LLVKDONJSA-N 1 0 374.275 3.042 20 10 FGCDRO CCOc1cccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1O ZINC000865720676 733259209 /nfs/dbraw/zinc/25/92/09/733259209.db2.gz GBJRSVYZWMOFBJ-UHFFFAOYSA-N 1 0 359.495 3.029 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000865762082 733264530 /nfs/dbraw/zinc/26/45/30/733264530.db2.gz LERUAIIWWNKVSP-BLLLJJGKSA-N 1 0 370.287 3.458 20 10 FGCDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1Cc2cccc(O)c2C1 ZINC000875003593 735952466 /nfs/dbraw/zinc/95/24/66/735952466.db2.gz CERKLNLXTVLMCN-INIZCTEOSA-N 1 0 357.479 3.316 20 10 FGCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccsc1 ZINC000876913603 736162004 /nfs/dbraw/zinc/16/20/04/736162004.db2.gz RXHHYWGTZBPQNG-HXUWFJFHSA-N 1 0 359.539 3.102 20 10 FGCDRO Cc1cc(Cn2cc([C@H]([NH3+])c3ccc(Cl)cc3)nn2)ccc1N(C)C ZINC000881377278 737332002 /nfs/dbraw/zinc/33/20/02/737332002.db2.gz JNIAVALSWXMMSK-LJQANCHMSA-N 1 0 355.873 3.402 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000883353188 737556735 /nfs/dbraw/zinc/55/67/35/737556735.db2.gz PZDSKIQCJRVQET-RISCZKNCSA-N 1 0 358.276 3.458 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccc4c3CCOC4)SC2=S)CC1 ZINC000887272009 739351784 /nfs/dbraw/zinc/35/17/84/739351784.db2.gz FATMILPZNRYPOT-GZTJUZNOSA-N 1 0 374.531 3.055 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC23CCSCC3)[NH+](C)C)cc1 ZINC000891247847 739885964 /nfs/dbraw/zinc/88/59/64/739885964.db2.gz KTPZVZCUMPCHGD-ROUUACIJSA-N 1 0 361.555 3.005 20 10 FGCDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000892204332 739975440 /nfs/dbraw/zinc/97/54/40/739975440.db2.gz KJBAMJFGICXMME-CANCMXDXSA-N 1 0 363.479 3.340 20 10 FGCDRO COc1ccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)c(O)c1OC ZINC000893668152 742183985 /nfs/dbraw/zinc/18/39/85/742183985.db2.gz IQAQWMWDESKRSW-UHFFFAOYSA-N 1 0 361.829 3.239 20 10 FGCDRO COc1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c(O)c1OC ZINC000894622772 742310272 /nfs/dbraw/zinc/31/02/72/742310272.db2.gz CKCGIWLMZSPZDW-UHFFFAOYSA-N 1 0 356.344 3.156 20 10 FGCDRO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccccc1O ZINC000895459694 742414501 /nfs/dbraw/zinc/41/45/01/742414501.db2.gz GEVVBIMVUKDYCC-LLVKDONJSA-N 1 0 353.875 3.190 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000895459093 742414684 /nfs/dbraw/zinc/41/46/84/742414684.db2.gz XISSGHOWYAMOIG-OTVXOJSOSA-N 1 0 350.459 3.102 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1O ZINC000895822582 742457744 /nfs/dbraw/zinc/45/77/44/742457744.db2.gz ORFIVVHAAMGIJY-ZLHQLQKESA-N 1 0 355.862 3.116 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1O ZINC000895822575 742457769 /nfs/dbraw/zinc/45/77/69/742457769.db2.gz ORFIVVHAAMGIJY-NZRMSGFPSA-N 1 0 355.862 3.116 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895837098 742460394 /nfs/dbraw/zinc/46/03/94/742460394.db2.gz RGCAALAXRSWOKH-CYBMUJFWSA-N 1 0 368.193 3.210 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1F ZINC000897260771 742660126 /nfs/dbraw/zinc/66/01/26/742660126.db2.gz MXLNWODGXRIKDS-QGZVFWFLSA-N 1 0 350.478 3.178 20 10 FGCDRO COC(C)(C)c1nsc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897522751 742685517 /nfs/dbraw/zinc/68/55/17/742685517.db2.gz OEBAUMPVQXTNPE-HNNXBMFYSA-N 1 0 363.531 3.200 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@](C)(CO)c2cccc(Br)c2)c1 ZINC000898168517 742752351 /nfs/dbraw/zinc/75/23/51/742752351.db2.gz IAESQIAWFCVHDF-QGZVFWFLSA-N 1 0 366.255 3.161 20 10 FGCDRO Cc1cc(F)ncc1/C=C1\SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000899260430 742900692 /nfs/dbraw/zinc/90/06/92/742900692.db2.gz GRHGRIFGMWWVRB-QPEQYQDCSA-N 1 0 367.515 3.318 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000903153528 743813732 /nfs/dbraw/zinc/81/37/32/743813732.db2.gz GFFQHKSGSITACE-XZNOPERXSA-N 1 0 355.475 3.273 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1C ZINC000903433915 743850345 /nfs/dbraw/zinc/85/03/45/743850345.db2.gz GXVBGFASOVQVHM-CHWSQXEVSA-N 1 0 362.861 3.088 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000903479235 743855105 /nfs/dbraw/zinc/85/51/05/743855105.db2.gz KKADTTGAVMUOAK-VXGBXAGGSA-N 1 0 350.260 3.325 20 10 FGCDRO OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924717427 759375400 /nfs/dbraw/zinc/37/54/00/759375400.db2.gz URQWGNAKYFQNRL-IEBWSBKVSA-N 1 0 350.478 3.083 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925860042 759562999 /nfs/dbraw/zinc/56/29/99/759562999.db2.gz YWDUFOSYKZVPQH-MNOVXSKESA-N 1 0 373.280 3.035 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(F)ccc1O ZINC000926986144 759868735 /nfs/dbraw/zinc/86/87/35/759868735.db2.gz GNAWVBCYAMWXSM-MPESAESLSA-N 1 0 350.434 3.295 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000779033795 724383081 /nfs/dbraw/zinc/38/30/81/724383081.db2.gz ZVGZBTJDTHKDNY-DGCLKSJQSA-N 1 0 355.276 3.123 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000048780543 493846058 /nfs/dbraw/zinc/84/60/58/493846058.db2.gz LRKBZFSBPSTRMV-OAHLLOKOSA-N 1 0 362.495 3.105 20 10 FGCDRO C[C@@H](Sc1nccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000052914398 494076322 /nfs/dbraw/zinc/07/63/22/494076322.db2.gz OGTMMXDAYMGDQA-CQSZACIVSA-N 1 0 361.536 3.405 20 10 FGCDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000073130701 494325827 /nfs/dbraw/zinc/32/58/27/494325827.db2.gz AYNOKSHXUUHBHA-UHFFFAOYSA-N 1 0 370.472 3.128 20 10 FGCDRO COc1ccc(N2CCC[N@H+](Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000092380816 494609667 /nfs/dbraw/zinc/60/96/67/494609667.db2.gz BSRDRVQKCNMCFL-UHFFFAOYSA-N 1 0 363.465 3.193 20 10 FGCDRO COc1cccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1O ZINC000092533834 494661696 /nfs/dbraw/zinc/66/16/96/494661696.db2.gz RFDYUVNBUMMVKH-UHFFFAOYSA-N 1 0 366.461 3.202 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000092644820 494692734 /nfs/dbraw/zinc/69/27/34/494692734.db2.gz QFSPTROXPTVEJP-UHFFFAOYSA-N 1 0 360.498 3.452 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCN[C@@H](C)c3nccs3)CC2)cc1 ZINC000093370513 494881289 /nfs/dbraw/zinc/88/12/89/494881289.db2.gz RAMIWXSIZIEAFV-INIZCTEOSA-N 1 0 360.527 3.015 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)OCO2 ZINC000117325996 494910112 /nfs/dbraw/zinc/91/01/12/494910112.db2.gz TZXUWHWVYFXERQ-UHFFFAOYSA-N 1 0 357.250 3.438 20 10 FGCDRO C[C@H]1C[C@@H](CNC(=O)N(C)Cc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC000119324538 495141944 /nfs/dbraw/zinc/14/19/44/495141944.db2.gz LVZBSOFJAIQNOY-HKUYNNGSSA-N 1 0 367.493 3.444 20 10 FGCDRO OC1(c2ccccc2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000185641271 495657632 /nfs/dbraw/zinc/65/76/32/495657632.db2.gz YNIOGMYHOIZXKN-UHFFFAOYSA-N 1 0 352.478 3.007 20 10 FGCDRO CC[N@H+](Cc1cn2cccnc2n1)Cc1cc(Br)ccc1O ZINC000173992977 495780643 /nfs/dbraw/zinc/78/06/43/495780643.db2.gz CGLGAIFFDWYTFD-UHFFFAOYSA-N 1 0 361.243 3.220 20 10 FGCDRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(Br)cc1O ZINC000186074608 495846370 /nfs/dbraw/zinc/84/63/70/495846370.db2.gz VIMRBSRODZPYGU-GFCCVEGCSA-N 1 0 358.276 3.391 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000183146347 495853812 /nfs/dbraw/zinc/85/38/12/495853812.db2.gz FRZIDMIDQGEBOX-XDHUDOTRSA-N 1 0 365.882 3.458 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000186144112 495872559 /nfs/dbraw/zinc/87/25/59/495872559.db2.gz YLKJELGONYLXAV-SKDRFNHKSA-N 1 0 350.768 3.250 20 10 FGCDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000151547499 495874211 /nfs/dbraw/zinc/87/42/11/495874211.db2.gz VFXRAEPBQMZYGH-OAHLLOKOSA-N 1 0 360.477 3.415 20 10 FGCDRO Cc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1 ZINC000186350142 495958849 /nfs/dbraw/zinc/95/88/49/495958849.db2.gz GSPGRLYGJDEFSI-HNAYVOBHSA-N 1 0 353.466 3.323 20 10 FGCDRO OCc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000174621714 496035927 /nfs/dbraw/zinc/03/59/27/496035927.db2.gz FWIQFHPUAJTUAB-CYBMUJFWSA-N 1 0 352.381 3.132 20 10 FGCDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1O ZINC000183595677 496042157 /nfs/dbraw/zinc/04/21/57/496042157.db2.gz JLGUZHTWKYHZDQ-MRXNPFEDSA-N 1 0 374.506 3.144 20 10 FGCDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180787864 496147119 /nfs/dbraw/zinc/14/71/19/496147119.db2.gz PNINUNZBCYHLLM-XAVKZTDYSA-N 1 0 366.461 3.453 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000181220130 496316390 /nfs/dbraw/zinc/31/63/90/496316390.db2.gz PXAPOBWHALCQAG-UHFFFAOYSA-N 1 0 354.454 3.245 20 10 FGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157024546 496388943 /nfs/dbraw/zinc/38/89/43/496388943.db2.gz JSWMEGGZKIBZIG-KUHUBIRLSA-N 1 0 364.486 3.282 20 10 FGCDRO COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccc(F)c(F)c1 ZINC000181447501 496400347 /nfs/dbraw/zinc/40/03/47/496400347.db2.gz BTVJKRPDEJRZQL-KRWDZBQOSA-N 1 0 353.340 3.489 20 10 FGCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCC2 ZINC000181563023 496448162 /nfs/dbraw/zinc/44/81/62/496448162.db2.gz XJSFBDUAYJQPIF-PMACEKPBSA-N 1 0 362.489 3.224 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679123 496542922 /nfs/dbraw/zinc/54/29/22/496542922.db2.gz OJNOUCGRGFIABG-PKOBYXMFSA-N 1 0 357.542 3.315 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3ccccc3O)c2)CC1 ZINC000184898850 496576343 /nfs/dbraw/zinc/57/63/43/496576343.db2.gz LDUHKUXPICLLIZ-UHFFFAOYSA-N 1 0 368.481 3.198 20 10 FGCDRO CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000185014210 496623182 /nfs/dbraw/zinc/62/31/82/496623182.db2.gz NPELRYZYVSXOCO-ZDUSSCGKSA-N 1 0 360.329 3.377 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000268759504 496775992 /nfs/dbraw/zinc/77/59/92/496775992.db2.gz MSBNRSWJCSPLEK-QGZVFWFLSA-N 1 0 354.498 3.225 20 10 FGCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000273349251 496781214 /nfs/dbraw/zinc/78/12/14/496781214.db2.gz CEDLNZUBLWZKLS-KRWDZBQOSA-N 1 0 358.530 3.159 20 10 FGCDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)ccc1OCC(=O)N(C)C ZINC000273420090 496801393 /nfs/dbraw/zinc/80/13/93/496801393.db2.gz RWWQZXOPQRINBH-HNNXBMFYSA-N 1 0 372.465 3.027 20 10 FGCDRO CC[N@H+](C)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000574892084 505876829 /nfs/dbraw/zinc/87/68/29/505876829.db2.gz FFDASHIOVXWJJY-FQEVSTJZSA-N 1 0 353.466 3.171 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC000264942617 497015582 /nfs/dbraw/zinc/01/55/82/497015582.db2.gz GZDXCHUPZKVRPL-UHFFFAOYSA-N 1 0 358.438 3.034 20 10 FGCDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(Br)ccc1O ZINC000274422377 497095031 /nfs/dbraw/zinc/09/50/31/497095031.db2.gz UHVGUXTVGOGBTG-SNVBAGLBSA-N 1 0 368.300 3.350 20 10 FGCDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000237199747 497203083 /nfs/dbraw/zinc/20/30/83/497203083.db2.gz AMWCUZIHBDOJAS-HXUWFJFHSA-N 1 0 367.493 3.163 20 10 FGCDRO CCCCOc1ncccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278854893 497243603 /nfs/dbraw/zinc/24/36/03/497243603.db2.gz LJLVCEGKYHSGAF-UHFFFAOYSA-N 1 0 361.398 3.173 20 10 FGCDRO CN(C)c1ccc(C[N@H+](Cc2cnc(N3CCOCC3)s2)C2CC2)cc1 ZINC000271046102 497252904 /nfs/dbraw/zinc/25/29/04/497252904.db2.gz LSTUQRSYDUXKEZ-UHFFFAOYSA-N 1 0 372.538 3.210 20 10 FGCDRO Nc1ccc(CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000237899767 497310849 /nfs/dbraw/zinc/31/08/49/497310849.db2.gz QIWFYSBPGNYHEC-UHFFFAOYSA-N 1 0 371.912 3.493 20 10 FGCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(-n2cc(Cl)cn2)n1 ZINC000190310224 497432300 /nfs/dbraw/zinc/43/23/00/497432300.db2.gz KJOWGKDHMSFDDR-UHFFFAOYSA-N 1 0 354.841 3.454 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000271780128 497446977 /nfs/dbraw/zinc/44/69/77/497446977.db2.gz HLZFTCZKHPAGNZ-ZDUSSCGKSA-N 1 0 374.403 3.024 20 10 FGCDRO C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272301855 497590653 /nfs/dbraw/zinc/59/06/53/497590653.db2.gz IWPXJAUSEUEFGH-VQIMIIECSA-N 1 0 353.466 3.102 20 10 FGCDRO CNC(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280119978 497655581 /nfs/dbraw/zinc/65/55/81/497655581.db2.gz COGSMEYYXOEFKU-UHFFFAOYSA-N 1 0 357.420 3.120 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000246295589 497687774 /nfs/dbraw/zinc/68/77/74/497687774.db2.gz CSFCJKPCSUJCKJ-HQRMLTQVSA-N 1 0 362.539 3.229 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000272701915 497706287 /nfs/dbraw/zinc/70/62/87/497706287.db2.gz WJLHVRZJUMOZFC-SOFGYWHQSA-N 1 0 358.482 3.226 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1F ZINC000277048025 497726246 /nfs/dbraw/zinc/72/62/46/497726246.db2.gz PXWGXPUCYBWYMO-UHFFFAOYSA-N 1 0 370.877 3.238 20 10 FGCDRO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033789 497898495 /nfs/dbraw/zinc/89/84/95/497898495.db2.gz QGEJLMMWMFGWRH-OXQOHEQNSA-N 1 0 352.478 3.390 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000284856151 497923032 /nfs/dbraw/zinc/92/30/32/497923032.db2.gz AJDVWFHWZAWDPY-INIZCTEOSA-N 1 0 356.466 3.375 20 10 FGCDRO COc1ccc([C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N2CCOCC2)cc1 ZINC000296129367 497930980 /nfs/dbraw/zinc/93/09/80/497930980.db2.gz VRKHJCQQYGUJLR-WOJBJXKFSA-N 1 0 368.477 3.051 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280886072 497936418 /nfs/dbraw/zinc/93/64/18/497936418.db2.gz ORYIENBSNWOCIS-JQHSSLGASA-N 1 0 350.478 3.112 20 10 FGCDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC000364449874 497964115 /nfs/dbraw/zinc/96/41/15/497964115.db2.gz SUPADRJPMWEBIM-SFHVURJKSA-N 1 0 373.250 3.251 20 10 FGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000569687012 505994193 /nfs/dbraw/zinc/99/41/93/505994193.db2.gz VLUJCCBOWIOMSA-UHFFFAOYSA-N 1 0 353.441 3.217 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000289597411 498210514 /nfs/dbraw/zinc/21/05/14/498210514.db2.gz ABPJOFDLXXVTEA-QFIPXVFZSA-N 1 0 369.509 3.120 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000281806029 498276615 /nfs/dbraw/zinc/27/66/15/498276615.db2.gz YQEPGRKQHHRDAC-RYUDHWBXSA-N 1 0 355.276 3.125 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3nc4ccccc4[nH]3)cc2F)CC1 ZINC000301865020 498300896 /nfs/dbraw/zinc/30/08/96/498300896.db2.gz GXPWOAVORXDESI-UHFFFAOYSA-N 1 0 353.445 3.456 20 10 FGCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC000281927045 498321627 /nfs/dbraw/zinc/32/16/27/498321627.db2.gz ZMPRSZJOCCMUBX-RUZDIDTESA-N 1 0 359.491 3.362 20 10 FGCDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)s2)cn1 ZINC000282272453 498448054 /nfs/dbraw/zinc/44/80/54/498448054.db2.gz OVFJQARMWHGHKO-UHFFFAOYSA-N 1 0 368.506 3.275 20 10 FGCDRO C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000290209558 498465517 /nfs/dbraw/zinc/46/55/17/498465517.db2.gz HGBCBMWTRHOVEU-ZDUSSCGKSA-N 1 0 365.424 3.247 20 10 FGCDRO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000293896797 498526613 /nfs/dbraw/zinc/52/66/13/498526613.db2.gz KTEDWQXAUMKOAV-INIZCTEOSA-N 1 0 359.491 3.316 20 10 FGCDRO O[C@H]1[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC12CCOCC2 ZINC000282699112 498617209 /nfs/dbraw/zinc/61/72/09/498617209.db2.gz LWKVNHIFVQJMNO-FPOVZHCZSA-N 1 0 358.526 3.334 20 10 FGCDRO Cc1nc(CN2CCC(C[NH2+][C@H]3CCc4cccc(O)c43)CC2)oc1C ZINC000297955407 498621538 /nfs/dbraw/zinc/62/15/38/498621538.db2.gz YYMWEBHWNPEPQV-SFHVURJKSA-N 1 0 355.482 3.486 20 10 FGCDRO CCCCOCCOCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000363156821 498678361 /nfs/dbraw/zinc/67/83/61/498678361.db2.gz UCICFWIDFFVTQT-UHFFFAOYSA-N 1 0 350.503 3.087 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000287425233 498751084 /nfs/dbraw/zinc/75/10/84/498751084.db2.gz SMVOAXUCVKZPFC-HUUCEWRRSA-N 1 0 358.438 3.062 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287612019 498813891 /nfs/dbraw/zinc/81/38/91/498813891.db2.gz JIMJXVQNGJTIIN-BLLLJJGKSA-N 1 0 360.329 3.376 20 10 FGCDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000366233562 498834745 /nfs/dbraw/zinc/83/47/45/498834745.db2.gz RMDFSTMMRGPAGF-SJLPKXTDSA-N 1 0 372.488 3.395 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000294949250 498859664 /nfs/dbraw/zinc/85/96/64/498859664.db2.gz MKIQHCUTHVRMMJ-GOSISDBHSA-N 1 0 354.498 3.405 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000294966292 498865237 /nfs/dbraw/zinc/86/52/37/498865237.db2.gz LIJRHVHYYWWZKF-SFHVURJKSA-N 1 0 374.525 3.465 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000363859470 499027799 /nfs/dbraw/zinc/02/77/99/499027799.db2.gz SJWWOYVPOXVNOF-GOEBONIOSA-N 1 0 356.470 3.276 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)c(O)c1C ZINC000363860959 499029328 /nfs/dbraw/zinc/02/93/28/499029328.db2.gz VXMWMMSPONPHCQ-SQGPQFPESA-N 1 0 356.514 3.476 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000363862385 499029564 /nfs/dbraw/zinc/02/95/64/499029564.db2.gz ITIAZRLUGWPIIF-SJLPKXTDSA-N 1 0 355.482 3.359 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000363862383 499029626 /nfs/dbraw/zinc/02/96/26/499029626.db2.gz ITIAZRLUGWPIIF-AEFFLSMTSA-N 1 0 355.482 3.359 20 10 FGCDRO COCC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)Cc1cccnc1 ZINC000295684981 499079926 /nfs/dbraw/zinc/07/99/26/499079926.db2.gz HODDKOBRRRUWHX-UHFFFAOYSA-N 1 0 369.509 3.345 20 10 FGCDRO COC1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)cc2)CC1 ZINC000295724568 499088785 /nfs/dbraw/zinc/08/87/85/499088785.db2.gz HIICHLHZOWCJPF-PGRDOPGGSA-N 1 0 357.542 3.360 20 10 FGCDRO COC1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)[C@@H]3C)cc2)CC1 ZINC000295724563 499089045 /nfs/dbraw/zinc/08/90/45/499089045.db2.gz HIICHLHZOWCJPF-AVRDEDQJSA-N 1 0 357.542 3.360 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1O ZINC000367085843 499146616 /nfs/dbraw/zinc/14/66/16/499146616.db2.gz RNIDMSQSHCSWDX-MLGOLLRUSA-N 1 0 360.841 3.336 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000369910977 499150830 /nfs/dbraw/zinc/15/08/30/499150830.db2.gz WPORSPUQHLUPFA-ODYMNIRHSA-N 1 0 360.479 3.475 20 10 FGCDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)C1 ZINC000367354239 499187021 /nfs/dbraw/zinc/18/70/21/499187021.db2.gz UCHLJTJGXZPIFX-INIZCTEOSA-N 1 0 361.505 3.362 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367376459 499191071 /nfs/dbraw/zinc/19/10/71/499191071.db2.gz ATXLZXUNYYLGQS-BQFCYCMXSA-N 1 0 360.477 3.121 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000367413778 499196013 /nfs/dbraw/zinc/19/60/13/499196013.db2.gz WECNNSNEPWIREJ-DYESRHJHSA-N 1 0 371.525 3.107 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c(O)c1 ZINC000370374133 499214378 /nfs/dbraw/zinc/21/43/78/499214378.db2.gz MLNSJBCMTXBNQS-IEBWSBKVSA-N 1 0 352.478 3.442 20 10 FGCDRO Nc1ccc(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000370763626 499252168 /nfs/dbraw/zinc/25/21/68/499252168.db2.gz NAHLAGZJBGFCPN-QHCPKHFHSA-N 1 0 363.505 3.326 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000368228682 499276116 /nfs/dbraw/zinc/27/61/16/499276116.db2.gz YURGMCPINICNNF-INIZCTEOSA-N 1 0 371.872 3.023 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c1 ZINC000372436591 499434746 /nfs/dbraw/zinc/43/47/46/499434746.db2.gz ULZNJGMPFSRITE-OAHLLOKOSA-N 1 0 357.454 3.107 20 10 FGCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000373232984 499459084 /nfs/dbraw/zinc/45/90/84/499459084.db2.gz RTJKMRARPGXDKM-GFCCVEGCSA-N 1 0 350.260 3.268 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccnc(C)n2)C1=O)c1ccc(C)cc1O ZINC000373519340 499474621 /nfs/dbraw/zinc/47/46/21/499474621.db2.gz IWBVVPUEPDLQQP-RTBURBONSA-N 1 0 368.481 3.031 20 10 FGCDRO C[C@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000373520700 499474644 /nfs/dbraw/zinc/47/46/44/499474644.db2.gz ISFMEFGYJCGSMS-OCDPCBSRSA-N 1 0 357.542 3.315 20 10 FGCDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000378378356 499509040 /nfs/dbraw/zinc/50/90/40/499509040.db2.gz PQMLICYMUHAFDA-FCHUYYIVSA-N 1 0 368.525 3.499 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)ccc1O ZINC000376302012 499598860 /nfs/dbraw/zinc/59/88/60/499598860.db2.gz IMHAVCFCUQIZAB-GHJWDPDVSA-N 1 0 356.260 3.143 20 10 FGCDRO COc1ccc(O)c([C@@H](C)N2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000377681004 499719228 /nfs/dbraw/zinc/71/92/28/499719228.db2.gz NYNNNIFJYAWANI-DIOULYMOSA-N 1 0 359.426 3.184 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3[C@H](C)CC[NH2+][C@@H]3C)ccc21 ZINC000582553641 506291980 /nfs/dbraw/zinc/29/19/80/506291980.db2.gz OWYZFPCVRCLWMS-WAWZGNHOSA-N 1 0 357.498 3.021 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCC[N@H+](C)C(C)C)ccc21 ZINC000484727707 502722933 /nfs/dbraw/zinc/72/29/33/502722933.db2.gz JJRHJAXTPLAPBT-UHFFFAOYSA-N 1 0 359.514 3.365 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528151743 504093787 /nfs/dbraw/zinc/09/37/87/504093787.db2.gz UXRNKWCOILMJDV-HOCLYGCPSA-N 1 0 361.486 3.168 20 10 FGCDRO Cc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000564959787 505563148 /nfs/dbraw/zinc/56/31/48/505563148.db2.gz YQEFSRQOSMXQGG-AWEZNQCLSA-N 1 0 370.478 3.307 20 10 FGCDRO CCC[N@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccccc1O ZINC000736479848 598763893 /nfs/dbraw/zinc/76/38/93/598763893.db2.gz JWZTZBJDIRNRAP-UHFFFAOYSA-N 1 0 362.437 3.237 20 10 FGCDRO COc1cc(C)cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000826178336 607846538 /nfs/dbraw/zinc/84/65/38/607846538.db2.gz TVLQAQFPVMXIMP-UHFFFAOYSA-N 1 0 365.437 3.054 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N(C)C)cc1 ZINC000825141811 608284068 /nfs/dbraw/zinc/28/40/68/608284068.db2.gz PXSXZGHPNRXCNB-GOSISDBHSA-N 1 0 354.433 3.313 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000825147674 608285884 /nfs/dbraw/zinc/28/58/84/608285884.db2.gz LGRZJQBEYWTOGG-GOSISDBHSA-N 1 0 366.469 3.182 20 10 FGCDRO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571619 695619456 /nfs/dbraw/zinc/61/94/56/695619456.db2.gz BXYBOPHAIXGONG-CQSZACIVSA-N 1 0 357.420 3.176 20 10 FGCDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090882650 700408079 /nfs/dbraw/zinc/40/80/79/700408079.db2.gz SVXDMTFFVQNXHX-OAHLLOKOSA-N 1 0 368.518 3.291 20 10 FGCDRO C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCCCCC1 ZINC000118775887 700614665 /nfs/dbraw/zinc/61/46/65/700614665.db2.gz IBKYRGJMLUESMF-KRWDZBQOSA-N 1 0 361.555 3.121 20 10 FGCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000127155204 700758159 /nfs/dbraw/zinc/75/81/59/700758159.db2.gz XDRXFFPOINGECD-CABCVRRESA-N 1 0 356.507 3.290 20 10 FGCDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000127276206 700759730 /nfs/dbraw/zinc/75/97/30/700759730.db2.gz RUZOALCIJNDORJ-LFPIHBKWSA-N 1 0 372.962 3.374 20 10 FGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000130821254 700806827 /nfs/dbraw/zinc/80/68/27/700806827.db2.gz RRBUVWFYOAQNNB-UHFFFAOYSA-N 1 0 371.275 3.207 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000136154964 704858820 /nfs/dbraw/zinc/85/88/20/704858820.db2.gz XSMXFBVOFYZQCM-LJQANCHMSA-N 1 0 364.848 3.139 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1ccc(OC(F)(F)F)cc1 ZINC000136496205 704862177 /nfs/dbraw/zinc/86/21/77/704862177.db2.gz QIHRWOXVJBGFHB-AWEZNQCLSA-N 1 0 355.356 3.232 20 10 FGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000179562069 705705416 /nfs/dbraw/zinc/70/54/16/705705416.db2.gz NKAAUHVQUWSCDG-OAHLLOKOSA-N 1 0 355.356 3.283 20 10 FGCDRO C[C@@H](CCNC(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000181982639 705820823 /nfs/dbraw/zinc/82/08/23/705820823.db2.gz KFIDTRSSCAQARD-AWEZNQCLSA-N 1 0 356.561 3.189 20 10 FGCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000182555280 705850265 /nfs/dbraw/zinc/85/02/65/705850265.db2.gz GNZUYIXDVRSXGL-OAHLLOKOSA-N 1 0 350.528 3.450 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000185319862 712691790 /nfs/dbraw/zinc/69/17/90/712691790.db2.gz QMJVKRGWHHPPEK-CYBMUJFWSA-N 1 0 350.459 3.451 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000246890356 713632352 /nfs/dbraw/zinc/63/23/52/713632352.db2.gz DTYVBZRYJADJRZ-CWFSZBLJSA-N 1 0 350.478 3.254 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382477157 713979927 /nfs/dbraw/zinc/97/99/27/713979927.db2.gz UGJSHRBYJZFDTJ-ZFWWWQNUSA-N 1 0 350.459 3.184 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000385626052 713983812 /nfs/dbraw/zinc/98/38/12/713983812.db2.gz PXIXTUJXBBIRRR-UHFFFAOYSA-N 1 0 351.292 3.282 20 10 FGCDRO CN(Cc1c(O)cccc1Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779225705 724400818 /nfs/dbraw/zinc/40/08/18/724400818.db2.gz VCPLWBBYLSMBJV-FQEVSTJZSA-N 1 0 360.885 3.114 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769990621 723702642 /nfs/dbraw/zinc/70/26/42/723702642.db2.gz VKGBJXLVWIGBCQ-SUMWQHHRSA-N 1 0 350.459 3.108 20 10 FGCDRO COCc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000782143922 724631578 /nfs/dbraw/zinc/63/15/78/724631578.db2.gz YQLPGABJXSMMKH-HNNXBMFYSA-N 1 0 362.861 3.059 20 10 FGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2cc(Br)ccc21 ZINC000662469343 720431766 /nfs/dbraw/zinc/43/17/66/720431766.db2.gz SLGXQOQLLWMDCB-UHFFFAOYSA-N 1 0 357.251 3.298 20 10 FGCDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000717101634 722417558 /nfs/dbraw/zinc/41/75/58/722417558.db2.gz VZAZGSAWOFDTSG-AWEZNQCLSA-N 1 0 356.413 3.374 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734843231 722510464 /nfs/dbraw/zinc/51/04/64/722510464.db2.gz HJPWESFWZRKEPQ-QZTJIDSGSA-N 1 0 352.400 3.377 20 10 FGCDRO COc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1O ZINC000734843025 722510480 /nfs/dbraw/zinc/51/04/80/722510480.db2.gz BSTXKMFKNKQMLN-WMLDXEAASA-N 1 0 355.356 3.025 20 10 FGCDRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000734844123 722510491 /nfs/dbraw/zinc/51/04/91/722510491.db2.gz VEXDIHCNWCPDQQ-AEFFLSMTSA-N 1 0 351.368 3.246 20 10 FGCDRO Nc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000746291779 722597439 /nfs/dbraw/zinc/59/74/39/722597439.db2.gz NGTMTUNQHPBQPT-LJQANCHMSA-N 1 0 357.885 3.418 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c(O)c1 ZINC000756442280 722964750 /nfs/dbraw/zinc/96/47/50/722964750.db2.gz DPZUYZVHCOQAJU-OAHLLOKOSA-N 1 0 362.495 3.238 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCc3sccc3C2)c1 ZINC000756509666 722965915 /nfs/dbraw/zinc/96/59/15/722965915.db2.gz LKBZPLVDFUHNIN-CYBMUJFWSA-N 1 0 360.479 3.088 20 10 FGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000756529256 722966232 /nfs/dbraw/zinc/96/62/32/722966232.db2.gz QOVBMGMDUSVDOH-ZYHUDNBSSA-N 1 0 357.248 3.036 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(O)c1C ZINC000756555733 722966819 /nfs/dbraw/zinc/96/68/19/722966819.db2.gz LYEOVXWWWWZTMV-OAHLLOKOSA-N 1 0 363.479 3.142 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000756582421 722967202 /nfs/dbraw/zinc/96/72/02/722967202.db2.gz INUUUXAFIIXHFW-IYOUNJFTSA-N 1 0 356.457 3.458 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)ccc1O ZINC000756661326 722968447 /nfs/dbraw/zinc/96/84/47/722968447.db2.gz QVAUSFPPJWVVBL-NEPJUHHUSA-N 1 0 354.244 3.250 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000757694670 722978398 /nfs/dbraw/zinc/97/83/98/722978398.db2.gz XPUCGOSVBXNXNW-UHFFFAOYSA-N 1 0 358.507 3.152 20 10 FGCDRO c1ccc(CN2CCSC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000758478058 722990520 /nfs/dbraw/zinc/99/05/20/722990520.db2.gz DUWUKJMWBFMLOQ-FQEVSTJZSA-N 1 0 354.519 3.329 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCCCSc1nccs1)c1ccsc1 ZINC000759561217 723008994 /nfs/dbraw/zinc/00/89/94/723008994.db2.gz PRZJZEDRHWWDEN-ZDUSSCGKSA-N 1 0 370.569 3.289 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000792984287 723389617 /nfs/dbraw/zinc/38/96/17/723389617.db2.gz SOAFOARKTWBFMG-MRXNPFEDSA-N 1 0 352.400 3.465 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c(C(F)(F)F)c1 ZINC000793087486 723399052 /nfs/dbraw/zinc/39/90/52/723399052.db2.gz YPZMRCDJQKJQJL-UHFFFAOYSA-N 1 0 370.444 3.406 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1F ZINC000793208408 723411262 /nfs/dbraw/zinc/41/12/62/723411262.db2.gz ZJNVDCCDNRCYQB-UHFFFAOYSA-N 1 0 369.282 3.421 20 10 FGCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000765263930 723499229 /nfs/dbraw/zinc/49/92/29/723499229.db2.gz ZVVDTXGCPATAAZ-RBUKOAKNSA-N 1 0 350.478 3.346 20 10 FGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1C ZINC000796501359 723640567 /nfs/dbraw/zinc/64/05/67/723640567.db2.gz CBPATEMSSJGVDL-UHFFFAOYSA-N 1 0 361.873 3.380 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000796529240 723641780 /nfs/dbraw/zinc/64/17/80/723641780.db2.gz MXXNFMIHECAOSC-OLZOCXBDSA-N 1 0 362.499 3.170 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CSc3ccccc3)C1)[C@@H](O)CO2 ZINC000768466142 723658376 /nfs/dbraw/zinc/65/83/76/723658376.db2.gz MUAIUAUUJIUPJH-KUHUBIRLSA-N 1 0 357.475 3.432 20 10 FGCDRO CCOc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c(O)c1 ZINC000769460464 723686203 /nfs/dbraw/zinc/68/62/03/723686203.db2.gz IPVBNYZMWZEUQA-UHFFFAOYSA-N 1 0 361.873 3.157 20 10 FGCDRO CC[N@H+](Cc1cnc(N(C)C)nc1)Cc1cc(Br)ccc1O ZINC000769541313 723689347 /nfs/dbraw/zinc/68/93/47/723689347.db2.gz UIOYTQXEVITLEH-UHFFFAOYSA-N 1 0 365.275 3.033 20 10 FGCDRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000771054270 723726706 /nfs/dbraw/zinc/72/67/06/723726706.db2.gz URUCOZYECHSIJV-GWCFXTLKSA-N 1 0 364.795 3.325 20 10 FGCDRO O=C(C[C@H]1CCCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771057412 723726843 /nfs/dbraw/zinc/72/68/43/723726843.db2.gz JCAIDQVUEAVHOD-IAGOWNOFSA-N 1 0 366.889 3.085 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000771890972 723744521 /nfs/dbraw/zinc/74/45/21/723744521.db2.gz VNLCKOPSGXAYBB-ZIAGYGMSSA-N 1 0 358.276 3.457 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000773042821 723775135 /nfs/dbraw/zinc/77/51/35/723775135.db2.gz XCCWKQVAAIKBOW-OAHLLOKOSA-N 1 0 358.507 3.323 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773065238 723775780 /nfs/dbraw/zinc/77/57/80/723775780.db2.gz KCDCLBFIFISLKA-HNNXBMFYSA-N 1 0 368.518 3.291 20 10 FGCDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773118647 723776987 /nfs/dbraw/zinc/77/69/87/723776987.db2.gz PGOIYPCBXREQME-XHDPSFHLSA-N 1 0 366.811 3.141 20 10 FGCDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000775304635 723980656 /nfs/dbraw/zinc/98/06/56/723980656.db2.gz GLGIOKXAEYJCRL-XLIONFOSSA-N 1 0 362.539 3.003 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1O ZINC000775482805 723994571 /nfs/dbraw/zinc/99/45/71/723994571.db2.gz BKJMLIKAWMWMDI-ZWKOTPCHSA-N 1 0 359.539 3.483 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1cc(Br)ccc1O ZINC000775501417 723996357 /nfs/dbraw/zinc/99/63/57/723996357.db2.gz PXVBRPOTNQQJTF-JSGCOSHPSA-N 1 0 371.275 3.426 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cc(Cl)ccc1O ZINC000775521962 723998129 /nfs/dbraw/zinc/99/81/29/723998129.db2.gz GNGXJWGUFLYYFC-MRXNPFEDSA-N 1 0 354.878 3.114 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690778 724025971 /nfs/dbraw/zinc/02/59/71/724025971.db2.gz XFYLLLHCRKIWBL-WCQYABFASA-N 1 0 368.193 3.351 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000776175040 724115717 /nfs/dbraw/zinc/11/57/17/724115717.db2.gz FULZJZTYLYBPBU-RDJZCZTQSA-N 1 0 355.356 3.025 20 10 FGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000776812175 724185293 /nfs/dbraw/zinc/18/52/93/724185293.db2.gz QVUGLGHCLCMLSH-GOEBONIOSA-N 1 0 350.459 3.138 20 10 FGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(Br)ccc1O ZINC000784625779 724868808 /nfs/dbraw/zinc/86/88/08/724868808.db2.gz OLSUPPVVCCMZAX-CQSZACIVSA-N 1 0 354.244 3.485 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N(C)C)cc1 ZINC000786961305 725010300 /nfs/dbraw/zinc/01/03/00/725010300.db2.gz LDYGPLALDMQHJM-INIZCTEOSA-N 1 0 352.525 3.459 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788583962 725073978 /nfs/dbraw/zinc/07/39/78/725073978.db2.gz MJSATHXIOJPAOD-CYBMUJFWSA-N 1 0 351.466 3.237 20 10 FGCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000805734785 725090349 /nfs/dbraw/zinc/09/03/49/725090349.db2.gz VMUDKUCGDNTNKZ-LJQANCHMSA-N 1 0 360.885 3.074 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)ccc1O ZINC000806179516 725119812 /nfs/dbraw/zinc/11/98/12/725119812.db2.gz SOHSGZYHZRUNDN-BBRMVZONSA-N 1 0 365.271 3.367 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1C ZINC000806674855 725140389 /nfs/dbraw/zinc/14/03/89/725140389.db2.gz RKIFCARMPIJKIZ-SFHVURJKSA-N 1 0 359.539 3.143 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000809710470 725261284 /nfs/dbraw/zinc/26/12/84/725261284.db2.gz YXEVSCATMGTCEI-CQSZACIVSA-N 1 0 356.850 3.107 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)CC)c(O)c1 ZINC000809722596 725262726 /nfs/dbraw/zinc/26/27/26/725262726.db2.gz CWMPMJKLVYDNDA-INIZCTEOSA-N 1 0 350.459 3.234 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cnc3ccc(Br)cn23)c1O ZINC000809739544 725264112 /nfs/dbraw/zinc/26/41/12/725264112.db2.gz NQEBQFGUKOAQAK-UHFFFAOYSA-N 1 0 362.227 3.101 20 10 FGCDRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000809746598 725264559 /nfs/dbraw/zinc/26/45/59/725264559.db2.gz UXCJPXAWCYJBKO-UHFFFAOYSA-N 1 0 359.539 3.149 20 10 FGCDRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(Br)c3[O-])C2)CC1 ZINC000809756601 725265694 /nfs/dbraw/zinc/26/56/94/725265694.db2.gz TWGQUVOGRHMVFO-AWEZNQCLSA-N 1 0 353.304 3.318 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1O ZINC000810217028 725297699 /nfs/dbraw/zinc/29/76/99/725297699.db2.gz VDZHJAMPVQCKSZ-FMKPAKJESA-N 1 0 358.404 3.315 20 10 FGCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000812782212 726811297 /nfs/dbraw/zinc/81/12/97/726811297.db2.gz RAJRUNNWBGVHQC-GOSISDBHSA-N 1 0 362.267 3.291 20 10 FGCDRO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817549003 727263959 /nfs/dbraw/zinc/26/39/59/727263959.db2.gz GPMCEQSCNSFNQU-XJKSGUPXSA-N 1 0 358.816 3.172 20 10 FGCDRO C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817899386 727287589 /nfs/dbraw/zinc/28/75/89/727287589.db2.gz LMLVUBMZWHOHQS-DAYGRLMNSA-N 1 0 353.457 3.377 20 10 FGCDRO C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000817947419 727289256 /nfs/dbraw/zinc/28/92/56/727289256.db2.gz NEQGMYZCVAUYET-OWCLPIDISA-N 1 0 351.922 3.215 20 10 FGCDRO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817966754 727289763 /nfs/dbraw/zinc/28/97/63/727289763.db2.gz VCOHOLYLPDQPMB-KXBFYZLASA-N 1 0 351.922 3.217 20 10 FGCDRO CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978783 727290000 /nfs/dbraw/zinc/29/00/00/727290000.db2.gz DKKZKPSLFDMYSC-CBAPKCEASA-N 1 0 366.097 3.305 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000817987557 727290773 /nfs/dbraw/zinc/29/07/73/727290773.db2.gz UITXSUNGYSCSNR-MEWQQHAOSA-N 1 0 357.267 3.333 20 10 FGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)COc1ccccc1Cl ZINC000819062733 727343663 /nfs/dbraw/zinc/34/36/63/727343663.db2.gz IRDFVDDGJCWSQI-LBPRGKRZSA-N 1 0 358.916 3.308 20 10 FGCDRO CCn1cnnc1CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823568629 729289233 /nfs/dbraw/zinc/28/92/33/729289233.db2.gz IHOBLHYKIOITIR-UHFFFAOYSA-N 1 0 355.511 3.328 20 10 FGCDRO C[C@H](C[NH2+]CCCSc1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000823938493 729313275 /nfs/dbraw/zinc/31/32/75/729313275.db2.gz ZKLHOONAEBEYSD-CYBMUJFWSA-N 1 0 370.565 3.422 20 10 FGCDRO COc1cc(Br)cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000824445886 729339209 /nfs/dbraw/zinc/33/92/09/729339209.db2.gz NTFMLFRUGFEWIQ-LBPRGKRZSA-N 1 0 369.303 3.079 20 10 FGCDRO FC(F)(F)c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000824660803 729353545 /nfs/dbraw/zinc/35/35/45/729353545.db2.gz JJSJRYJQZDTEKY-UHFFFAOYSA-N 1 0 351.372 3.227 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2CN2CCOCC2)cc1Cl ZINC000825058962 729369247 /nfs/dbraw/zinc/36/92/47/729369247.db2.gz PFKATWFMDYWTSU-UHFFFAOYSA-N 1 0 360.885 3.476 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124812 729372041 /nfs/dbraw/zinc/37/20/41/729372041.db2.gz YRMCJJWLQHVPRL-TVQRCGJNSA-N 1 0 368.193 3.208 20 10 FGCDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825129943 729372114 /nfs/dbraw/zinc/37/21/14/729372114.db2.gz IOBNMMSSNPPMDL-OXJNMPFZSA-N 1 0 360.523 3.356 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)Cc1ccc(F)cc1 ZINC000825130717 729372319 /nfs/dbraw/zinc/37/23/19/729372319.db2.gz DSFUITXBTDQFDI-CYBMUJFWSA-N 1 0 368.246 3.235 20 10 FGCDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825292423 729377349 /nfs/dbraw/zinc/37/73/49/729377349.db2.gz VTIHVGCOUGISOS-UHFFFAOYSA-N 1 0 371.319 3.134 20 10 FGCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825326434 729378900 /nfs/dbraw/zinc/37/89/00/729378900.db2.gz PXSQIZUFUPUAGO-CKNLXJGOSA-N 1 0 360.317 3.324 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c(O)c1 ZINC000825336948 729379128 /nfs/dbraw/zinc/37/91/28/729379128.db2.gz AXIIYUSNFSBPTC-QGZVFWFLSA-N 1 0 366.255 3.377 20 10 FGCDRO OC[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)C[C@@H]1c1ccccc1 ZINC000825944137 729400331 /nfs/dbraw/zinc/40/03/31/729400331.db2.gz RAUPAUVLIVXCGK-AEFFLSMTSA-N 1 0 362.267 3.411 20 10 FGCDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)s1 ZINC000827941821 729437525 /nfs/dbraw/zinc/43/75/25/729437525.db2.gz ISBMLAJMOIGYHA-LBPRGKRZSA-N 1 0 362.451 3.024 20 10 FGCDRO Cc1cc([C@H]([NH3+])CC(=O)NCCCSc2nccs2)cc(Cl)n1 ZINC000829528492 729487992 /nfs/dbraw/zinc/48/79/92/729487992.db2.gz OTARRLXJVSZBGS-GFCCVEGCSA-N 1 0 370.931 3.188 20 10 FGCDRO C[C@H](SCc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273269 729701242 /nfs/dbraw/zinc/70/12/42/729701242.db2.gz MKTWECXSQYARPK-KXBFYZLASA-N 1 0 357.523 3.191 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC000834821691 729836792 /nfs/dbraw/zinc/83/67/92/729836792.db2.gz SINMBIXWVTXKFA-NEPJUHHUSA-N 1 0 364.287 3.322 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000834896042 729844612 /nfs/dbraw/zinc/84/46/12/729844612.db2.gz HEUSIHHFCGJHPM-NWDGAFQWSA-N 1 0 352.276 3.478 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000834896043 729844753 /nfs/dbraw/zinc/84/47/53/729844753.db2.gz HEUSIHHFCGJHPM-RYUDHWBXSA-N 1 0 352.276 3.478 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000835038654 729852269 /nfs/dbraw/zinc/85/22/69/729852269.db2.gz XSFDZQBHEYPRQX-SOFGYWHQSA-N 1 0 358.507 3.219 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c(C(F)(F)F)c1 ZINC000835075520 729856682 /nfs/dbraw/zinc/85/66/82/729856682.db2.gz YRZVKUNKPCHTOU-ZBFHGGJFSA-N 1 0 355.404 3.014 20 10 FGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000840884022 730187795 /nfs/dbraw/zinc/18/77/95/730187795.db2.gz OGGFNXHERRZYFY-CYBMUJFWSA-N 1 0 351.390 3.029 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000840940242 730194471 /nfs/dbraw/zinc/19/44/71/730194471.db2.gz XLWSAKTXBYIVAY-KRWDZBQOSA-N 1 0 359.901 3.148 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2c(F)cccc2Br)cc1 ZINC000841044518 730205552 /nfs/dbraw/zinc/20/55/52/730205552.db2.gz ZNKOIFHMULXCBI-KRWDZBQOSA-N 1 0 366.278 3.444 20 10 FGCDRO O=C(NCCCSc1nccs1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841324992 730232233 /nfs/dbraw/zinc/23/22/33/730232233.db2.gz ICSKBOBILOAJLY-UHFFFAOYSA-N 1 0 366.487 3.232 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1O ZINC000841751948 730270738 /nfs/dbraw/zinc/27/07/38/730270738.db2.gz OZNWIBCINUYIPR-SKDRFNHKSA-N 1 0 350.768 3.250 20 10 FGCDRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCSc2nccs2)cc1 ZINC000841858393 730281402 /nfs/dbraw/zinc/28/14/02/730281402.db2.gz YKRGMTPRUFCMCP-GFCCVEGCSA-N 1 0 350.513 3.144 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CCC[NH2+]3)cc2Cl)C1 ZINC000841895397 730283705 /nfs/dbraw/zinc/28/37/05/730283705.db2.gz BKMRPVMZJBLEFK-GOEBONIOSA-N 1 0 364.921 3.128 20 10 FGCDRO Cc1cc(Br)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843045460 730573368 /nfs/dbraw/zinc/57/33/68/730573368.db2.gz RXZREAYQDXRRHC-CJNGLKHVSA-N 1 0 353.304 3.427 20 10 FGCDRO COc1cc(Br)cc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1O ZINC000843047916 730573760 /nfs/dbraw/zinc/57/37/60/730573760.db2.gz BGFIEKCRQQZWNO-LSDHHAIUSA-N 1 0 369.303 3.270 20 10 FGCDRO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000843129951 730589170 /nfs/dbraw/zinc/58/91/70/730589170.db2.gz VDSXIASYEVEGNX-SFYZADRCSA-N 1 0 366.097 3.133 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843386161 730612731 /nfs/dbraw/zinc/61/27/31/730612731.db2.gz IOBBJJSMGKCATR-CABCVRRESA-N 1 0 350.890 3.460 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000843400031 730614790 /nfs/dbraw/zinc/61/47/90/730614790.db2.gz VZCPCCKGMCFOMI-DZGCQCFKSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1O ZINC000843409675 730616586 /nfs/dbraw/zinc/61/65/86/730616586.db2.gz UMSYAKFIFJETTH-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)cc1OC ZINC000843419308 730618556 /nfs/dbraw/zinc/61/85/56/730618556.db2.gz SOIZNCKPAAIUOH-UHFFFAOYSA-N 1 0 353.321 3.021 20 10 FGCDRO C[C@H](NC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000845100587 730810106 /nfs/dbraw/zinc/81/01/06/730810106.db2.gz BJRBDEHRXGHWFU-UONOGXRCSA-N 1 0 365.905 3.498 20 10 FGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)N1CCOCC1 ZINC000846139012 730931771 /nfs/dbraw/zinc/93/17/71/730931771.db2.gz ODDDTPQTWZEAIU-MAUKXSAKSA-N 1 0 350.503 3.188 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000846142835 730931780 /nfs/dbraw/zinc/93/17/80/730931780.db2.gz WMQQNFPZWBJDTE-GFCCVEGCSA-N 1 0 369.870 3.179 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1O ZINC000848532341 731176363 /nfs/dbraw/zinc/17/63/63/731176363.db2.gz FWBLPAWPUDSHSP-ZIBATOQPSA-N 1 0 369.303 3.297 20 10 FGCDRO CC(C)CCNC(=[NH2+])NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000849069157 731225768 /nfs/dbraw/zinc/22/57/68/731225768.db2.gz QDGUVKMHLRDLFV-GJZGRUSLSA-N 1 0 350.482 3.099 20 10 FGCDRO Oc1ccc(Br)cc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000849352467 731251846 /nfs/dbraw/zinc/25/18/46/731251846.db2.gz MCRFNEWXAPWQHC-KRWDZBQOSA-N 1 0 363.255 3.428 20 10 FGCDRO COCc1csc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000850072739 731315058 /nfs/dbraw/zinc/31/50/58/731315058.db2.gz JEISDOYLXHXJLJ-UHFFFAOYSA-N 1 0 360.523 3.393 20 10 FGCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000850135479 731324245 /nfs/dbraw/zinc/32/42/45/731324245.db2.gz LWJQCUVCNDFLLV-PKOBYXMFSA-N 1 0 364.555 3.370 20 10 FGCDRO CCN(CC)c1ncc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000850346661 731345391 /nfs/dbraw/zinc/34/53/91/731345391.db2.gz VZIZDOJXDNVUER-OAHLLOKOSA-N 1 0 360.527 3.366 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc([C@@H]4CCCO4)s3)C2)cc1 ZINC000850347141 731345400 /nfs/dbraw/zinc/34/54/00/731345400.db2.gz OGZLSWNVCSBTST-KSSFIOAISA-N 1 0 359.495 3.372 20 10 FGCDRO COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000850489091 731362825 /nfs/dbraw/zinc/36/28/25/731362825.db2.gz QLHRQDGIWYVQLG-UKRRQHHQSA-N 1 0 360.479 3.473 20 10 FGCDRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(Br)cc1O ZINC000850491723 731363152 /nfs/dbraw/zinc/36/31/52/731363152.db2.gz BAPOISXTTDWSIK-ZPWHCFADSA-N 1 0 374.222 3.116 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000850502819 731366000 /nfs/dbraw/zinc/36/60/00/731366000.db2.gz RHKVRDFYLPOTLD-CAVOSLQRSA-N 1 0 372.303 3.371 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)cc1O ZINC000850559087 731373198 /nfs/dbraw/zinc/37/31/98/731373198.db2.gz XCYDHSYZZBKVIN-VXGBXAGGSA-N 1 0 369.303 3.452 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000850560252 731373477 /nfs/dbraw/zinc/37/34/77/731373477.db2.gz CKMHMORMGZQWIX-SJKOYZFVSA-N 1 0 372.303 3.373 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000852700495 731622040 /nfs/dbraw/zinc/62/20/40/731622040.db2.gz GQILIRNRZXRJIC-QGZVFWFLSA-N 1 0 359.857 3.119 20 10 FGCDRO Cc1cc(CC(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000854723254 731856599 /nfs/dbraw/zinc/85/65/99/731856599.db2.gz UZCLFCGKVFSBDW-UHFFFAOYSA-N 1 0 359.901 3.310 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000858099105 732180209 /nfs/dbraw/zinc/18/02/09/732180209.db2.gz WBRTZKKWIFYMAE-UHFFFAOYSA-N 1 0 362.271 3.308 20 10 FGCDRO COCCOc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858096858 732180272 /nfs/dbraw/zinc/18/02/72/732180272.db2.gz QSQBBEZBMYMNJL-UHFFFAOYSA-N 1 0 350.409 3.346 20 10 FGCDRO COc1ncc(Br)cc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000858249456 732196832 /nfs/dbraw/zinc/19/68/32/732196832.db2.gz QSEHUWKKOXKVAY-UHFFFAOYSA-N 1 0 351.244 3.465 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000858527209 732223918 /nfs/dbraw/zinc/22/39/18/732223918.db2.gz PGXJPSBJFORTRM-GXTWGEPZSA-N 1 0 370.877 3.332 20 10 FGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)o1 ZINC000862237673 732793238 /nfs/dbraw/zinc/79/32/38/732793238.db2.gz CIWRYHQGCZWEHK-LLVKDONJSA-N 1 0 352.232 3.226 20 10 FGCDRO CCOC(=O)c1cccc(C[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000862365580 732817196 /nfs/dbraw/zinc/81/71/96/732817196.db2.gz CWRCGEBNCXTSGC-UHFFFAOYSA-N 1 0 365.227 3.016 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C2(c3cc(C)no3)CCOCC2)c1O ZINC000862542411 732847818 /nfs/dbraw/zinc/84/78/18/732847818.db2.gz OHZDRWDKSZMKLS-UHFFFAOYSA-N 1 0 352.818 3.146 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870895968 733900326 /nfs/dbraw/zinc/90/03/26/733900326.db2.gz MBFLQSXZXGPOML-UHFFFAOYSA-N 1 0 367.287 3.035 20 10 FGCDRO O=c1[nH]nc(Cl)cc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000872448373 735632596 /nfs/dbraw/zinc/63/25/96/735632596.db2.gz DCWWUHPTODNYFK-LBPRGKRZSA-N 1 0 369.252 3.271 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)c2nccnc2C)c1O ZINC000873189870 735735317 /nfs/dbraw/zinc/73/53/17/735735317.db2.gz SIACYVBIMNKWPO-JTQLQIEISA-N 1 0 352.232 3.113 20 10 FGCDRO Cc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(O)c1 ZINC000876727598 736136957 /nfs/dbraw/zinc/13/69/57/736136957.db2.gz OUXKRYAUDITJPZ-UHFFFAOYSA-N 1 0 350.260 3.497 20 10 FGCDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637542 736697206 /nfs/dbraw/zinc/69/72/06/736697206.db2.gz VLFCQSZPXXHPJX-CPJLOUKISA-N 1 0 368.458 3.460 20 10 FGCDRO C[NH+]1CCC(n2cc(NCc3ccc(Br)cc3O)cn2)CC1 ZINC000877685873 736704401 /nfs/dbraw/zinc/70/44/01/736704401.db2.gz HWDLEJBWNWWRTG-UHFFFAOYSA-N 1 0 365.275 3.230 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3sccc3C(F)F)cc2)CC1 ZINC000881854965 737390302 /nfs/dbraw/zinc/39/03/02/737390302.db2.gz MXIQJDOWJMJREU-UHFFFAOYSA-N 1 0 365.449 3.368 20 10 FGCDRO COc1ccc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c(O)c1OC ZINC000894285905 742263197 /nfs/dbraw/zinc/26/31/97/742263197.db2.gz YLLSAJAJZHEIHP-MRXNPFEDSA-N 1 0 364.873 3.455 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894495131 742291421 /nfs/dbraw/zinc/29/14/21/742291421.db2.gz SIDULZVTGLESED-AWEZNQCLSA-N 1 0 350.459 3.056 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1O ZINC000894664422 742316671 /nfs/dbraw/zinc/31/66/71/742316671.db2.gz GGJRNMURGZUXHB-HNNXBMFYSA-N 1 0 366.255 3.295 20 10 FGCDRO COc1cccc(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1O ZINC000894766859 742330380 /nfs/dbraw/zinc/33/03/80/742330380.db2.gz VSHPGEBPICFHEO-LBPRGKRZSA-N 1 0 360.401 3.039 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1OC ZINC000895691915 742440183 /nfs/dbraw/zinc/44/01/83/742440183.db2.gz KMYVKPJEIKUAKO-HNNXBMFYSA-N 1 0 369.820 3.415 20 10 FGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)N(C)C)cc1 ZINC000898450130 742795544 /nfs/dbraw/zinc/79/55/44/742795544.db2.gz OEHWQMXMNYWDTI-BHYGNILZSA-N 1 0 359.436 3.055 20 10 FGCDRO CCc1cccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1O ZINC000898722133 742825573 /nfs/dbraw/zinc/82/55/73/742825573.db2.gz YIFOZXVKAVWQAT-ZDUSSCGKSA-N 1 0 350.260 3.018 20 10 FGCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000902763748 743773712 /nfs/dbraw/zinc/77/37/12/743773712.db2.gz YJIAAXPUQWQWIZ-SJLPKXTDSA-N 1 0 350.478 3.224 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(N2CCOCC2)cc1 ZINC000903180540 743818200 /nfs/dbraw/zinc/81/82/00/743818200.db2.gz DYRWITVWZQEBSD-RRQGHBQHSA-N 1 0 358.404 3.284 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(N2CCOCC2)cc1 ZINC000903180541 743818353 /nfs/dbraw/zinc/81/83/53/743818353.db2.gz DYRWITVWZQEBSD-XKQJLSEDSA-N 1 0 358.404 3.284 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000922530537 758944444 /nfs/dbraw/zinc/94/44/44/758944444.db2.gz ILGCFVJUFRANHP-SAABIXHNSA-N 1 0 362.267 3.337 20 10 FGCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)C2)n1 ZINC000922863083 759018154 /nfs/dbraw/zinc/01/81/54/759018154.db2.gz XQLNSWPGHVPTBU-WCQYABFASA-N 1 0 350.413 3.402 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1(Br)CC1 ZINC000924716920 759375820 /nfs/dbraw/zinc/37/58/20/759375820.db2.gz RRXAGMDTVZALTJ-GFCCVEGCSA-N 1 0 357.267 3.068 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(C(F)(F)F)cc1O ZINC000927148333 759907371 /nfs/dbraw/zinc/90/73/71/759907371.db2.gz WMKYHTHDBZJYDX-WCQYABFASA-N 1 0 354.376 3.138 20 10 FGCDRO CC[N@H+](CCCCCNC(C)=O)Cc1cc(Br)ccc1O ZINC000929755569 760450400 /nfs/dbraw/zinc/45/04/00/760450400.db2.gz PJRZTABSLVJSPN-UHFFFAOYSA-N 1 0 357.292 3.283 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000779029454 724382717 /nfs/dbraw/zinc/38/27/17/724382717.db2.gz IEBRJFUJWNFMGF-NSHDSACASA-N 1 0 357.292 3.419 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000779039596 724383700 /nfs/dbraw/zinc/38/37/00/724383700.db2.gz DFHQKSPNBCTSQV-QPUJVOFHSA-N 1 0 356.182 3.427 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000779038101 724383819 /nfs/dbraw/zinc/38/38/19/724383819.db2.gz IPCXABCUMWQKFI-WCBMZHEXSA-N 1 0 356.182 3.427 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000093455068 494892775 /nfs/dbraw/zinc/89/27/75/494892775.db2.gz WXMLUMHUYYDMGD-FQEVSTJZSA-N 1 0 356.514 3.212 20 10 FGCDRO c1cc(N2CCCCC2)ccc1CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000093513020 494897077 /nfs/dbraw/zinc/89/70/77/494897077.db2.gz KGXJDQIVHNUSTP-UHFFFAOYSA-N 1 0 357.542 3.364 20 10 FGCDRO COc1cc(Br)cc(CN2CCC([NH+]3CCCC3)CC2)c1O ZINC000127701600 494983838 /nfs/dbraw/zinc/98/38/38/494983838.db2.gz LSAMVWVVKJQAFF-UHFFFAOYSA-N 1 0 369.303 3.224 20 10 FGCDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000128924335 495169296 /nfs/dbraw/zinc/16/92/96/495169296.db2.gz FOMGZHUIPWNMRF-GOSISDBHSA-N 1 0 368.525 3.221 20 10 FGCDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000185703550 495689218 /nfs/dbraw/zinc/68/92/18/495689218.db2.gz KVHVLXWGTABLFU-UHFFFAOYSA-N 1 0 369.465 3.128 20 10 FGCDRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1O ZINC000179700098 495696125 /nfs/dbraw/zinc/69/61/25/495696125.db2.gz USIYTVHICZHIFJ-UHFFFAOYSA-N 1 0 356.441 3.368 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2ccccc2c1O ZINC000186082208 495848859 /nfs/dbraw/zinc/84/88/59/495848859.db2.gz FYYKQPHWEAKAFA-KDOFPFPSSA-N 1 0 364.449 3.125 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000183223229 495887310 /nfs/dbraw/zinc/88/73/10/495887310.db2.gz ZCGAHRQZCOFKTE-NVRFMJDISA-N 1 0 360.473 3.271 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000160520361 495982111 /nfs/dbraw/zinc/98/21/11/495982111.db2.gz AIYJJWXYCNGYHM-SJLPKXTDSA-N 1 0 365.477 3.300 20 10 FGCDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186566136 496049010 /nfs/dbraw/zinc/04/90/10/496049010.db2.gz VOFHZWWWJVSLMA-CHWSQXEVSA-N 1 0 360.329 3.376 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000178665211 496532807 /nfs/dbraw/zinc/53/28/07/496532807.db2.gz QTWHILFGSXXYBB-HOTGVXAUSA-N 1 0 368.481 3.426 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCN1C ZINC000157714201 496537179 /nfs/dbraw/zinc/53/71/79/496537179.db2.gz RMQAOLFNRMGNIL-GOEBONIOSA-N 1 0 353.457 3.329 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679328 496543295 /nfs/dbraw/zinc/54/32/95/496543295.db2.gz OJNOUCGRGFIABG-HKUYNNGSSA-N 1 0 357.542 3.315 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000163779557 496556980 /nfs/dbraw/zinc/55/69/80/496556980.db2.gz RFBZWJBWZWITPW-QGZVFWFLSA-N 1 0 369.509 3.461 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109206 496663663 /nfs/dbraw/zinc/66/36/63/496663663.db2.gz CVGKKRMRHAALCJ-HUUCEWRRSA-N 1 0 362.495 3.363 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000273303111 496769146 /nfs/dbraw/zinc/76/91/46/496769146.db2.gz VCVGGPQXGCSDSE-SFTDATJTSA-N 1 0 366.509 3.380 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000273303109 496769608 /nfs/dbraw/zinc/76/96/08/496769608.db2.gz VCVGGPQXGCSDSE-RTWAWAEBSA-N 1 0 366.509 3.380 20 10 FGCDRO COc1ccc(O)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000273545535 496835644 /nfs/dbraw/zinc/83/56/44/496835644.db2.gz ZIRNOIMDXWVEPO-ZBFHGGJFSA-N 1 0 356.470 3.109 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273573447 496843747 /nfs/dbraw/zinc/84/37/47/496843747.db2.gz LDDGCGVQEDWFTD-AWEZNQCLSA-N 1 0 359.426 3.092 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000278108126 497007393 /nfs/dbraw/zinc/00/73/93/497007393.db2.gz AXJGQADFMWWWJD-HIFRSBDPSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000278372706 497091588 /nfs/dbraw/zinc/09/15/88/497091588.db2.gz ZSXXVPZNZBEOOR-UKRRQHHQSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278448902 497117949 /nfs/dbraw/zinc/11/79/49/497117949.db2.gz XNOLMOOQXTYTMF-LKFCYVNXSA-N 1 0 353.768 3.189 20 10 FGCDRO COc1c([O-])c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563375 497154343 /nfs/dbraw/zinc/15/43/43/497154343.db2.gz BOPVGCNNVGCRDU-CQSZACIVSA-N 1 0 351.447 3.053 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000278713278 497198545 /nfs/dbraw/zinc/19/85/45/497198545.db2.gz KNQDPZKQECECRZ-CYBMUJFWSA-N 1 0 353.426 3.130 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1F ZINC000274971139 497209413 /nfs/dbraw/zinc/20/94/13/497209413.db2.gz WEJQILYIDGKRIP-UHFFFAOYSA-N 1 0 357.477 3.199 20 10 FGCDRO Cc1ccc(C[NH+]2CCC(CNC(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000237722000 497281800 /nfs/dbraw/zinc/28/18/00/497281800.db2.gz LZTWYQTYTHGCEI-UHFFFAOYSA-N 1 0 351.494 3.148 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279468696 497447628 /nfs/dbraw/zinc/44/76/28/497447628.db2.gz POTIRJLSSURARR-STQMWFEESA-N 1 0 369.303 3.234 20 10 FGCDRO CCOC(CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OCC ZINC000276520417 497590646 /nfs/dbraw/zinc/59/06/46/497590646.db2.gz MEXQFBGOHJTOBO-HNNXBMFYSA-N 1 0 354.466 3.102 20 10 FGCDRO Cc1cc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)c(C)n1-c1ccccn1 ZINC000295996588 497883751 /nfs/dbraw/zinc/88/37/51/497883751.db2.gz VGLCVQPYNYKSMU-GOSISDBHSA-N 1 0 363.465 3.446 20 10 FGCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296031336 497897797 /nfs/dbraw/zinc/89/77/97/497897797.db2.gz NGHRQVASLCKCBB-UHFFFAOYSA-N 1 0 366.552 3.297 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000296060690 497908878 /nfs/dbraw/zinc/90/88/78/497908878.db2.gz ROSUGOGLJOLMTL-LIRRHRJNSA-N 1 0 366.461 3.388 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280886074 497935802 /nfs/dbraw/zinc/93/58/02/497935802.db2.gz ORYIENBSNWOCIS-RYQLBKOJSA-N 1 0 350.478 3.112 20 10 FGCDRO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000301165852 497980693 /nfs/dbraw/zinc/98/06/93/497980693.db2.gz DPHUPLLOAKGWBF-AWEZNQCLSA-N 1 0 362.817 3.425 20 10 FGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000281004343 497983516 /nfs/dbraw/zinc/98/35/16/497983516.db2.gz NUJMPRWPFGDXTP-INIZCTEOSA-N 1 0 350.528 3.295 20 10 FGCDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000289117846 498023441 /nfs/dbraw/zinc/02/34/41/498023441.db2.gz DEHYMXJWDNJBJU-LJQANCHMSA-N 1 0 356.441 3.448 20 10 FGCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1CO)c1ccc(N2CCOCC2)cc1 ZINC000364584183 498036465 /nfs/dbraw/zinc/03/64/65/498036465.db2.gz VLIHWOLFBBXVJP-XTQVGHSUSA-N 1 0 366.505 3.470 20 10 FGCDRO CCOc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000292872876 498178002 /nfs/dbraw/zinc/17/80/02/498178002.db2.gz WQSRDQDKOUBMEI-UHFFFAOYSA-N 1 0 358.413 3.194 20 10 FGCDRO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Br)ccc1O ZINC000289570196 498198672 /nfs/dbraw/zinc/19/86/72/498198672.db2.gz AXBHAJRNWDESHQ-LLVKDONJSA-N 1 0 350.260 3.467 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(CO)CCOc3ccccc32)c1O ZINC000281805013 498276231 /nfs/dbraw/zinc/27/62/31/498276231.db2.gz VORYVBSGBPGZAL-IBGZPJMESA-N 1 0 361.825 3.008 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)OCO2 ZINC000281960440 498334266 /nfs/dbraw/zinc/33/42/66/498334266.db2.gz QSUVCOKOOWROCH-AWEZNQCLSA-N 1 0 355.438 3.033 20 10 FGCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N3CCC(OC)CC3)cc1)CC2 ZINC000297398314 498434845 /nfs/dbraw/zinc/43/48/45/498434845.db2.gz FOTFHLIGYHPTBZ-HXUWFJFHSA-N 1 0 372.509 3.077 20 10 FGCDRO COc1ccc(O)c(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000293859733 498513833 /nfs/dbraw/zinc/51/38/33/498513833.db2.gz BZXQSIGYKSYBKG-UHFFFAOYSA-N 1 0 369.870 3.008 20 10 FGCDRO C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293863872 498516046 /nfs/dbraw/zinc/51/60/46/498516046.db2.gz IMGIPQFTHDDOBA-UHFFFAOYSA-N 1 0 367.852 3.200 20 10 FGCDRO CCOC(CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1)OCC ZINC000365850535 498669726 /nfs/dbraw/zinc/66/97/26/498669726.db2.gz YAMAJJTZJDJDAP-UHFFFAOYSA-N 1 0 350.503 3.433 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000366294324 498861142 /nfs/dbraw/zinc/86/11/42/498861142.db2.gz LJKMNNOMGQFOCS-ZIAGYGMSSA-N 1 0 368.403 3.496 20 10 FGCDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000366332266 498877686 /nfs/dbraw/zinc/87/76/86/498877686.db2.gz YWWBJEAIWLFANX-OXQOHEQNSA-N 1 0 357.885 3.274 20 10 FGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295154413 498926929 /nfs/dbraw/zinc/92/69/29/498926929.db2.gz FUBXSGKPDWUQQG-IBGZPJMESA-N 1 0 373.541 3.183 20 10 FGCDRO CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000295163483 498930205 /nfs/dbraw/zinc/93/02/05/498930205.db2.gz HHWSSXYDWVEYGU-YNSGVOSJSA-N 1 0 364.555 3.033 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cn[nH]c1 ZINC000284076697 499043230 /nfs/dbraw/zinc/04/32/30/499043230.db2.gz LPRMJYHLOBEUGR-GFCCVEGCSA-N 1 0 354.376 3.116 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323146 499181132 /nfs/dbraw/zinc/18/11/32/499181132.db2.gz ZNWYBBAAVXRTIO-JKSUJKDBSA-N 1 0 356.470 3.161 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370372906 499213903 /nfs/dbraw/zinc/21/39/03/499213903.db2.gz GABPAUBEQJXCHS-PKOBYXMFSA-N 1 0 352.478 3.442 20 10 FGCDRO CN(C(=O)Cc1ccc(N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370773615 499253245 /nfs/dbraw/zinc/25/32/45/499253245.db2.gz OYICPYXOXROVCV-CBQGHPETSA-N 1 0 363.505 3.465 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1OCCc2sccc21 ZINC000368372076 499289874 /nfs/dbraw/zinc/28/98/74/499289874.db2.gz ZRWMEUAADVYEQG-FOIQADDNSA-N 1 0 358.507 3.377 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000371395435 499320094 /nfs/dbraw/zinc/32/00/94/499320094.db2.gz HCJRPMFOMGSQKH-UHFFFAOYSA-N 1 0 361.467 3.098 20 10 FGCDRO Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c2n1CCCC2 ZINC000371401595 499321164 /nfs/dbraw/zinc/32/11/64/499321164.db2.gz QBVDTQOXNUZCDL-INIZCTEOSA-N 1 0 354.498 3.215 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c(O)c1 ZINC000371410458 499322502 /nfs/dbraw/zinc/32/25/02/499322502.db2.gz DJALKZGSHGJPAW-UHFFFAOYSA-N 1 0 358.438 3.168 20 10 FGCDRO Cn1ccc(C[NH2+]C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000368944081 499348999 /nfs/dbraw/zinc/34/89/99/499348999.db2.gz PIHLLRZVMVZDMD-UHFFFAOYSA-N 1 0 354.376 3.077 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369519609 499412133 /nfs/dbraw/zinc/41/21/33/499412133.db2.gz BYLZMFWPJSXIML-KSSFIOAISA-N 1 0 359.495 3.288 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c(O)c1C ZINC000373255275 499460109 /nfs/dbraw/zinc/46/01/09/499460109.db2.gz JJUKTTCZETVKIQ-CVEARBPZSA-N 1 0 353.466 3.037 20 10 FGCDRO Cc1c(-c2cc(C[N@H+]3CC=C(c4ccc(N(C)C)cc4)C3)on2)cnn1C ZINC000373355374 499465179 /nfs/dbraw/zinc/46/51/79/499465179.db2.gz UQXALEMVLNGIOO-UHFFFAOYSA-N 1 0 363.465 3.349 20 10 FGCDRO CC(C)C[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000378205650 499490375 /nfs/dbraw/zinc/49/03/75/499490375.db2.gz NMGVBNJSVKLGLD-INIZCTEOSA-N 1 0 373.419 3.044 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(Nc3nc(C)cs3)CC2)cc1OC ZINC000375217961 499496385 /nfs/dbraw/zinc/49/63/85/499496385.db2.gz LGDUFEXVFHNETG-UHFFFAOYSA-N 1 0 363.483 3.251 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375414132 499515813 /nfs/dbraw/zinc/51/58/13/499515813.db2.gz LLMYHWCHYJZORJ-NSHDSACASA-N 1 0 364.243 3.405 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCCCC2)cc1 ZINC000375853724 499562449 /nfs/dbraw/zinc/56/24/49/499562449.db2.gz ZQNNIRHRGUTLOJ-PKOBYXMFSA-N 1 0 353.514 3.340 20 10 FGCDRO Cc1nc(CN2CCC[C@@H]([NH2+][C@H](C)c3cc4c(cc3O)CCCC4)C2)no1 ZINC000376304786 499599281 /nfs/dbraw/zinc/59/92/81/499599281.db2.gz HDYYNVHCQVXPIH-RDTXWAMCSA-N 1 0 370.497 3.278 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)cc1F ZINC000377925083 499748663 /nfs/dbraw/zinc/74/86/63/499748663.db2.gz UCMCSOMMRYPPGL-UHFFFAOYSA-N 1 0 370.516 3.426 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418098983 500229495 /nfs/dbraw/zinc/22/94/95/500229495.db2.gz MSAJZKPUBFTDQI-SJORKVTESA-N 1 0 354.498 3.018 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC(C)(C)C2)C1 ZINC000435540704 500990006 /nfs/dbraw/zinc/99/00/06/500990006.db2.gz CZXNAHWDKWCCJU-UHFFFAOYSA-N 1 0 369.509 3.045 20 10 FGCDRO COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000527963472 504017518 /nfs/dbraw/zinc/01/75/18/504017518.db2.gz ADQRJNQBKVZHFI-DOTOQJQBSA-N 1 0 356.466 3.335 20 10 FGCDRO Cc1ncc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)o1 ZINC000521565788 504757474 /nfs/dbraw/zinc/75/74/74/504757474.db2.gz MRQVYJYJWHYPGL-UHFFFAOYSA-N 1 0 366.465 3.021 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000359978479 534449250 /nfs/dbraw/zinc/44/92/50/534449250.db2.gz ZZZZRNXBYJFVRZ-SFHVURJKSA-N 1 0 364.449 3.469 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000736530937 598561685 /nfs/dbraw/zinc/56/16/85/598561685.db2.gz ADLJHQPIDQTYFD-UHFFFAOYSA-N 1 0 354.433 3.142 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N(C)C)cc1 ZINC000825141812 608284345 /nfs/dbraw/zinc/28/43/45/608284345.db2.gz PXSXZGHPNRXCNB-SFHVURJKSA-N 1 0 354.433 3.313 20 10 FGCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090811414 700407743 /nfs/dbraw/zinc/40/77/43/700407743.db2.gz AEHCVVOMGVTJLJ-HNAYVOBHSA-N 1 0 352.494 3.356 20 10 FGCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093418960 700451854 /nfs/dbraw/zinc/45/18/54/700451854.db2.gz ZHXNABRTMBUZAF-LBPRGKRZSA-N 1 0 358.276 3.412 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1O ZINC000105442790 700500925 /nfs/dbraw/zinc/50/09/25/700500925.db2.gz UVZLLONRIZCTIO-LLVKDONJSA-N 1 0 368.275 3.094 20 10 FGCDRO O=[S@@](CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000111233002 700546877 /nfs/dbraw/zinc/54/68/77/700546877.db2.gz PZPBUWBOCDPSGS-AVRWGWEMSA-N 1 0 359.491 3.181 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccccc2)c1O ZINC000114508192 700578536 /nfs/dbraw/zinc/57/85/36/700578536.db2.gz PQOBPCYLTFTGCH-QGZVFWFLSA-N 1 0 366.255 3.161 20 10 FGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123651294 700707987 /nfs/dbraw/zinc/70/79/87/700707987.db2.gz MAEBLNFXDZFGFK-JQWIXIFHSA-N 1 0 354.166 3.042 20 10 FGCDRO CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1O ZINC000131539575 700816403 /nfs/dbraw/zinc/81/64/03/700816403.db2.gz NPSLNRVBSBGGTC-UHFFFAOYSA-N 1 0 362.495 3.055 20 10 FGCDRO O=C(C[C@@H]1CCCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262134 704818234 /nfs/dbraw/zinc/81/82/34/704818234.db2.gz JCAIDQVUEAVHOD-IRXDYDNUSA-N 1 0 366.889 3.085 20 10 FGCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000161932930 705286250 /nfs/dbraw/zinc/28/62/50/705286250.db2.gz OPZXCXGCBKIKJK-CQSZACIVSA-N 1 0 351.418 3.289 20 10 FGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000164244297 705326751 /nfs/dbraw/zinc/32/67/51/705326751.db2.gz XXKSCLVNBGFEHR-UHFFFAOYSA-N 1 0 360.420 3.096 20 10 FGCDRO CCN(C[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1)CC(F)(F)F ZINC000164449889 705329241 /nfs/dbraw/zinc/32/92/41/705329241.db2.gz RYCNHGOUIBMIJT-CQSZACIVSA-N 1 0 360.420 3.415 20 10 FGCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164421019 705329447 /nfs/dbraw/zinc/32/94/47/705329447.db2.gz HNVNFPCSWSVINF-HNNXBMFYSA-N 1 0 351.487 3.183 20 10 FGCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472242 705702957 /nfs/dbraw/zinc/70/29/57/705702957.db2.gz VDTIFJNOJFTYJY-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179639130 705708319 /nfs/dbraw/zinc/70/83/19/705708319.db2.gz KNPRDHVYWGTYPG-LJQANCHMSA-N 1 0 350.528 3.076 20 10 FGCDRO Cc1cccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)c1O ZINC000181189731 705776894 /nfs/dbraw/zinc/77/68/94/705776894.db2.gz VRPCKLOVLWEAET-UHFFFAOYSA-N 1 0 362.495 3.067 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c(O)c1 ZINC000185288937 712690689 /nfs/dbraw/zinc/69/06/89/712690689.db2.gz RHVOXNGULRSMGR-OAHLLOKOSA-N 1 0 360.479 3.091 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000224492470 713571881 /nfs/dbraw/zinc/57/18/81/713571881.db2.gz BNHFKMDTHIIPPE-BBRMVZONSA-N 1 0 353.304 3.379 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)[C@@]12CCCO2 ZINC000781424782 724563645 /nfs/dbraw/zinc/56/36/45/724563645.db2.gz YXMDWNANKAMANV-AQNXPRMDSA-N 1 0 350.478 3.488 20 10 FGCDRO COc1cccc(C[NH2+][C@H](CCO)c2ccccc2Br)c1O ZINC000781637708 724581860 /nfs/dbraw/zinc/58/18/60/724581860.db2.gz CCWZNTYUJBBXEE-OAHLLOKOSA-N 1 0 366.255 3.377 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1 ZINC000783717698 724781105 /nfs/dbraw/zinc/78/11/05/724781105.db2.gz DCANLYKUWSFVGU-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000701889584 722410450 /nfs/dbraw/zinc/41/04/50/722410450.db2.gz FKWMTJYBABIVAQ-NSHDSACASA-N 1 0 358.866 3.399 20 10 FGCDRO CN(CCOCC[NH2+]Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000705881026 722412052 /nfs/dbraw/zinc/41/20/52/722412052.db2.gz MXWLNPGRSZUQSC-UHFFFAOYSA-N 1 0 358.866 3.019 20 10 FGCDRO Cn1nc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c2ccccc21 ZINC000727466893 722444826 /nfs/dbraw/zinc/44/48/26/722444826.db2.gz IDZZMAADIWDNQF-UHFFFAOYSA-N 1 0 352.507 3.416 20 10 FGCDRO CN(C)c1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000734866989 722510771 /nfs/dbraw/zinc/51/07/71/722510771.db2.gz IOFQQESZWNEAOY-KRWDZBQOSA-N 1 0 352.498 3.057 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cc1C ZINC000742367039 722556436 /nfs/dbraw/zinc/55/64/36/722556436.db2.gz GKABMFOWUNNGGJ-UHFFFAOYSA-N 1 0 363.255 3.500 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc([S@@](C)=O)cc3)CC2)cc1 ZINC000749323606 722724668 /nfs/dbraw/zinc/72/46/68/722724668.db2.gz STXJPFQHZFNXHE-RUZDIDTESA-N 1 0 358.507 3.191 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c(O)c1 ZINC000756345374 722963150 /nfs/dbraw/zinc/96/31/50/722963150.db2.gz XFSZAHWVMUQCIF-AEFFLSMTSA-N 1 0 359.539 3.401 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c(O)c1 ZINC000756345380 722963162 /nfs/dbraw/zinc/96/31/62/722963162.db2.gz XFSZAHWVMUQCIF-WMZOPIPTSA-N 1 0 359.539 3.401 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000756384067 722963701 /nfs/dbraw/zinc/96/37/01/722963701.db2.gz NEBMIZSXSZMBOI-ABAIWWIYSA-N 1 0 364.442 3.241 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000756384074 722963710 /nfs/dbraw/zinc/96/37/10/722963710.db2.gz NEBMIZSXSZMBOI-NHYWBVRUSA-N 1 0 364.442 3.241 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cc(Br)ccc1O ZINC000756398305 722963921 /nfs/dbraw/zinc/96/39/21/722963921.db2.gz UOCYSZBZSCGHDW-TZMCWYRMSA-N 1 0 366.255 3.245 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000756511612 722965928 /nfs/dbraw/zinc/96/59/28/722965928.db2.gz QYXGNKUEQIEZRI-MLGOLLRUSA-N 1 0 363.454 3.414 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c(O)c1C ZINC000756543472 722966529 /nfs/dbraw/zinc/96/65/29/722966529.db2.gz OZTWOXLZGAVVAE-UONOGXRCSA-N 1 0 351.393 3.378 20 10 FGCDRO C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cc(F)ccc1O ZINC000756649442 722968164 /nfs/dbraw/zinc/96/81/64/722968164.db2.gz PMOIVZAJHRQBIY-MRXNPFEDSA-N 1 0 350.478 3.465 20 10 FGCDRO CCCCCSC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758232263 722986676 /nfs/dbraw/zinc/98/66/76/722986676.db2.gz QSBGJMPUJBCQRZ-SFHVURJKSA-N 1 0 352.544 3.102 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)cc1 ZINC000758478588 722990534 /nfs/dbraw/zinc/99/05/34/722990534.db2.gz HXMHUZHZCMWERG-NRFANRHFSA-N 1 0 355.551 3.460 20 10 FGCDRO COC1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCCC1 ZINC000790949489 723198228 /nfs/dbraw/zinc/19/82/28/723198228.db2.gz SMEYJTCQZAUFKZ-IYBDPMFKSA-N 1 0 350.478 3.488 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000792841569 723373423 /nfs/dbraw/zinc/37/34/23/723373423.db2.gz AYUHKJONLQULFA-HZPDHXFCSA-N 1 0 360.445 3.478 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCNc2ncccn2)c(C(F)(F)F)c1 ZINC000792882974 723377255 /nfs/dbraw/zinc/37/72/55/723377255.db2.gz SHZXBRRNVTZWGW-UHFFFAOYSA-N 1 0 353.392 3.153 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000793365442 723430944 /nfs/dbraw/zinc/43/09/44/723430944.db2.gz LKMYAWCMNWAPCX-KRWDZBQOSA-N 1 0 370.287 3.233 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(O)c1 ZINC000793388711 723433119 /nfs/dbraw/zinc/43/31/19/723433119.db2.gz RYQUUDNGEQHNNY-UHFFFAOYSA-N 1 0 354.309 3.200 20 10 FGCDRO CC(C)[C@@H](C(=O)NCc1cccc(Br)c1O)[NH+]1CCCCC1 ZINC000765732065 723536058 /nfs/dbraw/zinc/53/60/58/723536058.db2.gz PAGOZLBYFSBQOM-HNNXBMFYSA-N 1 0 369.303 3.281 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000794827602 723547945 /nfs/dbraw/zinc/54/79/45/723547945.db2.gz LGVYLZSCBPDAIV-LBPRGKRZSA-N 1 0 368.275 3.491 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766584489 723582403 /nfs/dbraw/zinc/58/24/03/723582403.db2.gz UIIWHLSEZWYBAL-UKRRQHHQSA-N 1 0 360.889 3.108 20 10 FGCDRO C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[S@](C)=O ZINC000796318540 723632629 /nfs/dbraw/zinc/63/26/29/723632629.db2.gz DEGVTBNJSQFUKF-GKVSMKOHSA-N 1 0 356.535 3.496 20 10 FGCDRO C[C@H](Cn1cccn1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000768686256 723665324 /nfs/dbraw/zinc/66/53/24/723665324.db2.gz JAYBLGNYBYUHIV-CQSZACIVSA-N 1 0 350.413 3.132 20 10 FGCDRO COc1cccc(O)c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000769400619 723684477 /nfs/dbraw/zinc/68/44/77/723684477.db2.gz XDEVGCQATBQPGK-UHFFFAOYSA-N 1 0 366.259 3.197 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000770376630 723712325 /nfs/dbraw/zinc/71/23/25/723712325.db2.gz WIEOBQWLQOFDAF-CHWSQXEVSA-N 1 0 370.287 3.412 20 10 FGCDRO COc1c(O)c(C[N@H+](C)CCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774821659 723933150 /nfs/dbraw/zinc/93/31/50/723933150.db2.gz UNJGTQHRCSXHPM-UHFFFAOYSA-N 1 0 366.801 3.473 20 10 FGCDRO COc1c(O)c(C[NH2+]Cc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000774989703 723948579 /nfs/dbraw/zinc/94/85/79/723948579.db2.gz KGDKXLLYWFOYHI-UHFFFAOYSA-N 1 0 367.199 3.361 20 10 FGCDRO CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000775500389 723996530 /nfs/dbraw/zinc/99/65/30/723996530.db2.gz JEDLBPFJMXZRFQ-IAGOWNOFSA-N 1 0 367.921 3.029 20 10 FGCDRO CCCC1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000776175270 724116294 /nfs/dbraw/zinc/11/62/94/724116294.db2.gz ZETZRXONDZLMAQ-UHFFFAOYSA-N 1 0 364.555 3.370 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CCc2cnc(C3CC3)nc2)c1O ZINC000776254533 724123861 /nfs/dbraw/zinc/12/38/61/724123861.db2.gz YRMCWMFXYRSCMI-UHFFFAOYSA-N 1 0 362.271 3.463 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c(O)c1 ZINC000800290002 724175962 /nfs/dbraw/zinc/17/59/62/724175962.db2.gz VXYXFAYOXPUAMA-KRWDZBQOSA-N 1 0 366.255 3.377 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000776812176 724185270 /nfs/dbraw/zinc/18/52/70/724185270.db2.gz QVUGLGHCLCMLSH-HOCLYGCPSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785988833 724953338 /nfs/dbraw/zinc/95/33/38/724953338.db2.gz PDOKXGWWNAHMRC-COPLHBTASA-N 1 0 358.276 3.145 20 10 FGCDRO FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000806130526 725117002 /nfs/dbraw/zinc/11/70/02/725117002.db2.gz ACPPSFPZAMRZKI-HOCLYGCPSA-N 1 0 360.445 3.439 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC000809720748 725262423 /nfs/dbraw/zinc/26/24/23/725262423.db2.gz MBIRVFSPQDRHTJ-MRXNPFEDSA-N 1 0 350.459 3.280 20 10 FGCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000809777895 725267858 /nfs/dbraw/zinc/26/78/58/725267858.db2.gz ICBOHFQJKNLMRS-CQSZACIVSA-N 1 0 369.303 3.201 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(C(F)(F)F)cc1O ZINC000810221211 725297880 /nfs/dbraw/zinc/29/78/80/725297880.db2.gz CALRQVWZBTWNFN-CYBMUJFWSA-N 1 0 353.344 3.146 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)c(OC)n1 ZINC000810260974 725300421 /nfs/dbraw/zinc/30/04/21/725300421.db2.gz RIFXIHNSQTZBAH-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C(F)F)n1 ZINC000812746668 726807719 /nfs/dbraw/zinc/80/77/19/726807719.db2.gz GWIPWVAGCXNVMT-UHFFFAOYSA-N 1 0 352.454 3.201 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1O ZINC000815148314 727045739 /nfs/dbraw/zinc/04/57/39/727045739.db2.gz RNOMAOZEXXHKSG-MRXNPFEDSA-N 1 0 358.276 3.194 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](CO)C2CCCCC2)c1O ZINC000815150146 727046221 /nfs/dbraw/zinc/04/62/21/727046221.db2.gz PJOPQYWHCHIAFP-AWEZNQCLSA-N 1 0 372.303 3.442 20 10 FGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000815633023 727087551 /nfs/dbraw/zinc/08/75/51/727087551.db2.gz DNNAZELCJNEHFS-NEPJUHHUSA-N 1 0 357.292 3.358 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000816642667 727184365 /nfs/dbraw/zinc/18/43/65/727184365.db2.gz HCWNNNCLPKLGKS-QGZVFWFLSA-N 1 0 353.304 3.381 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1O ZINC000816652966 727185630 /nfs/dbraw/zinc/18/56/30/727185630.db2.gz ACDCTKJTIHCCMD-HNNXBMFYSA-N 1 0 363.255 3.169 20 10 FGCDRO CCCN1C[C@H](C[NH2+][C@H](CC)c2cc(Br)ccc2O)CC1=O ZINC000817590204 727268813 /nfs/dbraw/zinc/26/88/13/727268813.db2.gz WHMBSHCTNJGXGY-SWLSCSKDSA-N 1 0 369.303 3.454 20 10 FGCDRO CN1CCO[C@H]([C@H]([NH2+]CCc2ccc(N)cc2)c2ccc(Cl)cc2)C1 ZINC000817958781 727289453 /nfs/dbraw/zinc/28/94/53/727289453.db2.gz YDQUYLNWMRLHOE-VQTJNVASSA-N 1 0 359.901 3.126 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)C2)cc1 ZINC000818219250 727302195 /nfs/dbraw/zinc/30/21/95/727302195.db2.gz AYDUUYCCHTZWOQ-KEYYUXOJSA-N 1 0 358.404 3.221 20 10 FGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964340 727331744 /nfs/dbraw/zinc/33/17/44/727331744.db2.gz RYUIKLKYGKSNOG-LAUBAEHRSA-N 1 0 356.535 3.494 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2F)C[C@H](C)O1 ZINC000818966331 727332050 /nfs/dbraw/zinc/33/20/50/727332050.db2.gz IDQOQSGARDNDBF-IYBDPMFKSA-N 1 0 350.478 3.224 20 10 FGCDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819062616 727343387 /nfs/dbraw/zinc/34/33/87/727343387.db2.gz GURQOYUUHFQRSQ-HNNXBMFYSA-N 1 0 352.525 3.272 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(C(F)(F)F)c1 ZINC000822503506 729183254 /nfs/dbraw/zinc/18/32/54/729183254.db2.gz HZWJNSOKUZBIRH-OAHLLOKOSA-N 1 0 353.392 3.200 20 10 FGCDRO CCc1nncn1CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823944027 729313323 /nfs/dbraw/zinc/31/33/23/729313323.db2.gz ROCUEWARHHQDBK-UHFFFAOYSA-N 1 0 355.511 3.328 20 10 FGCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824037305 729316997 /nfs/dbraw/zinc/31/69/97/729316997.db2.gz IUXWMUPNMUQHJE-RTBURBONSA-N 1 0 357.523 3.389 20 10 FGCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824560940 729347451 /nfs/dbraw/zinc/34/74/51/729347451.db2.gz MZWRYJRHMXXNNQ-UHFFFAOYSA-N 1 0 369.303 3.283 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)N1CCCC[C@H]1C ZINC000825191225 729374137 /nfs/dbraw/zinc/37/41/37/729374137.db2.gz ZGQILFNUCRSGTI-NEPJUHHUSA-N 1 0 355.276 3.034 20 10 FGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825279880 729376884 /nfs/dbraw/zinc/37/68/84/729376884.db2.gz ZQAFKHOOUDTWBT-SFHVURJKSA-N 1 0 351.830 3.194 20 10 FGCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825394422 729381700 /nfs/dbraw/zinc/38/17/00/729381700.db2.gz AGRMQRCULCHMLD-INIZCTEOSA-N 1 0 366.255 3.377 20 10 FGCDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825401775 729381755 /nfs/dbraw/zinc/38/17/55/729381755.db2.gz XHVXDIFPGJEKIZ-UHFFFAOYSA-N 1 0 352.276 3.227 20 10 FGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000825887914 729398467 /nfs/dbraw/zinc/39/84/67/729398467.db2.gz XKGREWCNGBDSBG-ZDUSSCGKSA-N 1 0 368.193 3.434 20 10 FGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000825917197 729399383 /nfs/dbraw/zinc/39/93/83/729399383.db2.gz YNIMNOSTRSWANF-UHFFFAOYSA-N 1 0 354.200 3.214 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826096787 729405136 /nfs/dbraw/zinc/40/51/36/729405136.db2.gz DDPHCQKDAQCFAP-BDJLRTHQSA-N 1 0 361.404 3.443 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(OC)c3O)C2)cc1 ZINC000826845509 729416878 /nfs/dbraw/zinc/41/68/78/729416878.db2.gz JVGQVGXKPQDNAD-HNNXBMFYSA-N 1 0 362.857 3.431 20 10 FGCDRO Cc1cc(Br)cc(CN2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000827857148 729436043 /nfs/dbraw/zinc/43/60/43/729436043.db2.gz WYRMRCOLSPZALP-MRXNPFEDSA-N 1 0 371.319 3.006 20 10 FGCDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000832267226 729701071 /nfs/dbraw/zinc/70/10/71/729701071.db2.gz OMVRPLUDURXTQP-RISCZKNCSA-N 1 0 351.903 3.387 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000834452158 729804434 /nfs/dbraw/zinc/80/44/34/729804434.db2.gz HEKVBVOTJDPJKC-LLVKDONJSA-N 1 0 364.287 3.324 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(Cl)ccc1O ZINC000834910485 729845808 /nfs/dbraw/zinc/84/58/08/729845808.db2.gz HVRSAFINRLKFGM-TZMCWYRMSA-N 1 0 370.877 3.332 20 10 FGCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000837380869 730023547 /nfs/dbraw/zinc/02/35/47/730023547.db2.gz YQAVBQIDHZFGPO-UHFFFAOYSA-N 1 0 360.527 3.088 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000840760791 730170658 /nfs/dbraw/zinc/17/06/58/730170658.db2.gz FTZKFJXPNRKLIX-GOSISDBHSA-N 1 0 354.441 3.096 20 10 FGCDRO CCc1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000840900490 730189270 /nfs/dbraw/zinc/18/92/70/730189270.db2.gz YPCVZZJQALZRQV-KRWDZBQOSA-N 1 0 360.889 3.152 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000840946496 730195229 /nfs/dbraw/zinc/19/52/29/730195229.db2.gz LWPISFOEXCKOML-UHFFFAOYSA-N 1 0 351.292 3.152 20 10 FGCDRO CCOc1cccc(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1O ZINC000840971847 730199169 /nfs/dbraw/zinc/19/91/69/730199169.db2.gz DBHHJOAGNSSAAC-UHFFFAOYSA-N 1 0 352.475 3.480 20 10 FGCDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841035085 730205050 /nfs/dbraw/zinc/20/50/50/730205050.db2.gz KIQIEBLKIBPLAK-CYBMUJFWSA-N 1 0 361.873 3.480 20 10 FGCDRO Nc1ccc(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000841637473 730261210 /nfs/dbraw/zinc/26/12/10/730261210.db2.gz SXXTYCKBJWLXKX-KRWDZBQOSA-N 1 0 358.511 3.009 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1O ZINC000841743511 730269918 /nfs/dbraw/zinc/26/99/18/730269918.db2.gz ANRGOIURGDVKIG-CYBMUJFWSA-N 1 0 362.857 3.363 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1O ZINC000841759030 730271474 /nfs/dbraw/zinc/27/14/74/730271474.db2.gz WZULDIOIGWAMFC-LBPRGKRZSA-N 1 0 368.886 3.147 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000841858366 730281451 /nfs/dbraw/zinc/28/14/51/730281451.db2.gz XCLMOMPZLYOFTH-GJZGRUSLSA-N 1 0 368.572 3.189 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)cc2Cl)C1 ZINC000841895398 730283768 /nfs/dbraw/zinc/28/37/68/730283768.db2.gz BKMRPVMZJBLEFK-HOCLYGCPSA-N 1 0 364.921 3.128 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)cc2Cl)C1 ZINC000841896582 730283887 /nfs/dbraw/zinc/28/38/87/730283887.db2.gz LTMQXSOUACETFA-CXAGYDPISA-N 1 0 364.921 3.113 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125002 730588382 /nfs/dbraw/zinc/58/83/82/730588382.db2.gz KXVFDXRNXNSUDD-KBPBESRZSA-N 1 0 353.304 3.285 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])c1O ZINC000844902267 730786988 /nfs/dbraw/zinc/78/69/88/730786988.db2.gz OHTKCDRZCLDSTJ-SMDDNHRTSA-N 1 0 357.292 3.113 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846164311 730932904 /nfs/dbraw/zinc/93/29/04/730932904.db2.gz NXAMHRFAYUZHMF-KKUMJFAQSA-N 1 0 350.459 3.308 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CCCn2cc(Br)cn2)c1O ZINC000846170856 730933236 /nfs/dbraw/zinc/93/32/36/730933236.db2.gz MKDREVJGLBYJLM-NSHDSACASA-N 1 0 354.248 3.101 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)c1O ZINC000848516677 731174120 /nfs/dbraw/zinc/17/41/20/731174120.db2.gz ATIXVGQHZPYLNT-SKDRFNHKSA-N 1 0 356.216 3.141 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c1O ZINC000848518688 731174221 /nfs/dbraw/zinc/17/42/21/731174221.db2.gz MQRQJJCGPFYUKC-CQDKDKBSSA-N 1 0 369.303 3.441 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1O ZINC000848518689 731174321 /nfs/dbraw/zinc/17/43/21/731174321.db2.gz MQRQJJCGPFYUKC-GLQYFDAESA-N 1 0 369.303 3.441 20 10 FGCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850250824 731335308 /nfs/dbraw/zinc/33/53/08/731335308.db2.gz ZDYLSUPTJWPOKM-AWEZNQCLSA-N 1 0 350.459 3.019 20 10 FGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344062 731344487 /nfs/dbraw/zinc/34/44/87/731344487.db2.gz APQZZQDSOFBBFB-UHFFFAOYSA-N 1 0 356.869 3.165 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)C2)cc1 ZINC000850489078 731362818 /nfs/dbraw/zinc/36/28/18/731362818.db2.gz QJDBAFDGCHKAHY-LMZHUWQESA-N 1 0 358.507 3.362 20 10 FGCDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850519432 731368515 /nfs/dbraw/zinc/36/85/15/731368515.db2.gz LTUJHCUKZMQSBI-BLLLJJGKSA-N 1 0 360.832 3.251 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850544072 731371556 /nfs/dbraw/zinc/37/15/56/731371556.db2.gz BZLRZUVZXZZPME-GDBMZVCRSA-N 1 0 352.906 3.236 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(Br)cc1O ZINC000850559701 731373238 /nfs/dbraw/zinc/37/32/38/731373238.db2.gz ANXRUAOSTLVVTO-SJKOYZFVSA-N 1 0 372.303 3.373 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cc2)CC1 ZINC000850568020 731374409 /nfs/dbraw/zinc/37/44/09/731374409.db2.gz NZXAMAQFHRLHJW-CEXWTWQISA-N 1 0 364.580 3.117 20 10 FGCDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000852920000 731644222 /nfs/dbraw/zinc/64/42/22/731644222.db2.gz IICYOKGNUAGORK-NSHDSACASA-N 1 0 364.287 3.194 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000853122626 731668112 /nfs/dbraw/zinc/66/81/12/731668112.db2.gz RFEPDJYWNREXLP-FQEVSTJZSA-N 1 0 360.885 3.124 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1F ZINC000858158405 732186994 /nfs/dbraw/zinc/18/69/94/732186994.db2.gz DVWYUCNRVKJXQQ-UHFFFAOYSA-N 1 0 365.390 3.395 20 10 FGCDRO OC[C@]1([NH2+]Cc2c(O)cccc2Br)CCCc2ccccc21 ZINC000858161631 732187288 /nfs/dbraw/zinc/18/72/88/732187288.db2.gz CCMRMVQHTFYCAZ-GOSISDBHSA-N 1 0 362.267 3.468 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1 ZINC000858483579 732219556 /nfs/dbraw/zinc/21/95/56/732219556.db2.gz SVXIIQTXGPWZIL-ZDUSSCGKSA-N 1 0 359.413 3.008 20 10 FGCDRO CCN(CC[NH3+])C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000861629600 732711928 /nfs/dbraw/zinc/71/19/28/732711928.db2.gz JPNYQWDMUWVXQV-AWEZNQCLSA-N 1 0 352.910 3.067 20 10 FGCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000862435966 732835016 /nfs/dbraw/zinc/83/50/16/732835016.db2.gz RFWVUKMWPZDVCW-UHFFFAOYSA-N 1 0 364.165 3.197 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000862512766 732842437 /nfs/dbraw/zinc/84/24/37/732842437.db2.gz HLIFOUAPKXNXCW-HNNXBMFYSA-N 1 0 370.877 3.080 20 10 FGCDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000872118466 735591347 /nfs/dbraw/zinc/59/13/47/735591347.db2.gz ZZEDSTRTHDGPGC-LSDHHAIUSA-N 1 0 366.889 3.171 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(SC(F)(F)F)o2)cc1 ZINC000876506881 736108229 /nfs/dbraw/zinc/10/82/29/736108229.db2.gz PUAVMMGZTUVAID-GFCCVEGCSA-N 1 0 373.400 3.387 20 10 FGCDRO CO[C@H]1C[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687620 736705036 /nfs/dbraw/zinc/70/50/36/736705036.db2.gz KRCTUCJNMVVDAG-IRXDYDNUSA-N 1 0 359.857 3.050 20 10 FGCDRO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccccc1O ZINC000879653535 737023523 /nfs/dbraw/zinc/02/35/23/737023523.db2.gz RLSGOWPDZJMZGR-LBPRGKRZSA-N 1 0 356.344 3.227 20 10 FGCDRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000883305082 737550612 /nfs/dbraw/zinc/55/06/12/737550612.db2.gz NYCHGIXTIDUCRQ-VQIMIIECSA-N 1 0 350.528 3.295 20 10 FGCDRO Cc1cc(CC[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000892472284 740004401 /nfs/dbraw/zinc/00/44/01/740004401.db2.gz VQKTWYVNOURHSF-VQIMIIECSA-N 1 0 360.523 3.049 20 10 FGCDRO COC(=O)c1sccc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000892813485 740046576 /nfs/dbraw/zinc/04/65/76/740046576.db2.gz RLVPSQXSVCEYAY-UHFFFAOYSA-N 1 0 360.479 3.302 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2nc3c(s2)COCC3)c1O ZINC000897237921 742656733 /nfs/dbraw/zinc/65/67/33/742656733.db2.gz GDCCRXVJBBSZQF-UHFFFAOYSA-N 1 0 369.284 3.282 20 10 FGCDRO Fc1cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)ccc1N1CCOCC1 ZINC000898070868 742741618 /nfs/dbraw/zinc/74/16/18/742741618.db2.gz AMEJUQMDHOKARB-MRXNPFEDSA-N 1 0 361.486 3.183 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1O ZINC000898720599 742825343 /nfs/dbraw/zinc/82/53/43/742825343.db2.gz MDPNVZNBOPQKEJ-WCQYABFASA-N 1 0 350.260 3.407 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2O)c1 ZINC000903235439 743827344 /nfs/dbraw/zinc/82/73/44/743827344.db2.gz UWDPALNFISYSNX-GOSISDBHSA-N 1 0 362.495 3.240 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(CCF)c2)c1O ZINC000903273597 743833367 /nfs/dbraw/zinc/83/33/67/743833367.db2.gz BMRITCRTHMFEJL-NSHDSACASA-N 1 0 356.239 3.480 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnc3n2CCOC3)c1O ZINC000903420237 743847630 /nfs/dbraw/zinc/84/76/30/743847630.db2.gz MJBSDHIQSSGGEG-NSHDSACASA-N 1 0 366.259 3.041 20 10 FGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000921575097 758748941 /nfs/dbraw/zinc/74/89/41/758748941.db2.gz OOHSIDFRUGSPBN-YQVWRLOYSA-N 1 0 361.555 3.152 20 10 FGCDRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000922389214 758910208 /nfs/dbraw/zinc/91/02/08/758910208.db2.gz SIGXTKAONBNISJ-AHCXZYCDSA-N 1 0 373.324 3.268 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C3(Br)CC3)C2)cc1 ZINC000926612274 759789359 /nfs/dbraw/zinc/78/93/59/759789359.db2.gz NHBXGSUCRIIEMU-ZIAGYGMSSA-N 1 0 353.304 3.427 20 10 FGCDRO C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000926905402 759840840 /nfs/dbraw/zinc/84/08/40/759840840.db2.gz BAICJFUHIRPONS-LBPRGKRZSA-N 1 0 353.871 3.342 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N2CCOCC2)cc1Cl ZINC000926940534 759852959 /nfs/dbraw/zinc/85/29/59/759852959.db2.gz PKFNTIYUNYUOLT-CUSZFKRNSA-N 1 0 362.901 3.418 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000779023311 724382096 /nfs/dbraw/zinc/38/20/96/724382096.db2.gz FHDYNTRPQOFKKC-OCCSQVGLSA-N 1 0 358.276 3.309 20 10 FGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000068973659 493902526 /nfs/dbraw/zinc/90/25/26/493902526.db2.gz LJDPPKDCQRZRGA-IBGZPJMESA-N 1 0 372.465 3.003 20 10 FGCDRO O=C(c1ccncc1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000077441430 494083401 /nfs/dbraw/zinc/08/34/01/494083401.db2.gz LZCOHZBGHBLRKG-UHFFFAOYSA-N 1 0 361.445 3.289 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000079409693 494450241 /nfs/dbraw/zinc/45/02/41/494450241.db2.gz IZMPFEAFNLARDM-ZDUSSCGKSA-N 1 0 366.433 3.081 20 10 FGCDRO COc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1O ZINC000092709195 494723054 /nfs/dbraw/zinc/72/30/54/494723054.db2.gz MNBWHFWFPXOKSO-UHFFFAOYSA-N 1 0 366.421 3.225 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000092071669 494778649 /nfs/dbraw/zinc/77/86/49/494778649.db2.gz AOLMHJUHANJAMD-NSHDSACASA-N 1 0 366.259 3.266 20 10 FGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000093139913 494833562 /nfs/dbraw/zinc/83/35/62/494833562.db2.gz OTLWTYTZINKSIY-UHFFFAOYSA-N 1 0 370.287 3.315 20 10 FGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)CN1CC[NH+](C)CC1 ZINC000120783129 495457245 /nfs/dbraw/zinc/45/72/45/495457245.db2.gz WHQWEMFQEHENII-PMACEKPBSA-N 1 0 358.574 3.211 20 10 FGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])CN1CC[NH+](C)CC1 ZINC000185344586 495539725 /nfs/dbraw/zinc/53/97/25/495539725.db2.gz QQASHFSVYRCMAL-CHWSQXEVSA-N 1 0 360.329 3.233 20 10 FGCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185376797 495554616 /nfs/dbraw/zinc/55/46/16/495554616.db2.gz VCEHDCSMNXDAFO-NSHDSACASA-N 1 0 355.276 3.064 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185605423 495639886 /nfs/dbraw/zinc/63/98/86/495639886.db2.gz QGINEZFXRLKBSA-LJQANCHMSA-N 1 0 358.413 3.123 20 10 FGCDRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1O ZINC000179613342 495660029 /nfs/dbraw/zinc/66/00/29/495660029.db2.gz AYUGQRNOYCJFGB-UHFFFAOYSA-N 1 0 368.433 3.280 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154596584 495666398 /nfs/dbraw/zinc/66/63/98/495666398.db2.gz MGITVXLSIGCASM-SCLBCKFNSA-N 1 0 350.459 3.108 20 10 FGCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182931871 495762670 /nfs/dbraw/zinc/76/26/70/495762670.db2.gz QSHXUPZAWDSVAB-IBGZPJMESA-N 1 0 368.477 3.319 20 10 FGCDRO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(Br)cc1O ZINC000186074595 495846347 /nfs/dbraw/zinc/84/63/47/495846347.db2.gz VIMRBSRODZPYGU-LBPRGKRZSA-N 1 0 358.276 3.391 20 10 FGCDRO CC(=O)c1cc(F)cc(CN(C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000155354816 495931163 /nfs/dbraw/zinc/93/11/63/495931163.db2.gz KFULFGHVAJFEJD-UHFFFAOYSA-N 1 0 359.323 3.118 20 10 FGCDRO Cc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1 ZINC000186350126 495959333 /nfs/dbraw/zinc/95/93/33/495959333.db2.gz GSPGRLYGJDEFSI-DNVCBOLYSA-N 1 0 353.466 3.323 20 10 FGCDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1O ZINC000183595659 496042259 /nfs/dbraw/zinc/04/22/59/496042259.db2.gz JLGUZHTWKYHZDQ-INIZCTEOSA-N 1 0 374.506 3.144 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1O ZINC000186830784 496171931 /nfs/dbraw/zinc/17/19/31/496171931.db2.gz XMWGUTNFDJIMAZ-UHFFFAOYSA-N 1 0 355.887 3.346 20 10 FGCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)nc(C)n1 ZINC000162248623 496322058 /nfs/dbraw/zinc/32/20/58/496322058.db2.gz CEULMYATGBEJPH-MRXNPFEDSA-N 1 0 353.514 3.479 20 10 FGCDRO FC(F)Oc1ccc(N2CCC([NH2+]Cc3cnc4cnccn34)CC2)cc1 ZINC000156744095 496325709 /nfs/dbraw/zinc/32/57/09/496325709.db2.gz YPUHIECGKIXIHL-UHFFFAOYSA-N 1 0 373.407 3.089 20 10 FGCDRO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178449480 496461559 /nfs/dbraw/zinc/46/15/59/496461559.db2.gz PZALFHKTBWESRC-QRWLVFNGSA-N 1 0 374.456 3.055 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000187680354 496532890 /nfs/dbraw/zinc/53/28/90/496532890.db2.gz IWWPACVEHJMHJU-ZDUSSCGKSA-N 1 0 350.409 3.462 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc1OC ZINC000178874324 496601624 /nfs/dbraw/zinc/60/16/24/496601624.db2.gz FSXPZXQZDONBFL-MJGOQNOKSA-N 1 0 351.512 3.376 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109561 496663760 /nfs/dbraw/zinc/66/37/60/496663760.db2.gz CUOCHUGVGZPSOM-OLZOCXBDSA-N 1 0 366.458 3.193 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273359585 496783145 /nfs/dbraw/zinc/78/31/45/496783145.db2.gz AFKQCBVPSTUZLB-QRWLVFNGSA-N 1 0 365.477 3.498 20 10 FGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000273566880 496843181 /nfs/dbraw/zinc/84/31/81/496843181.db2.gz JVHSBVJPTUSOFG-KRWDZBQOSA-N 1 0 367.493 3.220 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(OC)c(OC)c2OC)c1 ZINC000273601659 496851083 /nfs/dbraw/zinc/85/10/83/496851083.db2.gz RYURIVJTSRCJOS-ZDUSSCGKSA-N 1 0 361.438 3.320 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273610338 496852910 /nfs/dbraw/zinc/85/29/10/496852910.db2.gz VOGJJWPXZAYAQH-GJZGRUSLSA-N 1 0 362.495 3.329 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)c1O ZINC000274134296 497023522 /nfs/dbraw/zinc/02/35/22/497023522.db2.gz FRDKJPPVDHZGCG-UHFFFAOYSA-N 1 0 364.239 3.388 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000278372711 497091375 /nfs/dbraw/zinc/09/13/75/497091375.db2.gz ZSXXVPZNZBEOOR-ZFWWWQNUSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc(Br)ccc2OC)c1O ZINC000237215780 497205223 /nfs/dbraw/zinc/20/52/23/497205223.db2.gz DYLQSJXQXRLVHK-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1O ZINC000275029928 497221741 /nfs/dbraw/zinc/22/17/41/497221741.db2.gz VWTQIESTPMGJEY-UHFFFAOYSA-N 1 0 372.444 3.041 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000271179119 497282512 /nfs/dbraw/zinc/28/25/12/497282512.db2.gz LDXBHMAVQHZSSK-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000271179120 497282927 /nfs/dbraw/zinc/28/29/27/497282927.db2.gz LDXBHMAVQHZSSK-UKRRQHHQSA-N 1 0 350.459 3.136 20 10 FGCDRO Cc1noc(CCC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000275326153 497289769 /nfs/dbraw/zinc/28/97/69/497289769.db2.gz LZKLRLWPOVZDKE-SNVBAGLBSA-N 1 0 354.248 3.438 20 10 FGCDRO Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)s1 ZINC000237984554 497323414 /nfs/dbraw/zinc/32/34/14/497323414.db2.gz LRFMFAWLDZHEDM-HZPDHXFCSA-N 1 0 373.497 3.025 20 10 FGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000275809705 497436605 /nfs/dbraw/zinc/43/66/05/497436605.db2.gz FBLVCNDULVHJMZ-IBGZPJMESA-N 1 0 350.478 3.082 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(C)cc1O ZINC000279964046 497603942 /nfs/dbraw/zinc/60/39/42/497603942.db2.gz CNHBILIBKPWPFI-LJQANCHMSA-N 1 0 356.466 3.409 20 10 FGCDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(C)c(O)c1O ZINC000272706014 497708004 /nfs/dbraw/zinc/70/80/04/497708004.db2.gz CIXNIAPNQQILHV-UHFFFAOYSA-N 1 0 362.392 3.143 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1O ZINC000272887416 497753318 /nfs/dbraw/zinc/75/33/18/497753318.db2.gz YUFOMAWIKLEZME-UHFFFAOYSA-N 1 0 368.193 3.352 20 10 FGCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000277147447 497756538 /nfs/dbraw/zinc/75/65/38/497756538.db2.gz PVFOCHFVLYVLOD-HNNXBMFYSA-N 1 0 350.478 3.224 20 10 FGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CS1 ZINC000277191819 497771654 /nfs/dbraw/zinc/77/16/54/497771654.db2.gz ITVTUWUFXLXPRU-DNVCBOLYSA-N 1 0 352.519 3.407 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000295953217 497867047 /nfs/dbraw/zinc/86/70/47/497867047.db2.gz ITXWYSSWNXVRFV-SVMVAKDDSA-N 1 0 374.525 3.070 20 10 FGCDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000301155764 497974680 /nfs/dbraw/zinc/97/46/80/497974680.db2.gz AALWTHSYWGJJPI-AWEZNQCLSA-N 1 0 362.817 3.425 20 10 FGCDRO O=C(NCC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)C(F)(F)F ZINC000281315825 498102423 /nfs/dbraw/zinc/10/24/23/498102423.db2.gz QVHDGHKFYYJIQI-UHFFFAOYSA-N 1 0 366.383 3.436 20 10 FGCDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(OC)c1OCC(F)F ZINC000289811315 498304721 /nfs/dbraw/zinc/30/47/21/498304721.db2.gz SBVSFUGANQZVKV-UHFFFAOYSA-N 1 0 353.365 3.343 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCC(=O)N2 ZINC000286251100 498339321 /nfs/dbraw/zinc/33/93/21/498339321.db2.gz UKFKTWQWDOHIBV-AWEZNQCLSA-N 1 0 351.450 3.251 20 10 FGCDRO CC[C@H]([NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000290308977 498503949 /nfs/dbraw/zinc/50/39/49/498503949.db2.gz ZOGOMWDSJHBSEV-LAUBAEHRSA-N 1 0 359.466 3.444 20 10 FGCDRO CC1CCN(c2ccc(CNc3cc(N4CCOCC4)ncn3)cc2)CC1 ZINC000302898299 498621028 /nfs/dbraw/zinc/62/10/28/498621028.db2.gz PUONQQPGTWQGJR-UHFFFAOYSA-N 1 0 367.497 3.162 20 10 FGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000294356591 498668156 /nfs/dbraw/zinc/66/81/56/498668156.db2.gz SYFZJLYADFBJSL-QGZVFWFLSA-N 1 0 354.494 3.322 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Cl)c1[O-] ZINC000287626905 498819153 /nfs/dbraw/zinc/81/91/53/498819153.db2.gz KCRVAUNPBJGCEC-GOSISDBHSA-N 1 0 374.916 3.433 20 10 FGCDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000366233550 498834908 /nfs/dbraw/zinc/83/49/08/498834908.db2.gz RMDFSTMMRGPAGF-AEFFLSMTSA-N 1 0 372.488 3.395 20 10 FGCDRO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1O ZINC000366305157 498866205 /nfs/dbraw/zinc/86/62/05/498866205.db2.gz PVLSRQZQIRHDAC-MSOLQXFVSA-N 1 0 366.461 3.000 20 10 FGCDRO COC1CCN(c2ccc(CN3CCOc4cc(O)ccc4C3)cc2)CC1 ZINC000295309609 498974628 /nfs/dbraw/zinc/97/46/28/498974628.db2.gz NDMJNLMULCPLIX-UHFFFAOYSA-N 1 0 368.477 3.402 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598010 499151547 /nfs/dbraw/zinc/15/15/47/499151547.db2.gz FCUVBDYVKKRPEZ-TZMCWYRMSA-N 1 0 358.442 3.023 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1O ZINC000370176150 499193243 /nfs/dbraw/zinc/19/32/43/499193243.db2.gz VGRMVJSDFBDHHM-KSSFIOAISA-N 1 0 361.873 3.232 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c(O)c1 ZINC000368330667 499286154 /nfs/dbraw/zinc/28/61/54/499286154.db2.gz HDUBNTNKPBSMHY-OAHLLOKOSA-N 1 0 354.450 3.362 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)ccc21 ZINC000371534243 499338944 /nfs/dbraw/zinc/33/89/44/499338944.db2.gz NDDXUCTXOBSANR-LAUBAEHRSA-N 1 0 369.509 3.071 20 10 FGCDRO c1nn([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c2ccccc12 ZINC000371581978 499344270 /nfs/dbraw/zinc/34/42/70/499344270.db2.gz SYXAQEJXYJVMEX-NRFANRHFSA-N 1 0 362.477 3.320 20 10 FGCDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000371697810 499356681 /nfs/dbraw/zinc/35/66/81/499356681.db2.gz BOQODZSJRAHHGG-SFHVURJKSA-N 1 0 374.481 3.124 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000373251109 499459789 /nfs/dbraw/zinc/45/97/89/499459789.db2.gz CNLKMVALEQUINJ-INIZCTEOSA-N 1 0 355.482 3.154 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(c2cc(C(=O)OC)ccn2)CC1)c1ccccc1O ZINC000373461724 499471259 /nfs/dbraw/zinc/47/12/59/499471259.db2.gz OEHGYJDLCKQJLC-SFHVURJKSA-N 1 0 369.465 3.284 20 10 FGCDRO CCn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)C1CCOCC1 ZINC000375245129 499498712 /nfs/dbraw/zinc/49/87/12/499498712.db2.gz PBFSGXWWQIWLRZ-HXUWFJFHSA-N 1 0 354.498 3.153 20 10 FGCDRO FC1(c2cccnc2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375301084 499504490 /nfs/dbraw/zinc/50/44/90/499504490.db2.gz DWSWITCAFDGNSJ-UHFFFAOYSA-N 1 0 355.457 3.379 20 10 FGCDRO COc1c(O)c(C[NH+]2CCC(F)(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000375300464 499504500 /nfs/dbraw/zinc/50/45/00/499504500.db2.gz AZAFUBJKVUUJRX-UHFFFAOYSA-N 1 0 361.373 3.165 20 10 FGCDRO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000375399278 499513857 /nfs/dbraw/zinc/51/38/57/499513857.db2.gz AOEMATFBWIGSRP-VSKRKVRLSA-N 1 0 358.526 3.429 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000378440704 499517109 /nfs/dbraw/zinc/51/71/09/499517109.db2.gz DMXKAQXTEKBBFI-FQEVSTJZSA-N 1 0 352.434 3.349 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1O ZINC000375439899 499519397 /nfs/dbraw/zinc/51/93/97/499519397.db2.gz UMEKWWKQJPZDGP-LBPRGKRZSA-N 1 0 361.829 3.498 20 10 FGCDRO c1c2ccccc2nn1[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000378572550 499533153 /nfs/dbraw/zinc/53/31/53/499533153.db2.gz CJXPXIJJRFELHM-NRFANRHFSA-N 1 0 362.477 3.320 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1O ZINC000375875068 499564071 /nfs/dbraw/zinc/56/40/71/499564071.db2.gz SDNRDADAFCXFJA-ZWKOTPCHSA-N 1 0 364.873 3.224 20 10 FGCDRO Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3cc4c(cc3O)CCCC4)C2)no1 ZINC000376304782 499599123 /nfs/dbraw/zinc/59/91/23/499599123.db2.gz HDYYNVHCQVXPIH-KDOFPFPSSA-N 1 0 370.497 3.278 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000376895198 499644335 /nfs/dbraw/zinc/64/43/35/499644335.db2.gz WAAAGDAKCBTSQO-HOTGVXAUSA-N 1 0 353.466 3.119 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1O ZINC000377757154 499729209 /nfs/dbraw/zinc/72/92/09/499729209.db2.gz UHUOUBKDTVZDTL-WCQYABFASA-N 1 0 350.260 3.476 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1C ZINC000377832927 499740268 /nfs/dbraw/zinc/74/02/68/499740268.db2.gz VWMNPLLMUKYAKX-QGZVFWFLSA-N 1 0 356.470 3.024 20 10 FGCDRO CCCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@H]1CC[NH2+]C1 ZINC000579487734 506187445 /nfs/dbraw/zinc/18/74/45/506187445.db2.gz GQKLBZVJIBMRNA-SFHVURJKSA-N 1 0 357.498 3.119 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](C)[C@H]2C)C1 ZINC000435911265 501045416 /nfs/dbraw/zinc/04/54/16/501045416.db2.gz KGCODUPZVHCSMQ-IAGOWNOFSA-N 1 0 369.509 3.044 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000471772671 502132674 /nfs/dbraw/zinc/13/26/74/502132674.db2.gz SRGNWHOEGVRZEB-MRXNPFEDSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000471839884 502150979 /nfs/dbraw/zinc/15/09/79/502150979.db2.gz PXDBUNVYSWRWTA-IBGZPJMESA-N 1 0 356.514 3.406 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)ccc21 ZINC000467030185 502763802 /nfs/dbraw/zinc/76/38/02/502763802.db2.gz DFGFQUNFQVCQMN-VLIAUNLRSA-N 1 0 369.509 3.117 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000503398793 503400874 /nfs/dbraw/zinc/40/08/74/503400874.db2.gz WNCXHMHSUUFITI-SJPCQFCGSA-N 1 0 354.498 3.253 20 10 FGCDRO COc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)c(O)c1 ZINC000529230372 504594407 /nfs/dbraw/zinc/59/44/07/504594407.db2.gz VUXHVLKURYSBGG-GOSISDBHSA-N 1 0 374.868 3.335 20 10 FGCDRO C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927696 604764648 /nfs/dbraw/zinc/76/46/48/604764648.db2.gz BNIQBXMZLBNFDT-BEFAXECRSA-N 1 0 354.450 3.160 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[NH+](CC)CC ZINC000073416997 695968812 /nfs/dbraw/zinc/96/88/12/695968812.db2.gz BXZOTXQJXXXZLT-UHFFFAOYSA-N 1 0 372.307 3.028 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000092754487 700441107 /nfs/dbraw/zinc/44/11/07/700441107.db2.gz JCQYCPFZSBGWJL-UHFFFAOYSA-N 1 0 350.459 3.091 20 10 FGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(Br)ccc2O)cc1 ZINC000093415238 700451582 /nfs/dbraw/zinc/45/15/82/700451582.db2.gz YCXFTRPKWUHMAK-MRXNPFEDSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116439898 700593582 /nfs/dbraw/zinc/59/35/82/700593582.db2.gz KJUDJZKNYQDPOJ-SUMWQHHRSA-N 1 0 351.491 3.127 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000120193612 700650306 /nfs/dbraw/zinc/65/03/06/700650306.db2.gz FRNZNCNIWGFQKL-BZUAXINKSA-N 1 0 352.906 3.378 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122729550 700694876 /nfs/dbraw/zinc/69/48/76/700694876.db2.gz GIKMGIUAOXBFGV-CQSZACIVSA-N 1 0 364.486 3.454 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(Br)cc1O ZINC000130390998 700801381 /nfs/dbraw/zinc/80/13/81/700801381.db2.gz JGACOEZPCLBUBH-DOMZBBRYSA-N 1 0 350.256 3.409 20 10 FGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000132308586 700826018 /nfs/dbraw/zinc/82/60/18/700826018.db2.gz WWIYXQYBHSUYSD-LBPRGKRZSA-N 1 0 356.538 3.380 20 10 FGCDRO CC1CC[NH+](CCCCNC(=O)NCCCSc2nccs2)CC1 ZINC000152246830 704956504 /nfs/dbraw/zinc/95/65/04/704956504.db2.gz PPXXLWNQZOXZKM-UHFFFAOYSA-N 1 0 370.588 3.437 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000152740173 704972252 /nfs/dbraw/zinc/97/22/52/704972252.db2.gz FLMMRWOQFGFGRX-HNNXBMFYSA-N 1 0 363.479 3.051 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000154611370 705041249 /nfs/dbraw/zinc/04/12/49/705041249.db2.gz ZRNOPCKHHMBJCQ-OAHLLOKOSA-N 1 0 368.572 3.285 20 10 FGCDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154698319 705045001 /nfs/dbraw/zinc/04/50/01/705045001.db2.gz TUTJQUNFVXWLKM-IRXDYDNUSA-N 1 0 352.494 3.358 20 10 FGCDRO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164528573 705329896 /nfs/dbraw/zinc/32/98/96/705329896.db2.gz OYRANZFXBFJDEH-DLBZAZTESA-N 1 0 351.512 3.405 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)cc(OC)c2O)cc1O ZINC000171134438 705375851 /nfs/dbraw/zinc/37/58/51/705375851.db2.gz BWLFAUPVYMRFOJ-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc(O)c1O ZINC000187052848 712731772 /nfs/dbraw/zinc/73/17/72/712731772.db2.gz VEDRXIICLRDKFF-UHFFFAOYSA-N 1 0 358.463 3.207 20 10 FGCDRO CN(c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1)C1CCCCC1 ZINC000237054798 713587403 /nfs/dbraw/zinc/58/74/03/713587403.db2.gz JKQCHMJWYSYURT-QGZVFWFLSA-N 1 0 361.555 3.167 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000310659474 713800381 /nfs/dbraw/zinc/80/03/81/713800381.db2.gz SFXUVYJBFFJNJK-NHAGDIPZSA-N 1 0 368.861 3.009 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)c1O ZINC000374254325 713908050 /nfs/dbraw/zinc/90/80/50/713908050.db2.gz LSJUCCYALWZEOL-KBPBESRZSA-N 1 0 356.260 3.307 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1O ZINC000382731971 713980535 /nfs/dbraw/zinc/98/05/35/713980535.db2.gz LOBKUKTUAMRQNV-WAYWQWQTSA-N 1 0 356.850 3.225 20 10 FGCDRO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000779060197 724385782 /nfs/dbraw/zinc/38/57/82/724385782.db2.gz GRZLMHLOVSYBEF-UHFFFAOYSA-N 1 0 367.218 3.331 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1C(F)(F)F ZINC000779094278 724389671 /nfs/dbraw/zinc/38/96/71/724389671.db2.gz PLLZNLORYAYTPV-GFCCVEGCSA-N 1 0 357.347 3.491 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC000802655039 724398068 /nfs/dbraw/zinc/39/80/68/724398068.db2.gz PDDUCXOGBRADFM-IBGZPJMESA-N 1 0 350.459 3.138 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000779528951 724417340 /nfs/dbraw/zinc/41/73/40/724417340.db2.gz BPYOCDJBSVUEHU-IGKXFLDPSA-N 1 0 360.841 3.184 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1c1cccc(C(F)(F)F)c1 ZINC000749924999 722748147 /nfs/dbraw/zinc/74/81/47/722748147.db2.gz ULVUWDQVNXQVAD-AWEZNQCLSA-N 1 0 350.340 3.306 20 10 FGCDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cc(Br)ccc1O ZINC000756635657 722968070 /nfs/dbraw/zinc/96/80/70/722968070.db2.gz GMOVHUTYQGBWFD-ABAIWWIYSA-N 1 0 359.333 3.243 20 10 FGCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000769468221 723686507 /nfs/dbraw/zinc/68/65/07/723686507.db2.gz DDJJJEZKNZWFMY-SFHVURJKSA-N 1 0 352.544 3.180 20 10 FGCDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(O)c1 ZINC000780984773 724519020 /nfs/dbraw/zinc/51/90/20/724519020.db2.gz NVFZHDCKSYKBRZ-INIZCTEOSA-N 1 0 360.841 3.146 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000706643493 722412248 /nfs/dbraw/zinc/41/22/48/722412248.db2.gz LQPBKMJOGHXEQH-HNNXBMFYSA-N 1 0 352.475 3.235 20 10 FGCDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000735487729 722516770 /nfs/dbraw/zinc/51/67/70/722516770.db2.gz XIGIXPXHGGXQLO-HNNXBMFYSA-N 1 0 362.817 3.425 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)c2ccsc2)ccc1N1CCCCC1 ZINC000740011843 722534697 /nfs/dbraw/zinc/53/46/97/722534697.db2.gz UKTVDCGVYLILKF-GOSISDBHSA-N 1 0 361.467 3.470 20 10 FGCDRO CCn1ccnc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742385201 722556653 /nfs/dbraw/zinc/55/66/53/722556653.db2.gz RWWLNHXMDRNYJO-CQSZACIVSA-N 1 0 350.413 3.263 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000742392592 722556778 /nfs/dbraw/zinc/55/67/78/722556778.db2.gz RMSDHMJONXMSBQ-DAYGRLMNSA-N 1 0 356.853 3.292 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1 ZINC000754085422 722926884 /nfs/dbraw/zinc/92/68/84/722926884.db2.gz LMNMOZPSUBQLFX-KRWDZBQOSA-N 1 0 360.523 3.236 20 10 FGCDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754727736 722944976 /nfs/dbraw/zinc/94/49/76/722944976.db2.gz OXFMSAKKJDXAMM-UHFFFAOYSA-N 1 0 350.503 3.437 20 10 FGCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000754735844 722945102 /nfs/dbraw/zinc/94/51/02/722945102.db2.gz DOAURCHABDZCBG-HNNXBMFYSA-N 1 0 350.459 3.150 20 10 FGCDRO O=C1[C@H]([NH2+]Cc2c(O)cccc2Cl)CCN1c1c(F)cccc1F ZINC000756148939 722961252 /nfs/dbraw/zinc/96/12/52/722961252.db2.gz HOSZXKPATCQTLN-CQSZACIVSA-N 1 0 352.768 3.219 20 10 FGCDRO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756408961 722964113 /nfs/dbraw/zinc/96/41/13/722964113.db2.gz UYUWGNFIYBUXFP-CYBMUJFWSA-N 1 0 360.329 3.377 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756434722 722964534 /nfs/dbraw/zinc/96/45/34/722964534.db2.gz OXBNQXMZAGHLIJ-MLGOLLRUSA-N 1 0 363.454 3.414 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756469516 722965181 /nfs/dbraw/zinc/96/51/81/722965181.db2.gz JDEDQOITWLUQKG-IAQYHMDHSA-N 1 0 364.442 3.241 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(O)c1C ZINC000756543471 722966552 /nfs/dbraw/zinc/96/65/52/722966552.db2.gz OZTWOXLZGAVVAE-KGLIPLIRSA-N 1 0 351.393 3.378 20 10 FGCDRO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(Br)cc1O ZINC000756589852 722967348 /nfs/dbraw/zinc/96/73/48/722967348.db2.gz BQJYYLAAFQXNAW-LBPRGKRZSA-N 1 0 362.267 3.335 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c2c1c(F)ccc2O ZINC000756743842 722969419 /nfs/dbraw/zinc/96/94/19/722969419.db2.gz WWAJZXILGGFXEI-NHYWBVRUSA-N 1 0 361.438 3.199 20 10 FGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000756761056 722969638 /nfs/dbraw/zinc/96/96/38/722969638.db2.gz PUEFPCNFLLIXAC-AWEZNQCLSA-N 1 0 368.524 3.008 20 10 FGCDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1 ZINC000759387136 723003757 /nfs/dbraw/zinc/00/37/57/723003757.db2.gz OBBAOCGRIJOQHA-HQPKTYMTSA-N 1 0 357.841 3.104 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1nnnn1C1CC1 ZINC000790754715 723174221 /nfs/dbraw/zinc/17/42/21/723174221.db2.gz JGCSBHGWZBIMTD-JGVFFNPUSA-N 1 0 370.226 3.027 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000763390600 723340296 /nfs/dbraw/zinc/34/02/96/723340296.db2.gz YUYJOUDTWBFIPU-SFHVURJKSA-N 1 0 358.507 3.108 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000793216428 723412507 /nfs/dbraw/zinc/41/25/07/723412507.db2.gz AMJULEALIFYBOL-NSHDSACASA-N 1 0 373.291 3.466 20 10 FGCDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764593844 723428288 /nfs/dbraw/zinc/42/82/88/723428288.db2.gz HQYFKLVUPWQWJU-NVXWUHKLSA-N 1 0 351.922 3.312 20 10 FGCDRO Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1O ZINC000793607239 723453977 /nfs/dbraw/zinc/45/39/77/723453977.db2.gz QMDGGNAHEGHUSV-UHFFFAOYSA-N 1 0 373.396 3.413 20 10 FGCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1ccc(C)cc1O ZINC000794816013 723547446 /nfs/dbraw/zinc/54/74/46/723547446.db2.gz MMJAIVSJJTWDKU-OAHLLOKOSA-N 1 0 368.524 3.090 20 10 FGCDRO CCN1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000766237436 723563871 /nfs/dbraw/zinc/56/38/71/723563871.db2.gz KTDGVXXXAQWLRV-MRXNPFEDSA-N 1 0 353.457 3.331 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000767710209 723630545 /nfs/dbraw/zinc/63/05/45/723630545.db2.gz FIZDTTDTTQJXEE-AWEZNQCLSA-N 1 0 353.384 3.367 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[N@@H+](C(C)C)CC2)c1O ZINC000768138699 723648025 /nfs/dbraw/zinc/64/80/25/723648025.db2.gz ROVXODMZCSRZRO-UHFFFAOYSA-N 1 0 357.292 3.079 20 10 FGCDRO COc1cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)ccc1SC ZINC000768444924 723657751 /nfs/dbraw/zinc/65/77/51/723657751.db2.gz OJPICJSRGKPRDJ-MRXNPFEDSA-N 1 0 361.463 3.181 20 10 FGCDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1O)OC[C@@H]3O)CCC2 ZINC000768463780 723658478 /nfs/dbraw/zinc/65/84/78/723658478.db2.gz WWNCPDRSLGZRSK-HOCLYGCPSA-N 1 0 360.479 3.346 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000769234025 723680201 /nfs/dbraw/zinc/68/02/01/723680201.db2.gz XLROHGNIBWGGPF-CQSZACIVSA-N 1 0 350.459 3.232 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000769291357 723681554 /nfs/dbraw/zinc/68/15/54/723681554.db2.gz NYLQQBOAFGPHAN-STQMWFEESA-N 1 0 369.303 3.376 20 10 FGCDRO COc1cccc(C[NH+]2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000769389649 723683923 /nfs/dbraw/zinc/68/39/23/723683923.db2.gz SFEJLMUPZJICPG-KBPBESRZSA-N 1 0 350.459 3.231 20 10 FGCDRO COc1cccc(O)c1C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769563240 723689785 /nfs/dbraw/zinc/68/97/85/723689785.db2.gz SKEYUZQIEOVEOU-UHFFFAOYSA-N 1 0 352.475 3.384 20 10 FGCDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000769997646 723702771 /nfs/dbraw/zinc/70/27/71/723702771.db2.gz VZVWRMYMFFZMAS-HNNXBMFYSA-N 1 0 352.906 3.380 20 10 FGCDRO C[NH+]1CCN(c2ccc(CN3CCSC[C@@H]3c3nccs3)cc2)CC1 ZINC000770676936 723718964 /nfs/dbraw/zinc/71/89/64/723718964.db2.gz RSMOXYWOKSMCPP-GOSISDBHSA-N 1 0 374.579 3.185 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1c1c(F)cccc1F ZINC000770751528 723720499 /nfs/dbraw/zinc/72/04/99/723720499.db2.gz YHZCHHUILJOATE-JTQLQIEISA-N 1 0 352.768 3.219 20 10 FGCDRO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1C ZINC000771052435 723726723 /nfs/dbraw/zinc/72/67/23/723726723.db2.gz FENOCFAIWJVTEO-INIZCTEOSA-N 1 0 361.873 3.087 20 10 FGCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000774486029 723899188 /nfs/dbraw/zinc/89/91/88/723899188.db2.gz HYZVGJIRYMUANU-XRTORIHISA-N 1 0 350.478 3.397 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](CO)CC2CCCC2)c1O ZINC000798504236 723938797 /nfs/dbraw/zinc/93/87/97/723938797.db2.gz YNKZVCINCCZQIP-ZDUSSCGKSA-N 1 0 372.303 3.442 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)CC1(CC(=O)OC)CC1 ZINC000799303962 724004345 /nfs/dbraw/zinc/00/43/45/724004345.db2.gz PJOLSYQUFIVQAG-UHFFFAOYSA-N 1 0 356.260 3.320 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1O ZINC000775674826 724022199 /nfs/dbraw/zinc/02/21/99/724022199.db2.gz LDUWUYIPSXTBPN-OAHLLOKOSA-N 1 0 350.260 3.497 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c1O ZINC000776498813 724151607 /nfs/dbraw/zinc/15/16/07/724151607.db2.gz PZAJJPRMFOVWRH-AMFBXLIHSA-N 1 0 358.276 3.312 20 10 FGCDRO NC(=O)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1Cl ZINC000776935321 724197255 /nfs/dbraw/zinc/19/72/55/724197255.db2.gz ACTNZALKHMFGMJ-GFCCVEGCSA-N 1 0 353.249 3.133 20 10 FGCDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000808695288 725213558 /nfs/dbraw/zinc/21/35/58/725213558.db2.gz KTURYAPTNXBHBX-DLBZAZTESA-N 1 0 352.544 3.226 20 10 FGCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808715011 725214623 /nfs/dbraw/zinc/21/46/23/725214623.db2.gz RJDJBMWPTILSFF-ZDUSSCGKSA-N 1 0 374.934 3.066 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)CC)c1 ZINC000809722854 725262614 /nfs/dbraw/zinc/26/26/14/725262614.db2.gz LCQZKSDMPIWPOI-INIZCTEOSA-N 1 0 350.459 3.234 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)CC)c1O ZINC000809723011 725262621 /nfs/dbraw/zinc/26/26/21/725262621.db2.gz OWOJYACQSHWVFH-INIZCTEOSA-N 1 0 350.459 3.234 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000809767805 725266603 /nfs/dbraw/zinc/26/66/03/725266603.db2.gz UOESEPKYJPPDGZ-WFASDCNBSA-N 1 0 369.303 3.079 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000813792886 726914670 /nfs/dbraw/zinc/91/46/70/726914670.db2.gz YBOUPHUIPLVDQC-KRWDZBQOSA-N 1 0 367.262 3.477 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000814170647 726944299 /nfs/dbraw/zinc/94/42/99/726944299.db2.gz BCMQDURSIQLLHY-SFHVURJKSA-N 1 0 352.544 3.322 20 10 FGCDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815055946 727027720 /nfs/dbraw/zinc/02/77/20/727027720.db2.gz UUMDUSLHUBGBTC-UHFFFAOYSA-N 1 0 359.543 3.187 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557006 727084043 /nfs/dbraw/zinc/08/40/43/727084043.db2.gz KHTWYYUAZCGJCU-CYBMUJFWSA-N 1 0 359.436 3.088 20 10 FGCDRO CC[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817898268 727287032 /nfs/dbraw/zinc/28/70/32/727287032.db2.gz DLEATQBIHXSWJE-WBAXXEDZSA-N 1 0 353.457 3.377 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000817961013 727289739 /nfs/dbraw/zinc/28/97/39/727289739.db2.gz WFFVPCVYYVTOTL-SSDOTTSWSA-N 1 0 366.097 3.305 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)cc1 ZINC000818941831 727328767 /nfs/dbraw/zinc/32/87/67/727328767.db2.gz SDLNVBUIRHWOKA-QGZVFWFLSA-N 1 0 352.400 3.465 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1F ZINC000818985674 727334350 /nfs/dbraw/zinc/33/43/50/727334350.db2.gz YIIDIVWAPNFOTC-KRWDZBQOSA-N 1 0 366.864 3.212 20 10 FGCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819290981 727364903 /nfs/dbraw/zinc/36/49/03/727364903.db2.gz PBHRFLINJMWLCY-AWEZNQCLSA-N 1 0 358.935 3.101 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000822526542 729190706 /nfs/dbraw/zinc/19/07/06/729190706.db2.gz WLKOSEHPKQTQGX-SFHVURJKSA-N 1 0 353.890 3.401 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000823442774 729281018 /nfs/dbraw/zinc/28/10/18/729281018.db2.gz IGKHBBZYLVMALS-IBGZPJMESA-N 1 0 360.523 3.358 20 10 FGCDRO C[C@H]1CN(CC[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000823818591 729306697 /nfs/dbraw/zinc/30/66/97/729306697.db2.gz IZOOMDYDBLBGDN-KRWDZBQOSA-N 1 0 359.539 3.195 20 10 FGCDRO COc1cccc(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1O ZINC000824383788 729334838 /nfs/dbraw/zinc/33/48/38/729334838.db2.gz VKQLLOUDSIZARI-OAHLLOKOSA-N 1 0 352.475 3.287 20 10 FGCDRO COc1cc(Br)cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1O ZINC000824445885 729339152 /nfs/dbraw/zinc/33/91/52/729339152.db2.gz NTFMLFRUGFEWIQ-GFCCVEGCSA-N 1 0 369.303 3.079 20 10 FGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)C(N)=O ZINC000824608147 729350379 /nfs/dbraw/zinc/35/03/79/729350379.db2.gz BJRCGWFVHFUMCJ-GFCCVEGCSA-N 1 0 369.303 3.268 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000824845958 729361820 /nfs/dbraw/zinc/36/18/20/729361820.db2.gz PNGCHRXYHZGMJX-JKSUJKDBSA-N 1 0 354.288 3.350 20 10 FGCDRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000825070342 729369808 /nfs/dbraw/zinc/36/98/08/729369808.db2.gz BSKGHRPWKWEQLZ-STQMWFEESA-N 1 0 371.319 3.132 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1cc(Br)ccc1F ZINC000825073166 729370021 /nfs/dbraw/zinc/37/00/21/729370021.db2.gz SBEGOVZUQHFFOQ-GFCCVEGCSA-N 1 0 368.246 3.235 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000825122309 729371696 /nfs/dbraw/zinc/37/16/96/729371696.db2.gz ZTCQDBYLZVENQS-UHFFFAOYSA-N 1 0 367.898 3.449 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1Cl ZINC000825490263 729385027 /nfs/dbraw/zinc/38/50/27/729385027.db2.gz VLZQARLQBFGWKJ-QGZVFWFLSA-N 1 0 359.857 3.030 20 10 FGCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825955368 729400862 /nfs/dbraw/zinc/40/08/62/729400862.db2.gz LGDQMQZNNBZXAN-SFHVURJKSA-N 1 0 362.267 3.291 20 10 FGCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000826920286 729419036 /nfs/dbraw/zinc/41/90/36/729419036.db2.gz GUJUZVQSOPKHPE-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)cc1OC ZINC000826922067 729419139 /nfs/dbraw/zinc/41/91/39/729419139.db2.gz YFGNNYRWQIXQSS-INIZCTEOSA-N 1 0 363.376 3.389 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)cc2Cl)C1 ZINC000831079807 729615765 /nfs/dbraw/zinc/61/57/65/729615765.db2.gz PQUUAAOFDFHFMQ-IFXJQAMLSA-N 1 0 364.921 3.128 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000832292197 729703042 /nfs/dbraw/zinc/70/30/42/729703042.db2.gz CRKZDBBEZZJYNM-KRWDZBQOSA-N 1 0 366.292 3.418 20 10 FGCDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834798883 729835206 /nfs/dbraw/zinc/83/52/06/729835206.db2.gz QPDQLJSCALGDHB-OAHLLOKOSA-N 1 0 359.857 3.255 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1O ZINC000834914006 729846011 /nfs/dbraw/zinc/84/60/11/729846011.db2.gz KBFLKSQWOUBWJC-AEGPPILISA-N 1 0 367.287 3.349 20 10 FGCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052440 729853020 /nfs/dbraw/zinc/85/30/20/729853020.db2.gz OJTHGYHAFKEFRP-BDUNBXCCSA-N 1 0 356.388 3.193 20 10 FGCDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000835083210 729857710 /nfs/dbraw/zinc/85/77/10/729857710.db2.gz RTIAQFMORWKQTH-HNNXBMFYSA-N 1 0 370.877 3.161 20 10 FGCDRO COC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000840759104 730170439 /nfs/dbraw/zinc/17/04/39/730170439.db2.gz KAOZTKRYXLLNGL-SFHVURJKSA-N 1 0 354.441 3.096 20 10 FGCDRO CCS(=O)(=O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000840889128 730188649 /nfs/dbraw/zinc/18/86/49/730188649.db2.gz OSMALSOLNJSZLK-IBGZPJMESA-N 1 0 361.507 3.481 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000840928265 730192739 /nfs/dbraw/zinc/19/27/39/730192739.db2.gz MZUVYEGRDGIJPL-IBGZPJMESA-N 1 0 359.539 3.286 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c(Cl)c1 ZINC000840942963 730194755 /nfs/dbraw/zinc/19/47/55/730194755.db2.gz NJZCQMFCJIGOSK-UHFFFAOYSA-N 1 0 367.898 3.101 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c(Cl)c1 ZINC000840947966 730195531 /nfs/dbraw/zinc/19/55/31/730195531.db2.gz IBBFGPWKFRPOPH-CQSZACIVSA-N 1 0 351.878 3.124 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000840963243 730198225 /nfs/dbraw/zinc/19/82/25/730198225.db2.gz MMCNJMBMYQNDMP-PXNSSMCTSA-N 1 0 360.523 3.262 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(F)cc2Br)cc1 ZINC000841042378 730205305 /nfs/dbraw/zinc/20/53/05/730205305.db2.gz IZNQEHULGVWTBJ-QGZVFWFLSA-N 1 0 366.278 3.444 20 10 FGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000841041218 730205387 /nfs/dbraw/zinc/20/53/87/730205387.db2.gz BZRYCMWNOLLDFQ-MRXNPFEDSA-N 1 0 364.287 3.010 20 10 FGCDRO COc1cc(F)cc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000841494525 730248911 /nfs/dbraw/zinc/24/89/11/730248911.db2.gz CEBHWYHTFLPXBW-OQLLNIDSSA-N 1 0 366.483 3.130 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841746230 730270153 /nfs/dbraw/zinc/27/01/53/730270153.db2.gz WKLDQVADLOEHSQ-ZDUSSCGKSA-N 1 0 362.857 3.411 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(Cl)cc1O ZINC000841752707 730270772 /nfs/dbraw/zinc/27/07/72/730270772.db2.gz VFSFEGOARXOUJH-QWHCGFSZSA-N 1 0 357.841 3.495 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2Cl)C1 ZINC000841897425 730284204 /nfs/dbraw/zinc/28/42/04/730284204.db2.gz SWNLKKUFIDNKKL-ZDUSSCGKSA-N 1 0 352.910 3.113 20 10 FGCDRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC000841897194 730284258 /nfs/dbraw/zinc/28/42/58/730284258.db2.gz RLIVXJWXKNVMDC-GOEBONIOSA-N 1 0 364.921 3.080 20 10 FGCDRO C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1cc(F)ccc1O ZINC000842899143 730555066 /nfs/dbraw/zinc/55/50/66/730555066.db2.gz BBLHXKKNTHSETG-CYBMUJFWSA-N 1 0 353.434 3.320 20 10 FGCDRO Cc1sc2[nH]c(CN3CCCc4cc(C[NH3+])ccc43)nc(=O)c2c1C ZINC000843350576 730609629 /nfs/dbraw/zinc/60/96/29/730609629.db2.gz PFDLMNGUDOIUCJ-UHFFFAOYSA-N 1 0 354.479 3.425 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000843456180 730622539 /nfs/dbraw/zinc/62/25/39/730622539.db2.gz YMVFQFJLFBBDQO-LLVKDONJSA-N 1 0 364.287 3.324 20 10 FGCDRO COc1ccc(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000845967283 730913342 /nfs/dbraw/zinc/91/33/42/730913342.db2.gz NSQOSGZGOXSKLE-UHFFFAOYSA-N 1 0 350.459 3.184 20 10 FGCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000845971052 730913482 /nfs/dbraw/zinc/91/34/82/730913482.db2.gz GXILUBUIJYYFLM-JHJVBQTASA-N 1 0 357.397 3.419 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000846145351 730932123 /nfs/dbraw/zinc/93/21/23/730932123.db2.gz OAKPSFQMHWIZQW-UONOGXRCSA-N 1 0 350.459 3.451 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1O ZINC000846157318 730932649 /nfs/dbraw/zinc/93/26/49/730932649.db2.gz KAULXXWVWJMGHX-DOMZBBRYSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)c1O ZINC000848548370 731179299 /nfs/dbraw/zinc/17/92/99/731179299.db2.gz WHNBPCJDLWZUOY-COPLHBTASA-N 1 0 358.276 3.365 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)[C@@H](O)C(F)F ZINC000848552219 731180650 /nfs/dbraw/zinc/18/06/50/731180650.db2.gz AFYZUCYUIRUIRG-LCWDIZFYSA-N 1 0 368.218 3.219 20 10 FGCDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000848986875 731223734 /nfs/dbraw/zinc/22/37/34/731223734.db2.gz JEDDSPRENNEAJH-UONOGXRCSA-N 1 0 352.910 3.225 20 10 FGCDRO CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000850355317 731347269 /nfs/dbraw/zinc/34/72/69/731347269.db2.gz DSFJQCAVFWOAHW-PKOBYXMFSA-N 1 0 364.555 3.227 20 10 FGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850356883 731347638 /nfs/dbraw/zinc/34/76/38/731347638.db2.gz SHDMCUZTROEBMO-BEWRWRNKSA-N 1 0 353.528 3.478 20 10 FGCDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Cl)c1Cl ZINC000850401859 731352629 /nfs/dbraw/zinc/35/26/29/731352629.db2.gz AZLIRQMQOJCUDL-GFCCVEGCSA-N 1 0 356.205 3.251 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3F)cc2)CC1 ZINC000850406836 731353357 /nfs/dbraw/zinc/35/33/57/731353357.db2.gz WAJPHGWPSZAUMX-UHFFFAOYSA-N 1 0 350.384 3.355 20 10 FGCDRO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557120 731372791 /nfs/dbraw/zinc/37/27/91/731372791.db2.gz UOWXDJJBHJCMKM-JKSUJKDBSA-N 1 0 351.922 3.312 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093280 731664313 /nfs/dbraw/zinc/66/43/13/731664313.db2.gz HRCAEFFAKLTCKF-CQSZACIVSA-N 1 0 353.304 3.366 20 10 FGCDRO CO[C@@H](CC(C)C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000857471840 732133091 /nfs/dbraw/zinc/13/30/91/732133091.db2.gz CCDSSWCJFMKGIR-WMZOPIPTSA-N 1 0 368.905 3.187 20 10 FGCDRO CCOCc1cc(C[NH2+]CC2CCN(CC(F)F)CC2)ccc1OC ZINC000857784680 732160368 /nfs/dbraw/zinc/16/03/68/732160368.db2.gz RRUQIDLYPKVULI-UHFFFAOYSA-N 1 0 356.457 3.298 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1 ZINC000858326638 732203468 /nfs/dbraw/zinc/20/34/68/732203468.db2.gz YWTQJJWELAIDIN-XJKSGUPXSA-N 1 0 350.459 3.278 20 10 FGCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000861630783 732712205 /nfs/dbraw/zinc/71/22/05/732712205.db2.gz VHMXLAUTOHSUFN-JKIFEVAISA-N 1 0 364.921 3.126 20 10 FGCDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000861631174 732712603 /nfs/dbraw/zinc/71/26/03/732712603.db2.gz ZRYDWCOXKBDVKL-KGLIPLIRSA-N 1 0 352.910 3.065 20 10 FGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000862227411 732789996 /nfs/dbraw/zinc/78/99/96/732789996.db2.gz OHZVPWYXPUVJBI-LLVKDONJSA-N 1 0 352.232 3.226 20 10 FGCDRO CC1(C2CC[NH+](Cc3c(O)cccc3Br)CC2)OCCO1 ZINC000862244013 732796215 /nfs/dbraw/zinc/79/62/15/732796215.db2.gz HWDCRDDNHXPMMH-UHFFFAOYSA-N 1 0 356.260 3.130 20 10 FGCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000862302967 732806874 /nfs/dbraw/zinc/80/68/74/732806874.db2.gz GTXQPGRLAOMQRZ-QVKFZJNVSA-N 1 0 368.296 3.364 20 10 FGCDRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC000862525455 732842775 /nfs/dbraw/zinc/84/27/75/732842775.db2.gz BKWCQVHMLYHTKP-UHFFFAOYSA-N 1 0 358.866 3.019 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(C(F)F)nc3)SC2=S)CC1 ZINC000864355734 733049296 /nfs/dbraw/zinc/04/92/96/733049296.db2.gz IWIQKQPSXMCJMS-MDWZMJQESA-N 1 0 369.462 3.315 20 10 FGCDRO COCCc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000865432458 733199385 /nfs/dbraw/zinc/19/93/85/733199385.db2.gz XWBZMKGRWACATI-OAHLLOKOSA-N 1 0 361.511 3.019 20 10 FGCDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)F ZINC000865440366 733201500 /nfs/dbraw/zinc/20/15/00/733201500.db2.gz IAGHBBCXNDFLLQ-CQSZACIVSA-N 1 0 356.413 3.260 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccnc3Br)C2)cc1 ZINC000865622099 733240229 /nfs/dbraw/zinc/24/02/29/733240229.db2.gz LQGZKPCIXSEWNL-AWEZNQCLSA-N 1 0 362.271 3.221 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1O ZINC000866530418 733361408 /nfs/dbraw/zinc/36/14/08/733361408.db2.gz ASYSFBZNSOMZKD-TZMCWYRMSA-N 1 0 370.287 3.391 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000872077651 735585847 /nfs/dbraw/zinc/58/58/47/735585847.db2.gz KPIVBLWPBVYOOV-QAPCUYQASA-N 1 0 354.441 3.096 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000872112889 735589807 /nfs/dbraw/zinc/58/98/07/735589807.db2.gz LPPREFAYJVCDIY-GHMZBOCLSA-N 1 0 372.259 3.157 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876698633 736133501 /nfs/dbraw/zinc/13/35/01/736133501.db2.gz KXRZPLYSDHFJBQ-LJLILKBBSA-N 1 0 367.287 3.059 20 10 FGCDRO FC(F)(F)c1nc2n(c1C[NH2+]Cc1ccc3c(c1)CCO3)CCCC2 ZINC000876995107 736172743 /nfs/dbraw/zinc/17/27/43/736172743.db2.gz AJORKOJGHQVFTG-UHFFFAOYSA-N 1 0 351.372 3.463 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccc(Cl)nn2)C1 ZINC000877033783 736178127 /nfs/dbraw/zinc/17/81/27/736178127.db2.gz NRELKGSCJUJDRF-OAHLLOKOSA-N 1 0 367.280 3.243 20 10 FGCDRO Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c(O)c1 ZINC000877546868 736682283 /nfs/dbraw/zinc/68/22/83/736682283.db2.gz XQIQHKAKIAQMEG-HNNXBMFYSA-N 1 0 354.219 3.425 20 10 FGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000877814982 736727235 /nfs/dbraw/zinc/72/72/35/736727235.db2.gz ZERHESCIXWURSZ-QGZVFWFLSA-N 1 0 357.523 3.402 20 10 FGCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000883108426 737524417 /nfs/dbraw/zinc/52/44/17/737524417.db2.gz HKAPULIPAGOVNJ-UHFFFAOYSA-N 1 0 357.267 3.400 20 10 FGCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000883679166 737592268 /nfs/dbraw/zinc/59/22/68/737592268.db2.gz BIJIVGSJUCHVSY-OAHLLOKOSA-N 1 0 358.511 3.060 20 10 FGCDRO Cc1csc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)n1 ZINC000884472771 737666601 /nfs/dbraw/zinc/66/66/01/737666601.db2.gz HURJBAMQGHOBDN-CXAGYDPISA-N 1 0 360.479 3.038 20 10 FGCDRO CC[C@H](CC(F)(F)F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248349 739885994 /nfs/dbraw/zinc/88/59/94/739885994.db2.gz LQTIWKLDVCLQQW-CZUORRHYSA-N 1 0 359.436 3.450 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNCc3nc(C)c(C)s3)cc2F)CC1 ZINC000892905509 740056371 /nfs/dbraw/zinc/05/63/71/740056371.db2.gz MMXIPACASBVHOJ-UHFFFAOYSA-N 1 0 362.518 3.331 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c(O)c1OC ZINC000893616248 742177605 /nfs/dbraw/zinc/17/76/05/742177605.db2.gz FPVDDLDIPHFDKS-GOSISDBHSA-N 1 0 351.830 3.060 20 10 FGCDRO COC(=O)c1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000894216886 742253706 /nfs/dbraw/zinc/25/37/06/742253706.db2.gz VEPSMOQOZUHWOH-UHFFFAOYSA-N 1 0 360.479 3.302 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)c1 ZINC000894503225 742292590 /nfs/dbraw/zinc/29/25/90/742292590.db2.gz ZRTDBJMFTKQZJF-HSBZDZAISA-N 1 0 350.459 3.355 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894940194 742354695 /nfs/dbraw/zinc/35/46/95/742354695.db2.gz RCOPOBBLEAXZSA-ZYSHUDEJSA-N 1 0 350.478 3.215 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1OC ZINC000898164583 742751562 /nfs/dbraw/zinc/75/15/62/742751562.db2.gz NAGZYCCNRWOQPG-UONOGXRCSA-N 1 0 351.443 3.009 20 10 FGCDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899157412 742882408 /nfs/dbraw/zinc/88/24/08/742882408.db2.gz FVRVQCJHEYAPLY-UHFFFAOYSA-N 1 0 360.479 3.403 20 10 FGCDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899553471 742970851 /nfs/dbraw/zinc/97/08/51/742970851.db2.gz LPQYOQAEIKGASB-UHFFFAOYSA-N 1 0 360.479 3.403 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cc1O ZINC000903391273 743843910 /nfs/dbraw/zinc/84/39/10/743843910.db2.gz XFPDKTJSFHSEBV-IAQYHMDHSA-N 1 0 356.260 3.143 20 10 FGCDRO CC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)ccc1O ZINC000903422150 743847562 /nfs/dbraw/zinc/84/75/62/743847562.db2.gz ZQKQKNIQKGQWHQ-AWEZNQCLSA-N 1 0 366.259 3.122 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000903479233 743855306 /nfs/dbraw/zinc/85/53/06/743855306.db2.gz KKADTTGAVMUOAK-NWDGAFQWSA-N 1 0 350.260 3.325 20 10 FGCDRO FC(F)(F)[C@H]1CC[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922680135 758977594 /nfs/dbraw/zinc/97/75/94/758977594.db2.gz TZLNSTWNABBRIS-IAGOWNOFSA-N 1 0 358.404 3.113 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)cc1 ZINC000926908127 759842556 /nfs/dbraw/zinc/84/25/56/759842556.db2.gz NGPRIGJHXUETOD-MRXNPFEDSA-N 1 0 360.523 3.440 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000926911699 759846141 /nfs/dbraw/zinc/84/61/41/759846141.db2.gz UICAKKWDACIMIW-MRXNPFEDSA-N 1 0 360.523 3.440 20 10 FGCDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000779018239 724381360 /nfs/dbraw/zinc/38/13/60/724381360.db2.gz KSPRSZNEVDCQPS-AWEZNQCLSA-N 1 0 360.420 3.183 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1O ZINC000779022769 724382178 /nfs/dbraw/zinc/38/21/78/724382178.db2.gz ZRLWERCZNGDBFI-ZDUSSCGKSA-N 1 0 371.319 3.225 20 10 FGCDRO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)cc1 ZINC000091977177 494739874 /nfs/dbraw/zinc/73/98/74/494739874.db2.gz DXHWGZPPCPMVCO-QGZVFWFLSA-N 1 0 356.422 3.013 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000092071670 494778054 /nfs/dbraw/zinc/77/80/54/494778054.db2.gz AOLMHJUHANJAMD-LLVKDONJSA-N 1 0 366.259 3.266 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1F ZINC000093454631 494893242 /nfs/dbraw/zinc/89/32/42/494893242.db2.gz BKRDOLOZUWFHMO-FQEVSTJZSA-N 1 0 374.504 3.351 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000093505247 494896350 /nfs/dbraw/zinc/89/63/50/494896350.db2.gz NNFINZFPVUGZKE-RISCZKNCSA-N 1 0 356.260 3.164 20 10 FGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000093842186 494926920 /nfs/dbraw/zinc/92/69/20/494926920.db2.gz HKAVVCZAWMMMSC-QFIPXVFZSA-N 1 0 374.525 3.073 20 10 FGCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3c(O)cccc3Cl)cc2)C1 ZINC000127484561 494951775 /nfs/dbraw/zinc/95/17/75/494951775.db2.gz TVBHKSRFLOQGFZ-OAHLLOKOSA-N 1 0 373.884 3.355 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1O ZINC000185353828 495544287 /nfs/dbraw/zinc/54/42/87/495544287.db2.gz YNACKIZKIURWSW-GOSISDBHSA-N 1 0 358.413 3.123 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000158606770 495549158 /nfs/dbraw/zinc/54/91/58/495549158.db2.gz ADEYETBORYTHHA-GJZGRUSLSA-N 1 0 363.479 3.222 20 10 FGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)c2ccc(F)cc2C1 ZINC000185365998 495550368 /nfs/dbraw/zinc/55/03/68/495550368.db2.gz KSDOFYHMAKHJBM-OAQYLSRUSA-N 1 0 355.457 3.475 20 10 FGCDRO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185367414 495550699 /nfs/dbraw/zinc/55/06/99/495550699.db2.gz AEYRVGRWPIPREO-ZDUSSCGKSA-N 1 0 360.329 3.377 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000179506348 495620243 /nfs/dbraw/zinc/62/02/43/495620243.db2.gz IDCJBKWNHNNBTM-ZDUSSCGKSA-N 1 0 358.417 3.109 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000180013304 495822897 /nfs/dbraw/zinc/82/28/97/495822897.db2.gz OJYLRFHQUJSSTO-UHFFFAOYSA-N 1 0 358.413 3.391 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc(Br)ccc1O ZINC000186179018 495885319 /nfs/dbraw/zinc/88/53/19/495885319.db2.gz ABKDTHRTAAIAEO-LLVKDONJSA-N 1 0 350.260 3.467 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1cc(Br)ccc1O ZINC000155317140 495915970 /nfs/dbraw/zinc/91/59/70/495915970.db2.gz HTXNLUOFVZPMAK-MRXNPFEDSA-N 1 0 371.319 3.306 20 10 FGCDRO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000180382511 495973384 /nfs/dbraw/zinc/97/33/84/495973384.db2.gz UTAPGOZUCXHADI-UZLBHIALSA-N 1 0 365.477 3.300 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183454276 495990962 /nfs/dbraw/zinc/99/09/62/495990962.db2.gz MYEBVVJVJFTJCL-HNNXBMFYSA-N 1 0 362.495 3.274 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1O ZINC000183458486 495993514 /nfs/dbraw/zinc/99/35/14/495993514.db2.gz ZKAINLIGPOIKAP-ZACQAIPSSA-N 1 0 368.477 3.492 20 10 FGCDRO c1ccc2c(c1)CO[C@@]21CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000186444816 496001430 /nfs/dbraw/zinc/00/14/30/496001430.db2.gz GPRSJCBRNHLAGT-JOCHJYFZSA-N 1 0 350.462 3.155 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(Br)ccc1O ZINC000155586933 496004548 /nfs/dbraw/zinc/00/45/48/496004548.db2.gz JPAYDVJSCLCOQI-GXTWGEPZSA-N 1 0 365.275 3.110 20 10 FGCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(F)ccc3O)cc2)C[C@H](C)O1 ZINC000180520563 496031146 /nfs/dbraw/zinc/03/11/46/496031146.db2.gz CJMVMZFTISVEDL-GASCZTMLSA-N 1 0 372.440 3.071 20 10 FGCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180829933 496162364 /nfs/dbraw/zinc/16/23/64/496162364.db2.gz KYKDUGJKMJDOIZ-LHUXKHBRSA-N 1 0 366.461 3.092 20 10 FGCDRO C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC000181120525 496277890 /nfs/dbraw/zinc/27/78/90/496277890.db2.gz AOYXSHIQNKHFIF-QHAKIZEFSA-N 1 0 372.490 3.372 20 10 FGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000187156912 496317381 /nfs/dbraw/zinc/31/73/81/496317381.db2.gz XOPCEEBQOFKOJJ-KRWDZBQOSA-N 1 0 354.450 3.082 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000184710730 496502433 /nfs/dbraw/zinc/50/24/33/496502433.db2.gz RGVPZBPWRDLJES-OAHLLOKOSA-N 1 0 374.868 3.193 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C)c1 ZINC000163402691 496512050 /nfs/dbraw/zinc/51/20/50/496512050.db2.gz PQWZJNVXAQFPDV-ZDUSSCGKSA-N 1 0 368.403 3.126 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178656356 496530346 /nfs/dbraw/zinc/53/03/46/496530346.db2.gz UTHBVAPIQDGCDK-YLJYHZDGSA-N 1 0 372.484 3.479 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000163779660 496556867 /nfs/dbraw/zinc/55/68/67/496556867.db2.gz RFBZWJBWZWITPW-KRWDZBQOSA-N 1 0 369.509 3.461 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000164301411 496603178 /nfs/dbraw/zinc/60/31/78/496603178.db2.gz XITZLJMANKLNAD-APWZRJJASA-N 1 0 352.478 3.302 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000273303107 496768107 /nfs/dbraw/zinc/76/81/07/496768107.db2.gz VCVGGPQXGCSDSE-NHCUHLMSSA-N 1 0 366.509 3.380 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)cc1 ZINC000191905428 496926237 /nfs/dbraw/zinc/92/62/37/496926237.db2.gz KBSJHDYDXSMDCW-NRFANRHFSA-N 1 0 355.482 3.496 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270209505 497077847 /nfs/dbraw/zinc/07/78/47/497077847.db2.gz ZXFKBWNJOYAKRX-AZUAARDMSA-N 1 0 366.465 3.459 20 10 FGCDRO c1ccc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000192377166 497094837 /nfs/dbraw/zinc/09/48/37/497094837.db2.gz UBRMCRLIDYCOSZ-UNMCSNQZSA-N 1 0 352.478 3.391 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278448903 497117348 /nfs/dbraw/zinc/11/73/48/497117348.db2.gz XNOLMOOQXTYTMF-OTYXRUKQSA-N 1 0 353.768 3.189 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1O ZINC000274742018 497156185 /nfs/dbraw/zinc/15/61/85/497156185.db2.gz AHXKCYLSXQUFBJ-RDTXWAMCSA-N 1 0 362.495 3.444 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000274815976 497173451 /nfs/dbraw/zinc/17/34/51/497173451.db2.gz WLGRSZHYCDKEQS-FQEVSTJZSA-N 1 0 354.498 3.225 20 10 FGCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000274978588 497210487 /nfs/dbraw/zinc/21/04/87/497210487.db2.gz WVEJRFBWCNVFCB-OAHLLOKOSA-N 1 0 354.450 3.055 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000271719834 497428002 /nfs/dbraw/zinc/42/80/02/497428002.db2.gz JMMDRWGZIUNKSM-UHFFFAOYSA-N 1 0 350.459 3.138 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1O ZINC000279633178 497493118 /nfs/dbraw/zinc/49/31/18/497493118.db2.gz ZHUFPSUTZRHJRV-GFCCVEGCSA-N 1 0 365.271 3.321 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000279945262 497598280 /nfs/dbraw/zinc/59/82/80/497598280.db2.gz BKLTXGSSLMZCJQ-ZDUSSCGKSA-N 1 0 352.525 3.459 20 10 FGCDRO CNC(=O)C1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280001298 497615710 /nfs/dbraw/zinc/61/57/10/497615710.db2.gz RUHLWRFXRWQPPG-UHFFFAOYSA-N 1 0 357.420 3.166 20 10 FGCDRO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272521902 497650771 /nfs/dbraw/zinc/65/07/71/497650771.db2.gz NSSYCBXLNKIFPB-HKUYNNGSSA-N 1 0 367.493 3.444 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)ccc21 ZINC000277116565 497746491 /nfs/dbraw/zinc/74/64/91/497746491.db2.gz FBQLTQXGLCRYRJ-IBGZPJMESA-N 1 0 371.525 3.461 20 10 FGCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCN1CCC(O)CC1 ZINC000295864349 497834328 /nfs/dbraw/zinc/83/43/28/497834328.db2.gz FSBOIMFRWAUDDN-OAQYLSRUSA-N 1 0 354.494 3.112 20 10 FGCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000364416337 497944527 /nfs/dbraw/zinc/94/45/27/497944527.db2.gz LMWKBXAHAYBRFD-GPMSIDNRSA-N 1 0 360.498 3.191 20 10 FGCDRO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000360171560 498251682 /nfs/dbraw/zinc/25/16/82/498251682.db2.gz DPUOPPOCUJVGMV-UHFFFAOYSA-N 1 0 355.369 3.044 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3cn4cccnc4n3)C2)cc1 ZINC000297785219 498566098 /nfs/dbraw/zinc/56/60/98/498566098.db2.gz WKPMAMXSQGIZAU-AWEZNQCLSA-N 1 0 373.407 3.089 20 10 FGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000294356586 498668930 /nfs/dbraw/zinc/66/89/30/498668930.db2.gz SYFZJLYADFBJSL-KRWDZBQOSA-N 1 0 354.494 3.322 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2F)C[C@@H](C)O1 ZINC000290829062 498692643 /nfs/dbraw/zinc/69/26/43/498692643.db2.gz HUHIZQNLFKNASX-ZIAGYGMSSA-N 1 0 369.444 3.000 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(N(C)C)cc1 ZINC000363758637 498977802 /nfs/dbraw/zinc/97/78/02/498977802.db2.gz SAEPZTWMHKFXCQ-ICSRJNTNSA-N 1 0 352.482 3.103 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1cc2c(cc1O)CCCC2 ZINC000363868093 499031945 /nfs/dbraw/zinc/03/19/45/499031945.db2.gz RJBQTKINVQMKIT-BEFAXECRSA-N 1 0 365.477 3.231 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1O ZINC000369902256 499149004 /nfs/dbraw/zinc/14/90/04/499149004.db2.gz LPCIYLRVTWZEOC-GHJWDPDVSA-N 1 0 356.260 3.143 20 10 FGCDRO CS(=O)(=O)c1ccc2c(c1)CCN(Cc1cccc(Cl)c1[O-])CC2 ZINC000367171642 499156974 /nfs/dbraw/zinc/15/69/74/499156974.db2.gz GLWCFWXEEKVGNY-UHFFFAOYSA-N 1 0 365.882 3.050 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000370122974 499183750 /nfs/dbraw/zinc/18/37/50/499183750.db2.gz PUOOBTMPXIJTIV-UWJYYQICSA-N 1 0 354.450 3.100 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1OCCc2sccc21 ZINC000368372078 499289881 /nfs/dbraw/zinc/28/98/81/499289881.db2.gz ZRWMEUAADVYEQG-QRWLVFNGSA-N 1 0 358.507 3.377 20 10 FGCDRO COc1cc(O)c(C[N@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)cc1OC ZINC000371357961 499314893 /nfs/dbraw/zinc/31/48/93/499314893.db2.gz UKKOORPVHKMHMW-SFHVURJKSA-N 1 0 365.433 3.211 20 10 FGCDRO Cc1nn(C)c(C)c1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368900590 499344733 /nfs/dbraw/zinc/34/47/33/499344733.db2.gz GWNFCVOPIWZPSI-UHFFFAOYSA-N 1 0 364.440 3.397 20 10 FGCDRO COC(=O)c1ccnc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3O)CC2)c1 ZINC000371865621 499373296 /nfs/dbraw/zinc/37/32/96/499373296.db2.gz WZNQVCGLCONOKP-HNNXBMFYSA-N 1 0 369.465 3.202 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccnc(C)n2)C1=O)c1ccc(C)cc1O ZINC000373519338 499474633 /nfs/dbraw/zinc/47/46/33/499474633.db2.gz IWBVVPUEPDLQQP-RBUKOAKNSA-N 1 0 368.481 3.031 20 10 FGCDRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1O ZINC000378573181 499533046 /nfs/dbraw/zinc/53/30/46/499533046.db2.gz RAMUQPFRXAZIMP-APWZRJJASA-N 1 0 368.477 3.389 20 10 FGCDRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000378573201 499533089 /nfs/dbraw/zinc/53/30/89/499533089.db2.gz RAMUQPFRXAZIMP-LPHOPBHVSA-N 1 0 368.477 3.389 20 10 FGCDRO COc1c(O)c(C[NH2+][C@H]2CCCc3cnn(C(C)C)c32)ccc1[N+](=O)[O-] ZINC000375716330 499548371 /nfs/dbraw/zinc/54/83/71/499548371.db2.gz AZSSGNDUOURGGI-AWEZNQCLSA-N 1 0 360.414 3.254 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)c(O)c1C ZINC000376573724 499619623 /nfs/dbraw/zinc/61/96/23/499619623.db2.gz HUWPTLXXDAGSPM-YJBOKZPZSA-N 1 0 354.450 3.300 20 10 FGCDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000579344932 506152503 /nfs/dbraw/zinc/15/25/03/506152503.db2.gz NEQSHTXLHBRVFV-GOSISDBHSA-N 1 0 368.477 3.163 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(F)ccc3O)CC2)c1C ZINC000377718635 499724523 /nfs/dbraw/zinc/72/45/23/499724523.db2.gz PIUAMIVVRFPQFE-UHFFFAOYSA-N 1 0 361.417 3.050 20 10 FGCDRO COCCCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000416136771 499954049 /nfs/dbraw/zinc/95/40/49/499954049.db2.gz WTGJJACEWJDNJA-UHFFFAOYSA-N 1 0 371.525 3.293 20 10 FGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2ccc(Br)cc21 ZINC000423191720 500353473 /nfs/dbraw/zinc/35/34/73/500353473.db2.gz PBCWYIMTGOQBEW-UHFFFAOYSA-N 1 0 359.267 3.414 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000576681291 506209665 /nfs/dbraw/zinc/20/96/65/506209665.db2.gz FKSWRUDXRFBUPU-FQEVSTJZSA-N 1 0 365.477 3.143 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000471733896 502123271 /nfs/dbraw/zinc/12/32/71/502123271.db2.gz DCXJKWDSMRRGAF-HOTGVXAUSA-N 1 0 356.514 3.406 20 10 FGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1c(C)c2ccccc2n1C ZINC000472236809 502280790 /nfs/dbraw/zinc/28/07/90/502280790.db2.gz CGSJEWXTUOYYMR-SJORKVTESA-N 1 0 354.498 3.255 20 10 FGCDRO COCCc1noc(CC2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000530102588 503837553 /nfs/dbraw/zinc/83/75/53/503837553.db2.gz GWSHGIPQJQMSRU-UHFFFAOYSA-N 1 0 359.470 3.036 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528151744 504093919 /nfs/dbraw/zinc/09/39/19/504093919.db2.gz UXRNKWCOILMJDV-ZBFHGGJFSA-N 1 0 361.486 3.168 20 10 FGCDRO COc1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)c(O)c1 ZINC000529230374 504594380 /nfs/dbraw/zinc/59/43/80/504594380.db2.gz VUXHVLKURYSBGG-SFHVURJKSA-N 1 0 374.868 3.335 20 10 FGCDRO Cc1nnc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)s1 ZINC000562434159 504820278 /nfs/dbraw/zinc/82/02/78/504820278.db2.gz YRLRUMDGJNXERQ-UHFFFAOYSA-N 1 0 369.494 3.206 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccon3)no2)C1 ZINC000564269780 505367545 /nfs/dbraw/zinc/36/75/45/505367545.db2.gz YBGLPQLHEMCZCX-UHFFFAOYSA-N 1 0 363.421 3.494 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000736279808 598511203 /nfs/dbraw/zinc/51/12/03/598511203.db2.gz MSIOYCTWLWOCDF-UHFFFAOYSA-N 1 0 362.481 3.393 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825394396 608282535 /nfs/dbraw/zinc/28/25/35/608282535.db2.gz BWPFVYAHHSHPCN-HNNXBMFYSA-N 1 0 366.469 3.052 20 10 FGCDRO Oc1cc2c(cc1C[N@H+]1CC=C(c3ccc(-c4nn[nH]n4)cc3)CC1)CCC2 ZINC000826510625 608489025 /nfs/dbraw/zinc/48/90/25/608489025.db2.gz BGGBWLBXAZZPAD-UHFFFAOYSA-N 1 0 373.460 3.350 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000092043142 700430988 /nfs/dbraw/zinc/43/09/88/700430988.db2.gz OUBCFVIAVJJPRO-WFASDCNBSA-N 1 0 369.303 3.079 20 10 FGCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Br)ccc2O)cc1 ZINC000121141946 700666822 /nfs/dbraw/zinc/66/68/22/700666822.db2.gz FZUFKHUCJQQFPY-UHFFFAOYSA-N 1 0 363.255 3.146 20 10 FGCDRO C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122348055 700688431 /nfs/dbraw/zinc/68/84/31/700688431.db2.gz IXVHOBJYZMWYFY-BBWFWOEESA-N 1 0 361.555 3.117 20 10 FGCDRO CCC[N@H+](Cc1cc(C)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000122354154 700688445 /nfs/dbraw/zinc/68/84/45/700688445.db2.gz LYOAVUNNZYMBIS-MRXNPFEDSA-N 1 0 353.528 3.397 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000126926740 700754573 /nfs/dbraw/zinc/75/45/73/700754573.db2.gz XWWZEORHZLLGLS-MRXNPFEDSA-N 1 0 359.495 3.432 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000182909916 705868423 /nfs/dbraw/zinc/86/84/23/705868423.db2.gz HVDUHVQEGTUNAY-VQTJNVASSA-N 1 0 364.555 3.368 20 10 FGCDRO COc1cccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c1 ZINC000255510314 713698186 /nfs/dbraw/zinc/69/81/86/713698186.db2.gz UNWJZWMBYRODOP-XNTDXEJSSA-N 1 0 364.536 3.484 20 10 FGCDRO CC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)NC(=O)OC(C)(C)C ZINC000302120570 713783029 /nfs/dbraw/zinc/78/30/29/713783029.db2.gz UKVMQNXVPDQCHZ-ZDUSSCGKSA-N 1 0 358.866 3.447 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC000322126917 713812982 /nfs/dbraw/zinc/81/29/82/713812982.db2.gz OHSYQIGKFMKQOR-SHTZXODSSA-N 1 0 350.459 3.326 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)c1O ZINC000374254328 713908079 /nfs/dbraw/zinc/90/80/79/713908079.db2.gz LSJUCCYALWZEOL-KGLIPLIRSA-N 1 0 356.260 3.307 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382406091 713979740 /nfs/dbraw/zinc/97/97/40/713979740.db2.gz AYVSHZNRLMXLHL-UKRRQHHQSA-N 1 0 350.459 3.184 20 10 FGCDRO C[C@@H](C(=O)NCc1cc(Br)ccc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000804738107 724548047 /nfs/dbraw/zinc/54/80/47/724548047.db2.gz CBKZZUIORDKYGU-TUAOUCFPSA-N 1 0 355.276 3.032 20 10 FGCDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000783716722 724780946 /nfs/dbraw/zinc/78/09/46/724780946.db2.gz DQYQCUUFCXBLEI-QGZVFWFLSA-N 1 0 358.404 3.067 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715147047 722415693 /nfs/dbraw/zinc/41/56/93/722415693.db2.gz SPLWEDJJBKCVFD-VDISTLRHSA-N 1 0 370.877 3.447 20 10 FGCDRO CN1CCN([C@@H](C[NH2+]Cc2c(O)cccc2Cl)c2cccs2)CC1 ZINC000733322892 722495729 /nfs/dbraw/zinc/49/57/29/722495729.db2.gz VAOGDSBCTKABKZ-INIZCTEOSA-N 1 0 365.930 3.185 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1F ZINC000740001813 722534678 /nfs/dbraw/zinc/53/46/78/722534678.db2.gz JGPJRITXHSDFHV-GOSISDBHSA-N 1 0 351.510 3.118 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1F ZINC000740001060 722534687 /nfs/dbraw/zinc/53/46/87/722534687.db2.gz DJESWOPUESREFC-HXUWFJFHSA-N 1 0 351.510 3.118 20 10 FGCDRO O=C(NCCCSc1nccs1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000748529917 722694954 /nfs/dbraw/zinc/69/49/54/722694954.db2.gz FVIJOSSDDUBRRP-AWEZNQCLSA-N 1 0 353.557 3.396 20 10 FGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CS1 ZINC000754144884 722929944 /nfs/dbraw/zinc/92/99/44/722929944.db2.gz QZHQBDYUWJLPBB-SCTDSRPQSA-N 1 0 361.555 3.008 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c(O)c1 ZINC000756345376 722963121 /nfs/dbraw/zinc/96/31/21/722963121.db2.gz XFSZAHWVMUQCIF-FUHWJXTLSA-N 1 0 359.539 3.401 20 10 FGCDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000756443707 722964723 /nfs/dbraw/zinc/96/47/23/722964723.db2.gz ICXFTTHBEYLWEE-CYBMUJFWSA-N 1 0 366.458 3.069 20 10 FGCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000756529254 722966293 /nfs/dbraw/zinc/96/62/93/722966293.db2.gz QOVBMGMDUSVDOH-JQWIXIFHSA-N 1 0 357.248 3.036 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000756534489 722966311 /nfs/dbraw/zinc/96/63/11/722966311.db2.gz IXEMRYGKNVTYNR-CABCVRRESA-N 1 0 362.495 3.363 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(Br)cc1O ZINC000756582959 722967223 /nfs/dbraw/zinc/96/72/23/722967223.db2.gz MBCMFEHNCLZQQL-OBJOEFQTSA-N 1 0 369.303 3.452 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cc(Br)ccc1O ZINC000756661331 722968425 /nfs/dbraw/zinc/96/84/25/722968425.db2.gz QVAUSFPPJWVVBL-RYUDHWBXSA-N 1 0 354.244 3.250 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1F ZINC000760701797 723083687 /nfs/dbraw/zinc/08/36/87/723083687.db2.gz RPTYDMOAHKMPQH-UHFFFAOYSA-N 1 0 357.351 3.474 20 10 FGCDRO Cc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1O ZINC000763441916 723343511 /nfs/dbraw/zinc/34/35/11/723343511.db2.gz HNQVJQDYDMJZSQ-OAHLLOKOSA-N 1 0 364.283 3.404 20 10 FGCDRO COC(=O)CC1([NH2+]Cc2cc(Br)cc(C)c2O)CCCC1 ZINC000793231523 723414264 /nfs/dbraw/zinc/41/42/64/723414264.db2.gz PUBDBLCNLFMRJH-UHFFFAOYSA-N 1 0 356.260 3.429 20 10 FGCDRO CCOC(=O)C1(COC)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000793367193 723431289 /nfs/dbraw/zinc/43/12/89/723431289.db2.gz UPBBZBSZTISOHQ-UHFFFAOYSA-N 1 0 355.862 3.146 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCOC1 ZINC000765125450 723482405 /nfs/dbraw/zinc/48/24/05/723482405.db2.gz FHWYRLIELZRODV-BVYOLEPJSA-N 1 0 350.478 3.344 20 10 FGCDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765141692 723484364 /nfs/dbraw/zinc/48/43/64/723484364.db2.gz NTVPVJHKKNLRQJ-HNNXBMFYSA-N 1 0 362.905 3.422 20 10 FGCDRO CC(C)C1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000765978017 723549538 /nfs/dbraw/zinc/54/95/38/723549538.db2.gz AXZLJPOPLVOBHX-UHFFFAOYSA-N 1 0 364.555 3.226 20 10 FGCDRO COc1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766668326 723585924 /nfs/dbraw/zinc/58/59/24/723585924.db2.gz LGHJCZCMLIQGJJ-INIZCTEOSA-N 1 0 369.527 3.097 20 10 FGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000795658261 723604844 /nfs/dbraw/zinc/60/48/44/723604844.db2.gz SEDJMIQOLDNGBK-CQSZACIVSA-N 1 0 358.404 3.290 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(F)(F)F ZINC000796276498 723629753 /nfs/dbraw/zinc/62/97/53/723629753.db2.gz ZLVCWXIFQBDKKV-SFHVURJKSA-N 1 0 350.384 3.262 20 10 FGCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796324195 723632828 /nfs/dbraw/zinc/63/28/28/723632828.db2.gz QJYWYXWHNYNJMA-NSYGIPOTSA-N 1 0 356.535 3.496 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000796528900 723641668 /nfs/dbraw/zinc/64/16/68/723641668.db2.gz JWSLWEURQOCKEI-UWVGGRQHSA-N 1 0 368.890 3.212 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000796529244 723641729 /nfs/dbraw/zinc/64/17/29/723641729.db2.gz MXXNFMIHECAOSC-STQMWFEESA-N 1 0 362.499 3.170 20 10 FGCDRO C[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437970 723657506 /nfs/dbraw/zinc/65/75/06/723657506.db2.gz MAAAPXBPAZRFGJ-INIZCTEOSA-N 1 0 364.239 3.213 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)[C@H](O)CO2 ZINC000768449636 723657940 /nfs/dbraw/zinc/65/79/40/723657940.db2.gz XJFIGYDHZGRMFQ-LLVKDONJSA-N 1 0 371.277 3.135 20 10 FGCDRO C[C@@H](Cn1cccn1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000768686250 723665299 /nfs/dbraw/zinc/66/52/99/723665299.db2.gz JAYBLGNYBYUHIV-AWEZNQCLSA-N 1 0 350.413 3.132 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000769334039 723682799 /nfs/dbraw/zinc/68/27/99/723682799.db2.gz NHVGNDJUBMRWQD-HNNXBMFYSA-N 1 0 351.466 3.333 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773045314 723775240 /nfs/dbraw/zinc/77/52/40/723775240.db2.gz QNWQCHFFCSNDTP-HNAYVOBHSA-N 1 0 350.478 3.254 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H](C)SC)cc2F)CC1 ZINC000773303580 723781809 /nfs/dbraw/zinc/78/18/09/723781809.db2.gz JLRINKFYDAUMBZ-OAHLLOKOSA-N 1 0 367.534 3.116 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000797142513 723786160 /nfs/dbraw/zinc/78/61/60/723786160.db2.gz WKILPKQGKCEWRU-JHJVBQTASA-N 1 0 362.499 3.428 20 10 FGCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1C(F)(F)F ZINC000775038015 723954966 /nfs/dbraw/zinc/95/49/66/723954966.db2.gz SMKKOIJRDHCOAS-UHFFFAOYSA-N 1 0 359.369 3.104 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000775376355 723986390 /nfs/dbraw/zinc/98/63/90/723986390.db2.gz UTVPVVNSAIZXCU-CYBMUJFWSA-N 1 0 367.442 3.055 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1O ZINC000775534124 723998900 /nfs/dbraw/zinc/99/89/00/723998900.db2.gz BXNJGHQGMZHIFB-KNXALSJPSA-N 1 0 362.861 3.014 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690771 724025835 /nfs/dbraw/zinc/02/58/35/724025835.db2.gz XFYLLLHCRKIWBL-AAEUAGOBSA-N 1 0 368.193 3.351 20 10 FGCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Br)cc(C)c3O)C2)[nH]1 ZINC000775742617 724036396 /nfs/dbraw/zinc/03/63/96/724036396.db2.gz VQIBRATVEKIBJB-GFCCVEGCSA-N 1 0 365.275 3.269 20 10 FGCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000775998505 724095799 /nfs/dbraw/zinc/09/57/99/724095799.db2.gz FQBUEOPFCMKFPG-NEPJUHHUSA-N 1 0 356.850 3.011 20 10 FGCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC000800276711 724174144 /nfs/dbraw/zinc/17/41/44/724174144.db2.gz QCLNKBMUCAEDLD-SJLPKXTDSA-N 1 0 365.949 3.387 20 10 FGCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000776953478 724198552 /nfs/dbraw/zinc/19/85/52/724198552.db2.gz NKNVDBSKVUPYHL-ZWKOTPCHSA-N 1 0 350.478 3.346 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777438059 724225837 /nfs/dbraw/zinc/22/58/37/724225837.db2.gz KTOUTMOYFBVCQI-QGZVFWFLSA-N 1 0 366.230 3.387 20 10 FGCDRO CC(C)CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000802302848 724375258 /nfs/dbraw/zinc/37/52/58/724375258.db2.gz SPXSTVRHXYYNAL-FQEVSTJZSA-N 1 0 364.555 3.226 20 10 FGCDRO COC(=O)[C@H]1[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770576 725038080 /nfs/dbraw/zinc/03/80/80/725038080.db2.gz UEGJEBPRQHVDNC-GOEBONIOSA-N 1 0 351.349 3.042 20 10 FGCDRO Cc1nccn1CCCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805149788 725053290 /nfs/dbraw/zinc/05/32/90/725053290.db2.gz MXCYXPJTJHLFMH-UHFFFAOYSA-N 1 0 371.268 3.484 20 10 FGCDRO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000808732654 725215340 /nfs/dbraw/zinc/21/53/40/725215340.db2.gz MYNLNFBXWAUHIP-DLBZAZTESA-N 1 0 351.510 3.433 20 10 FGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000809725890 725263337 /nfs/dbraw/zinc/26/33/37/725263337.db2.gz FMQUZNBFFYYLLQ-MRXNPFEDSA-N 1 0 350.459 3.282 20 10 FGCDRO C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809787000 725268722 /nfs/dbraw/zinc/26/87/22/725268722.db2.gz PZGIVHFOPPKEKS-UHFFFAOYSA-N 1 0 367.852 3.200 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810240187 725299024 /nfs/dbraw/zinc/29/90/24/725299024.db2.gz QHDIBUZZCAALKO-SMDDNHRTSA-N 1 0 365.417 3.277 20 10 FGCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000813792768 726914772 /nfs/dbraw/zinc/91/47/72/726914772.db2.gz WQQQXZUMQYEFCS-OAHLLOKOSA-N 1 0 354.219 3.425 20 10 FGCDRO CCN(C)c1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1 ZINC000815119752 727040690 /nfs/dbraw/zinc/04/06/90/727040690.db2.gz GNURRHLPOXJUCR-UHFFFAOYSA-N 1 0 351.292 3.234 20 10 FGCDRO COCC1(CC[NH2+]Cc2cc(Br)cc(OC)c2O)CCC1 ZINC000815148544 727045728 /nfs/dbraw/zinc/04/57/28/727045728.db2.gz ZCCPLLXRNWIYJQ-UHFFFAOYSA-N 1 0 358.276 3.460 20 10 FGCDRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)(F)F ZINC000815835523 727101150 /nfs/dbraw/zinc/10/11/50/727101150.db2.gz WSRQOZRMMFJZCZ-FZMZJTMJSA-N 1 0 360.832 3.418 20 10 FGCDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817951428 727289313 /nfs/dbraw/zinc/28/93/13/727289313.db2.gz FHZPWBCTOUFNPG-YUMQZZPRSA-N 1 0 366.097 3.305 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)C2)cc1 ZINC000818341970 727308602 /nfs/dbraw/zinc/30/86/02/727308602.db2.gz JPQYLSCNVYUNJF-OAOYMFHYSA-N 1 0 364.580 3.491 20 10 FGCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818349009 727308852 /nfs/dbraw/zinc/30/88/52/727308852.db2.gz JXBPTTJHEPJPTC-HNNXBMFYSA-N 1 0 356.507 3.291 20 10 FGCDRO CCCCCC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122417 727349837 /nfs/dbraw/zinc/34/98/37/727349837.db2.gz WPZXFPJULLYTTJ-SFHVURJKSA-N 1 0 352.494 3.208 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822659008 729206151 /nfs/dbraw/zinc/20/61/51/729206151.db2.gz IRYZOOAPINQIIT-CQSZACIVSA-N 1 0 369.303 3.376 20 10 FGCDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000823671227 729297586 /nfs/dbraw/zinc/29/75/86/729297586.db2.gz KHWAKTHVXZWTFV-CIRFHOKZSA-N 1 0 350.478 3.487 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCC[C@H]1C ZINC000823851592 729309124 /nfs/dbraw/zinc/30/91/24/729309124.db2.gz QCEWJKPMYJQJBL-FUHIMQAGSA-N 1 0 364.555 3.226 20 10 FGCDRO Cc1nnsc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876999366 736173378 /nfs/dbraw/zinc/17/33/78/736173378.db2.gz TWSVXWXYNCHRIM-UHFFFAOYSA-N 1 0 354.426 3.207 20 10 FGCDRO Oc1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000824645296 729352669 /nfs/dbraw/zinc/35/26/69/729352669.db2.gz DLCGFNBHAHLRDK-MRXNPFEDSA-N 1 0 370.287 3.315 20 10 FGCDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824725785 729356767 /nfs/dbraw/zinc/35/67/67/729356767.db2.gz KOLNSGYGCBWBQX-HNNXBMFYSA-N 1 0 367.287 3.132 20 10 FGCDRO Cc1ccc([C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2O)N2CCOCC2)o1 ZINC000825072157 729369720 /nfs/dbraw/zinc/36/97/20/729369720.db2.gz XSYYZJGECNVEPR-QGZVFWFLSA-N 1 0 364.873 3.419 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)cc1Cl ZINC000825114759 729371344 /nfs/dbraw/zinc/37/13/44/729371344.db2.gz WCQNVLYIUOPTPO-AWEZNQCLSA-N 1 0 361.873 3.264 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1O ZINC000825338849 729379441 /nfs/dbraw/zinc/37/94/41/729379441.db2.gz VPELHLDAWBKGGD-HNNXBMFYSA-N 1 0 366.255 3.377 20 10 FGCDRO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccc(F)cc1 ZINC000825395714 729381704 /nfs/dbraw/zinc/38/17/04/729381704.db2.gz LJBKRECXAPFSAQ-INIZCTEOSA-N 1 0 354.219 3.291 20 10 FGCDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825548012 729387312 /nfs/dbraw/zinc/38/73/12/729387312.db2.gz AMHPXJAPLYZPQM-WCQYABFASA-N 1 0 371.275 3.111 20 10 FGCDRO COC(=O)c1nc(C[NH2+]Cc2c(O)cc(C)cc2Cl)ccc1Cl ZINC000826977755 729420548 /nfs/dbraw/zinc/42/05/48/729420548.db2.gz NSPDWLYCXBUSGD-UHFFFAOYSA-N 1 0 355.221 3.479 20 10 FGCDRO C[C@@H]1CCc2sc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2C1 ZINC000832285164 729702522 /nfs/dbraw/zinc/70/25/22/729702522.db2.gz PCGHSENQKDSFMP-DYVFJYSZSA-N 1 0 357.523 3.369 20 10 FGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000834597273 729817050 /nfs/dbraw/zinc/81/70/50/729817050.db2.gz FYHVSKKXNZBBPW-ZBFHGGJFSA-N 1 0 361.825 3.127 20 10 FGCDRO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)s1 ZINC000835056459 729853577 /nfs/dbraw/zinc/85/35/77/729853577.db2.gz JMJYDEPWZVXWGI-UHFFFAOYSA-N 1 0 366.870 3.216 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000840882086 730187918 /nfs/dbraw/zinc/18/79/18/730187918.db2.gz NCGHCOUNCSKKSZ-AWEZNQCLSA-N 1 0 354.491 3.044 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2CS(C)(=O)=O)c(Cl)c1 ZINC000840902325 730189523 /nfs/dbraw/zinc/18/95/23/730189523.db2.gz FHYHLDUJKVRQJI-UHFFFAOYSA-N 1 0 353.871 3.188 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000840931028 730192991 /nfs/dbraw/zinc/19/29/91/730192991.db2.gz REPVPKWYCICZAF-UHFFFAOYSA-N 1 0 366.914 3.278 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000840955916 730196921 /nfs/dbraw/zinc/19/69/21/730196921.db2.gz APNGMWGHJCAXRJ-UHFFFAOYSA-N 1 0 369.870 3.138 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c(C(F)(F)F)c1 ZINC000840971396 730198989 /nfs/dbraw/zinc/19/89/89/730198989.db2.gz MKJWHRSMSFEXDZ-KGLIPLIRSA-N 1 0 352.347 3.410 20 10 FGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000841041217 730205489 /nfs/dbraw/zinc/20/54/89/730205489.db2.gz BZRYCMWNOLLDFQ-INIZCTEOSA-N 1 0 364.287 3.010 20 10 FGCDRO COc1cc(Br)cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841085973 730209222 /nfs/dbraw/zinc/20/92/22/730209222.db2.gz DTZZMDQVAOJZKH-SWLSCSKDSA-N 1 0 369.303 3.127 20 10 FGCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1O ZINC000841756161 730271124 /nfs/dbraw/zinc/27/11/24/730271124.db2.gz UMBDVFPJLSISAY-FOIQADDNSA-N 1 0 360.885 3.333 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1O ZINC000841757652 730271377 /nfs/dbraw/zinc/27/13/77/730271377.db2.gz OGXFGKJRAOECGV-JSGCOSHPSA-N 1 0 370.877 3.332 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000841764259 730272008 /nfs/dbraw/zinc/27/20/08/730272008.db2.gz GHGHSXQQPBMTTJ-UONOGXRCSA-N 1 0 373.875 3.167 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000843400034 730615056 /nfs/dbraw/zinc/61/50/56/730615056.db2.gz VZCPCCKGMCFOMI-ZFWWWQNUSA-N 1 0 350.459 3.136 20 10 FGCDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844880624 730784841 /nfs/dbraw/zinc/78/48/41/730784841.db2.gz AMUTUFHWVNMNTN-AWEZNQCLSA-N 1 0 353.894 3.357 20 10 FGCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844882447 730784881 /nfs/dbraw/zinc/78/48/81/730784881.db2.gz OQVPRVLCUQNEKY-AWEZNQCLSA-N 1 0 353.894 3.499 20 10 FGCDRO C[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccccc1 ZINC000845082261 730808529 /nfs/dbraw/zinc/80/85/29/730808529.db2.gz VZRSBDNHCNTRAL-WMZOPIPTSA-N 1 0 359.857 3.290 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1cc(Br)ccc1O ZINC000846207778 730936430 /nfs/dbraw/zinc/93/64/30/730936430.db2.gz FHGSRPKQAZWMKK-RISCZKNCSA-N 1 0 355.276 3.064 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1O ZINC000848527525 731175718 /nfs/dbraw/zinc/17/57/18/731175718.db2.gz CCGUYMCOXZWEBG-BXUZGUMPSA-N 1 0 369.303 3.298 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)c1O ZINC000848528852 731176042 /nfs/dbraw/zinc/17/60/42/731176042.db2.gz ILAZUYZUZIMKLH-ZWNOBZJWSA-N 1 0 370.243 3.449 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1O ZINC000848532339 731176312 /nfs/dbraw/zinc/17/63/12/731176312.db2.gz FWBLPAWPUDSHSP-PGUXBMHVSA-N 1 0 369.303 3.297 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)c1O ZINC000848547081 731179121 /nfs/dbraw/zinc/17/91/21/731179121.db2.gz JITIVILNFSEKOT-LLVKDONJSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC=CCC2)c1O ZINC000848549851 731179785 /nfs/dbraw/zinc/17/97/85/731179785.db2.gz VYUXLQNEPBLSMH-GFCCVEGCSA-N 1 0 355.276 3.076 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000848553385 731180495 /nfs/dbraw/zinc/18/04/95/731180495.db2.gz LEYAFQZWTJGTPP-BXKDBHETSA-N 1 0 352.232 3.155 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)c1O ZINC000848553292 731180562 /nfs/dbraw/zinc/18/05/62/731180562.db2.gz LQSDMTDCDGYWFH-GMXVVIOVSA-N 1 0 358.276 3.365 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cccc(CC)c2O)s1 ZINC000848910986 731219509 /nfs/dbraw/zinc/21/95/09/731219509.db2.gz PIPYLBZBVALFBZ-VXGBXAGGSA-N 1 0 362.499 3.121 20 10 FGCDRO COc1cc(Cl)cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1O ZINC000849350238 731251491 /nfs/dbraw/zinc/25/14/91/731251491.db2.gz VIOYDNHRCMHLNU-IAGOWNOFSA-N 1 0 364.848 3.429 20 10 FGCDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CO1 ZINC000850034196 731311732 /nfs/dbraw/zinc/31/17/32/731311732.db2.gz HPYFNJSFOYLJNJ-HOCLYGCPSA-N 1 0 358.404 3.199 20 10 FGCDRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850295860 731340733 /nfs/dbraw/zinc/34/07/33/731340733.db2.gz NBLUPAHUFVJKHO-UHFFFAOYSA-N 1 0 369.527 3.145 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(Cl)nc(Cl)n3C)C2)cc1 ZINC000850345643 731345075 /nfs/dbraw/zinc/34/50/75/731345075.db2.gz GYUYJXPHKWNOFL-LLVKDONJSA-N 1 0 355.269 3.104 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850435009 731356854 /nfs/dbraw/zinc/35/68/54/731356854.db2.gz FWQIFHBICNGKBK-DLBZAZTESA-N 1 0 350.890 3.311 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc([S@](C)=O)cc3)C2)cc1 ZINC000850489077 731362652 /nfs/dbraw/zinc/36/26/52/731362652.db2.gz QJDBAFDGCHKAHY-FZXICVGQSA-N 1 0 358.507 3.362 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000851657594 731482354 /nfs/dbraw/zinc/48/23/54/731482354.db2.gz GRKOCYBIQOOXOB-OAHLLOKOSA-N 1 0 368.572 3.047 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000851657593 731482431 /nfs/dbraw/zinc/48/24/31/731482431.db2.gz GRKOCYBIQOOXOB-HNNXBMFYSA-N 1 0 368.572 3.047 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2(O)CCC(C)CC2)c1O ZINC000853092386 731664136 /nfs/dbraw/zinc/66/41/36/731664136.db2.gz OGBDQQHHDVDMIH-UHFFFAOYSA-N 1 0 358.276 3.194 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000858179407 732189631 /nfs/dbraw/zinc/18/96/31/732189631.db2.gz MXQSYTOGNAGWDD-CYBMUJFWSA-N 1 0 365.319 3.278 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602527 732230612 /nfs/dbraw/zinc/23/06/12/732230612.db2.gz AWBMREGVISKLCS-XHDPSFHLSA-N 1 0 367.287 3.267 20 10 FGCDRO COC(=O)CCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862243723 732796249 /nfs/dbraw/zinc/79/62/49/732796249.db2.gz CJHZFSNXIALZOB-UHFFFAOYSA-N 1 0 356.260 3.320 20 10 FGCDRO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862420785 732830759 /nfs/dbraw/zinc/83/07/59/732830759.db2.gz WCPJAYONWQUHDJ-UHFFFAOYSA-N 1 0 364.287 3.473 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863551466 732975901 /nfs/dbraw/zinc/97/59/01/732975901.db2.gz FLCQUCZIPGQRHQ-RISCZKNCSA-N 1 0 364.795 3.207 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000865783400 733269339 /nfs/dbraw/zinc/26/93/39/733269339.db2.gz POYZHKFFAOZNPP-AWEZNQCLSA-N 1 0 363.479 3.088 20 10 FGCDRO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1O ZINC000872118724 735591432 /nfs/dbraw/zinc/59/14/32/735591432.db2.gz GTVIJYUQAOUGAX-UJMBOELQSA-N 1 0 357.903 3.442 20 10 FGCDRO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1O ZINC000872118725 735591553 /nfs/dbraw/zinc/59/15/53/735591553.db2.gz GTVIJYUQAOUGAX-ZBVLDHOZSA-N 1 0 357.903 3.442 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000873291663 735747140 /nfs/dbraw/zinc/74/71/40/735747140.db2.gz HDUCNFOMOSWRJH-STQMWFEESA-N 1 0 358.404 3.220 20 10 FGCDRO COc1ccc(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)c(O)c1 ZINC000877494479 736672462 /nfs/dbraw/zinc/67/24/62/736672462.db2.gz XFDBFHJTMTVNTP-UHFFFAOYSA-N 1 0 355.360 3.242 20 10 FGCDRO COc1cccc(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)c1O ZINC000877525503 736678427 /nfs/dbraw/zinc/67/84/27/736678427.db2.gz FYAYNBARPRGVTD-UHFFFAOYSA-N 1 0 355.360 3.242 20 10 FGCDRO COC(=O)c1csc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000877598553 736689965 /nfs/dbraw/zinc/68/99/65/736689965.db2.gz PCTZQTXWUXRIAD-AWEZNQCLSA-N 1 0 360.479 3.159 20 10 FGCDRO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c(OC)cc1Cl ZINC000879648244 737023196 /nfs/dbraw/zinc/02/31/96/737023196.db2.gz GJXKIUOCQHQXQP-LLVKDONJSA-N 1 0 364.829 3.352 20 10 FGCDRO CCN(C)c1ccc(Cn2cc([C@@H]([NH3+])c3ccc(Cl)cc3)nn2)cc1 ZINC000881313281 737323567 /nfs/dbraw/zinc/32/35/67/737323567.db2.gz GYDHKMHRIVNDHN-IBGZPJMESA-N 1 0 355.873 3.484 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883253348 737541273 /nfs/dbraw/zinc/54/12/73/737541273.db2.gz PJBLNCGDFGTSDY-ZDUSSCGKSA-N 1 0 370.287 3.220 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)[C@@H]1CCCOC1 ZINC000886789669 739299673 /nfs/dbraw/zinc/29/96/73/739299673.db2.gz ZNZDYUXRKVEFEY-JMSVASOKSA-N 1 0 358.276 3.247 20 10 FGCDRO Cc1sc(-c2ccc(N(C)C)cc2)nc1-c1cn(CCCC[NH3+])nn1 ZINC000887380143 739363957 /nfs/dbraw/zinc/36/39/57/739363957.db2.gz SGTCFQMNBKPVDS-UHFFFAOYSA-N 1 0 356.499 3.182 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)CC(F)(F)F)[NH+](C)C)cc1 ZINC000891245240 739885955 /nfs/dbraw/zinc/88/59/55/739885955.db2.gz AXGAGXMGAAMRIU-OAHLLOKOSA-N 1 0 359.436 3.450 20 10 FGCDRO COc1cc(C)cc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c1O ZINC000894171609 742248495 /nfs/dbraw/zinc/24/84/95/742248495.db2.gz JWGSDMWDQLUGSD-UHFFFAOYSA-N 1 0 356.344 3.335 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1O ZINC000894955166 742356367 /nfs/dbraw/zinc/35/63/67/742356367.db2.gz GYPAHAOVCUMHBY-OAHLLOKOSA-N 1 0 366.255 3.295 20 10 FGCDRO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c(O)c1OC ZINC000895825364 742458640 /nfs/dbraw/zinc/45/86/40/742458640.db2.gz GHZOTSSUMLNSQP-IBGZPJMESA-N 1 0 365.857 3.146 20 10 FGCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000896498306 742559119 /nfs/dbraw/zinc/55/91/19/742559119.db2.gz YVBVEEBKDYTWQN-CQSZACIVSA-N 1 0 360.479 3.403 20 10 FGCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000897525036 742686163 /nfs/dbraw/zinc/68/61/63/742686163.db2.gz IAAILVPSWWHHFS-KRWDZBQOSA-N 1 0 360.420 3.096 20 10 FGCDRO CCc1cccc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)c1O ZINC000897542347 742687623 /nfs/dbraw/zinc/68/76/23/742687623.db2.gz PFUYNBGQKCRXBJ-UHFFFAOYSA-N 1 0 357.441 3.247 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1Cl ZINC000898400179 742790327 /nfs/dbraw/zinc/79/03/27/742790327.db2.gz XJNAKKIKUUMYNU-XMMPIXPASA-N 1 0 373.950 3.140 20 10 FGCDRO CCc1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1O ZINC000898722132 742825857 /nfs/dbraw/zinc/82/58/57/742825857.db2.gz YIFOZXVKAVWQAT-CYBMUJFWSA-N 1 0 350.260 3.018 20 10 FGCDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000898990248 742851784 /nfs/dbraw/zinc/85/17/84/742851784.db2.gz FTWJCILWKXGYJK-UHFFFAOYSA-N 1 0 360.479 3.164 20 10 FGCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000903063937 743800880 /nfs/dbraw/zinc/80/08/80/743800880.db2.gz JLOHQIJCSHVYMJ-IINYFYTJSA-N 1 0 353.264 3.331 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)c1 ZINC000903234180 743826974 /nfs/dbraw/zinc/82/69/74/743826974.db2.gz LVTLPGPVZWEBCY-HNNXBMFYSA-N 1 0 362.495 3.158 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000903375695 743842735 /nfs/dbraw/zinc/84/27/35/743842735.db2.gz RBOWOWHKGWUKOA-MGPQQGTHSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1O ZINC000903478572 743854806 /nfs/dbraw/zinc/85/48/06/743854806.db2.gz GZJBZKJFCZNXKC-QWRGUYRKSA-N 1 0 366.259 3.025 20 10 FGCDRO O[C@H](C[NH2+]CCCSc1nccs1)COc1ccc2cc[nH]c2c1 ZINC000905111792 743993545 /nfs/dbraw/zinc/99/35/45/743993545.db2.gz SZADJFRCZYQTOH-CQSZACIVSA-N 1 0 363.508 3.136 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(F)c(C(F)F)c2)cc1 ZINC000911666711 757201590 /nfs/dbraw/zinc/20/15/90/757201590.db2.gz KZTZCSKGZUHEOY-INIZCTEOSA-N 1 0 351.372 3.259 20 10 FGCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1Cl ZINC000922057055 758842420 /nfs/dbraw/zinc/84/24/20/758842420.db2.gz FGBDWJZOXTWDDJ-UHFFFAOYSA-N 1 0 365.882 3.358 20 10 FGCDRO OCCOC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC(F)(F)CC1 ZINC000922285033 758884837 /nfs/dbraw/zinc/88/48/37/758884837.db2.gz GONHKTMGONOHLN-UHFFFAOYSA-N 1 0 355.425 3.058 20 10 FGCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000922338246 758896222 /nfs/dbraw/zinc/89/62/22/758896222.db2.gz IZAKTTKQTGGYAS-HKUYNNGSSA-N 1 0 361.555 3.152 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000925785624 759537789 /nfs/dbraw/zinc/53/77/89/759537789.db2.gz VCCAMOLJRWWJPK-IUCAKERBSA-N 1 0 367.209 3.189 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)c(Cl)cc1[O-] ZINC000925851874 759558345 /nfs/dbraw/zinc/55/83/45/759558345.db2.gz SUJCQINBGCNKBL-WDEREUQCSA-N 1 0 373.280 3.035 20 10 FGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000089636709 494335282 /nfs/dbraw/zinc/33/52/82/494335282.db2.gz ZWBPVFUCXSEPPF-HUUCEWRRSA-N 1 0 356.507 3.290 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000079409685 494450084 /nfs/dbraw/zinc/45/00/84/494450084.db2.gz IZMPFEAFNLARDM-CYBMUJFWSA-N 1 0 366.433 3.081 20 10 FGCDRO O=C(NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)C1CCOCC1 ZINC000107669701 494581292 /nfs/dbraw/zinc/58/12/92/494581292.db2.gz ICCDGWMTSMLUSG-UHFFFAOYSA-N 1 0 368.477 3.053 20 10 FGCDRO C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000080105831 494597449 /nfs/dbraw/zinc/59/74/49/494597449.db2.gz GJYDNRUNRXAZFL-QFBILLFUSA-N 1 0 353.466 3.245 20 10 FGCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000080105840 494598078 /nfs/dbraw/zinc/59/80/78/494598078.db2.gz GJYDNRUNRXAZFL-LPHOPBHVSA-N 1 0 353.466 3.245 20 10 FGCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000121305646 494693140 /nfs/dbraw/zinc/69/31/40/494693140.db2.gz YUDLHWLKJFELLL-UHFFFAOYSA-N 1 0 356.466 3.260 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(O)c1 ZINC000093134352 494831932 /nfs/dbraw/zinc/83/19/32/494831932.db2.gz FPQUDEMERFMSCX-INIZCTEOSA-N 1 0 356.470 3.098 20 10 FGCDRO Cc1cc(C)n(CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000093273535 494855502 /nfs/dbraw/zinc/85/55/02/494855502.db2.gz OPQROZFJKVJANB-UHFFFAOYSA-N 1 0 368.525 3.249 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)c1 ZINC000130076381 495338446 /nfs/dbraw/zinc/33/84/46/495338446.db2.gz NCZCDSHQVNFUGP-DZGCQCFKSA-N 1 0 350.413 3.341 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000124901321 495362339 /nfs/dbraw/zinc/36/23/39/495362339.db2.gz JLZRXKDAVYJJQO-MRXNPFEDSA-N 1 0 355.482 3.118 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580568295 505788311 /nfs/dbraw/zinc/78/83/11/505788311.db2.gz BXUNGDVTSKJWDA-GOSISDBHSA-N 1 0 365.477 3.000 20 10 FGCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185376813 495554715 /nfs/dbraw/zinc/55/47/15/495554715.db2.gz VCEHDCSMNXDAFO-LLVKDONJSA-N 1 0 355.276 3.064 20 10 FGCDRO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179585357 495650337 /nfs/dbraw/zinc/65/03/37/495650337.db2.gz WMVHXUHBXWLLPH-UHFFFAOYSA-N 1 0 364.486 3.288 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c1 ZINC000179675344 495686438 /nfs/dbraw/zinc/68/64/38/495686438.db2.gz ZZXPZDIGKFJNNL-UHFFFAOYSA-N 1 0 354.450 3.057 20 10 FGCDRO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000155109033 495838264 /nfs/dbraw/zinc/83/82/64/495838264.db2.gz MTQJAILAMNFDEQ-LBPRGKRZSA-N 1 0 361.269 3.022 20 10 FGCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C(C)(C)O1 ZINC000151545940 495873947 /nfs/dbraw/zinc/87/39/47/495873947.db2.gz DAOGLCQSSUQXIN-GOSISDBHSA-N 1 0 350.478 3.223 20 10 FGCDRO COc1cc(O)c(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1OC ZINC000180243279 495922387 /nfs/dbraw/zinc/92/23/87/495922387.db2.gz PIFQBWOKUKXONW-GOSISDBHSA-N 1 0 357.450 3.281 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183454300 495990834 /nfs/dbraw/zinc/99/08/34/495990834.db2.gz MYEBVVJVJFTJCL-OAHLLOKOSA-N 1 0 362.495 3.274 20 10 FGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155661718 496028500 /nfs/dbraw/zinc/02/85/00/496028500.db2.gz HAHYZSZPKADJGJ-HXUWFJFHSA-N 1 0 368.525 3.223 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161424021 496173472 /nfs/dbraw/zinc/17/34/72/496173472.db2.gz OALYALJWXMIWFH-CABCVRRESA-N 1 0 361.511 3.073 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000180896029 496191255 /nfs/dbraw/zinc/19/12/55/496191255.db2.gz JOUNSXPJSMRFQO-UHFFFAOYSA-N 1 0 374.868 3.449 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000184939464 496593102 /nfs/dbraw/zinc/59/31/02/496593102.db2.gz JFORUXBJIUFRQO-WNSKOXEYSA-N 1 0 353.871 3.264 20 10 FGCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000158085949 496624599 /nfs/dbraw/zinc/62/45/99/496624599.db2.gz BSTFIIPCLGPNOD-KRWDZBQOSA-N 1 0 362.493 3.052 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268757558 496776289 /nfs/dbraw/zinc/77/62/89/496776289.db2.gz MBEQCVBAJYVAGY-IAGOWNOFSA-N 1 0 350.528 3.152 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Cl)ccc1O ZINC000273383079 496789703 /nfs/dbraw/zinc/78/97/03/496789703.db2.gz CGRODFXKTIDOSJ-CXAGYDPISA-N 1 0 359.857 3.282 20 10 FGCDRO COCc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000268827213 496796294 /nfs/dbraw/zinc/79/62/94/496796294.db2.gz ZHYUXFDQRSHISV-HUUCEWRRSA-N 1 0 362.445 3.469 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000273463004 496812689 /nfs/dbraw/zinc/81/26/89/496812689.db2.gz DDSAGWGHFMDBNZ-CABCVRRESA-N 1 0 362.495 3.363 20 10 FGCDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268881875 496813218 /nfs/dbraw/zinc/81/32/18/496813218.db2.gz BEWIAYVTIBCOLN-MRXNPFEDSA-N 1 0 350.478 3.256 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)cc1OC ZINC000277581135 496819706 /nfs/dbraw/zinc/81/97/06/496819706.db2.gz UBHJLRCWJMGESQ-INIZCTEOSA-N 1 0 369.421 3.174 20 10 FGCDRO COc1cc(O)c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1OC ZINC000273702289 496879375 /nfs/dbraw/zinc/87/93/75/496879375.db2.gz DPAWJBNMSSUSRP-UHFFFAOYSA-N 1 0 357.450 3.329 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1Br ZINC000237221378 497205421 /nfs/dbraw/zinc/20/54/21/497205421.db2.gz NYLSWCKHDFNVEL-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)ccc1O ZINC000279017257 497305016 /nfs/dbraw/zinc/30/50/16/497305016.db2.gz UKKLQRNKLJAYBS-RYUDHWBXSA-N 1 0 350.260 3.264 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1O ZINC000267298847 497519042 /nfs/dbraw/zinc/51/90/42/497519042.db2.gz FFYCUUUYXPLCGF-QFBILLFUSA-N 1 0 353.466 3.102 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(C)cc1O ZINC000280016533 497620703 /nfs/dbraw/zinc/62/07/03/497620703.db2.gz HAFALYMTMDGZHB-GOSISDBHSA-N 1 0 359.445 3.312 20 10 FGCDRO Fc1ccc(-n2nccc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000280015131 497620843 /nfs/dbraw/zinc/62/08/43/497620843.db2.gz STIWJFIACQMKCN-UHFFFAOYSA-N 1 0 366.440 3.138 20 10 FGCDRO Cc1noc(C2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000267834073 497626286 /nfs/dbraw/zinc/62/62/86/497626286.db2.gz XNESULOTOZHTIP-UHFFFAOYSA-N 1 0 356.470 3.031 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000272646227 497688941 /nfs/dbraw/zinc/68/89/41/497688941.db2.gz PAGHTWQVKRZXAP-KGLIPLIRSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1OC ZINC000296095121 497917956 /nfs/dbraw/zinc/91/79/56/497917956.db2.gz TVLAGWZPJXFAMT-QGZVFWFLSA-N 1 0 351.468 3.320 20 10 FGCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364416338 497945437 /nfs/dbraw/zinc/94/54/37/497945437.db2.gz LMWKBXAHAYBRFD-JTDSTZFVSA-N 1 0 360.498 3.191 20 10 FGCDRO Cc1occc1C(=O)N1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000364471189 497973642 /nfs/dbraw/zinc/97/36/42/497973642.db2.gz FUNASWCQQBCEQY-UHFFFAOYSA-N 1 0 366.820 3.481 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3ccccc3[N+](=O)[O-])cc2F)CC1 ZINC000301185909 497989650 /nfs/dbraw/zinc/98/96/50/497989650.db2.gz JZEFUPSOANFGKL-UHFFFAOYSA-N 1 0 358.417 3.488 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c(O)c1 ZINC000285302457 498047165 /nfs/dbraw/zinc/04/71/65/498047165.db2.gz SCHHWEVWXNMZJM-QGZVFWFLSA-N 1 0 368.477 3.332 20 10 FGCDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1O ZINC000289188130 498051930 /nfs/dbraw/zinc/05/19/30/498051930.db2.gz BFRBBSSFXVYSMR-LJQANCHMSA-N 1 0 355.482 3.282 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(NC(=O)c3occc3C)CC2)c1 ZINC000364636285 498062151 /nfs/dbraw/zinc/06/21/51/498062151.db2.gz XXEWMNJLECJDNU-CQSZACIVSA-N 1 0 358.438 3.258 20 10 FGCDRO COCCCOc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000289342874 498112546 /nfs/dbraw/zinc/11/25/46/498112546.db2.gz IBTMWWGNNKYSAL-UHFFFAOYSA-N 1 0 361.438 3.115 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000364758805 498131433 /nfs/dbraw/zinc/13/14/33/498131433.db2.gz KTJYDKUPOGXXEO-UHFFFAOYSA-N 1 0 364.383 3.171 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000285775552 498197976 /nfs/dbraw/zinc/19/79/76/498197976.db2.gz TUYIREKCFQRQDV-MRXNPFEDSA-N 1 0 366.458 3.023 20 10 FGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000364938629 498219152 /nfs/dbraw/zinc/21/91/52/498219152.db2.gz JRUAFCFIPPGLLJ-SGXKBVARSA-N 1 0 352.478 3.395 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000286281777 498350289 /nfs/dbraw/zinc/35/02/89/498350289.db2.gz VTLDOWYBATXSHC-IBGZPJMESA-N 1 0 373.472 3.064 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)cc1 ZINC000297365654 498422757 /nfs/dbraw/zinc/42/27/57/498422757.db2.gz DGXPWQWMNWPGPS-XGSMCBPESA-N 1 0 356.514 3.052 20 10 FGCDRO COc1cccc(NC2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000362045632 498457462 /nfs/dbraw/zinc/45/74/62/498457462.db2.gz MFCMFYLPKHJZJA-UHFFFAOYSA-N 1 0 372.465 3.495 20 10 FGCDRO O=S1(=O)CC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000293790048 498489885 /nfs/dbraw/zinc/48/98/85/498489885.db2.gz QOGAPJUAZZDDIP-IEBWSBKVSA-N 1 0 359.491 3.090 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000282440993 498514778 /nfs/dbraw/zinc/51/47/78/498514778.db2.gz NATUOEHDPPJIKY-KBXCAEBGSA-N 1 0 358.461 3.124 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282550477 498555115 /nfs/dbraw/zinc/55/51/15/498555115.db2.gz XDIHYMUQKNPVOB-HOCLYGCPSA-N 1 0 355.438 3.358 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CC3CCC4(CC3)OCCO4)CC2)cc1 ZINC000365794421 498642656 /nfs/dbraw/zinc/64/26/56/498642656.db2.gz IXGZFOMXZXKPNW-UHFFFAOYSA-N 1 0 360.498 3.187 20 10 FGCDRO O=S1(=O)CCC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000294287664 498645226 /nfs/dbraw/zinc/64/52/26/498645226.db2.gz MQQHLQLCGFJDTN-UYAOXDASSA-N 1 0 373.518 3.481 20 10 FGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1C ZINC000294738374 498788253 /nfs/dbraw/zinc/78/82/53/498788253.db2.gz DTASUNCFKXILII-IBGZPJMESA-N 1 0 355.482 3.139 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287612033 498813316 /nfs/dbraw/zinc/81/33/16/498813316.db2.gz JIMJXVQNGJTIIN-WBMJQRKESA-N 1 0 360.329 3.376 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N2CCCNC2=O)cc1 ZINC000291151692 498818354 /nfs/dbraw/zinc/81/83/54/498818354.db2.gz ZMGNJPMGHZTWSI-OAHLLOKOSA-N 1 0 351.450 3.392 20 10 FGCDRO Cn1cc([C@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000294939031 498855295 /nfs/dbraw/zinc/85/52/95/498855295.db2.gz XXICAKWXXZMVEC-PZJWPPBQSA-N 1 0 351.450 3.123 20 10 FGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366565985 498981274 /nfs/dbraw/zinc/98/12/74/498981274.db2.gz FNFUQGKPEBTKHK-KRWDZBQOSA-N 1 0 373.522 3.139 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000295432056 499016457 /nfs/dbraw/zinc/01/64/57/499016457.db2.gz TWAVTRYQJVVDPO-NSHDSACASA-N 1 0 350.825 3.102 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C1CCC(O)(c3cccc(F)c3)CC1)OCO2 ZINC000363868963 499031884 /nfs/dbraw/zinc/03/18/84/499031884.db2.gz PGNDKIHLIZRVNZ-UHFFFAOYSA-N 1 0 359.397 3.180 20 10 FGCDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cccc(OC)c2O)c1 ZINC000288504896 499043638 /nfs/dbraw/zinc/04/36/38/499043638.db2.gz SFWICJQQJBYTQH-UHFFFAOYSA-N 1 0 357.454 3.293 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000367413781 499196096 /nfs/dbraw/zinc/19/60/96/499196096.db2.gz WECNNSNEPWIREJ-UWJYYQICSA-N 1 0 371.525 3.107 20 10 FGCDRO COCc1nccc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000367419122 499196707 /nfs/dbraw/zinc/19/67/07/499196707.db2.gz OAWKKETWRMIXMM-MRXNPFEDSA-N 1 0 358.461 3.208 20 10 FGCDRO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(N2CCC(O)CC2)cc1 ZINC000367439209 499198869 /nfs/dbraw/zinc/19/88/69/499198869.db2.gz SERGCPOTUNDWIO-INIZCTEOSA-N 1 0 354.498 3.031 20 10 FGCDRO CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000367568932 499213572 /nfs/dbraw/zinc/21/35/72/499213572.db2.gz CQRAOSZEXLOPFR-UHFFFAOYSA-N 1 0 368.477 3.494 20 10 FGCDRO COc1c([O-])c(C[NH+]2CCC(O)(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000370478340 499224093 /nfs/dbraw/zinc/22/40/93/499224093.db2.gz UEJZIYPPKIYGGV-UHFFFAOYSA-N 1 0 372.421 3.101 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000368965654 499351504 /nfs/dbraw/zinc/35/15/04/499351504.db2.gz LRKYYNYOPLLKET-CQSZACIVSA-N 1 0 360.479 3.371 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000369120571 499367669 /nfs/dbraw/zinc/36/76/69/499367669.db2.gz VQUJSMBWQNWRTQ-IRXDYDNUSA-N 1 0 362.493 3.098 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000371971893 499385458 /nfs/dbraw/zinc/38/54/58/499385458.db2.gz BIHOMUSUVVPCBF-RRFJBIMHSA-N 1 0 358.404 3.426 20 10 FGCDRO CC[C@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1ccc(C)cc1O ZINC000373545130 499476146 /nfs/dbraw/zinc/47/61/46/499476146.db2.gz DZAOZZSDGZJMBG-HTWSVDAQSA-N 1 0 366.527 3.088 20 10 FGCDRO COc1cccc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000373608643 499479670 /nfs/dbraw/zinc/47/96/70/499479670.db2.gz DMJLUKBJXYGSIH-UHFFFAOYSA-N 1 0 363.408 3.450 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1F ZINC000375408678 499515287 /nfs/dbraw/zinc/51/52/87/499515287.db2.gz JZHGTFITBWKZEU-FBBABVLZSA-N 1 0 364.505 3.424 20 10 FGCDRO CN(C)c1ccc(C2=CCN(C(=O)NCCCC[NH+]3CCCC3)C2)cc1 ZINC000376296241 499598272 /nfs/dbraw/zinc/59/82/72/499598272.db2.gz NIJLKLOZMDGGMB-UHFFFAOYSA-N 1 0 356.514 3.037 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621084 499711561 /nfs/dbraw/zinc/71/15/61/499711561.db2.gz GHXQSRBWTDSQNP-GDBMZVCRSA-N 1 0 374.485 3.140 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CCSCC2)C1 ZINC000435690036 501012568 /nfs/dbraw/zinc/01/25/68/501012568.db2.gz FQARVFZXILDVOK-UHFFFAOYSA-N 1 0 371.550 3.420 20 10 FGCDRO CSCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435879677 501040842 /nfs/dbraw/zinc/04/08/42/501040842.db2.gz DUYCDHZUAHGARL-UHFFFAOYSA-N 1 0 359.539 3.277 20 10 FGCDRO COC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCC1 ZINC000436050724 501063769 /nfs/dbraw/zinc/06/37/69/501063769.db2.gz OMDLJTQEWVCWCG-UHFFFAOYSA-N 1 0 369.509 3.093 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)ccc21 ZINC000457119254 501653804 /nfs/dbraw/zinc/65/38/04/501653804.db2.gz NIHTUGJAHOYJPR-IBGZPJMESA-N 1 0 371.525 3.459 20 10 FGCDRO CCC[NH+]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000486871151 502289155 /nfs/dbraw/zinc/28/91/55/502289155.db2.gz SAYPQVLEXMGJIG-UHFFFAOYSA-N 1 0 357.498 3.072 20 10 FGCDRO CC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490645228 503208799 /nfs/dbraw/zinc/20/87/99/503208799.db2.gz BFNCIZPATHZJHJ-UHFFFAOYSA-N 1 0 357.498 3.072 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000503364381 503395258 /nfs/dbraw/zinc/39/52/58/503395258.db2.gz CJPQYJFYAIIBON-SJLPKXTDSA-N 1 0 354.498 3.255 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)c1 ZINC000527775863 503938561 /nfs/dbraw/zinc/93/85/61/503938561.db2.gz WLCSADWYGPKKRH-SFHVURJKSA-N 1 0 356.466 3.164 20 10 FGCDRO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000537875167 504071421 /nfs/dbraw/zinc/07/14/21/504071421.db2.gz QJKHINNVMQVQSU-UHFFFAOYSA-N 1 0 371.448 3.158 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000529636877 504749509 /nfs/dbraw/zinc/74/95/09/504749509.db2.gz KNJAYWITAPJKEV-GFCCVEGCSA-N 1 0 364.165 3.244 20 10 FGCDRO Oc1ccccc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529660872 504753840 /nfs/dbraw/zinc/75/38/40/504753840.db2.gz GQONMZIJTOMQQG-UHFFFAOYSA-N 1 0 357.454 3.124 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)ccc21 ZINC000567057472 505350762 /nfs/dbraw/zinc/35/07/62/505350762.db2.gz FBCZWSVFSOZKKQ-NRFANRHFSA-N 1 0 357.498 3.024 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000820727861 606218439 /nfs/dbraw/zinc/21/84/39/606218439.db2.gz PSQVPPLEQNPDHO-UHFFFAOYSA-N 1 0 368.510 3.454 20 10 FGCDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067482 700222934 /nfs/dbraw/zinc/22/29/34/700222934.db2.gz MPQPSPHRNNPWPD-RBUKOAKNSA-N 1 0 363.571 3.317 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591798 700405774 /nfs/dbraw/zinc/40/57/74/700405774.db2.gz OYYRUFOCRRIZGE-HZPDHXFCSA-N 1 0 357.420 3.347 20 10 FGCDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000121364026 700670831 /nfs/dbraw/zinc/67/08/31/700670831.db2.gz FRNZNCNIWGFQKL-HRCADAONSA-N 1 0 352.906 3.378 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000121363895 700670854 /nfs/dbraw/zinc/67/08/54/700670854.db2.gz FRNZNCNIWGFQKL-OAGGEKHMSA-N 1 0 352.906 3.378 20 10 FGCDRO CCC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000122357299 700688703 /nfs/dbraw/zinc/68/87/03/700688703.db2.gz ANDJIFOSIDYEQJ-HNNXBMFYSA-N 1 0 369.527 3.097 20 10 FGCDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCCSc1nccs1 ZINC000154571259 705040091 /nfs/dbraw/zinc/04/00/91/705040091.db2.gz RVLVNPAFRDPHCI-CQSZACIVSA-N 1 0 356.561 3.141 20 10 FGCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)c1ccccc1O ZINC000156808637 705132602 /nfs/dbraw/zinc/13/26/02/705132602.db2.gz VJTWJJYSKRAFNQ-OAHLLOKOSA-N 1 0 368.524 3.090 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000158574757 705191013 /nfs/dbraw/zinc/19/10/13/705191013.db2.gz SOLLHQOKDLLSQI-KBPBESRZSA-N 1 0 351.443 3.353 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000159256357 705216924 /nfs/dbraw/zinc/21/69/24/705216924.db2.gz DTYVBZRYJADJRZ-RYGJVYDSSA-N 1 0 350.478 3.254 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000179473174 705703019 /nfs/dbraw/zinc/70/30/19/705703019.db2.gz WGARQADOEPRJCH-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000180900162 705762787 /nfs/dbraw/zinc/76/27/87/705762787.db2.gz AUYAMOGWMVWYFS-CJNGLKHVSA-N 1 0 350.459 3.136 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000183250999 705884631 /nfs/dbraw/zinc/88/46/31/705884631.db2.gz FRSIOBKVYPJFDA-KRWDZBQOSA-N 1 0 360.523 3.485 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185455836 712694774 /nfs/dbraw/zinc/69/47/74/712694774.db2.gz DLNQNAUYWYHHQO-KGLIPLIRSA-N 1 0 350.459 3.451 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)CC1 ZINC000255616101 713701703 /nfs/dbraw/zinc/70/17/03/713701703.db2.gz UPLPTNZTUXVIDI-NTEUORMPSA-N 1 0 368.911 3.341 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000311058184 713801596 /nfs/dbraw/zinc/80/15/96/713801596.db2.gz RXEBRRNZTMAGMV-HIFRSBDPSA-N 1 0 350.459 3.184 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382406089 713979578 /nfs/dbraw/zinc/97/95/78/713979578.db2.gz AYVSHZNRLMXLHL-HIFRSBDPSA-N 1 0 350.459 3.184 20 10 FGCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(C(F)(F)F)cc1 ZINC000779093748 724389851 /nfs/dbraw/zinc/38/98/51/724389851.db2.gz JJKXAXFZSMIVMN-ZDUSSCGKSA-N 1 0 357.347 3.491 20 10 FGCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000779166318 724397355 /nfs/dbraw/zinc/39/73/55/724397355.db2.gz MLHCVOFUVJWOQO-BXXOZEPKSA-N 1 0 350.478 3.485 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164850 724397397 /nfs/dbraw/zinc/39/73/97/724397397.db2.gz ZVTUAEIFJMNFJZ-ZIAGYGMSSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2cc(Cl)ccc2O)cc(OC)c1 ZINC000747622727 722653176 /nfs/dbraw/zinc/65/31/76/722653176.db2.gz VUQCPGBOMZTCJO-AWEZNQCLSA-N 1 0 365.857 3.004 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000780562722 724480049 /nfs/dbraw/zinc/48/00/49/724480049.db2.gz JWUQUTURHBTLQX-AWEZNQCLSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1ccc(Br)c(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000725849522 722424723 /nfs/dbraw/zinc/42/47/23/722424723.db2.gz PMFQFWARZJBFKQ-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000727838934 722448036 /nfs/dbraw/zinc/44/80/36/722448036.db2.gz QQXAFPNBCMUSDV-UHFFFAOYSA-N 1 0 364.165 3.203 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000733323339 722495719 /nfs/dbraw/zinc/49/57/19/722495719.db2.gz UZJAJYQXSPRYLJ-UHFFFAOYSA-N 1 0 363.255 3.500 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000733326312 722495769 /nfs/dbraw/zinc/49/57/69/722495769.db2.gz WGRYZWBGSYPWTD-ZDUSSCGKSA-N 1 0 365.474 3.114 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O ZINC000742377594 722556607 /nfs/dbraw/zinc/55/66/07/722556607.db2.gz WFMCROVSKTUYOT-APHBMKBZSA-N 1 0 370.287 3.457 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000756534492 722966390 /nfs/dbraw/zinc/96/63/90/722966390.db2.gz IXEMRYGKNVTYNR-GJZGRUSLSA-N 1 0 362.495 3.363 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(Br)cc1O ZINC000756582961 722967221 /nfs/dbraw/zinc/96/72/21/722967221.db2.gz MBCMFEHNCLZQQL-SCRDCRAPSA-N 1 0 369.303 3.452 20 10 FGCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Br)ccc1O ZINC000757799912 722979932 /nfs/dbraw/zinc/97/99/32/722979932.db2.gz LJBONBIJINYHAN-CJNGLKHVSA-N 1 0 356.260 3.366 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@@]12CCCO2 ZINC000761225601 723134637 /nfs/dbraw/zinc/13/46/37/723134637.db2.gz JWMRAVDERDMFHO-INMHGKMJSA-N 1 0 370.287 3.279 20 10 FGCDRO COC1(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCCC1 ZINC000790949485 723198090 /nfs/dbraw/zinc/19/80/90/723198090.db2.gz SMEYJTCQZAUFKZ-HOTGVXAUSA-N 1 0 350.478 3.488 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c(O)c1 ZINC000791003797 723204485 /nfs/dbraw/zinc/20/44/85/723204485.db2.gz IHGQELSMGFYPCE-AWEZNQCLSA-N 1 0 351.393 3.010 20 10 FGCDRO C[N@H+](CCC(=O)NCc1cccc(Br)c1O)C1CCCCC1 ZINC000791147306 723214423 /nfs/dbraw/zinc/21/44/23/723214423.db2.gz XTDPJIPVOMNEFB-UHFFFAOYSA-N 1 0 369.303 3.426 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCN2CCCCC2=O)c(C(F)(F)F)c1 ZINC000792970488 723388188 /nfs/dbraw/zinc/38/81/88/723388188.db2.gz VPARCJOJRVJBBX-UHFFFAOYSA-N 1 0 357.420 3.264 20 10 FGCDRO CC[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Br)ccc1O ZINC000793565149 723449443 /nfs/dbraw/zinc/44/94/43/723449443.db2.gz BZWNORPDEGPGQW-DUVNUKRYSA-N 1 0 374.319 3.353 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765422632 723511961 /nfs/dbraw/zinc/51/19/61/723511961.db2.gz BCZYQHZJUBALCI-KGLIPLIRSA-N 1 0 367.921 3.130 20 10 FGCDRO C[NH+](C)Cc1cccc(C(=O)NCc2cccc(Br)c2O)c1 ZINC000765731286 723536033 /nfs/dbraw/zinc/53/60/33/723536033.db2.gz ZSQYXUVQZDCBBA-UHFFFAOYSA-N 1 0 363.255 3.146 20 10 FGCDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765976828 723549530 /nfs/dbraw/zinc/54/95/30/723549530.db2.gz BDYSRYCOPVVUNI-QGZVFWFLSA-N 1 0 350.528 3.146 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000765980297 723549668 /nfs/dbraw/zinc/54/96/68/723549668.db2.gz YHICRNYRPZHUMY-HNNXBMFYSA-N 1 0 364.536 3.142 20 10 FGCDRO CCN1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000765993193 723550630 /nfs/dbraw/zinc/55/06/30/723550630.db2.gz LQXDPFNEADIOHT-SFHVURJKSA-N 1 0 351.922 3.084 20 10 FGCDRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165400 723559067 /nfs/dbraw/zinc/55/90/67/723559067.db2.gz HQAPOVXFWNLTIJ-JYJNAYRXSA-N 1 0 351.922 3.310 20 10 FGCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308473 723632027 /nfs/dbraw/zinc/63/20/27/723632027.db2.gz CLLJDCBCGTWDSM-IIBYNOLFSA-N 1 0 356.535 3.451 20 10 FGCDRO O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCSC1 ZINC000796317692 723632721 /nfs/dbraw/zinc/63/27/21/723632721.db2.gz YVZZKBTYEGNWFE-OAQYLSRUSA-N 1 0 354.519 3.207 20 10 FGCDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000769339249 723682888 /nfs/dbraw/zinc/68/28/88/723682888.db2.gz VGYKMCBCIGQYEN-HNNXBMFYSA-N 1 0 367.287 3.132 20 10 FGCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000769513829 723688320 /nfs/dbraw/zinc/68/83/20/723688320.db2.gz FPVHQSUJEQRZKO-AWEZNQCLSA-N 1 0 353.304 3.318 20 10 FGCDRO CC(C)CO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771060780 723726990 /nfs/dbraw/zinc/72/69/90/723726990.db2.gz YVCMMNUSCCRTAN-WMLDXEAASA-N 1 0 368.905 3.187 20 10 FGCDRO CCOC1CC(O)(C[NH2+][C@H](CC)c2cc(Br)ccc2O)C1 ZINC000774485615 723899493 /nfs/dbraw/zinc/89/94/93/723899493.db2.gz FCHGORKTEMBQSD-CXOJTPOUSA-N 1 0 358.276 3.125 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1O ZINC000775158241 723966145 /nfs/dbraw/zinc/96/61/45/723966145.db2.gz KEFSBZWPFADREM-OAHLLOKOSA-N 1 0 354.219 3.425 20 10 FGCDRO CCOC1CC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000775622143 724011672 /nfs/dbraw/zinc/01/16/72/724011672.db2.gz QGWCFBATBKOEKO-UHFFFAOYSA-N 1 0 358.404 3.199 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000776252321 724123919 /nfs/dbraw/zinc/12/39/19/724123919.db2.gz QLCPNZDIMDBHRW-MRXNPFEDSA-N 1 0 368.246 3.295 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)[C@H](O)CO2 ZINC000800865016 724239568 /nfs/dbraw/zinc/23/95/68/724239568.db2.gz WRABIVJPRPWDEG-GDBMZVCRSA-N 1 0 357.372 3.373 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000778197171 724309680 /nfs/dbraw/zinc/30/96/80/724309680.db2.gz AVGUXYODHNKRDI-CQSZACIVSA-N 1 0 351.466 3.238 20 10 FGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cc(Cl)cs3)cc2)C1 ZINC000785431067 724912025 /nfs/dbraw/zinc/91/20/25/724912025.db2.gz DNOJISMZJOCAIQ-CQSZACIVSA-N 1 0 363.914 3.393 20 10 FGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000786824423 725002104 /nfs/dbraw/zinc/00/21/04/725002104.db2.gz WLSUITQRDLWOGW-UHFFFAOYSA-N 1 0 358.829 3.233 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1O ZINC000808673386 725212953 /nfs/dbraw/zinc/21/29/53/725212953.db2.gz CFVMNGYTZAYXNY-AWEZNQCLSA-N 1 0 361.873 3.436 20 10 FGCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000809713636 725261674 /nfs/dbraw/zinc/26/16/74/725261674.db2.gz VXSOCCPQSLQRRK-LLVKDONJSA-N 1 0 351.244 3.279 20 10 FGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809713988 725261840 /nfs/dbraw/zinc/26/18/40/725261840.db2.gz SRISHBHMZTUZIY-AWEZNQCLSA-N 1 0 355.276 3.035 20 10 FGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000809713945 725261969 /nfs/dbraw/zinc/26/19/69/725261969.db2.gz RNHCHEBFIKNBEF-HNNXBMFYSA-N 1 0 369.303 3.344 20 10 FGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000809725910 725263373 /nfs/dbraw/zinc/26/33/73/725263373.db2.gz GBMBAVWFJVUKTH-MRXNPFEDSA-N 1 0 350.459 3.282 20 10 FGCDRO CCCc1nsc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)n1 ZINC000812459159 725397604 /nfs/dbraw/zinc/39/76/04/725397604.db2.gz VWTQRKHPOKJRQD-UHFFFAOYSA-N 1 0 363.506 3.384 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCOc3ncccc3Cl)CC2)cc1 ZINC000812837287 726817579 /nfs/dbraw/zinc/81/75/79/726817579.db2.gz BSVUWQUNMYSMBK-UHFFFAOYSA-N 1 0 361.873 3.381 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000815166819 727047435 /nfs/dbraw/zinc/04/74/35/727047435.db2.gz VRVPIRPSRMECLN-UHFFFAOYSA-N 1 0 353.871 3.308 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000816667348 727187762 /nfs/dbraw/zinc/18/77/62/727187762.db2.gz KRVVEDSYORAMAB-UXHICEINSA-N 1 0 350.478 3.082 20 10 FGCDRO C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000817947421 727289243 /nfs/dbraw/zinc/28/92/43/727289243.db2.gz NEQGMYZCVAUYET-PMPSAXMXSA-N 1 0 351.922 3.215 20 10 FGCDRO C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978217 727290132 /nfs/dbraw/zinc/29/01/32/727290132.db2.gz YNXBIRAUQNBSRY-CSMHCCOUSA-N 1 0 366.097 3.304 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Br)c(F)cc1[O-] ZINC000817987847 727290644 /nfs/dbraw/zinc/29/06/44/727290644.db2.gz YUBSVTJOJBIEMO-WHOHXGKFSA-N 1 0 357.267 3.333 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CC(=O)N2CCCC2)cc1 ZINC000823390758 729275171 /nfs/dbraw/zinc/27/51/71/729275171.db2.gz JDKQXZJBHCYYCK-UHFFFAOYSA-N 1 0 357.523 3.439 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000824514640 729344630 /nfs/dbraw/zinc/34/46/30/729344630.db2.gz AJDIZXRTTVXKPJ-CYBMUJFWSA-N 1 0 351.855 3.015 20 10 FGCDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824592628 729349319 /nfs/dbraw/zinc/34/93/19/729349319.db2.gz IJDIYUJNEYJLJT-UHFFFAOYSA-N 1 0 369.303 3.234 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCOc2ccc(F)c(Cl)c2)cc1OC ZINC000824589157 729349455 /nfs/dbraw/zinc/34/94/55/729349455.db2.gz BQBZTCBKWDIILK-UHFFFAOYSA-N 1 0 355.793 3.371 20 10 FGCDRO CN(C)C(=O)C1([NH2+]Cc2cc(Br)ccc2O)CCCCC1 ZINC000824714681 729356180 /nfs/dbraw/zinc/35/61/80/729356180.db2.gz DWMHOXUUEJVPAJ-UHFFFAOYSA-N 1 0 355.276 3.035 20 10 FGCDRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@H]1n1ccnc1 ZINC000824928051 729365370 /nfs/dbraw/zinc/36/53/70/729365370.db2.gz TUZNZTWQMLHUMK-SWLSCSKDSA-N 1 0 350.260 3.434 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000825059165 729369278 /nfs/dbraw/zinc/36/92/78/729369278.db2.gz UKSXTBAOXGKUHA-UHFFFAOYSA-N 1 0 350.212 3.216 20 10 FGCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825064190 729369372 /nfs/dbraw/zinc/36/93/72/729369372.db2.gz KHILXTSTQJAKRC-QGZVFWFLSA-N 1 0 351.830 3.194 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)cc1Cl ZINC000825114761 729371403 /nfs/dbraw/zinc/37/14/03/729371403.db2.gz WCQNVLYIUOPTPO-CQSZACIVSA-N 1 0 361.873 3.264 20 10 FGCDRO C[C@@](CO)([NH2+]Cc1cc2c(cc1O)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000825129950 729372112 /nfs/dbraw/zinc/37/21/12/729372112.db2.gz IPSBSCOKZRDHOG-KRWDZBQOSA-N 1 0 370.232 3.425 20 10 FGCDRO COc1cccc(C[NH2+]Cc2ccc(Br)cc2O)c1OC ZINC000825125048 729372153 /nfs/dbraw/zinc/37/21/53/729372153.db2.gz DTIYUOBKUYUDIB-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000825378761 729380935 /nfs/dbraw/zinc/38/09/35/729380935.db2.gz GFOBOQGYSJPMGG-UHFFFAOYSA-N 1 0 352.276 3.303 20 10 FGCDRO CO[C@]1(CO)CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000826952824 729420025 /nfs/dbraw/zinc/42/00/25/729420025.db2.gz UOHODFXXVFWFTJ-HXUWFJFHSA-N 1 0 360.523 3.358 20 10 FGCDRO COC(=O)c1nc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccc1Cl ZINC000826978079 729420538 /nfs/dbraw/zinc/42/05/38/729420538.db2.gz VFZHKBBXSRNXSM-UHFFFAOYSA-N 1 0 355.221 3.479 20 10 FGCDRO COc1cc(Br)cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1O ZINC000827018494 729421716 /nfs/dbraw/zinc/42/17/16/729421716.db2.gz WIRJMHAIYGHBIA-IYBDPMFKSA-N 1 0 356.260 3.022 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000832271978 729701324 /nfs/dbraw/zinc/70/13/24/729701324.db2.gz BANUPKKGXPNIEK-QZTJIDSGSA-N 1 0 355.507 3.148 20 10 FGCDRO CCSCc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832273206 729701386 /nfs/dbraw/zinc/70/13/86/729701386.db2.gz LVGIQULXZQHKRZ-LJQANCHMSA-N 1 0 357.523 3.436 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(SC(F)F)cc2)cc1 ZINC000832292317 729703071 /nfs/dbraw/zinc/70/30/71/729703071.db2.gz FPWVQTZDIPXILR-INIZCTEOSA-N 1 0 365.449 3.497 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(Br)ccc1O ZINC000834851024 729838930 /nfs/dbraw/zinc/83/89/30/729838930.db2.gz SEAIHIOGVNDTFV-ZBFHGGJFSA-N 1 0 371.319 3.042 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Br)ccc1O ZINC000834849636 729839043 /nfs/dbraw/zinc/83/90/43/729839043.db2.gz DMEXVTKSLZQGCM-GDBMZVCRSA-N 1 0 371.319 3.042 20 10 FGCDRO COCCN(Cc1c(C)nn(C)c1C)Cc1c([O-])ccc(Cl)c1F ZINC000835073342 729856354 /nfs/dbraw/zinc/85/63/54/729856354.db2.gz MRUKLZLCEBBCHL-UHFFFAOYSA-N 1 0 355.841 3.184 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c(C(F)(F)F)c1 ZINC000835075514 729856546 /nfs/dbraw/zinc/85/65/46/729856546.db2.gz YRZVKUNKPCHTOU-GDBMZVCRSA-N 1 0 355.404 3.014 20 10 FGCDRO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483481 730034420 /nfs/dbraw/zinc/03/44/20/730034420.db2.gz AVYSHEAFOKBLRD-QFBILLFUSA-N 1 0 366.889 3.085 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCCn2cc(Br)cn2)c(Cl)c1 ZINC000840945651 730194872 /nfs/dbraw/zinc/19/48/72/730194872.db2.gz SRRSBXJPYVYRQZ-UHFFFAOYSA-N 1 0 358.667 3.493 20 10 FGCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c1 ZINC000840959285 730197739 /nfs/dbraw/zinc/19/77/39/730197739.db2.gz QLADINMTINVYAV-KRWDZBQOSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841035086 730204995 /nfs/dbraw/zinc/20/49/95/730204995.db2.gz KIQIEBLKIBPLAK-ZDUSSCGKSA-N 1 0 361.873 3.480 20 10 FGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000841042864 730205694 /nfs/dbraw/zinc/20/56/94/730205694.db2.gz MGANBLKVBZZJFE-QGZVFWFLSA-N 1 0 353.388 3.441 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744985 730269840 /nfs/dbraw/zinc/26/98/40/730269840.db2.gz LVVQLJPLIRIPER-VXGBXAGGSA-N 1 0 368.886 3.366 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841763710 730271727 /nfs/dbraw/zinc/27/17/27/730271727.db2.gz AJIJKRWYZCVTOM-CMPLNLGQSA-N 1 0 363.246 3.453 20 10 FGCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC1(C)C ZINC000841763647 730271827 /nfs/dbraw/zinc/27/18/27/730271827.db2.gz OFJYMPYXPQQXIR-MOPGFXCFSA-N 1 0 364.555 3.226 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841855566 730281440 /nfs/dbraw/zinc/28/14/40/730281440.db2.gz BNQFVIYVUUQEON-CABCVRRESA-N 1 0 368.572 3.047 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)cc2Cl)C1 ZINC000841897808 730284200 /nfs/dbraw/zinc/28/42/00/730284200.db2.gz XKBKAGAVMADTFE-GOEBONIOSA-N 1 0 364.921 3.128 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843126597 730588972 /nfs/dbraw/zinc/58/89/72/730588972.db2.gz LBUBYAAGNGEDOE-QWHCGFSZSA-N 1 0 353.850 3.165 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c(C(F)(F)F)c1 ZINC000843416673 730617666 /nfs/dbraw/zinc/61/76/66/730617666.db2.gz WHXLROHBQCRIRM-HNNXBMFYSA-N 1 0 357.420 3.260 20 10 FGCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844882448 730784771 /nfs/dbraw/zinc/78/47/71/730784771.db2.gz OQVPRVLCUQNEKY-CQSZACIVSA-N 1 0 353.894 3.499 20 10 FGCDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000846054824 730924303 /nfs/dbraw/zinc/92/43/03/730924303.db2.gz HCAUSPBAPMROJU-ZDUSSCGKSA-N 1 0 362.857 3.482 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000846073626 730925464 /nfs/dbraw/zinc/92/54/64/730925464.db2.gz QNUKKAHVTAAJRC-ABAIWWIYSA-N 1 0 356.388 3.463 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1O ZINC000846138170 730931542 /nfs/dbraw/zinc/93/15/42/730931542.db2.gz UGYXZZXXQQAOLA-HOCLYGCPSA-N 1 0 362.495 3.186 20 10 FGCDRO COc1ccc(N(C)CCN(C)C(=O)c2sccc2C[NH+](C)C)cc1 ZINC000846441845 730956111 /nfs/dbraw/zinc/95/61/11/730956111.db2.gz DOCGRZNJPQKHIO-UHFFFAOYSA-N 1 0 361.511 3.027 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cccnc2)c1O ZINC000848518916 731174279 /nfs/dbraw/zinc/17/42/79/731174279.db2.gz OHAJOEOFZKQGHQ-LLVKDONJSA-N 1 0 351.244 3.452 20 10 FGCDRO CCN(CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)C1CC1 ZINC000848526078 731175227 /nfs/dbraw/zinc/17/52/27/731175227.db2.gz VLPOJGZGCGBYRS-NSHDSACASA-N 1 0 357.292 3.298 20 10 FGCDRO CCc1cc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)[nH]n1 ZINC000848529999 731176101 /nfs/dbraw/zinc/17/61/01/731176101.db2.gz AYKNHUBRKBRQOT-SECBINFHSA-N 1 0 354.248 3.300 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000848535234 731177312 /nfs/dbraw/zinc/17/73/12/731177312.db2.gz FGMULXNBQQJJAV-BXKDBHETSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)c1O ZINC000848540884 731178299 /nfs/dbraw/zinc/17/82/99/731178299.db2.gz JDCCQBQJHXVQFE-WRWORJQWSA-N 1 0 372.181 3.391 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000848548075 731179454 /nfs/dbraw/zinc/17/94/54/731179454.db2.gz ULLNFWSDQBXYFZ-ZYHUDNBSSA-N 1 0 366.259 3.025 20 10 FGCDRO C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1O ZINC000848558057 731181521 /nfs/dbraw/zinc/18/15/21/731181521.db2.gz MVVVZIKEANPUPE-FQUUOJAGSA-N 1 0 371.319 3.303 20 10 FGCDRO Cc1ncc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1C ZINC000850163681 731327706 /nfs/dbraw/zinc/32/77/06/731327706.db2.gz GWRFMPIINJGMSR-CQSZACIVSA-N 1 0 350.413 3.089 20 10 FGCDRO COc1cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850326212 731342961 /nfs/dbraw/zinc/34/29/61/731342961.db2.gz VTWYTEBDLGNWNA-UHFFFAOYSA-N 1 0 357.516 3.001 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1F ZINC000850348045 731345821 /nfs/dbraw/zinc/34/58/21/731345821.db2.gz DDYCEVIMAGISFS-HSZRJFAPSA-N 1 0 354.413 3.073 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1O ZINC000850352021 731347021 /nfs/dbraw/zinc/34/70/21/731347021.db2.gz YSPICPVBTTYSSA-ZDUSSCGKSA-N 1 0 357.292 3.126 20 10 FGCDRO CCCN(C)CC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000850409786 731353848 /nfs/dbraw/zinc/35/38/48/731353848.db2.gz GKKWVLHGUWNRDB-UHFFFAOYSA-N 1 0 359.308 3.373 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)(C)C(F)F ZINC000850423749 731355591 /nfs/dbraw/zinc/35/55/91/731355591.db2.gz ASGFEXMPKNVHTL-HIFRSBDPSA-N 1 0 353.457 3.158 20 10 FGCDRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(Br)cc1O ZINC000850491722 731363014 /nfs/dbraw/zinc/36/30/14/731363014.db2.gz BAPOISXTTDWSIK-SQFXPLBJSA-N 1 0 374.222 3.116 20 10 FGCDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850505919 731366138 /nfs/dbraw/zinc/36/61/38/731366138.db2.gz DANPMDPZHOIZGV-ZWKOTPCHSA-N 1 0 366.571 3.472 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000850560253 731373639 /nfs/dbraw/zinc/37/36/39/731373639.db2.gz CKMHMORMGZQWIX-YVEFUNNKSA-N 1 0 372.303 3.373 20 10 FGCDRO CCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCC(F)(F)CC1 ZINC000852791112 731636039 /nfs/dbraw/zinc/63/60/39/731636039.db2.gz COTZMTHWKWCXDA-MRXNPFEDSA-N 1 0 353.457 3.474 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000852851247 731640786 /nfs/dbraw/zinc/64/07/86/731640786.db2.gz APBKOCYUXIVRIF-UHFFFAOYSA-N 1 0 367.287 3.165 20 10 FGCDRO Brc1cc(CNCC23CC(C2)C[NH2+]3)ccc1N1CCCCC1 ZINC000853246178 731687505 /nfs/dbraw/zinc/68/75/05/731687505.db2.gz HWVHKPNFALNAHT-UHFFFAOYSA-N 1 0 364.331 3.281 20 10 FGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2c(O)cccc2Br)c(C)o1 ZINC000858144735 732185619 /nfs/dbraw/zinc/18/56/19/732185619.db2.gz GGDADDZQQFTKKZ-INIZCTEOSA-N 1 0 354.244 3.362 20 10 FGCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858148698 732186196 /nfs/dbraw/zinc/18/61/96/732186196.db2.gz HUUBSOQODDAMSE-HTGLOVNISA-N 1 0 360.317 3.324 20 10 FGCDRO OC[C@]1(C[NH2+]Cc2c(O)cccc2Br)C[C@@H]1c1ccccc1 ZINC000858165899 732188346 /nfs/dbraw/zinc/18/83/46/732188346.db2.gz RFQBLXODSOHQJE-CRAIPNDOSA-N 1 0 362.267 3.411 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1F ZINC000858196849 732191623 /nfs/dbraw/zinc/19/16/23/732191623.db2.gz VUGPWVHZCKCZQL-MRXNPFEDSA-N 1 0 360.326 3.271 20 10 FGCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCN(c3ccc(Cl)cc3F)C1)OCO2 ZINC000858297478 732201331 /nfs/dbraw/zinc/20/13/31/732201331.db2.gz DURBXOKDEQPLIE-ZDUSSCGKSA-N 1 0 364.804 3.282 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1O ZINC000858603125 732230967 /nfs/dbraw/zinc/23/09/67/732230967.db2.gz RMSPLBXMVDCJRX-HUUCEWRRSA-N 1 0 367.287 3.349 20 10 FGCDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000861631173 732712676 /nfs/dbraw/zinc/71/26/76/732712676.db2.gz ZRYDWCOXKBDVKL-KBPBESRZSA-N 1 0 352.910 3.065 20 10 FGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000862482450 732839945 /nfs/dbraw/zinc/83/99/45/732839945.db2.gz UCUXIBBNVADWKR-QGZVFWFLSA-N 1 0 350.821 3.180 20 10 FGCDRO CCC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000862536749 732846134 /nfs/dbraw/zinc/84/61/34/732846134.db2.gz ULVZOPKXMJUCHR-UHFFFAOYSA-N 1 0 352.906 3.431 20 10 FGCDRO Fc1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cnc1Cl ZINC000865598352 733234804 /nfs/dbraw/zinc/23/48/04/733234804.db2.gz SDJFEYGNSOAZQE-UHFFFAOYSA-N 1 0 371.790 3.279 20 10 FGCDRO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000866435735 733348970 /nfs/dbraw/zinc/34/89/70/733348970.db2.gz FDIRKAABIAPXAT-ZBEGNZNMSA-N 1 0 354.376 3.317 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c1O ZINC000866473638 733354593 /nfs/dbraw/zinc/35/45/93/733354593.db2.gz FPXLSWUSBPYBIL-AWEZNQCLSA-N 1 0 359.495 3.200 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)c1O ZINC000866615528 733374585 /nfs/dbraw/zinc/37/45/85/733374585.db2.gz UYHBCMHJJYRGDK-NXEZZACHSA-N 1 0 354.248 3.309 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cc2F)C[C@H](C)O1 ZINC000872024484 735577926 /nfs/dbraw/zinc/57/79/26/735577926.db2.gz AYCCACQWTQLZSV-UXLLHSPISA-N 1 0 350.478 3.487 20 10 FGCDRO O[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000873177888 735732037 /nfs/dbraw/zinc/73/20/37/735732037.db2.gz BNYSYTNBSVDOOM-SHTZXODSSA-N 1 0 353.304 3.300 20 10 FGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885924872 739200307 /nfs/dbraw/zinc/20/03/07/739200307.db2.gz XJXORZISSHPVDI-SFHVURJKSA-N 1 0 362.539 3.058 20 10 FGCDRO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885924871 739200436 /nfs/dbraw/zinc/20/04/36/739200436.db2.gz XJXORZISSHPVDI-GOSISDBHSA-N 1 0 362.539 3.058 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000886669643 739280689 /nfs/dbraw/zinc/28/06/89/739280689.db2.gz BODBWKGVSPJKCO-FPMFFAJLSA-N 1 0 358.276 3.044 20 10 FGCDRO O=C(NCc1cccc(Cl)c1O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000891519981 739910745 /nfs/dbraw/zinc/91/07/45/739910745.db2.gz BNJQBKDLJAFNMD-HNNXBMFYSA-N 1 0 363.845 3.275 20 10 FGCDRO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000895156666 742382534 /nfs/dbraw/zinc/38/25/34/742382534.db2.gz YZTINJFMAZUKIC-UHFFFAOYSA-N 1 0 366.849 3.416 20 10 FGCDRO COc1cc(Br)cc(CN2CCC([NH2+]C3CCC3)CC2)c1O ZINC000897981852 742730201 /nfs/dbraw/zinc/73/02/01/742730201.db2.gz SIYQUOHWOMRRGE-UHFFFAOYSA-N 1 0 369.303 3.270 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000898101844 742745549 /nfs/dbraw/zinc/74/55/49/742745549.db2.gz ZRTDBJMFTKQZJF-MGPQQGTHSA-N 1 0 350.459 3.355 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000903153527 743813557 /nfs/dbraw/zinc/81/35/57/743813557.db2.gz GFFQHKSGSITACE-LPXQKFACSA-N 1 0 355.475 3.273 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC000903477859 743854530 /nfs/dbraw/zinc/85/45/30/743854530.db2.gz DCNJLPVTEBKIBJ-RYUDHWBXSA-N 1 0 350.260 3.325 20 10 FGCDRO CN(C)c1ccc(CN2CCc3sc(C[NH3+])nc3C2)c(C(F)(F)F)c1 ZINC000903943887 743902699 /nfs/dbraw/zinc/90/26/99/743902699.db2.gz DDHTWVBINQZFEA-UHFFFAOYSA-N 1 0 370.444 3.245 20 10 FGCDRO Fc1cc(C[NH2+][C@@H]2CCc3c2nccc3Cl)ccc1N1CCOCC1 ZINC000924713494 759375896 /nfs/dbraw/zinc/37/58/96/759375896.db2.gz DLQSMJOABHYICC-QGZVFWFLSA-N 1 0 361.848 3.488 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925860043 759562650 /nfs/dbraw/zinc/56/26/50/759562650.db2.gz YWDUFOSYKZVPQH-QWRGUYRKSA-N 1 0 373.280 3.035 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000926909601 759843533 /nfs/dbraw/zinc/84/35/33/759843533.db2.gz YSBINYWDCSYRMO-IUODEOHRSA-N 1 0 363.454 3.315 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCC[C@H]2F)C1 ZINC000571358694 505713663 /nfs/dbraw/zinc/71/36/63/505713663.db2.gz YRZSDPBOKRAQMO-MSOLQXFVSA-N 1 0 357.473 3.415 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045410220 494426494 /nfs/dbraw/zinc/42/64/94/494426494.db2.gz VJCDPNUFSCRDLZ-UHFFFAOYSA-N 1 0 370.541 3.445 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000093134493 494831794 /nfs/dbraw/zinc/83/17/94/494831794.db2.gz NKNDLSXBVWRQBH-GOSISDBHSA-N 1 0 353.514 3.450 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1O ZINC000093770995 494920063 /nfs/dbraw/zinc/92/00/63/494920063.db2.gz VXDADFAENZEMLA-AWEZNQCLSA-N 1 0 360.420 3.497 20 10 FGCDRO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000117974903 494967473 /nfs/dbraw/zinc/96/74/73/494967473.db2.gz NTGNBIKYWBBUNE-FQEVSTJZSA-N 1 0 368.477 3.275 20 10 FGCDRO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000111236366 495053004 /nfs/dbraw/zinc/05/30/04/495053004.db2.gz BEYJMUJSCRKJLL-IBGZPJMESA-N 1 0 354.450 3.196 20 10 FGCDRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000133910334 495078936 /nfs/dbraw/zinc/07/89/36/495078936.db2.gz YSVXFAXOPWHJLH-UHFFFAOYSA-N 1 0 350.466 3.446 20 10 FGCDRO COc1cc(Br)c(C[NH2+]Cc2ccccc2O)cc1OC ZINC000134237376 495125024 /nfs/dbraw/zinc/12/50/24/495125024.db2.gz VWOMFCADJFRZCF-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265639 495128251 /nfs/dbraw/zinc/12/82/51/495128251.db2.gz JOXKNQDQQLNASC-KDOFPFPSSA-N 1 0 373.884 3.325 20 10 FGCDRO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C)n1-c1ccccn1 ZINC000105320069 495356070 /nfs/dbraw/zinc/35/60/70/495356070.db2.gz MSNYUNYPJUWOKF-UHFFFAOYSA-N 1 0 366.509 3.437 20 10 FGCDRO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130584394 495414626 /nfs/dbraw/zinc/41/46/26/495414626.db2.gz YKTOPZSPQZLULU-MRXNPFEDSA-N 1 0 368.456 3.203 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000185649725 495661461 /nfs/dbraw/zinc/66/14/61/495661461.db2.gz ZPSWFWWONSLDDR-GFCCVEGCSA-N 1 0 353.871 3.441 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000154741632 495713736 /nfs/dbraw/zinc/71/37/36/495713736.db2.gz YTSKRQSSZHMPPT-UHFFFAOYSA-N 1 0 356.441 3.368 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000179873308 495766657 /nfs/dbraw/zinc/76/66/57/495766657.db2.gz SBCYMFDCOWMFBZ-UHFFFAOYSA-N 1 0 366.461 3.202 20 10 FGCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000183446724 495988394 /nfs/dbraw/zinc/98/83/94/495988394.db2.gz XOSLIAOVLCFOJI-HNNXBMFYSA-N 1 0 362.495 3.071 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180724257 496118951 /nfs/dbraw/zinc/11/89/51/496118951.db2.gz ZJISEAYNJVFIEQ-BVBGJJFLSA-N 1 0 372.490 3.201 20 10 FGCDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(Br)cc1O ZINC000186855792 496182816 /nfs/dbraw/zinc/18/28/16/496182816.db2.gz OAFAOMLLEOOXSG-NSHDSACASA-N 1 0 364.305 3.020 20 10 FGCDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000156351814 496222153 /nfs/dbraw/zinc/22/21/53/496222153.db2.gz YVBNQYQWXYYQKG-KRWDZBQOSA-N 1 0 360.477 3.217 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181037247 496249158 /nfs/dbraw/zinc/24/91/58/496249158.db2.gz HAMAOMWPBOHLDG-XSFOEPMVSA-N 1 0 358.482 3.226 20 10 FGCDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181063666 496257512 /nfs/dbraw/zinc/25/75/12/496257512.db2.gz GATFWNNZWJJPMM-CSKARUKUSA-N 1 0 354.450 3.268 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)cc1OC ZINC000181068671 496258709 /nfs/dbraw/zinc/25/87/09/496258709.db2.gz VEPPXQBSHMPBLN-MRXNPFEDSA-N 1 0 360.454 3.238 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(NC(C)=O)cc3)c2)CC1 ZINC000184273274 496314249 /nfs/dbraw/zinc/31/42/49/496314249.db2.gz FAEPRWMCMPBIRF-UHFFFAOYSA-N 1 0 366.465 3.039 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCS(=O)(=O)CC1 ZINC000187186929 496330816 /nfs/dbraw/zinc/33/08/16/496330816.db2.gz DDBGTZKQODXJSO-KRWDZBQOSA-N 1 0 364.555 3.226 20 10 FGCDRO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178449490 496461422 /nfs/dbraw/zinc/46/14/22/496461422.db2.gz PZALFHKTBWESRC-MGPUTAFESA-N 1 0 374.456 3.055 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000163804460 496559219 /nfs/dbraw/zinc/55/92/19/496559219.db2.gz NJSQDPVVTUPXHN-NRFANRHFSA-N 1 0 369.509 3.461 20 10 FGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)ccc1OCC(=O)N(C)C ZINC000273361001 496783226 /nfs/dbraw/zinc/78/32/26/496783226.db2.gz CZBGJHWHBRQIHG-OAHLLOKOSA-N 1 0 372.465 3.027 20 10 FGCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000273418214 496800035 /nfs/dbraw/zinc/80/00/35/496800035.db2.gz RLYJQCUKWUUHFP-CQSZACIVSA-N 1 0 374.506 3.030 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000189101821 497009440 /nfs/dbraw/zinc/00/94/40/497009440.db2.gz WJOISHOLTURTCV-BEFAXECRSA-N 1 0 354.450 3.161 20 10 FGCDRO COc1c([O-])c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475954 497127994 /nfs/dbraw/zinc/12/79/94/497127994.db2.gz ILYUSQKICNGRMP-ZFWWWQNUSA-N 1 0 363.458 3.052 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000266692999 497399524 /nfs/dbraw/zinc/39/95/24/497399524.db2.gz UUFYOKBPILDIEZ-GOSISDBHSA-N 1 0 358.530 3.157 20 10 FGCDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1O ZINC000276670267 497624831 /nfs/dbraw/zinc/62/48/31/497624831.db2.gz ZAFWQCXJLHWXHJ-MRXNPFEDSA-N 1 0 372.440 3.221 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1O ZINC000280126048 497657163 /nfs/dbraw/zinc/65/71/63/497657163.db2.gz OPHANKUHJCSJDM-KBXCAEBGSA-N 1 0 362.495 3.411 20 10 FGCDRO COc1cccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280154361 497665755 /nfs/dbraw/zinc/66/57/55/497665755.db2.gz DXBQFPRAYDCFNN-CYBMUJFWSA-N 1 0 357.328 3.123 20 10 FGCDRO COC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000273119763 497801325 /nfs/dbraw/zinc/80/13/25/497801325.db2.gz SHOPVMXPPKHNEJ-SNVBAGLBSA-N 1 0 357.248 3.036 20 10 FGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280952171 497963930 /nfs/dbraw/zinc/96/39/30/497963930.db2.gz JTFZWRQRUJMIHY-AWEZNQCLSA-N 1 0 354.491 3.044 20 10 FGCDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000289117845 498023804 /nfs/dbraw/zinc/02/38/04/498023804.db2.gz DEHYMXJWDNJBJU-IBGZPJMESA-N 1 0 356.441 3.448 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000281267270 498080684 /nfs/dbraw/zinc/08/06/84/498080684.db2.gz WUGMPPMGQDYTPI-AAEUAGOBSA-N 1 0 355.276 3.064 20 10 FGCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1O ZINC000364903755 498201415 /nfs/dbraw/zinc/20/14/15/498201415.db2.gz GCVIAKJGKBIRAR-HNNXBMFYSA-N 1 0 351.410 3.268 20 10 FGCDRO O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000360188334 498255429 /nfs/dbraw/zinc/25/54/29/498255429.db2.gz OTSKZJNCEUAKBX-HXUWFJFHSA-N 1 0 366.417 3.069 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2Cl)C1 ZINC000281947460 498329620 /nfs/dbraw/zinc/32/96/20/498329620.db2.gz IJDUNAWJTOYSFD-CQSZACIVSA-N 1 0 364.921 3.209 20 10 FGCDRO COC1(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCOCC1 ZINC000365245317 498371031 /nfs/dbraw/zinc/37/10/31/498371031.db2.gz MSFJRSQVKGQVAW-UHFFFAOYSA-N 1 0 370.440 3.042 20 10 FGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000293547565 498411177 /nfs/dbraw/zinc/41/11/77/498411177.db2.gz KUYUXBYXKMCXJU-UHFFFAOYSA-N 1 0 362.420 3.224 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CC2)OCCCO3)c1O ZINC000293558127 498412106 /nfs/dbraw/zinc/41/21/06/498412106.db2.gz FULFWNBERKQGQI-UHFFFAOYSA-N 1 0 356.260 3.192 20 10 FGCDRO COC1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000297342660 498413026 /nfs/dbraw/zinc/41/30/26/498413026.db2.gz BAFKCNNRRULGFS-NRFANRHFSA-N 1 0 357.542 3.362 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3cncc(SC)n3)cc2F)CC1 ZINC000302232629 498455010 /nfs/dbraw/zinc/45/50/10/498455010.db2.gz CSUCBPJLXKLOAR-UHFFFAOYSA-N 1 0 361.490 3.092 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000290209555 498465673 /nfs/dbraw/zinc/46/56/73/498465673.db2.gz HGBCBMWTRHOVEU-CYBMUJFWSA-N 1 0 365.424 3.247 20 10 FGCDRO CS(=O)(=O)C1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000294106693 498591492 /nfs/dbraw/zinc/59/14/92/498591492.db2.gz JRZLSLQAGCXNFC-GOSISDBHSA-N 1 0 359.491 3.233 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000294256130 498635259 /nfs/dbraw/zinc/63/52/59/498635259.db2.gz NNRSQVSBLNOCKN-UHFFFAOYSA-N 1 0 368.811 3.450 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)cc1OC ZINC000283079962 498771831 /nfs/dbraw/zinc/77/18/31/498771831.db2.gz RDDUOAXQRPXPMU-INIZCTEOSA-N 1 0 364.873 3.455 20 10 FGCDRO Cn1cc([C@@H](O)C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000294939026 498855217 /nfs/dbraw/zinc/85/52/17/498855217.db2.gz XXICAKWXXZMVEC-CTNGQTDRSA-N 1 0 351.450 3.123 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(N(C)C)cc1 ZINC000363758639 498977727 /nfs/dbraw/zinc/97/77/27/498977727.db2.gz SAEPZTWMHKFXCQ-QUCCMNQESA-N 1 0 352.482 3.103 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1O ZINC000367085844 499146777 /nfs/dbraw/zinc/14/67/77/499146777.db2.gz RNIDMSQSHCSWDX-WBMJQRKESA-N 1 0 360.841 3.336 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370372905 499214065 /nfs/dbraw/zinc/21/40/65/499214065.db2.gz GABPAUBEQJXCHS-MJGOQNOKSA-N 1 0 352.478 3.442 20 10 FGCDRO Cc1cn[nH]c1C[NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368074097 499261575 /nfs/dbraw/zinc/26/15/75/499261575.db2.gz UCKXODINOJHZCI-ZDUSSCGKSA-N 1 0 354.376 3.233 20 10 FGCDRO C[NH+]1CCC(N(Cc2ccco2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000368136208 499268283 /nfs/dbraw/zinc/26/82/83/499268283.db2.gz TYOWDESXAUPMON-UHFFFAOYSA-N 1 0 369.509 3.213 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1O ZINC000368623234 499314676 /nfs/dbraw/zinc/31/46/76/499314676.db2.gz POQMBILJUNHWMA-HNNXBMFYSA-N 1 0 352.862 3.031 20 10 FGCDRO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)o1 ZINC000368672579 499320897 /nfs/dbraw/zinc/32/08/97/499320897.db2.gz GNBXWWNXIANURU-IBGZPJMESA-N 1 0 359.445 3.458 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ccc(N2CCC(O)CC2)cc1 ZINC000368726069 499325741 /nfs/dbraw/zinc/32/57/41/499325741.db2.gz CRYRXKZRARSCEB-KRWDZBQOSA-N 1 0 365.521 3.491 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000371566518 499342700 /nfs/dbraw/zinc/34/27/00/499342700.db2.gz XZJCZWFUEIEQMK-UHFFFAOYSA-N 1 0 363.408 3.456 20 10 FGCDRO Cc1nc(CN2CCC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)no1 ZINC000369267924 499385928 /nfs/dbraw/zinc/38/59/28/499385928.db2.gz RNGRUFUDZGQJKS-IBGZPJMESA-N 1 0 369.513 3.123 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)N(C)c3ccccc3)CC2)c1 ZINC000373223014 499458537 /nfs/dbraw/zinc/45/85/37/499458537.db2.gz FVGJIDXJSZZHGH-UHFFFAOYSA-N 1 0 354.450 3.276 20 10 FGCDRO COc1cccc(CC(=O)N2CCC([NH2+]Cc3cccc(C)c3O)CC2)c1 ZINC000378455948 499519020 /nfs/dbraw/zinc/51/90/20/499519020.db2.gz SLCIJBMCYMQBMZ-UHFFFAOYSA-N 1 0 368.477 3.033 20 10 FGCDRO Oc1ccccc1C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000378494204 499524200 /nfs/dbraw/zinc/52/42/00/499524200.db2.gz KJVWBSSRRUPZKX-KRWDZBQOSA-N 1 0 352.482 3.480 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C)c1ccccc1O ZINC000376046419 499578621 /nfs/dbraw/zinc/57/86/21/499578621.db2.gz IXCXTAIEYPTIBO-LUQKVYGDSA-N 1 0 370.497 3.003 20 10 FGCDRO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000376168356 499588527 /nfs/dbraw/zinc/58/85/27/499588527.db2.gz ULSLAOSPZRUMMI-HNNXBMFYSA-N 1 0 371.485 3.253 20 10 FGCDRO Cc1cccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1O ZINC000377232628 499672471 /nfs/dbraw/zinc/67/24/71/499672471.db2.gz PCNUEILMRGEDFY-KRWDZBQOSA-N 1 0 352.413 3.203 20 10 FGCDRO CN1CCN([C@@H]2CCCC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000377619031 499711157 /nfs/dbraw/zinc/71/11/57/499711157.db2.gz CVMSKJDTTSLXNV-LJQANCHMSA-N 1 0 353.510 3.147 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621087 499711485 /nfs/dbraw/zinc/71/14/85/499711485.db2.gz GHXQSRBWTDSQNP-GOEBONIOSA-N 1 0 374.485 3.140 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377917951 499748050 /nfs/dbraw/zinc/74/80/50/499748050.db2.gz KXKPVBONZJSWRY-UHFFFAOYSA-N 1 0 369.509 3.325 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418095180 500228731 /nfs/dbraw/zinc/22/87/31/500228731.db2.gz GHKHXPVUOXNJFL-UHFFFAOYSA-N 1 0 354.498 3.162 20 10 FGCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2cc(Br)ccc21 ZINC000422962013 500324907 /nfs/dbraw/zinc/32/49/07/500324907.db2.gz BPHJCXSVXPLKDX-UHFFFAOYSA-N 1 0 359.267 3.414 20 10 FGCDRO CO[C@@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444121276 500806216 /nfs/dbraw/zinc/80/62/16/500806216.db2.gz HLVXTOGZGYMXNY-QGZVFWFLSA-N 1 0 369.509 3.045 20 10 FGCDRO CSCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435821088 501033991 /nfs/dbraw/zinc/03/39/91/501033991.db2.gz ZXBSCQGMYSXYQA-UHFFFAOYSA-N 1 0 359.539 3.229 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000481572407 501818862 /nfs/dbraw/zinc/81/88/62/501818862.db2.gz QUSUFZPLMVZGLN-KRWDZBQOSA-N 1 0 355.869 3.326 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000471733894 502122582 /nfs/dbraw/zinc/12/25/82/502122582.db2.gz DCXJKWDSMRRGAF-CVEARBPZSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000472008921 502198803 /nfs/dbraw/zinc/19/88/03/502198803.db2.gz RTZOFEQVALZFSK-ALOPSCKCSA-N 1 0 354.498 3.301 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000484695444 502711908 /nfs/dbraw/zinc/71/19/08/502711908.db2.gz NEHISOHOOOWQLW-TZIWHRDSSA-N 1 0 369.509 3.261 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)ccc21 ZINC000538921035 504417031 /nfs/dbraw/zinc/41/70/31/504417031.db2.gz DKYNPTVDUDOYJZ-DLBZAZTESA-N 1 0 357.498 3.069 20 10 FGCDRO CC[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[N@H+](C)Cc1ccccc1 ZINC000559276098 504817427 /nfs/dbraw/zinc/81/74/27/504817427.db2.gz NSMCNBKBPQZXGS-IBGZPJMESA-N 1 0 367.493 3.389 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)ccc21 ZINC000566405305 505165592 /nfs/dbraw/zinc/16/55/92/505165592.db2.gz VWTUWKUFMIMJCR-YJBOKZPZSA-N 1 0 357.498 3.022 20 10 FGCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC4(CCCC4)c4c3cccc4F)c21 ZINC000592518101 507691843 /nfs/dbraw/zinc/69/18/43/507691843.db2.gz DHXVOUFKADUZGL-AWEZNQCLSA-N 1 0 368.456 3.331 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000821196587 599408231 /nfs/dbraw/zinc/40/82/31/599408231.db2.gz BFDVWUXNEYBSSK-UHFFFAOYSA-N 1 0 366.469 3.011 20 10 FGCDRO CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458189 600718034 /nfs/dbraw/zinc/71/80/34/600718034.db2.gz KGYZKOLACRHFJV-HNNXBMFYSA-N 1 0 356.466 3.407 20 10 FGCDRO c1csc(SCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)n1 ZINC000826527055 608513693 /nfs/dbraw/zinc/51/36/93/608513693.db2.gz XLVHAKUVUGMLPJ-OAHLLOKOSA-N 1 0 372.523 3.473 20 10 FGCDRO CN(C)c1ccc(C[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C2CC2)cc1 ZINC000825879044 608645212 /nfs/dbraw/zinc/64/52/12/608645212.db2.gz GHKUMAHFJXKLPA-UHFFFAOYSA-N 1 0 366.444 3.236 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCC(C)C ZINC000076118529 700224729 /nfs/dbraw/zinc/22/47/29/700224729.db2.gz QGWDSDUGQUCVKS-LBPRGKRZSA-N 1 0 357.292 3.137 20 10 FGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092710079 700440329 /nfs/dbraw/zinc/44/03/29/700440329.db2.gz CRUFJTNXTMQBSZ-CYBMUJFWSA-N 1 0 369.303 3.283 20 10 FGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(Br)cc1 ZINC000111235879 700547115 /nfs/dbraw/zinc/54/71/15/700547115.db2.gz URAKBVRKFBRFKD-HNNXBMFYSA-N 1 0 366.255 3.026 20 10 FGCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000121040047 700664457 /nfs/dbraw/zinc/66/44/57/700664457.db2.gz BCRNXQPBFBGEDT-WBVHZDCISA-N 1 0 368.905 3.023 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1O ZINC000125221659 700732708 /nfs/dbraw/zinc/73/27/08/700732708.db2.gz OYPJPQFTUBKBCZ-CRAIPNDOSA-N 1 0 360.841 3.116 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000129820736 700792406 /nfs/dbraw/zinc/79/24/06/700792406.db2.gz NUNBAGRYPOSYTE-QAPCUYQASA-N 1 0 350.478 3.254 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c1O ZINC000152485151 704963986 /nfs/dbraw/zinc/96/39/86/704963986.db2.gz IEFUYHKMTHFGGR-HUUCEWRRSA-N 1 0 350.459 3.326 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000154863240 705052299 /nfs/dbraw/zinc/05/22/99/705052299.db2.gz PUPPZVDUCKDVRN-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](CCO)C2CCCCC2)c1O ZINC000155129625 705064835 /nfs/dbraw/zinc/06/48/35/705064835.db2.gz VCJWQLZTFMMUPT-UHFFFAOYSA-N 1 0 358.276 3.290 20 10 FGCDRO Cc1nsc(N2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)CC2)n1 ZINC000160310464 705250219 /nfs/dbraw/zinc/25/02/19/705250219.db2.gz RDLAWRYBIIFSBT-UHFFFAOYSA-N 1 0 358.511 3.143 20 10 FGCDRO CCCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160757538 705260876 /nfs/dbraw/zinc/26/08/76/705260876.db2.gz XPIHQHZCVPRUJL-HXUWFJFHSA-N 1 0 364.555 3.466 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC1CCCC1 ZINC000174423642 705503520 /nfs/dbraw/zinc/50/35/20/705503520.db2.gz JCXOAJVMPJNNNP-GFCCVEGCSA-N 1 0 369.303 3.424 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000177852567 705642759 /nfs/dbraw/zinc/64/27/59/705642759.db2.gz YZWHICYOLUTAJP-UHFFFAOYSA-N 1 0 368.572 3.285 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179946431 705721724 /nfs/dbraw/zinc/72/17/24/705721724.db2.gz PYAYNZJRNSSANC-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000190105436 712806718 /nfs/dbraw/zinc/80/67/18/712806718.db2.gz BBUJCUAPIKHVIQ-CZUORRHYSA-N 1 0 350.459 3.278 20 10 FGCDRO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000237344795 713590711 /nfs/dbraw/zinc/59/07/11/713590711.db2.gz MQGBVSUYLLDHLZ-UHFFFAOYSA-N 1 0 364.287 3.148 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000375085655 713965926 /nfs/dbraw/zinc/96/59/26/713965926.db2.gz ZUPYKOUCXHQOPM-UHFFFAOYSA-N 1 0 370.287 3.235 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000380975860 713977381 /nfs/dbraw/zinc/97/73/81/713977381.db2.gz BDORCTHDTZSGCV-GDBMZVCRSA-N 1 0 350.459 3.069 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1O ZINC000779431956 724413163 /nfs/dbraw/zinc/41/31/63/724413163.db2.gz IKBJHPIMVWKZET-ZIAGYGMSSA-N 1 0 372.303 3.392 20 10 FGCDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000780893850 724512590 /nfs/dbraw/zinc/51/25/90/724512590.db2.gz UEWAIJYDGOBHNK-LLVKDONJSA-N 1 0 356.260 3.237 20 10 FGCDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1c(O)cccc1Br ZINC000706809500 722412186 /nfs/dbraw/zinc/41/21/86/722412186.db2.gz ATRICMJGWUKLGS-UHFFFAOYSA-N 1 0 359.264 3.159 20 10 FGCDRO COCCOc1ccccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000725847348 722424786 /nfs/dbraw/zinc/42/47/86/722424786.db2.gz HYGVMBAWWKXTGY-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO CCN(CC)c1ccc(CNC(=S)NC[C@H]2CCC[N@@H+]2CC)cc1F ZINC000731320734 722474596 /nfs/dbraw/zinc/47/45/96/722474596.db2.gz XJPRBIUWSBBUDR-MRXNPFEDSA-N 1 0 366.550 3.120 20 10 FGCDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000738548158 722530709 /nfs/dbraw/zinc/53/07/09/722530709.db2.gz JHFGBYUWFAXQDY-UHFFFAOYSA-N 1 0 359.495 3.484 20 10 FGCDRO CC(C)[NH+](CCCNC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000746418295 722602160 /nfs/dbraw/zinc/60/21/60/722602160.db2.gz XTSJDJRUECPIAJ-UHFFFAOYSA-N 1 0 352.498 3.200 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](C)c2ccncc2)c1O ZINC000749295965 722723447 /nfs/dbraw/zinc/72/34/47/722723447.db2.gz LTJHTTOTHQPISR-LLVKDONJSA-N 1 0 351.244 3.452 20 10 FGCDRO CC(C)OCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752595413 722864112 /nfs/dbraw/zinc/86/41/12/722864112.db2.gz FCZNPOUZKZYTEX-QGZVFWFLSA-N 1 0 368.905 3.331 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000753733499 722910930 /nfs/dbraw/zinc/91/09/30/722910930.db2.gz VFFBROGWTVAISJ-DOTOQJQBSA-N 1 0 368.518 3.434 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1O ZINC000760898740 723102984 /nfs/dbraw/zinc/10/29/84/723102984.db2.gz JCYBTCDGQSROCR-UHFFFAOYSA-N 1 0 353.846 3.223 20 10 FGCDRO Cc1cccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c1O ZINC000763420741 723341748 /nfs/dbraw/zinc/34/17/48/723341748.db2.gz LEMWXWDUAJAIAC-AWEZNQCLSA-N 1 0 364.283 3.404 20 10 FGCDRO Brc1cnn(CCCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000793206399 723410951 /nfs/dbraw/zinc/41/09/51/723410951.db2.gz HHGSMAIPEDSCQX-UHFFFAOYSA-N 1 0 350.260 3.151 20 10 FGCDRO COC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC(C)CC1 ZINC000793289774 723421692 /nfs/dbraw/zinc/42/16/92/723421692.db2.gz DDGCRORTTOZJEU-UHFFFAOYSA-N 1 0 350.478 3.347 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000793609569 723454470 /nfs/dbraw/zinc/45/44/70/723454470.db2.gz OWGSAHTUONABGZ-KBPBESRZSA-N 1 0 356.260 3.307 20 10 FGCDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765257159 723498772 /nfs/dbraw/zinc/49/87/72/723498772.db2.gz XFONGEMQRHXHEN-WBVHZDCISA-N 1 0 363.571 3.398 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000765408193 723510740 /nfs/dbraw/zinc/51/07/40/723510740.db2.gz JKPLZXAUEAYQSG-MRXNPFEDSA-N 1 0 367.559 3.045 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794831351 723548240 /nfs/dbraw/zinc/54/82/40/723548240.db2.gz CXRVLWVGNUYWDY-HOCLYGCPSA-N 1 0 352.906 3.378 20 10 FGCDRO CCOc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c(O)c1 ZINC000767427255 723618834 /nfs/dbraw/zinc/61/88/34/723618834.db2.gz XMSWMZSACMKKRT-MRXNPFEDSA-N 1 0 366.255 3.377 20 10 FGCDRO CCOc1cc(NC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)ncn1 ZINC000768536204 723660700 /nfs/dbraw/zinc/66/07/00/723660700.db2.gz RRFFNFMACZZEPI-UHFFFAOYSA-N 1 0 362.861 3.311 20 10 FGCDRO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000769290019 723681522 /nfs/dbraw/zinc/68/15/22/723681522.db2.gz HEXDAISDEASLSQ-HNNXBMFYSA-N 1 0 369.303 3.378 20 10 FGCDRO CC1(C)CCC[N@H+](CCNC(=O)NCCCSc2nccs2)C1 ZINC000770738634 723720263 /nfs/dbraw/zinc/72/02/63/723720263.db2.gz CFEOSTFHNPBJMD-UHFFFAOYSA-N 1 0 356.561 3.047 20 10 FGCDRO CC[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058316 723726999 /nfs/dbraw/zinc/72/69/99/723726999.db2.gz MMRBSESEWRSTLQ-NUJGCVRESA-N 1 0 366.889 3.084 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC(F)(F)C1 ZINC000771062500 723727101 /nfs/dbraw/zinc/72/71/01/723727101.db2.gz ABAFZEFOZMPGGX-CQSZACIVSA-N 1 0 358.816 3.172 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000797139879 723785732 /nfs/dbraw/zinc/78/57/32/723785732.db2.gz JWXYSMZZZXXDOW-VWYCJHECSA-N 1 0 366.462 3.259 20 10 FGCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000798963280 723980934 /nfs/dbraw/zinc/98/09/34/723980934.db2.gz BUXBCPFYYQWFQU-SFHVURJKSA-N 1 0 355.862 3.146 20 10 FGCDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000775350513 723985142 /nfs/dbraw/zinc/98/51/42/723985142.db2.gz NJNWVTSIPCCUNJ-NWDGAFQWSA-N 1 0 371.275 3.111 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+](CCO)Cc2ccccc2)c1O ZINC000775638165 724013935 /nfs/dbraw/zinc/01/39/35/724013935.db2.gz BPFXJFBTQKOTHR-UHFFFAOYSA-N 1 0 350.256 3.458 20 10 FGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(OCC)c2O)C1 ZINC000776811750 724185345 /nfs/dbraw/zinc/18/53/45/724185345.db2.gz OMTIAUOJJHTXBI-GDBMZVCRSA-N 1 0 350.459 3.138 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)[C@H](O)CO2 ZINC000800865021 724239483 /nfs/dbraw/zinc/23/94/83/724239483.db2.gz WRABIVJPRPWDEG-ZBFHGGJFSA-N 1 0 357.372 3.373 20 10 FGCDRO Cc1ccn(C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784440745 724853100 /nfs/dbraw/zinc/85/31/00/724853100.db2.gz AIOCEPSMQWTLLV-MRXNPFEDSA-N 1 0 361.873 3.087 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000784621207 724868544 /nfs/dbraw/zinc/86/85/44/724868544.db2.gz NPKWXQUJQAPAKI-IBGZPJMESA-N 1 0 352.544 3.370 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(Cl)cs3)CC2)cc1 ZINC000785435468 724912050 /nfs/dbraw/zinc/91/20/50/724912050.db2.gz FBXIKXQLEJVWQE-UHFFFAOYSA-N 1 0 365.930 3.322 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1OC ZINC000787331334 725025223 /nfs/dbraw/zinc/02/52/23/725025223.db2.gz HYGNBDJEUHCKNX-OAHLLOKOSA-N 1 0 355.793 3.025 20 10 FGCDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788755902 725086029 /nfs/dbraw/zinc/08/60/29/725086029.db2.gz SYNFYPOBAUCDCI-KBPBESRZSA-N 1 0 359.436 3.088 20 10 FGCDRO Cc1nccn1C[C@@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806652372 725139457 /nfs/dbraw/zinc/13/94/57/725139457.db2.gz WBRVBYSSWIYEMH-JTQLQIEISA-N 1 0 371.268 3.339 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1O ZINC000808681155 725213255 /nfs/dbraw/zinc/21/32/55/725213255.db2.gz VQCWUTUNBCINJD-ZDUSSCGKSA-N 1 0 353.871 3.479 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)cc2Br)c(O)c1 ZINC000809658569 725256958 /nfs/dbraw/zinc/25/69/58/725256958.db2.gz RLEGNCMSAWRDPH-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809709069 725261111 /nfs/dbraw/zinc/26/11/11/725261111.db2.gz LZBPUYFIOKQUOG-CQSZACIVSA-N 1 0 371.275 3.207 20 10 FGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000810259745 725300360 /nfs/dbraw/zinc/30/03/60/725300360.db2.gz RLAJYQFCXCYFAM-KUHUBIRLSA-N 1 0 352.906 3.378 20 10 FGCDRO COC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812536054 725399645 /nfs/dbraw/zinc/39/96/45/725399645.db2.gz OXUAPZAJLGNUPS-GRDNDAEWSA-N 1 0 368.905 3.045 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000814177818 726945208 /nfs/dbraw/zinc/94/52/08/726945208.db2.gz QAOASHOZSPHQPS-HNNXBMFYSA-N 1 0 370.218 3.126 20 10 FGCDRO COc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)c(Cl)c1OC ZINC000815145238 727044736 /nfs/dbraw/zinc/04/47/36/727044736.db2.gz QCGFEMRDXPSWOI-UHFFFAOYSA-N 1 0 365.813 3.124 20 10 FGCDRO CCCN(Cc1ccccc1O)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000816914247 727205299 /nfs/dbraw/zinc/20/52/99/727205299.db2.gz KELXEAIMJKOODB-SFHVURJKSA-N 1 0 362.539 3.348 20 10 FGCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3CC4(C3)CCCCC4)cc2)CC1 ZINC000817407660 727247752 /nfs/dbraw/zinc/24/77/52/727247752.db2.gz XKXVDUQFOUSKNR-UHFFFAOYSA-N 1 0 362.539 3.124 20 10 FGCDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1=O ZINC000817589894 727268993 /nfs/dbraw/zinc/26/89/93/727268993.db2.gz RACBOLUCSFQKDP-RYUDHWBXSA-N 1 0 355.276 3.064 20 10 FGCDRO C[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)ccc1O ZINC000817939922 727289022 /nfs/dbraw/zinc/28/90/22/727289022.db2.gz IFPTVTFUENXRGR-CYBMUJFWSA-N 1 0 364.287 3.380 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000817987559 727290729 /nfs/dbraw/zinc/29/07/29/727290729.db2.gz UITXSUNGYSCSNR-MRBYEJRBSA-N 1 0 357.267 3.333 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)Cc1ccc(F)cc1 ZINC000818964265 727331788 /nfs/dbraw/zinc/33/17/88/727331788.db2.gz PKSDGMGJDGYNKS-HXUWFJFHSA-N 1 0 360.498 3.072 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1F ZINC000818964448 727331825 /nfs/dbraw/zinc/33/18/25/727331825.db2.gz WMGVEXRGYCVBCT-LJQANCHMSA-N 1 0 364.461 3.341 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COc1ccc(Cl)cc1 ZINC000819094753 727346871 /nfs/dbraw/zinc/34/68/71/727346871.db2.gz LFCSIDRQUNZPNT-IBGZPJMESA-N 1 0 358.869 3.246 20 10 FGCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000819291442 727364940 /nfs/dbraw/zinc/36/49/40/727364940.db2.gz VDPZSYPTPUCTGY-ZIAGYGMSSA-N 1 0 358.935 3.099 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1SC ZINC000822494715 729181625 /nfs/dbraw/zinc/18/16/25/729181625.db2.gz UUYQENYIKSAUKY-WQANXHIZSA-N 1 0 350.528 3.020 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C2(CCO)CCOCC2)cc1 ZINC000823569013 729289255 /nfs/dbraw/zinc/28/92/55/729289255.db2.gz RSFBGCNBGJVNOI-UHFFFAOYSA-N 1 0 360.523 3.406 20 10 FGCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823653914 729296383 /nfs/dbraw/zinc/29/63/83/729296383.db2.gz HOCGYUGBVMSELL-KRWDZBQOSA-N 1 0 359.539 3.195 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C[C@H](C)O1 ZINC000823671204 729297780 /nfs/dbraw/zinc/29/77/80/729297780.db2.gz KCJVSJGGVSVBRB-DXWTWGPWSA-N 1 0 350.478 3.485 20 10 FGCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000823737585 729301808 /nfs/dbraw/zinc/30/18/08/729301808.db2.gz ZQVAIPOFBFJRMZ-CQSZACIVSA-N 1 0 364.486 3.189 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000823997189 729315358 /nfs/dbraw/zinc/31/53/58/729315358.db2.gz WDMOIDWMVZTSJK-HXUWFJFHSA-N 1 0 360.523 3.263 20 10 FGCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(Br)cc2O)oc1C ZINC000824542468 729346319 /nfs/dbraw/zinc/34/63/19/729346319.db2.gz SQDQKZLRRFUFLQ-UHFFFAOYSA-N 1 0 368.227 3.475 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(C(F)(F)F)cc1O ZINC000824584052 729349203 /nfs/dbraw/zinc/34/92/03/729349203.db2.gz VWQRHOKSZGLMCC-GDBMZVCRSA-N 1 0 360.420 3.299 20 10 FGCDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824694559 729355522 /nfs/dbraw/zinc/35/55/22/729355522.db2.gz OZKKWZOVISVYLV-UHFFFAOYSA-N 1 0 371.275 3.207 20 10 FGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(Br)cc2O)cc1 ZINC000824813988 729360054 /nfs/dbraw/zinc/36/00/54/729360054.db2.gz KJDVISNJHJLZHX-MRXNPFEDSA-N 1 0 366.255 3.329 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)cc1Cl ZINC000825126863 729372135 /nfs/dbraw/zinc/37/21/35/729372135.db2.gz SRLCLZOVSCKOGI-UHFFFAOYSA-N 1 0 362.857 3.111 20 10 FGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(Br)cc2O)c(C)o1 ZINC000825303646 729377787 /nfs/dbraw/zinc/37/77/87/729377787.db2.gz KXQZJNHKBIWMPS-INIZCTEOSA-N 1 0 354.244 3.362 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1Cl ZINC000825303318 729377802 /nfs/dbraw/zinc/37/78/02/729377802.db2.gz HIKMFPOSDUYEQR-HXUWFJFHSA-N 1 0 360.885 3.081 20 10 FGCDRO OC[C@]1(C[NH2+]Cc2ccc(Br)cc2O)C[C@H]1c1ccccc1 ZINC000825944138 729400240 /nfs/dbraw/zinc/40/02/40/729400240.db2.gz RAUPAUVLIVXCGK-FUHWJXTLSA-N 1 0 362.267 3.411 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000826940640 729419556 /nfs/dbraw/zinc/41/95/56/729419556.db2.gz DOQVMUNFAXOJTP-MRXNPFEDSA-N 1 0 364.848 3.041 20 10 FGCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C ZINC000827537475 729431529 /nfs/dbraw/zinc/43/15/29/729431529.db2.gz DCYIIIVUERCMJL-SWLSCSKDSA-N 1 0 358.404 3.402 20 10 FGCDRO Cc1nc(CC(C)C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832267528 729701011 /nfs/dbraw/zinc/70/10/11/729701011.db2.gz UOGJEARPMSVAOQ-MRXNPFEDSA-N 1 0 360.527 3.146 20 10 FGCDRO CSCc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1F ZINC000832267060 729701053 /nfs/dbraw/zinc/70/10/53/729701053.db2.gz MFOJNDUYONNCOP-SFHVURJKSA-N 1 0 361.486 3.185 20 10 FGCDRO CCSCc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832273203 729701231 /nfs/dbraw/zinc/70/12/31/729701231.db2.gz LVGIQULXZQHKRZ-IBGZPJMESA-N 1 0 357.523 3.436 20 10 FGCDRO Cc1nc(CC(C)C)sc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281628 729701777 /nfs/dbraw/zinc/70/17/77/729701777.db2.gz VCPRYZLCJFKOSQ-INIZCTEOSA-N 1 0 360.527 3.146 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000832292236 729703092 /nfs/dbraw/zinc/70/30/92/729703092.db2.gz DHLSWZCPYPNQIK-QGZVFWFLSA-N 1 0 366.292 3.418 20 10 FGCDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)C2=CC(=O)CS2)CC1 ZINC000834755455 729831782 /nfs/dbraw/zinc/83/17/82/729831782.db2.gz SOZASUZLEVOWPR-UHFFFAOYSA-N 1 0 359.495 3.484 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(Br)ccc1O ZINC000834851021 729839109 /nfs/dbraw/zinc/83/91/09/729839109.db2.gz SEAIHIOGVNDTFV-GDBMZVCRSA-N 1 0 371.319 3.042 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1O ZINC000834882904 729842058 /nfs/dbraw/zinc/84/20/58/729842058.db2.gz VFKXWSQCTGMNMK-SFHVURJKSA-N 1 0 362.495 3.192 20 10 FGCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840759482 730170488 /nfs/dbraw/zinc/17/04/88/730170488.db2.gz MSHDTDKPPYCMOX-CRAIPNDOSA-N 1 0 354.441 3.096 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cc(Cl)ccc1O ZINC000840796950 730175130 /nfs/dbraw/zinc/17/51/30/730175130.db2.gz ICBVKLFYYBHDKW-BLLLJJGKSA-N 1 0 355.862 3.112 20 10 FGCDRO Cc1ccc([C@@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)N2CCOCC2)o1 ZINC000840871877 730186077 /nfs/dbraw/zinc/18/60/77/730186077.db2.gz GUPRLFGAMOFORD-QGZVFWFLSA-N 1 0 364.873 3.419 20 10 FGCDRO Cc1cc(O)c(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000840909133 730189977 /nfs/dbraw/zinc/18/99/77/730189977.db2.gz PQKIJQRWVRXGFR-ROUUACIJSA-N 1 0 352.906 3.212 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)cc2Cl)C1 ZINC000841896884 730283917 /nfs/dbraw/zinc/28/39/17/730283917.db2.gz OKTOMFFDUCJGRV-CXAGYDPISA-N 1 0 364.921 3.113 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[NH2+]CC3)cc2Cl)C1 ZINC000841895512 730283958 /nfs/dbraw/zinc/28/39/58/730283958.db2.gz DHBVWGBSDNKECW-HNNXBMFYSA-N 1 0 364.921 3.081 20 10 FGCDRO COc1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC000842626168 730521430 /nfs/dbraw/zinc/52/14/30/730521430.db2.gz VEPPTSUBVFNYCS-LJQANCHMSA-N 1 0 351.512 3.406 20 10 FGCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000845971055 730913494 /nfs/dbraw/zinc/91/34/94/730913494.db2.gz GXILUBUIJYYFLM-XQQFMLRXSA-N 1 0 357.397 3.419 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000846167268 730933132 /nfs/dbraw/zinc/93/31/32/730933132.db2.gz VVRDRZLCFTXABW-OCCSQVGLSA-N 1 0 351.393 3.181 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846205695 730936131 /nfs/dbraw/zinc/93/61/31/730936131.db2.gz KBQOYPJFHSAISW-NEPJUHHUSA-N 1 0 367.287 3.125 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000846206256 730936424 /nfs/dbraw/zinc/93/64/24/730936424.db2.gz OQHVZEDCHPSEMC-IAQYHMDHSA-N 1 0 367.287 3.206 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H](C)SC3)CC2)cc1 ZINC000848516177 731173827 /nfs/dbraw/zinc/17/38/27/731173827.db2.gz AKWOIUGKNHJNGE-QZTJIDSGSA-N 1 0 363.571 3.081 20 10 FGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848545949 731179199 /nfs/dbraw/zinc/17/91/99/731179199.db2.gz OAJIOGJEBVTLED-VZJVUDMVSA-N 1 0 374.275 3.008 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)c1O ZINC000848548372 731179532 /nfs/dbraw/zinc/17/95/32/731179532.db2.gz WHNBPCJDLWZUOY-MJVIPROJSA-N 1 0 358.276 3.365 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1O ZINC000848573673 731184623 /nfs/dbraw/zinc/18/46/23/731184623.db2.gz IPPDHTKZOFPCJI-TZMCWYRMSA-N 1 0 358.360 3.435 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350804 731251328 /nfs/dbraw/zinc/25/13/28/731251328.db2.gz XCYCUEJSWJVLPS-CQSZACIVSA-N 1 0 353.304 3.366 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](C)c2ccccn2)c1O ZINC000850342939 731344513 /nfs/dbraw/zinc/34/45/13/731344513.db2.gz WGZWLXDSSGUUMZ-NSHDSACASA-N 1 0 351.244 3.452 20 10 FGCDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850424007 731355520 /nfs/dbraw/zinc/35/55/20/731355520.db2.gz FNQIBRMVQACIIF-IBGZPJMESA-N 1 0 364.555 3.161 20 10 FGCDRO C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000850483941 731361725 /nfs/dbraw/zinc/36/17/25/731361725.db2.gz YXMVOSWNHJHNIA-ZDUSSCGKSA-N 1 0 354.441 3.212 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)C2)cc1 ZINC000850489080 731362639 /nfs/dbraw/zinc/36/26/39/731362639.db2.gz QJDBAFDGCHKAHY-VFHHBZAHSA-N 1 0 358.507 3.362 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000858149908 732186072 /nfs/dbraw/zinc/18/60/72/732186072.db2.gz ZRUUAHKLUSCYAY-LLVKDONJSA-N 1 0 366.234 3.057 20 10 FGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000858195393 732191268 /nfs/dbraw/zinc/19/12/68/732191268.db2.gz VDLFRRRFROEOTG-YVEFUNNKSA-N 1 0 350.256 3.409 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]Cc2cc(Br)cnc2OC)c1O ZINC000858494841 732220484 /nfs/dbraw/zinc/22/04/84/732220484.db2.gz OTUCNVVSMWLISS-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865463367 733206046 /nfs/dbraw/zinc/20/60/46/733206046.db2.gz ZMLKRQTVSIKWRH-INIZCTEOSA-N 1 0 360.889 3.331 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000865783002 733269355 /nfs/dbraw/zinc/26/93/55/733269355.db2.gz JXXZHSCDCHDSJF-CQSZACIVSA-N 1 0 363.479 3.088 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000865791204 733270824 /nfs/dbraw/zinc/27/08/24/733270824.db2.gz MFQXSGWPPPDEKD-OTVXOJSOSA-N 1 0 350.459 3.184 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000866463052 733353042 /nfs/dbraw/zinc/35/30/42/733353042.db2.gz HQRPHEZALHDWFC-DJOAAKCGSA-N 1 0 372.181 3.126 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1O ZINC000866530416 733361376 /nfs/dbraw/zinc/36/13/76/733361376.db2.gz ASYSFBZNSOMZKD-JSGCOSHPSA-N 1 0 370.287 3.391 20 10 FGCDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000872118463 735591541 /nfs/dbraw/zinc/59/15/41/735591541.db2.gz ZZEDSTRTHDGPGC-CABCVRRESA-N 1 0 366.889 3.171 20 10 FGCDRO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1[O-] ZINC000872118940 735592053 /nfs/dbraw/zinc/59/20/53/735592053.db2.gz LVFKBLDYZIBATH-IAYQEVDDSA-N 1 0 357.903 3.442 20 10 FGCDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130739 736191342 /nfs/dbraw/zinc/19/13/42/736191342.db2.gz SWSHHKQNVVCMND-HNAYVOBHSA-N 1 0 360.523 3.311 20 10 FGCDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000877812951 736726665 /nfs/dbraw/zinc/72/66/65/736726665.db2.gz GVSDYEYLEJXHRS-MRXNPFEDSA-N 1 0 361.486 3.417 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822734 736730536 /nfs/dbraw/zinc/73/05/36/736730536.db2.gz HTOJZRMEPANIOQ-WMLDXEAASA-N 1 0 358.404 3.065 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000881855183 737390094 /nfs/dbraw/zinc/39/00/94/737390094.db2.gz QTAKQZUKRVVJJQ-HNNXBMFYSA-N 1 0 370.324 3.029 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3sccc3C3CC3)cc2)CC1 ZINC000881851715 737390203 /nfs/dbraw/zinc/39/02/03/737390203.db2.gz PFFIUXQBTGWSHQ-UHFFFAOYSA-N 1 0 355.507 3.307 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883146302 737529400 /nfs/dbraw/zinc/52/94/00/737529400.db2.gz HVCYPZRUWFUSHG-HNNXBMFYSA-N 1 0 358.555 3.305 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)c2scnc2C(F)F)[NH+](C)C)cc1 ZINC000891245548 739885871 /nfs/dbraw/zinc/88/58/71/739885871.db2.gz GILBJNWFDZLVQN-ZDUSSCGKSA-N 1 0 368.453 3.179 20 10 FGCDRO Cc1csc([C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891248884 739886449 /nfs/dbraw/zinc/88/64/49/739886449.db2.gz NXVKMRBDCVUNRR-YOEHRIQHSA-N 1 0 360.527 3.040 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c(O)c1OC ZINC000893087833 742107972 /nfs/dbraw/zinc/10/79/72/742107972.db2.gz FWLWOFXMHCJHMK-MGPLVRAMSA-N 1 0 369.820 3.414 20 10 FGCDRO COC(=O)c1sccc1C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000895007064 742362806 /nfs/dbraw/zinc/36/28/06/742362806.db2.gz XFADXQVYLIFHDI-CQSZACIVSA-N 1 0 360.479 3.159 20 10 FGCDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896949584 742620396 /nfs/dbraw/zinc/62/03/96/742620396.db2.gz SSQZBQWLVOBMND-UHFFFAOYSA-N 1 0 360.435 3.110 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897429133 742678459 /nfs/dbraw/zinc/67/84/59/742678459.db2.gz ASIKSCDHWRUNKV-UHFFFAOYSA-N 1 0 350.260 3.441 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000903156382 743814272 /nfs/dbraw/zinc/81/42/72/743814272.db2.gz RYEPUVJTFJRREN-LYGPFTKASA-N 1 0 352.544 3.397 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)c2c1c(F)ccc2O ZINC000903187928 743819745 /nfs/dbraw/zinc/81/97/45/743819745.db2.gz LCDCYKPKMTYZNB-KWQFWETISA-N 1 0 354.223 3.365 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000922673111 758973587 /nfs/dbraw/zinc/97/35/87/758973587.db2.gz MCFFQALIXXMJLG-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922684320 758980073 /nfs/dbraw/zinc/98/00/73/758980073.db2.gz MEIQMTBEQWHLLI-UHFFFAOYSA-N 1 0 359.491 3.138 20 10 FGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1c(O)cccc1Br ZINC000922714427 758989579 /nfs/dbraw/zinc/98/95/79/758989579.db2.gz XTIJBHWTDBJRFW-UHFFFAOYSA-N 1 0 364.165 3.197 20 10 FGCDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924762089 759381604 /nfs/dbraw/zinc/38/16/04/759381604.db2.gz XSNFPBZJBXXZSL-OXQOHEQNSA-N 1 0 352.494 3.206 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000926953158 759856703 /nfs/dbraw/zinc/85/67/03/759856703.db2.gz IHQXDBNWFQPICA-MRXNPFEDSA-N 1 0 352.544 3.398 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000927002717 759874337 /nfs/dbraw/zinc/87/43/37/759874337.db2.gz YFSWUQZALUOTLW-NSHDSACASA-N 1 0 356.260 3.267 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000089618956 494332065 /nfs/dbraw/zinc/33/20/65/494332065.db2.gz FHVHHHUECBMPDM-PBHICJAKSA-N 1 0 369.431 3.491 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1O ZINC000079498269 494465557 /nfs/dbraw/zinc/46/55/57/494465557.db2.gz WZVWLOZYHGNHBE-GOSISDBHSA-N 1 0 365.445 3.284 20 10 FGCDRO Cc1ccc(O)c(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000092512381 494652977 /nfs/dbraw/zinc/65/29/77/494652977.db2.gz OCTDHBBKJIXREL-UHFFFAOYSA-N 1 0 363.479 3.005 20 10 FGCDRO O=S(=O)(CCC[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1 ZINC000113325364 495296573 /nfs/dbraw/zinc/29/65/73/495296573.db2.gz QSLKQLXASSKADK-UHFFFAOYSA-N 1 0 353.871 3.140 20 10 FGCDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccccc3O)CC2)cc1 ZINC000179566105 495642188 /nfs/dbraw/zinc/64/21/88/495642188.db2.gz ZXTVVGXXLKBXIH-UHFFFAOYSA-N 1 0 368.477 3.068 20 10 FGCDRO Cc1csc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000151059481 495726531 /nfs/dbraw/zinc/72/65/31/495726531.db2.gz LFZCJWPKIMMMPV-UHFFFAOYSA-N 1 0 372.538 3.047 20 10 FGCDRO NC(=O)CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182996440 495791517 /nfs/dbraw/zinc/79/15/17/495791517.db2.gz IRCBAVAKRGIXTI-UHFFFAOYSA-N 1 0 354.450 3.059 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000186040842 495832234 /nfs/dbraw/zinc/83/22/34/495832234.db2.gz LWEXLPNUKHEBQH-MRXNPFEDSA-N 1 0 373.522 3.143 20 10 FGCDRO CCNC(=O)c1cccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000160180435 495902673 /nfs/dbraw/zinc/90/26/73/495902673.db2.gz GWCOVJFPYPWDIT-UHFFFAOYSA-N 1 0 367.493 3.204 20 10 FGCDRO COc1cc(O)c(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1OC ZINC000160520397 495982073 /nfs/dbraw/zinc/98/20/73/495982073.db2.gz QTPSQDFQNZOFOI-UHFFFAOYSA-N 1 0 361.413 3.344 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1O ZINC000183458470 495992794 /nfs/dbraw/zinc/99/27/94/495992794.db2.gz ZKAINLIGPOIKAP-ULQDDVLXSA-N 1 0 368.477 3.492 20 10 FGCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2cnn3ccccc23)SC1=S ZINC000171770519 496029483 /nfs/dbraw/zinc/02/94/83/496029483.db2.gz GNAQZEBQUOOJQK-OQLLNIDSSA-N 1 0 374.535 3.123 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000180804340 496153762 /nfs/dbraw/zinc/15/37/62/496153762.db2.gz YNTSTZBKAKLYAY-ZDUSSCGKSA-N 1 0 355.360 3.453 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161424141 496172789 /nfs/dbraw/zinc/17/27/89/496172789.db2.gz OALYALJWXMIWFH-LSDHHAIUSA-N 1 0 361.511 3.073 20 10 FGCDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Br)ccc1O ZINC000186868745 496188176 /nfs/dbraw/zinc/18/81/76/496188176.db2.gz LVIBUSFMAAJLLU-NSHDSACASA-N 1 0 364.305 3.020 20 10 FGCDRO Cn1cccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000161695088 496223218 /nfs/dbraw/zinc/22/32/18/496223218.db2.gz GQZZCOLVJMCGGQ-UHFFFAOYSA-N 1 0 353.388 3.170 20 10 FGCDRO CC[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000157424575 496475367 /nfs/dbraw/zinc/47/53/67/496475367.db2.gz JCIMZCOKTJDUJC-RTBURBONSA-N 1 0 353.466 3.405 20 10 FGCDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Br)cc1O ZINC000185052574 496639132 /nfs/dbraw/zinc/63/91/32/496639132.db2.gz JAKVXAMNWJZZFK-NSHDSACASA-N 1 0 356.260 3.491 20 10 FGCDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Br)cc1O ZINC000185052593 496639501 /nfs/dbraw/zinc/63/95/01/496639501.db2.gz JAKVXAMNWJZZFK-LLVKDONJSA-N 1 0 356.260 3.491 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c1 ZINC000185146989 496680966 /nfs/dbraw/zinc/68/09/66/496680966.db2.gz LTCCVLJJLULOSX-GOSISDBHSA-N 1 0 370.493 3.262 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000185322399 496728912 /nfs/dbraw/zinc/72/89/12/496728912.db2.gz XFDUKFWJBGIDNO-RYUDHWBXSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273449221 496808926 /nfs/dbraw/zinc/80/89/26/496808926.db2.gz FQLAIUGAPWJBMF-AWEZNQCLSA-N 1 0 356.426 3.263 20 10 FGCDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268881871 496812763 /nfs/dbraw/zinc/81/27/63/496812763.db2.gz BEWIAYVTIBCOLN-INIZCTEOSA-N 1 0 350.478 3.256 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000273583516 496846101 /nfs/dbraw/zinc/84/61/01/496846101.db2.gz NEBCPBXCTHHTJS-CYBMUJFWSA-N 1 0 350.459 3.451 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)cc1OC ZINC000191780056 496887033 /nfs/dbraw/zinc/88/70/33/496887033.db2.gz LCHVJLSWYVSJFP-VFNWGFHPSA-N 1 0 359.466 3.129 20 10 FGCDRO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2)ncn1 ZINC000248528844 497031406 /nfs/dbraw/zinc/03/14/06/497031406.db2.gz WIUWQDGQJCSOLC-ZBFHGGJFSA-N 1 0 356.470 3.073 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000278460729 497121621 /nfs/dbraw/zinc/12/16/21/497121621.db2.gz XRWFCXQGQZDTNR-ZDUSSCGKSA-N 1 0 360.445 3.385 20 10 FGCDRO Brc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000189504699 497141320 /nfs/dbraw/zinc/14/13/20/497141320.db2.gz XEKXDOUGGUFHRJ-UHFFFAOYSA-N 1 0 351.244 3.169 20 10 FGCDRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000275153228 497244726 /nfs/dbraw/zinc/24/47/26/497244726.db2.gz UHXMFJXJXAEFTK-INIZCTEOSA-N 1 0 369.431 3.177 20 10 FGCDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000275153231 497245523 /nfs/dbraw/zinc/24/55/23/497245523.db2.gz UHXMFJXJXAEFTK-MRXNPFEDSA-N 1 0 369.431 3.177 20 10 FGCDRO CCN(CC)c1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1F ZINC000190153600 497377304 /nfs/dbraw/zinc/37/73/04/497377304.db2.gz FZDZVVZJLXTWOP-CRAIPNDOSA-N 1 0 362.449 3.325 20 10 FGCDRO COc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000271775388 497445371 /nfs/dbraw/zinc/44/53/71/497445371.db2.gz GSKBZTDTWYWIIM-AWEZNQCLSA-N 1 0 361.873 3.431 20 10 FGCDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000271902797 497483962 /nfs/dbraw/zinc/48/39/62/497483962.db2.gz VZDJDEXCCNCCQD-HNAYVOBHSA-N 1 0 350.478 3.110 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000279781675 497539525 /nfs/dbraw/zinc/53/95/25/497539525.db2.gz LKLLGYMKAXHTML-AWEZNQCLSA-N 1 0 357.420 3.120 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194426338 497662527 /nfs/dbraw/zinc/66/25/27/497662527.db2.gz SZUWYYMPCDKVOL-GOSISDBHSA-N 1 0 353.466 3.056 20 10 FGCDRO CN(C)c1ccc(CN2CCC[C@H]2c2nncn2C)c(C(F)(F)F)c1 ZINC000280170552 497670820 /nfs/dbraw/zinc/67/08/20/497670820.db2.gz GTYVEWCFOFCGJM-HNNXBMFYSA-N 1 0 353.392 3.237 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)cc1OC ZINC000272960140 497771342 /nfs/dbraw/zinc/77/13/42/497771342.db2.gz ZOFQJRHKDXJYLT-UHFFFAOYSA-N 1 0 358.438 3.156 20 10 FGCDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000288553511 497829539 /nfs/dbraw/zinc/82/95/39/497829539.db2.gz XXEUJNKOQHNVNO-UHFFFAOYSA-N 1 0 371.437 3.013 20 10 FGCDRO C[C@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCc4cccc(O)c43)c2)CCO1 ZINC000296033787 497898972 /nfs/dbraw/zinc/89/89/72/497898972.db2.gz QGEJLMMWMFGWRH-OXJNMPFZSA-N 1 0 352.478 3.390 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000296060684 497906712 /nfs/dbraw/zinc/90/67/12/497906712.db2.gz ROSUGOGLJOLMTL-KUHUBIRLSA-N 1 0 366.461 3.388 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)c(Br)c1 ZINC000289184823 498051212 /nfs/dbraw/zinc/05/12/12/498051212.db2.gz AVPFUJHODLNYTN-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000289401041 498133797 /nfs/dbraw/zinc/13/37/97/498133797.db2.gz GOZWZUVAWIOTRE-LBPRGKRZSA-N 1 0 356.422 3.145 20 10 FGCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000285625567 498151687 /nfs/dbraw/zinc/15/16/87/498151687.db2.gz ZQZCTTARWPUOLD-UHFFFAOYSA-N 1 0 370.493 3.202 20 10 FGCDRO OCc1ccccc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000364892384 498194418 /nfs/dbraw/zinc/19/44/18/498194418.db2.gz FVPSOCCCAHVRRQ-UHFFFAOYSA-N 1 0 366.505 3.395 20 10 FGCDRO OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000289589249 498208326 /nfs/dbraw/zinc/20/83/26/498208326.db2.gz KJZVQRLGQQMHCP-CMPLNLGQSA-N 1 0 368.193 3.147 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc21 ZINC000296884972 498237436 /nfs/dbraw/zinc/23/74/36/498237436.db2.gz GIUGUFLFWQWMLO-YQQQUEKLSA-N 1 0 369.509 3.260 20 10 FGCDRO Cc1noc([C@H](NCc2c([O-])ccc(Cl)c2F)C2CCOCC2)n1 ZINC000365137896 498317799 /nfs/dbraw/zinc/31/77/99/498317799.db2.gz NZTQNFGLVDTZPC-OAHLLOKOSA-N 1 0 355.797 3.134 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)ccc21 ZINC000581614773 506028657 /nfs/dbraw/zinc/02/86/57/506028657.db2.gz GCBWIEGHHOJOHJ-VQTJNVASSA-N 1 0 369.509 3.022 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282409208 498501049 /nfs/dbraw/zinc/50/10/49/498501049.db2.gz AUBHDQCBNXNUNU-QGZVFWFLSA-N 1 0 355.438 3.187 20 10 FGCDRO OC[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)[C@@H]1CCOC1 ZINC000293979644 498551236 /nfs/dbraw/zinc/55/12/36/498551236.db2.gz BFVIBBONWFFMIT-SVFBPWRDSA-N 1 0 355.478 3.301 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(O)ccc3Cl)c2)CC1 ZINC000290648473 498631894 /nfs/dbraw/zinc/63/18/94/498631894.db2.gz FCICYXICWHSAHS-UHFFFAOYSA-N 1 0 359.857 3.440 20 10 FGCDRO CCCN(Cc1ccccc1O)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363231560 498716181 /nfs/dbraw/zinc/71/61/81/498716181.db2.gz XEXKQKSPQDDDKB-UHFFFAOYSA-N 1 0 370.497 3.127 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]c4nccnc34)C2)cc1 ZINC000290928064 498726416 /nfs/dbraw/zinc/72/64/16/498726416.db2.gz RMSNWACFGHDMID-AWEZNQCLSA-N 1 0 373.407 3.318 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1OC ZINC000295137138 498922860 /nfs/dbraw/zinc/92/28/60/498922860.db2.gz YXLDCPXYBBMZDT-OAHLLOKOSA-N 1 0 351.830 3.228 20 10 FGCDRO C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000368050601 499259461 /nfs/dbraw/zinc/25/94/61/499259461.db2.gz GORZYCPTYYNYIS-QFIPXVFZSA-N 1 0 370.585 3.136 20 10 FGCDRO Cc1n[nH]cc1C[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000368782107 499332138 /nfs/dbraw/zinc/33/21/38/499332138.db2.gz QCSYIAXRGVTHPI-UHFFFAOYSA-N 1 0 354.376 3.375 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(N(C)C)cc1 ZINC000369443260 499403847 /nfs/dbraw/zinc/40/38/47/499403847.db2.gz OFXVMEKFQXGRRA-QAPCUYQASA-N 1 0 369.513 3.328 20 10 FGCDRO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1O ZINC000372364231 499425154 /nfs/dbraw/zinc/42/51/54/499425154.db2.gz FQCSDIKALGKBAX-PHZGNYQRSA-N 1 0 362.470 3.421 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000373606695 499479467 /nfs/dbraw/zinc/47/94/67/499479467.db2.gz BOJBTFUBQLLXGT-CQSZACIVSA-N 1 0 355.438 3.208 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)c(O)c1C ZINC000376573723 499619744 /nfs/dbraw/zinc/61/97/44/499619744.db2.gz HUWPTLXXDAGSPM-QAPCUYQASA-N 1 0 354.450 3.300 20 10 FGCDRO Cc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c(C)n1-c1ccccn1 ZINC000377566820 499705119 /nfs/dbraw/zinc/70/51/19/499705119.db2.gz XTQCTYWOHZMUMF-ZDUSSCGKSA-N 1 0 367.478 3.014 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418103823 500229785 /nfs/dbraw/zinc/22/97/85/500229785.db2.gz WTVKYBCXOIUSEZ-SFHVURJKSA-N 1 0 354.498 3.160 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000428091890 500468043 /nfs/dbraw/zinc/46/80/43/500468043.db2.gz NJXGKQNXYURRAG-YPGOJHLTSA-N 1 0 351.494 3.323 20 10 FGCDRO COCCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC1 ZINC000435545727 500990575 /nfs/dbraw/zinc/99/05/75/500990575.db2.gz LSEBCCGBMKNNML-UHFFFAOYSA-N 1 0 369.509 3.045 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCO[C@@H](C)C2)C1 ZINC000435734631 501020559 /nfs/dbraw/zinc/02/05/59/501020559.db2.gz GOQNAAHNYYMLNQ-KRWDZBQOSA-N 1 0 369.509 3.045 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000472239630 502282254 /nfs/dbraw/zinc/28/22/54/502282254.db2.gz IKNODLHKWOWXSX-UHFFFAOYSA-N 1 0 354.498 3.257 20 10 FGCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(OC)c(C)cc1O ZINC000825318380 608545974 /nfs/dbraw/zinc/54/59/74/608545974.db2.gz MTZPLRMNVQMVTA-UHFFFAOYSA-N 1 0 367.453 3.302 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826268802 609145452 /nfs/dbraw/zinc/14/54/52/609145452.db2.gz OCYHAOPMPKIUBP-ZDUSSCGKSA-N 1 0 354.433 3.231 20 10 FGCDRO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571620 695619364 /nfs/dbraw/zinc/61/93/64/695619364.db2.gz BXYBOPHAIXGONG-AWEZNQCLSA-N 1 0 357.420 3.176 20 10 FGCDRO CCN(CC)C(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118522 700224431 /nfs/dbraw/zinc/22/44/31/700224431.db2.gz AGUUJYYNOWBHDY-GFCCVEGCSA-N 1 0 357.292 3.234 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1O ZINC000091964169 700429370 /nfs/dbraw/zinc/42/93/70/700429370.db2.gz DMXIPDNJAVXIAZ-AWEZNQCLSA-N 1 0 358.276 3.410 20 10 FGCDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000133045384 700834303 /nfs/dbraw/zinc/83/43/03/700834303.db2.gz NNWAPCRNVRLPQG-OAHLLOKOSA-N 1 0 362.905 3.492 20 10 FGCDRO COc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000159887213 705236896 /nfs/dbraw/zinc/23/68/96/705236896.db2.gz WFUMDPFUUYEONE-UHFFFAOYSA-N 1 0 350.459 3.198 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000246890312 713632279 /nfs/dbraw/zinc/63/22/79/713632279.db2.gz DTYVBZRYJADJRZ-BEVDRBHNSA-N 1 0 350.478 3.254 20 10 FGCDRO C[C@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247644212 713642575 /nfs/dbraw/zinc/64/25/75/713642575.db2.gz ORSZMKXGFWSNLK-ZIAGYGMSSA-N 1 0 356.561 3.045 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000310808000 713800965 /nfs/dbraw/zinc/80/09/65/713800965.db2.gz ARPLBBXALSALMO-HNNXBMFYSA-N 1 0 350.459 3.280 20 10 FGCDRO COCCN(CC[NH2+][C@H](C)c1ccc(C)cc1O)C(=O)OC(C)(C)C ZINC000385496625 713983895 /nfs/dbraw/zinc/98/38/95/713983895.db2.gz UZTCAQSGXXTTOO-OAHLLOKOSA-N 1 0 352.475 3.235 20 10 FGCDRO COc1cccc(O)c1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000779159639 724396818 /nfs/dbraw/zinc/39/68/18/724396818.db2.gz OKIIHMMBLIKROA-UHFFFAOYSA-N 1 0 355.360 3.453 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164849 724397377 /nfs/dbraw/zinc/39/73/77/724397377.db2.gz ZVTUAEIFJMNFJZ-UONOGXRCSA-N 1 0 350.459 3.136 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1(C(=O)OC)CCC1 ZINC000779341959 724408374 /nfs/dbraw/zinc/40/83/74/724408374.db2.gz PENPDZBSAQLSKZ-SFHVURJKSA-N 1 0 362.539 3.451 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1F ZINC000749926083 722748128 /nfs/dbraw/zinc/74/81/28/722748128.db2.gz IBXOGIUJWUQFKC-QGZVFWFLSA-N 1 0 361.848 3.440 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000774394272 723888538 /nfs/dbraw/zinc/88/85/38/723888538.db2.gz OXNLDUMGTGNDBG-HNNXBMFYSA-N 1 0 361.511 3.031 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000782547277 724681609 /nfs/dbraw/zinc/68/16/09/724681609.db2.gz PAGBEOFMDFCQGV-KBPBESRZSA-N 1 0 350.459 3.326 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000728945463 722455952 /nfs/dbraw/zinc/45/59/52/722455952.db2.gz USCKQLFYIOHUOR-WBMJQRKESA-N 1 0 363.483 3.125 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000753136979 722886682 /nfs/dbraw/zinc/88/66/82/722886682.db2.gz GIRFJNYZFRWUHM-RTBURBONSA-N 1 0 361.555 3.071 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000753733507 722910928 /nfs/dbraw/zinc/91/09/28/722910928.db2.gz VFFBROGWTVAISJ-RDJZCZTQSA-N 1 0 368.518 3.434 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000756342973 722963157 /nfs/dbraw/zinc/96/31/57/722963157.db2.gz MBCSYLHFQCHYIA-FUHWJXTLSA-N 1 0 359.539 3.401 20 10 FGCDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000756443710 722964711 /nfs/dbraw/zinc/96/47/11/722964711.db2.gz ICXFTTHBEYLWEE-ZDUSSCGKSA-N 1 0 366.458 3.069 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756455150 722964960 /nfs/dbraw/zinc/96/49/60/722964960.db2.gz HSEGQGWMXDQTPG-BBRMVZONSA-N 1 0 363.454 3.284 20 10 FGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)N1CCCC1 ZINC000756707050 722968838 /nfs/dbraw/zinc/96/88/38/722968838.db2.gz VQFUHIYZJHGKIK-LRDDRELGSA-N 1 0 369.303 3.452 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1O ZINC000758560496 722991710 /nfs/dbraw/zinc/99/17/10/722991710.db2.gz LUBXSDYQUMCCCX-ZDUSSCGKSA-N 1 0 364.239 3.126 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1O ZINC000761204898 723132872 /nfs/dbraw/zinc/13/28/72/723132872.db2.gz OVPNPDUWQMUPNO-AWEZNQCLSA-N 1 0 353.768 3.189 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000790965554 723200076 /nfs/dbraw/zinc/20/00/76/723200076.db2.gz PCFQTOHGVVVLCU-QGZVFWFLSA-N 1 0 361.873 3.203 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000792193140 723320265 /nfs/dbraw/zinc/32/02/65/723320265.db2.gz RAUMCDLNCPLKEZ-LBPRGKRZSA-N 1 0 371.811 3.273 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Br)ccc1O ZINC000793565156 723449326 /nfs/dbraw/zinc/44/93/26/723449326.db2.gz BZWNORPDEGPGQW-IVMMDQJWSA-N 1 0 374.319 3.353 20 10 FGCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308472 723632084 /nfs/dbraw/zinc/63/20/84/723632084.db2.gz CLLJDCBCGTWDSM-IERDGZPVSA-N 1 0 356.535 3.451 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000796529239 723641733 /nfs/dbraw/zinc/64/17/33/723641733.db2.gz MXXNFMIHECAOSC-CHWSQXEVSA-N 1 0 362.499 3.170 20 10 FGCDRO Clc1cnccc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768527186 723660399 /nfs/dbraw/zinc/66/03/99/723660399.db2.gz FJNRMPRLOSWICQ-UHFFFAOYSA-N 1 0 356.901 3.301 20 10 FGCDRO CC(C)SCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771065154 723727186 /nfs/dbraw/zinc/72/71/86/723727186.db2.gz LXYMNUPZZYYXNU-HNNXBMFYSA-N 1 0 356.919 3.268 20 10 FGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775143787 723963715 /nfs/dbraw/zinc/96/37/15/723963715.db2.gz BYYIVPYYAXCCMU-ZANVPECISA-N 1 0 368.193 3.290 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775146797 723964116 /nfs/dbraw/zinc/96/41/16/723964116.db2.gz IKBKIEXUFNKQIM-RISCZKNCSA-N 1 0 370.877 3.399 20 10 FGCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000775202936 723970804 /nfs/dbraw/zinc/97/08/04/723970804.db2.gz ZRHUSWNTQJUBJP-GOSISDBHSA-N 1 0 355.862 3.465 20 10 FGCDRO CCOc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c(O)c1 ZINC000775322777 723982010 /nfs/dbraw/zinc/98/20/10/723982010.db2.gz AUHGRTLMADQZKK-OAHLLOKOSA-N 1 0 363.479 3.051 20 10 FGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000775350516 723985200 /nfs/dbraw/zinc/98/52/00/723985200.db2.gz NJNWVTSIPCCUNJ-RYUDHWBXSA-N 1 0 371.275 3.111 20 10 FGCDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000775350518 723985205 /nfs/dbraw/zinc/98/52/05/723985205.db2.gz NJNWVTSIPCCUNJ-VXGBXAGGSA-N 1 0 371.275 3.111 20 10 FGCDRO CSc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000799182640 723995770 /nfs/dbraw/zinc/99/57/70/723995770.db2.gz KSSXPEOOAIITHF-HNNXBMFYSA-N 1 0 357.523 3.442 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1O ZINC000775527551 723998483 /nfs/dbraw/zinc/99/84/83/723998483.db2.gz RAPYHCFKXSJXJT-GJZGRUSLSA-N 1 0 362.861 3.015 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000799335082 724013128 /nfs/dbraw/zinc/01/31/28/724013128.db2.gz NJDSMHPYUKVUQT-LBPRGKRZSA-N 1 0 354.376 3.116 20 10 FGCDRO Cc1cccc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1O ZINC000775689838 724025484 /nfs/dbraw/zinc/02/54/84/724025484.db2.gz MWEBICDEQICBMZ-IBGZPJMESA-N 1 0 360.885 3.205 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c1O ZINC000776498816 724151476 /nfs/dbraw/zinc/15/14/76/724151476.db2.gz PZAJJPRMFOVWRH-DFKRKDTASA-N 1 0 358.276 3.312 20 10 FGCDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000800534539 724210155 /nfs/dbraw/zinc/21/01/55/724210155.db2.gz OKMJURCMVDOVDZ-IBGZPJMESA-N 1 0 359.491 3.458 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1C(C)C ZINC000777565085 724239761 /nfs/dbraw/zinc/23/97/61/724239761.db2.gz DEZTWYOHUPJBGO-CYBMUJFWSA-N 1 0 358.404 3.324 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000786827800 725002368 /nfs/dbraw/zinc/00/23/68/725002368.db2.gz NRXLHKLKOQJGGL-UHFFFAOYSA-N 1 0 352.525 3.288 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCCO1 ZINC000788618490 725076518 /nfs/dbraw/zinc/07/65/18/725076518.db2.gz GUSWCXQUDANNMU-JVPBZIDWSA-N 1 0 368.905 3.021 20 10 FGCDRO C[N@H+](CCn1cc(Br)cn1)Cc1c(O)ccc2ccncc21 ZINC000808242720 725189395 /nfs/dbraw/zinc/18/93/95/725189395.db2.gz JKSCXHZYJRPGTO-UHFFFAOYSA-N 1 0 361.243 3.031 20 10 FGCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639633 725254977 /nfs/dbraw/zinc/25/49/77/725254977.db2.gz MOGNNCPAKBKYID-SSOJOUAXSA-N 1 0 356.535 3.448 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000809713356 725261639 /nfs/dbraw/zinc/26/16/39/725261639.db2.gz NFQDGTRVBQJVQG-JQWIXIFHSA-N 1 0 354.166 3.354 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1O ZINC000809718358 725262192 /nfs/dbraw/zinc/26/21/92/725262192.db2.gz IVKYJAPHHKRWPJ-QHCPKHFHSA-N 1 0 353.871 3.223 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1O ZINC000809722905 725262595 /nfs/dbraw/zinc/26/25/95/725262595.db2.gz MOPITEJKLXVFDL-INIZCTEOSA-N 1 0 350.256 3.156 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1O ZINC000809783422 725268272 /nfs/dbraw/zinc/26/82/72/725268272.db2.gz CDLBSNKEZOTIIT-AWEZNQCLSA-N 1 0 362.857 3.454 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810225417 725298081 /nfs/dbraw/zinc/29/80/81/725298081.db2.gz CYHABFJPCJZQGY-GWCFXTLKSA-N 1 0 353.406 3.275 20 10 FGCDRO Cc1nnc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000810243169 725299226 /nfs/dbraw/zinc/29/92/26/725299226.db2.gz MGTNFHSQYDJEAS-GFCCVEGCSA-N 1 0 366.918 3.230 20 10 FGCDRO Oc1c(F)cc(Cl)cc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000812779032 726810210 /nfs/dbraw/zinc/81/02/10/726810210.db2.gz TYTQLRBYSXFQSO-MRXNPFEDSA-N 1 0 350.821 3.363 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000814170646 726944234 /nfs/dbraw/zinc/94/42/34/726944234.db2.gz BCMQDURSIQLLHY-GOSISDBHSA-N 1 0 352.544 3.322 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000814176955 726944939 /nfs/dbraw/zinc/94/49/39/726944939.db2.gz WEXLVDJXEQSAAU-CZUORRHYSA-N 1 0 350.434 3.363 20 10 FGCDRO C[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])(N2CCCCC2)CC1 ZINC000816553958 727175035 /nfs/dbraw/zinc/17/50/35/727175035.db2.gz LCPNELNEDFRDOI-UHFFFAOYSA-N 1 0 369.912 3.225 20 10 FGCDRO COc1cc(N2CC[NH+](Cc3ccsc3C)CC2)cc(OC)c1OC ZINC000816569365 727176776 /nfs/dbraw/zinc/17/67/76/727176776.db2.gz JDMZGSITKGZMIH-UHFFFAOYSA-N 1 0 362.495 3.405 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1F ZINC000816667349 727187608 /nfs/dbraw/zinc/18/76/08/727187608.db2.gz KRVVEDSYORAMAB-VQTJNVASSA-N 1 0 350.478 3.082 20 10 FGCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817931312 727288447 /nfs/dbraw/zinc/28/84/47/727288447.db2.gz QLHHPAOOTQHRJJ-SOLBZPMBSA-N 1 0 365.949 3.433 20 10 FGCDRO C[C@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)ccc1O ZINC000817939923 727288838 /nfs/dbraw/zinc/28/88/38/727288838.db2.gz IFPTVTFUENXRGR-ZDUSSCGKSA-N 1 0 364.287 3.380 20 10 FGCDRO CN1CCO[C@H]([C@@H]([NH2+]CCc2ccc(N)cc2)c2ccc(Cl)cc2)C1 ZINC000817958776 727289414 /nfs/dbraw/zinc/28/94/14/727289414.db2.gz YDQUYLNWMRLHOE-PMACEKPBSA-N 1 0 359.901 3.126 20 10 FGCDRO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982675 727290529 /nfs/dbraw/zinc/29/05/29/727290529.db2.gz VIMBEUAEENNHTG-IFXJQAMLSA-N 1 0 351.922 3.345 20 10 FGCDRO CC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1cc(Br)ccc1O ZINC000818346864 727308729 /nfs/dbraw/zinc/30/87/29/727308729.db2.gz VPPATHWYOCLUGJ-CYBMUJFWSA-N 1 0 353.264 3.315 20 10 FGCDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818349010 727308859 /nfs/dbraw/zinc/30/88/59/727308859.db2.gz JXBPTTJHEPJPTC-OAHLLOKOSA-N 1 0 356.507 3.291 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccccc1Cl ZINC000818953739 727329752 /nfs/dbraw/zinc/32/97/52/727329752.db2.gz MIGFYJLHMGWSNZ-GOSISDBHSA-N 1 0 360.885 3.470 20 10 FGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964339 727331761 /nfs/dbraw/zinc/33/17/61/727331761.db2.gz RYUIKLKYGKSNOG-DYESRHJHSA-N 1 0 356.535 3.494 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2F)C[C@@H](C)O1 ZINC000818966330 727331947 /nfs/dbraw/zinc/33/19/47/727331947.db2.gz IDQOQSGARDNDBF-HZPDHXFCSA-N 1 0 350.478 3.224 20 10 FGCDRO C[C@](O)(C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000819120101 727349771 /nfs/dbraw/zinc/34/97/71/727349771.db2.gz KRRTYWAEHGXWHO-NHYWBVRUSA-N 1 0 368.346 3.160 20 10 FGCDRO COc1cc(NC(=O)C[NH2+]Cc2cc(Cl)cc(C)c2O)cc(OC)c1 ZINC000822490617 729181228 /nfs/dbraw/zinc/18/12/28/729181228.db2.gz ZNKGLHHGDOTBJM-UHFFFAOYSA-N 1 0 364.829 3.100 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000822526323 729190841 /nfs/dbraw/zinc/19/08/41/729190841.db2.gz SNLSNLQSIFNEOT-SFHVURJKSA-N 1 0 369.889 3.102 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000824099199 729319510 /nfs/dbraw/zinc/31/95/10/729319510.db2.gz ROCGGPCAEZHPHT-MRXNPFEDSA-N 1 0 355.507 3.237 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(C(F)(F)F)cc1O ZINC000824565418 729347881 /nfs/dbraw/zinc/34/78/81/729347881.db2.gz UISVHVXZKQRTPG-ZBFHGGJFSA-N 1 0 360.420 3.299 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000824609061 729350661 /nfs/dbraw/zinc/35/06/61/729350661.db2.gz VXIAPGRKCGGIDL-UHFFFAOYSA-N 1 0 363.845 3.256 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H](O)C(F)F ZINC000824635548 729352092 /nfs/dbraw/zinc/35/20/92/729352092.db2.gz HQMYJZABFZZXNO-AEFFLSMTSA-N 1 0 351.393 3.465 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000824836205 729361110 /nfs/dbraw/zinc/36/11/10/729361110.db2.gz JRGZCVUAXGUBGQ-CYBMUJFWSA-N 1 0 362.817 3.344 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000824836207 729361215 /nfs/dbraw/zinc/36/12/15/729361215.db2.gz JRGZCVUAXGUBGQ-ZDUSSCGKSA-N 1 0 362.817 3.344 20 10 FGCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000824894807 729364032 /nfs/dbraw/zinc/36/40/32/729364032.db2.gz KFZVBBREKIXFEH-AWEZNQCLSA-N 1 0 353.304 3.318 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000825102210 729370834 /nfs/dbraw/zinc/37/08/34/729370834.db2.gz LCVBZYIMRPSURD-UHFFFAOYSA-N 1 0 362.271 3.440 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000825124761 729371934 /nfs/dbraw/zinc/37/19/34/729371934.db2.gz XPBUAUSQOVMTDY-LLVKDONJSA-N 1 0 366.811 3.370 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)N1CCCC[C@@H]1C ZINC000825191226 729374177 /nfs/dbraw/zinc/37/41/77/729374177.db2.gz ZGQILFNUCRSGTI-NWDGAFQWSA-N 1 0 355.276 3.034 20 10 FGCDRO CCc1cc(N2CCC([NH2+]Cc3cc(Cl)c(C)cc3O)CC2)ncn1 ZINC000825332022 729379018 /nfs/dbraw/zinc/37/90/18/729379018.db2.gz UVJXEGMOXQUFJW-UHFFFAOYSA-N 1 0 360.889 3.465 20 10 FGCDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825341641 729379382 /nfs/dbraw/zinc/37/93/82/729379382.db2.gz PHKNVPOWLKQSLA-OAHLLOKOSA-N 1 0 367.287 3.035 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](O)Cc1ccccc1 ZINC000825371296 729380746 /nfs/dbraw/zinc/38/07/46/729380746.db2.gz VSLHAXBRMIFLCD-MLGOLLRUSA-N 1 0 350.256 3.236 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1Cl ZINC000825384689 729381115 /nfs/dbraw/zinc/38/11/15/729381115.db2.gz HSMMBXFLJUNMFG-CYBMUJFWSA-N 1 0 357.841 3.242 20 10 FGCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1ccccc1 ZINC000825451562 729383830 /nfs/dbraw/zinc/38/38/30/729383830.db2.gz XEWWZEBQHGOJHB-QVKFZJNVSA-N 1 0 368.296 3.364 20 10 FGCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825885628 729398382 /nfs/dbraw/zinc/39/83/82/729398382.db2.gz IQPRTONTKRRKBV-CQSZACIVSA-N 1 0 351.752 3.281 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000825943336 729400280 /nfs/dbraw/zinc/40/02/80/729400280.db2.gz CIQYIZSQARZOTA-UHFFFAOYSA-N 1 0 362.271 3.440 20 10 FGCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000827329288 729428777 /nfs/dbraw/zinc/42/87/77/729428777.db2.gz XQGPXNYNQNACLK-BBRMVZONSA-N 1 0 364.287 3.389 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000827650382 729432863 /nfs/dbraw/zinc/43/28/63/729432863.db2.gz QBNJSEDJURURKM-UHFFFAOYSA-N 1 0 350.203 3.185 20 10 FGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000827733701 729433926 /nfs/dbraw/zinc/43/39/26/729433926.db2.gz LZGYHVSUMFOHER-PXAZEXFGSA-N 1 0 350.256 3.409 20 10 FGCDRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(N(C)C)cc2C)cc(Cl)n1 ZINC000829764496 729509794 /nfs/dbraw/zinc/50/97/94/729509794.db2.gz NAYXVXXAMADSRO-KRWDZBQOSA-N 1 0 360.889 3.124 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)cc2Cl)C1 ZINC000831079806 729615807 /nfs/dbraw/zinc/61/58/07/729615807.db2.gz PQUUAAOFDFHFMQ-AUUYWEPGSA-N 1 0 364.921 3.128 20 10 FGCDRO Cc1nc(CC(C)C)sc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281630 729701862 /nfs/dbraw/zinc/70/18/62/729701862.db2.gz VCPRYZLCJFKOSQ-MRXNPFEDSA-N 1 0 360.527 3.146 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cccc(Cl)c2Cl)cc1 ZINC000832283712 729702138 /nfs/dbraw/zinc/70/21/38/729702138.db2.gz ALSXUZCDROPERD-MRXNPFEDSA-N 1 0 366.292 3.418 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(c3cccc(Cl)c3)CC2)cc1 ZINC000832292711 729703055 /nfs/dbraw/zinc/70/30/55/729703055.db2.gz KJXIZPBNIJYCRS-GOSISDBHSA-N 1 0 357.885 3.254 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Br)ccc1O ZINC000834849641 729839031 /nfs/dbraw/zinc/83/90/31/729839031.db2.gz DMEXVTKSLZQGCM-ZBFHGGJFSA-N 1 0 371.319 3.042 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H](O)C(F)F ZINC000834875852 729840817 /nfs/dbraw/zinc/84/08/17/729840817.db2.gz UUHKJKRDWFGRCY-RLCCDNCMSA-N 1 0 362.848 3.232 20 10 FGCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000834880688 729841991 /nfs/dbraw/zinc/84/19/91/729841991.db2.gz NQURWOPEMMMJOP-YWPYICTPSA-N 1 0 358.276 3.165 20 10 FGCDRO CCOC(=O)c1csc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835049625 729853098 /nfs/dbraw/zinc/85/30/98/729853098.db2.gz HCIMMQCQMPDILP-WAYWQWQTSA-N 1 0 359.495 3.231 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1O ZINC000835060614 729854380 /nfs/dbraw/zinc/85/43/80/729854380.db2.gz SBLFWPRWUNCYCP-NSHDSACASA-N 1 0 358.276 3.458 20 10 FGCDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000835083126 729857728 /nfs/dbraw/zinc/85/77/28/729857728.db2.gz ZHYYBPHFFJYXOJ-CYBMUJFWSA-N 1 0 370.877 3.161 20 10 FGCDRO O=C(NCc1cccc(Br)c1O)C1C[NH+](C2CCCCC2)C1 ZINC000837583082 730044281 /nfs/dbraw/zinc/04/42/81/730044281.db2.gz WGPBDODAAOGQKI-UHFFFAOYSA-N 1 0 367.287 3.035 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C)n1 ZINC000840725626 730166388 /nfs/dbraw/zinc/16/63/88/730166388.db2.gz BSSNYIQXFLZAJE-KBPBESRZSA-N 1 0 350.413 3.341 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1O ZINC000840961137 730197931 /nfs/dbraw/zinc/19/79/31/730197931.db2.gz RBSQZYDJBUIGCD-HNNXBMFYSA-N 1 0 364.829 3.264 20 10 FGCDRO Nc1ccc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000841034558 730205018 /nfs/dbraw/zinc/20/50/18/730205018.db2.gz CKJQGVDKFRLJBC-UHFFFAOYSA-N 1 0 363.255 3.135 20 10 FGCDRO COc1cc(Br)cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841085974 730209257 /nfs/dbraw/zinc/20/92/57/730209257.db2.gz DTZZMDQVAOJZKH-WFASDCNBSA-N 1 0 369.303 3.127 20 10 FGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841743157 730269781 /nfs/dbraw/zinc/26/97/81/730269781.db2.gz DJKDBCUVKXFOSQ-DIFFPNOSSA-N 1 0 351.830 3.447 20 10 FGCDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751520 730270744 /nfs/dbraw/zinc/27/07/44/730270744.db2.gz HQENERMDLXIPMO-ZDUSSCGKSA-N 1 0 362.857 3.064 20 10 FGCDRO OC[C@H](CC1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841893952 730283501 /nfs/dbraw/zinc/28/35/01/730283501.db2.gz RNSNSVDUILYEAG-SFHVURJKSA-N 1 0 350.478 3.083 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)cc2Cl)C1 ZINC000841896585 730283905 /nfs/dbraw/zinc/28/39/05/730283905.db2.gz LTMQXSOUACETFA-SUMWQHHRSA-N 1 0 364.921 3.113 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NC3CC[NH2+]CC3)cc2Cl)C1 ZINC000841897172 730284168 /nfs/dbraw/zinc/28/41/68/730284168.db2.gz QQNLAWQOIGVMCI-AWEZNQCLSA-N 1 0 364.921 3.128 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@H]2c2ccccc2OC)c1O ZINC000843112088 730587010 /nfs/dbraw/zinc/58/70/10/730587010.db2.gz DEXNOWCQFSCFOW-INIZCTEOSA-N 1 0 362.857 3.209 20 10 FGCDRO CN(Cc1ccc(Cl)s1)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350180 730609550 /nfs/dbraw/zinc/60/95/50/730609550.db2.gz OHSACRVDLUSHQV-UHFFFAOYSA-N 1 0 363.914 3.271 20 10 FGCDRO C[C@@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)c1ccc(Cl)cc1 ZINC000843350236 730609609 /nfs/dbraw/zinc/60/96/09/730609609.db2.gz QLTFKXSHMJNRAL-CQSZACIVSA-N 1 0 357.885 3.429 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000843487317 730624110 /nfs/dbraw/zinc/62/41/10/730624110.db2.gz OIHMMCIDJYGCTR-RYUDHWBXSA-N 1 0 364.287 3.322 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@](O)(c3ccc(Cl)cc3)C1)OCO2 ZINC000846009559 730918101 /nfs/dbraw/zinc/91/81/01/730918101.db2.gz CWHLFPKNYQCCBI-LJQANCHMSA-N 1 0 361.825 3.258 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000846143354 730931806 /nfs/dbraw/zinc/93/18/06/730931806.db2.gz DZRANFUKYNJSPH-ZDUSSCGKSA-N 1 0 350.459 3.451 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846674077 730972298 /nfs/dbraw/zinc/97/22/98/730972298.db2.gz ZDOQHBIYHSRZRX-GJZGRUSLSA-N 1 0 367.287 3.034 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000848525992 731175230 /nfs/dbraw/zinc/17/52/30/731175230.db2.gz SSQYXPYXPAFFHW-ZJUUUORDSA-N 1 0 373.291 3.117 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)c1O ZINC000848533653 731176829 /nfs/dbraw/zinc/17/68/29/731176829.db2.gz TUQUJTYKZNFQDP-GVXVVHGQSA-N 1 0 374.275 3.008 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000848533158 731176871 /nfs/dbraw/zinc/17/68/71/731176871.db2.gz OKKYYOAZYBEKNI-CABZTGNLSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CCCC2)c1O ZINC000848545230 731179132 /nfs/dbraw/zinc/17/91/32/731179132.db2.gz CBSXOJWZXASXGE-LLVKDONJSA-N 1 0 358.276 3.367 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000848554177 731181117 /nfs/dbraw/zinc/18/11/17/731181117.db2.gz QSUDFQUFJMGFOJ-QWRGUYRKSA-N 1 0 368.275 3.179 20 10 FGCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000850384972 731350556 /nfs/dbraw/zinc/35/05/56/731350556.db2.gz VSUQINUJAWWUDF-XJKSGUPXSA-N 1 0 364.287 3.389 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1[O-] ZINC000853093962 731664146 /nfs/dbraw/zinc/66/41/46/731664146.db2.gz VHAWSDJWJXUGPV-ZDUSSCGKSA-N 1 0 353.850 3.165 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000858086599 732178880 /nfs/dbraw/zinc/17/88/80/732178880.db2.gz CHADZMYRXXXQHX-NSHDSACASA-N 1 0 350.212 3.084 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000858095297 732180014 /nfs/dbraw/zinc/18/00/14/732180014.db2.gz RUUYPKKEXUMCKG-UHFFFAOYSA-N 1 0 362.271 3.440 20 10 FGCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858191947 732190914 /nfs/dbraw/zinc/19/09/14/732190914.db2.gz FRKABGARJSPBAV-XJKSGUPXSA-N 1 0 364.287 3.389 20 10 FGCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCS1(=O)=O ZINC000858280795 732200086 /nfs/dbraw/zinc/20/00/86/732200086.db2.gz DOKKPFNFLKHQAD-RDTXWAMCSA-N 1 0 364.536 3.050 20 10 FGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000858470638 732218154 /nfs/dbraw/zinc/21/81/54/732218154.db2.gz KBRUTMDSJNOYCG-JOYOIKCWSA-N 1 0 370.243 3.076 20 10 FGCDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858472963 732218309 /nfs/dbraw/zinc/21/83/09/732218309.db2.gz MCLGVFBYBCXCPD-ZFWWWQNUSA-N 1 0 364.873 3.089 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cc(Br)ccc1O ZINC000858475499 732218731 /nfs/dbraw/zinc/21/87/31/732218731.db2.gz ZUVJLQIGQFNFQM-JSGCOSHPSA-N 1 0 354.244 3.457 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1 ZINC000858483578 732219605 /nfs/dbraw/zinc/21/96/05/732219605.db2.gz SVXIIQTXGPWZIL-CYBMUJFWSA-N 1 0 359.413 3.008 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602525 732230627 /nfs/dbraw/zinc/23/06/27/732230627.db2.gz AWBMREGVISKLCS-IAQYHMDHSA-N 1 0 367.287 3.267 20 10 FGCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000862365214 732816516 /nfs/dbraw/zinc/81/65/16/732816516.db2.gz MQRULKYBQTXRGB-CYBMUJFWSA-N 1 0 368.193 3.434 20 10 FGCDRO C[N@H+](Cc1c(O)cccc1Br)C[C@](C)(O)c1ccccc1 ZINC000862397188 732824717 /nfs/dbraw/zinc/82/47/17/732824717.db2.gz CRSOTIMJFMJZDK-KRWDZBQOSA-N 1 0 350.256 3.494 20 10 FGCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000862469117 732839187 /nfs/dbraw/zinc/83/91/87/732839187.db2.gz ZBEKHMOUIVQBLM-UHFFFAOYSA-N 1 0 358.866 3.401 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2Cl)C1 ZINC000863554852 732976640 /nfs/dbraw/zinc/97/66/40/732976640.db2.gz JMGXQAMNEXCEKU-SJLPKXTDSA-N 1 0 365.949 3.123 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000866535500 733362644 /nfs/dbraw/zinc/36/26/44/733362644.db2.gz DZQKHDLOIIKFLV-KBPBESRZSA-N 1 0 363.479 3.259 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000876507063 736108729 /nfs/dbraw/zinc/10/87/29/736108729.db2.gz UXDDBAZZBXRBME-PMPSAXMXSA-N 1 0 357.420 3.237 20 10 FGCDRO Cc1cccc(O)c1C[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000877506875 736674155 /nfs/dbraw/zinc/67/41/55/736674155.db2.gz GMGBMOMSIGYULS-UHFFFAOYSA-N 1 0 373.396 3.413 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)cc1OC ZINC000877715767 736709344 /nfs/dbraw/zinc/70/93/44/736709344.db2.gz IRTNGAOHROALRQ-IBGZPJMESA-N 1 0 365.857 3.146 20 10 FGCDRO CC(=O)c1csc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891251871 739886376 /nfs/dbraw/zinc/88/63/76/739886376.db2.gz HTNYGGJIDOCTLB-KRWDZBQOSA-N 1 0 359.495 3.049 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)COc2ccc(F)cc2F)c(O)c1OC ZINC000892673432 740029873 /nfs/dbraw/zinc/02/98/73/740029873.db2.gz KEXJGHVIXZJUTR-LLVKDONJSA-N 1 0 353.365 3.245 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)c1 ZINC000894503226 742292692 /nfs/dbraw/zinc/29/26/92/742292692.db2.gz ZRTDBJMFTKQZJF-IYXRBSQSSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1O ZINC000894686224 742318380 /nfs/dbraw/zinc/31/83/80/742318380.db2.gz GGJRNMURGZUXHB-OAHLLOKOSA-N 1 0 366.255 3.295 20 10 FGCDRO COc1cc(C)cc(C[NH2+]Cc2cc(Br)ccc2O)c1O ZINC000894755532 742328121 /nfs/dbraw/zinc/32/81/21/742328121.db2.gz SIPMRUUATZFCOE-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000895535934 742424111 /nfs/dbraw/zinc/42/41/11/742424111.db2.gz FLQJAEYYQPBDGO-HNNXBMFYSA-N 1 0 355.862 3.120 20 10 FGCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836685 742459729 /nfs/dbraw/zinc/45/97/29/742459729.db2.gz DUDGKZQEIKTMFU-GFCCVEGCSA-N 1 0 372.156 3.041 20 10 FGCDRO OCCOC1(C[NH2+]Cc2cc(Cl)ccc2O)CCC(C(F)F)CC1 ZINC000897539474 742687031 /nfs/dbraw/zinc/68/70/31/742687031.db2.gz DKTJSNCPWHYPLU-UHFFFAOYSA-N 1 0 363.832 3.338 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC000898166482 742751793 /nfs/dbraw/zinc/75/17/93/742751793.db2.gz FTWAPBZRTNFCLF-UONOGXRCSA-N 1 0 351.443 3.009 20 10 FGCDRO CN(C)c1cc[nH+]c(CNC(=S)Nc2ccc(OC(F)F)cc2)c1 ZINC000905618332 744037360 /nfs/dbraw/zinc/03/73/60/744037360.db2.gz WLWXRIGLOMGXSH-UHFFFAOYSA-N 1 0 352.410 3.236 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)CO ZINC000924706123 759373769 /nfs/dbraw/zinc/37/37/69/759373769.db2.gz OJHSODHRHOBTFM-ZDUSSCGKSA-N 1 0 360.420 3.039 20 10 FGCDRO C[C@H](c1cccc(C(F)(F)F)c1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925750000 759530285 /nfs/dbraw/zinc/53/02/85/759530285.db2.gz BZYWPSJDLUQVGQ-SECBINFHSA-N 1 0 357.401 3.446 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000926911698 759845864 /nfs/dbraw/zinc/84/58/64/759845864.db2.gz UICAKKWDACIMIW-INIZCTEOSA-N 1 0 360.523 3.440 20 10 FGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(Br)cc1O ZINC000927059578 759883510 /nfs/dbraw/zinc/88/35/10/759883510.db2.gz DMAAQCYQKMDACU-LHAJWOIZSA-N 1 0 356.260 3.488 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCSCC1 ZINC000779014980 724381145 /nfs/dbraw/zinc/38/11/45/724381145.db2.gz ZHVYVKJJGUCWJY-MAUKXSAKSA-N 1 0 361.555 3.010 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000779038099 724383670 /nfs/dbraw/zinc/38/36/70/724383670.db2.gz IPCXABCUMWQKFI-SCZZXKLOSA-N 1 0 356.182 3.427 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1OC ZINC000008493728 494093356 /nfs/dbraw/zinc/09/33/56/494093356.db2.gz CGECBIFRIDWOOE-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089513460 494318722 /nfs/dbraw/zinc/31/87/22/494318722.db2.gz UJEKYOPHLKQHHI-AWEZNQCLSA-N 1 0 359.401 3.421 20 10 FGCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1O ZINC000092534701 494660912 /nfs/dbraw/zinc/66/09/12/494660912.db2.gz QJUXMWFXTCTLAL-UHFFFAOYSA-N 1 0 368.477 3.068 20 10 FGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092661175 494700699 /nfs/dbraw/zinc/70/06/99/494700699.db2.gz XIZMLPKQQVQHAT-INIZCTEOSA-N 1 0 370.287 3.315 20 10 FGCDRO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958271 494735076 /nfs/dbraw/zinc/73/50/76/494735076.db2.gz UPJGRWATDWYCHT-PMACEKPBSA-N 1 0 356.466 3.204 20 10 FGCDRO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccccc1O ZINC000109772891 494916697 /nfs/dbraw/zinc/91/66/97/494916697.db2.gz SFASSFLKFZLYHR-GFCCVEGCSA-N 1 0 350.365 3.453 20 10 FGCDRO COc1ccc([C@@H](CCO)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000120318099 495351181 /nfs/dbraw/zinc/35/11/81/495351181.db2.gz FFARPPPRSGPANB-JOCHJYFZSA-N 1 0 370.493 3.386 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000105320242 495356142 /nfs/dbraw/zinc/35/61/42/495356142.db2.gz PFVRUVJGXZYGDL-GOSISDBHSA-N 1 0 352.482 3.190 20 10 FGCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)c2ccc(F)cc2C1 ZINC000185365687 495549126 /nfs/dbraw/zinc/54/91/26/495549126.db2.gz IXEGCPAAINVTNS-OAQYLSRUSA-N 1 0 367.468 3.401 20 10 FGCDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1F ZINC000179557306 495640898 /nfs/dbraw/zinc/64/08/98/495640898.db2.gz GUUQOHYLWAIGJA-UHFFFAOYSA-N 1 0 356.441 3.368 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1[O-] ZINC000185651508 495662983 /nfs/dbraw/zinc/66/29/83/495662983.db2.gz UPVADUDHUNZEQW-HNNXBMFYSA-N 1 0 358.457 3.339 20 10 FGCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000179752975 495718483 /nfs/dbraw/zinc/71/84/83/495718483.db2.gz UAVCEUVLKKBLRF-UHFFFAOYSA-N 1 0 369.509 3.013 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000185874438 495759273 /nfs/dbraw/zinc/75/92/73/495759273.db2.gz YWFVLQAMIJWJCE-KSSFIOAISA-N 1 0 374.481 3.372 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000151234624 495780630 /nfs/dbraw/zinc/78/06/30/495780630.db2.gz FIJCMYUKBCSUMH-QGZVFWFLSA-N 1 0 354.498 3.225 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151341205 495808832 /nfs/dbraw/zinc/80/88/32/495808832.db2.gz CYFAHGWPLMZXDP-ZFWWWQNUSA-N 1 0 358.301 3.299 20 10 FGCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000186128254 495865554 /nfs/dbraw/zinc/86/55/54/495865554.db2.gz AOKGNHNQVFZDMP-HNNXBMFYSA-N 1 0 356.466 3.224 20 10 FGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(C)n1 ZINC000151571702 495882300 /nfs/dbraw/zinc/88/23/00/495882300.db2.gz HQXIBCNDLNITMZ-HNNXBMFYSA-N 1 0 354.498 3.153 20 10 FGCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000160333897 495939115 /nfs/dbraw/zinc/93/91/15/495939115.db2.gz JVPNXNGBVBXPDF-YOEHRIQHSA-N 1 0 357.477 3.382 20 10 FGCDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183474052 495999414 /nfs/dbraw/zinc/99/94/14/495999414.db2.gz URHQXEGTQGDQCR-MRXNPFEDSA-N 1 0 368.477 3.285 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161578653 496201012 /nfs/dbraw/zinc/20/10/12/496201012.db2.gz YGZLSFSIVRXMRZ-QFBILLFUSA-N 1 0 358.457 3.089 20 10 FGCDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181024545 496245352 /nfs/dbraw/zinc/24/53/52/496245352.db2.gz VRXRJHMJVHPQOF-ZRDIBKRKSA-N 1 0 354.450 3.221 20 10 FGCDRO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000152756250 496247613 /nfs/dbraw/zinc/24/76/13/496247613.db2.gz XFDCSFYFTFVQHP-MRXNPFEDSA-N 1 0 372.488 3.088 20 10 FGCDRO C[NH+](C)CCCOc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181069356 496259322 /nfs/dbraw/zinc/25/93/22/496259322.db2.gz WFKAFZSFKXZPJX-CSKARUKUSA-N 1 0 356.422 3.080 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cncs3)CC2)cc1 ZINC000162803210 496414360 /nfs/dbraw/zinc/41/43/60/496414360.db2.gz SZYRKBIQVAHPTO-INIZCTEOSA-N 1 0 360.527 3.015 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000187371105 496414764 /nfs/dbraw/zinc/41/47/64/496414764.db2.gz ROAROXWGGVPZFE-MFKMUULPSA-N 1 0 350.260 3.394 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000153349660 496427425 /nfs/dbraw/zinc/42/74/25/496427425.db2.gz RHYQJEHCFOSTFR-UHFFFAOYSA-N 1 0 372.440 3.324 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000184684742 496492146 /nfs/dbraw/zinc/49/21/46/496492146.db2.gz OEVGLPFXUTYGJI-INIZCTEOSA-N 1 0 355.862 3.214 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CN1C1CC1 ZINC000157745972 496544369 /nfs/dbraw/zinc/54/43/69/496544369.db2.gz YXMWRPBZQBRSJV-ZBFHGGJFSA-N 1 0 365.468 3.472 20 10 FGCDRO CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000185273573 496722188 /nfs/dbraw/zinc/72/21/88/496722188.db2.gz CUBLRXCQXVIZIK-FQEVSTJZSA-N 1 0 372.488 3.364 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273391226 496792314 /nfs/dbraw/zinc/79/23/14/496792314.db2.gz KUZHPDCVWPWAOV-HUUCEWRRSA-N 1 0 362.495 3.329 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273585204 496847009 /nfs/dbraw/zinc/84/70/09/496847009.db2.gz NQATVXZZVYJDHG-STQMWFEESA-N 1 0 366.458 3.193 20 10 FGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000273604837 496852018 /nfs/dbraw/zinc/85/20/18/496852018.db2.gz SYXBGKOUWWGRCJ-OAHLLOKOSA-N 1 0 371.456 3.051 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)n1-c1ccccn1 ZINC000264559610 496929433 /nfs/dbraw/zinc/92/94/33/496929433.db2.gz FJTGEMWKOGKDML-SFHVURJKSA-N 1 0 352.482 3.190 20 10 FGCDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)CC1 ZINC000270139560 497065075 /nfs/dbraw/zinc/06/50/75/497065075.db2.gz QQIXZVCINRBVPM-FQEVSTJZSA-N 1 0 370.541 3.160 20 10 FGCDRO [NH3+]CCCCCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237995928 497325372 /nfs/dbraw/zinc/32/53/72/497325372.db2.gz PQKVVMLNHQLKDO-OAHLLOKOSA-N 1 0 369.456 3.282 20 10 FGCDRO COc1cc(O)c(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000271766491 497442744 /nfs/dbraw/zinc/44/27/44/497442744.db2.gz ALTIHJPOAPXVPN-UHFFFAOYSA-N 1 0 365.470 3.400 20 10 FGCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000190435877 497478808 /nfs/dbraw/zinc/47/88/08/497478808.db2.gz JPHMCXPZKNUIEC-YOEHRIQHSA-N 1 0 365.861 3.281 20 10 FGCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C ZINC000194256219 497615774 /nfs/dbraw/zinc/61/57/74/497615774.db2.gz VHQNWOQHTGGRQJ-UHFFFAOYSA-N 1 0 358.457 3.394 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000263643184 497804553 /nfs/dbraw/zinc/80/45/53/497804553.db2.gz ALWXPXXJYKJJEZ-UHFFFAOYSA-N 1 0 362.271 3.440 20 10 FGCDRO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280634951 497835466 /nfs/dbraw/zinc/83/54/66/497835466.db2.gz RKCXVYJHJHVFIV-AWEZNQCLSA-N 1 0 357.420 3.120 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(OCCOC)CCOCC2)cc1 ZINC000296297761 497989986 /nfs/dbraw/zinc/98/99/86/497989986.db2.gz FTKMDVANXOKKGA-QGZVFWFLSA-N 1 0 350.503 3.006 20 10 FGCDRO CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)ccc1O ZINC000281082368 498013473 /nfs/dbraw/zinc/01/34/73/498013473.db2.gz PGXZCNVQTJBJBE-RBZFPXEDSA-N 1 0 360.317 3.497 20 10 FGCDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000364938631 498219069 /nfs/dbraw/zinc/21/90/69/498219069.db2.gz JRUAFCFIPPGLLJ-ZJBJCVSYSA-N 1 0 352.478 3.395 20 10 FGCDRO Oc1cc2c(cc1C[NH2+][C@@H]1c3ccccc3CC13CCOCC3)OCO2 ZINC000289807884 498301286 /nfs/dbraw/zinc/30/12/86/498301286.db2.gz MTHHRYOQJGITDA-HXUWFJFHSA-N 1 0 353.418 3.305 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1O ZINC000293210804 498308460 /nfs/dbraw/zinc/30/84/60/498308460.db2.gz YGMVNTBDFIQWQX-KSSFIOAISA-N 1 0 372.440 3.382 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000286281778 498349785 /nfs/dbraw/zinc/34/97/85/498349785.db2.gz VTLDOWYBATXSHC-LJQANCHMSA-N 1 0 373.472 3.064 20 10 FGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1O ZINC000290000833 498389359 /nfs/dbraw/zinc/38/93/59/498389359.db2.gz YXOFSYOGKKUACB-AWEZNQCLSA-N 1 0 374.456 3.352 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297305054 498398573 /nfs/dbraw/zinc/39/85/73/498398573.db2.gz ALLRQIFQDWGCNF-CTXDPNEZSA-N 1 0 358.530 3.298 20 10 FGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000282399477 498494472 /nfs/dbraw/zinc/49/44/72/498494472.db2.gz POOBEHMYBURWMD-KRWDZBQOSA-N 1 0 354.233 3.459 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000282441008 498513711 /nfs/dbraw/zinc/51/37/11/498513711.db2.gz NATUOEHDPPJIKY-KSSFIOAISA-N 1 0 358.461 3.124 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000282441000 498513807 /nfs/dbraw/zinc/51/38/07/498513807.db2.gz NATUOEHDPPJIKY-KDOFPFPSSA-N 1 0 358.461 3.124 20 10 FGCDRO CCOC(=O)[C@@H](F)C1CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000293987646 498553936 /nfs/dbraw/zinc/55/39/36/498553936.db2.gz RTQMWLPPABHSCQ-FQEVSTJZSA-N 1 0 373.424 3.304 20 10 FGCDRO C[C@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000363863900 499029233 /nfs/dbraw/zinc/02/92/33/499029233.db2.gz KRSXYIKSJLDNCR-GRTSSRMGSA-N 1 0 372.918 3.043 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000366699450 499037768 /nfs/dbraw/zinc/03/77/68/499037768.db2.gz VPSXCPQCXCESSQ-HXOBKFHXSA-N 1 0 365.521 3.485 20 10 FGCDRO COC1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)[C@H]3C)cc2)CC1 ZINC000295724566 499089184 /nfs/dbraw/zinc/08/91/84/499089184.db2.gz HIICHLHZOWCJPF-GCJKJVERSA-N 1 0 357.542 3.360 20 10 FGCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372854518 499184435 /nfs/dbraw/zinc/18/44/35/499184435.db2.gz DSDLZPMJRHAVQB-LAUBAEHRSA-N 1 0 353.510 3.003 20 10 FGCDRO CCN1CCC[C@@H](C[N@H+](C)Cc2cc(OC)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000370304968 499207586 /nfs/dbraw/zinc/20/75/86/499207586.db2.gz DQBILBUFVKTNQW-HRAATJIYSA-N 1 0 372.513 3.039 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000367547718 499211037 /nfs/dbraw/zinc/21/10/37/499211037.db2.gz ZWIJQDJUDFAHQG-HNAYVOBHSA-N 1 0 360.479 3.304 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000367896792 499242876 /nfs/dbraw/zinc/24/28/76/499242876.db2.gz PDQOCXWQBDAFBG-SUMWQHHRSA-N 1 0 373.884 3.464 20 10 FGCDRO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370711143 499246847 /nfs/dbraw/zinc/24/68/47/499246847.db2.gz ODZNJYSNHBSSAA-GUYCJALGSA-N 1 0 372.340 3.157 20 10 FGCDRO Cc1cccc(C[NH+]2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC000368041369 499258694 /nfs/dbraw/zinc/25/86/94/499258694.db2.gz KSNBXODFYKDHMU-SOFGYWHQSA-N 1 0 366.461 3.200 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000368042158 499258921 /nfs/dbraw/zinc/25/89/21/499258921.db2.gz MMWHXOONYCXNCT-UHFFFAOYSA-N 1 0 373.526 3.235 20 10 FGCDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000368136429 499268289 /nfs/dbraw/zinc/26/82/89/499268289.db2.gz VCFOKRQQYNSOPN-MRXNPFEDSA-N 1 0 358.276 3.148 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1cc(F)ccc1O ZINC000368333830 499286193 /nfs/dbraw/zinc/28/61/93/499286193.db2.gz SBHOBPUGRQDEBR-CYBMUJFWSA-N 1 0 358.413 3.192 20 10 FGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000371677220 499354062 /nfs/dbraw/zinc/35/40/62/499354062.db2.gz RTSJNHYQFIRDHU-KRWDZBQOSA-N 1 0 352.413 3.203 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1OC ZINC000371811388 499367860 /nfs/dbraw/zinc/36/78/60/499367860.db2.gz VMZCGSYPKZPYAR-FQEVSTJZSA-N 1 0 353.422 3.022 20 10 FGCDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc2ccccc2c1O ZINC000371835111 499370197 /nfs/dbraw/zinc/37/01/97/499370197.db2.gz QEUBSMXXABUXNN-VGOFRKELSA-N 1 0 370.493 3.077 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(N(C)C)cc1 ZINC000369443261 499403829 /nfs/dbraw/zinc/40/38/29/499403829.db2.gz OFXVMEKFQXGRRA-YJBOKZPZSA-N 1 0 369.513 3.328 20 10 FGCDRO CC[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccccc1O ZINC000372337638 499422292 /nfs/dbraw/zinc/42/22/92/499422292.db2.gz NRWBSHCOGSVUHI-YPMHNXCESA-N 1 0 354.376 3.349 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000375305754 499505115 /nfs/dbraw/zinc/50/51/15/499505115.db2.gz JBRQSMQIXHWERI-CVEARBPZSA-N 1 0 360.498 3.432 20 10 FGCDRO CCn1cnnc1[C@H]1C[N@@H+]([C@@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752583 499551641 /nfs/dbraw/zinc/55/16/41/499551641.db2.gz BOSWSCVDHPFPTK-IFXJQAMLSA-N 1 0 356.470 3.017 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCCCC2)cc1 ZINC000375853721 499562369 /nfs/dbraw/zinc/56/23/69/499562369.db2.gz ZQNNIRHRGUTLOJ-HKUYNNGSSA-N 1 0 353.514 3.340 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1[O-] ZINC000375852652 499562417 /nfs/dbraw/zinc/56/24/17/499562417.db2.gz ODUFGFLNCBEQMA-RDJZCZTQSA-N 1 0 374.460 3.497 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccccc1O ZINC000376320982 499600258 /nfs/dbraw/zinc/60/02/58/499600258.db2.gz KSJSPIXFUBMVRS-CRAIPNDOSA-N 1 0 353.466 3.201 20 10 FGCDRO COCC[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000412491898 499858004 /nfs/dbraw/zinc/85/80/04/499858004.db2.gz XETGHQUUOCKHOH-KRWDZBQOSA-N 1 0 371.525 3.197 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CS[C@H](C)C2)C1 ZINC000412614892 499869079 /nfs/dbraw/zinc/86/90/79/499869079.db2.gz QVQVXQLFZXFYAT-HZPDHXFCSA-N 1 0 371.550 3.418 20 10 FGCDRO CCOc1ccc(N(CC2CC2)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1 ZINC000602580225 506222811 /nfs/dbraw/zinc/22/28/11/506222811.db2.gz WWIHPRHZYDFXMV-INIZCTEOSA-N 1 0 368.481 3.175 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000435614511 501002587 /nfs/dbraw/zinc/00/25/87/501002587.db2.gz FDTCPSBJENHOTJ-IAGOWNOFSA-N 1 0 369.509 3.044 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000471733900 502122623 /nfs/dbraw/zinc/12/26/23/502122623.db2.gz DCXJKWDSMRRGAF-JKSUJKDBSA-N 1 0 356.514 3.406 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000490427444 503172297 /nfs/dbraw/zinc/17/22/97/503172297.db2.gz ABZOMVGNUAYZHU-QGZVFWFLSA-N 1 0 369.509 3.119 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCC[C@H]3CCC[NH2+]3)ccc21 ZINC000517753762 503826601 /nfs/dbraw/zinc/82/66/01/503826601.db2.gz YSVQMFQKFMIHJE-GOSISDBHSA-N 1 0 357.498 3.167 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000518428231 503981985 /nfs/dbraw/zinc/98/19/85/503981985.db2.gz OPOOTOXPRRVOAV-IBGZPJMESA-N 1 0 369.509 3.213 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)ccc21 ZINC000520716984 504563776 /nfs/dbraw/zinc/56/37/76/504563776.db2.gz NANWTPAYBYISGT-GOSISDBHSA-N 1 0 357.498 3.071 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H](F)C2)C1 ZINC000557953269 505271151 /nfs/dbraw/zinc/27/11/51/505271151.db2.gz YUCFWEFMYMCRCW-CVEARBPZSA-N 1 0 357.473 3.415 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000825415547 608506122 /nfs/dbraw/zinc/50/61/22/608506122.db2.gz CGBGOCWLPNLNLN-UHFFFAOYSA-N 1 0 356.499 3.406 20 10 FGCDRO COc1cccc(O)c1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000826217538 608568775 /nfs/dbraw/zinc/56/87/75/608568775.db2.gz RABBSOKBGYPYTI-UHFFFAOYSA-N 1 0 367.453 3.239 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000092754448 700441114 /nfs/dbraw/zinc/44/11/14/700441114.db2.gz QOVJAMAXTAHLBO-UHFFFAOYSA-N 1 0 350.459 3.091 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1 ZINC000113328604 700570768 /nfs/dbraw/zinc/57/07/68/700570768.db2.gz CWZOMRCLJZFPQR-UHFFFAOYSA-N 1 0 350.212 3.482 20 10 FGCDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000121386421 700671360 /nfs/dbraw/zinc/67/13/60/700671360.db2.gz XEEMPKUVMXCLJS-UHFFFAOYSA-N 1 0 364.287 3.196 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122729303 700694958 /nfs/dbraw/zinc/69/49/58/700694958.db2.gz GIKMGIUAOXBFGV-AWEZNQCLSA-N 1 0 364.486 3.454 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1O ZINC000125222328 700732728 /nfs/dbraw/zinc/73/27/28/700732728.db2.gz OYPJPQFTUBKBCZ-YJBOKZPZSA-N 1 0 360.841 3.116 20 10 FGCDRO Cc1nc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cs1 ZINC000125498388 700736467 /nfs/dbraw/zinc/73/64/67/700736467.db2.gz AJUISEYDFKKNGS-UHFFFAOYSA-N 1 0 356.539 3.273 20 10 FGCDRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125490889 700736571 /nfs/dbraw/zinc/73/65/71/700736571.db2.gz NTTHCFBUQCYYIW-UZLBHIALSA-N 1 0 350.478 3.256 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134542529 704824502 /nfs/dbraw/zinc/82/45/02/704824502.db2.gz PHTGBFFWSSIEQU-INIZCTEOSA-N 1 0 355.276 3.035 20 10 FGCDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCCSc2nccs2)C1 ZINC000152254022 704956647 /nfs/dbraw/zinc/95/66/47/704956647.db2.gz DBBBUTZDGGNTFT-HNNXBMFYSA-N 1 0 370.588 3.437 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000158035729 705170596 /nfs/dbraw/zinc/17/05/96/705170596.db2.gz BNHFKMDTHIIPPE-CJNGLKHVSA-N 1 0 353.304 3.379 20 10 FGCDRO CC[N@H+](CCC(=O)NC1CCCC1)Cc1cc(Br)ccc1O ZINC000174425404 705503876 /nfs/dbraw/zinc/50/38/76/705503876.db2.gz ZUHYWYUUHODSOK-UHFFFAOYSA-N 1 0 369.303 3.426 20 10 FGCDRO COc1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c(O)cc1C ZINC000179440105 705701779 /nfs/dbraw/zinc/70/17/79/705701779.db2.gz VRKGXDJFAQXFSG-UHFFFAOYSA-N 1 0 360.479 3.165 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000179642354 705708799 /nfs/dbraw/zinc/70/87/99/705708799.db2.gz JILQJDDRVNOTDN-OAHLLOKOSA-N 1 0 369.303 3.224 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000180654239 705751797 /nfs/dbraw/zinc/75/17/97/705751797.db2.gz RTOHKSIITUATHM-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000180900215 705762687 /nfs/dbraw/zinc/76/26/87/705762687.db2.gz AUYAMOGWMVWYFS-XJKSGUPXSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2nc3ccccc3s2)c1 ZINC000182380218 705838257 /nfs/dbraw/zinc/83/82/57/705838257.db2.gz BHVUSCYPQICVPV-NSHDSACASA-N 1 0 357.435 3.300 20 10 FGCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000182676491 705856538 /nfs/dbraw/zinc/85/65/38/705856538.db2.gz YDLOMOXZUPHWTG-INIZCTEOSA-N 1 0 352.544 3.368 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000183605793 705893046 /nfs/dbraw/zinc/89/30/46/705893046.db2.gz ADHBKBXFSNRPDU-HNNXBMFYSA-N 1 0 350.459 3.280 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1O ZINC000184854019 712677437 /nfs/dbraw/zinc/67/74/37/712677437.db2.gz GTSCJGKWGMAHLU-BBRMVZONSA-N 1 0 350.459 3.317 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000185533781 712696268 /nfs/dbraw/zinc/69/62/68/712696268.db2.gz YQCFBZCFFZCBDC-MLGOLLRUSA-N 1 0 350.459 3.355 20 10 FGCDRO CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H]1CC[N@H+](C)C1 ZINC000187671377 712751765 /nfs/dbraw/zinc/75/17/65/712751765.db2.gz DAZDWGQWGGFWBP-CQSZACIVSA-N 1 0 359.495 3.385 20 10 FGCDRO CC(C)(C)OC(=O)NC1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000232557455 713578909 /nfs/dbraw/zinc/57/89/09/713578909.db2.gz UNUHWSOYKAZAOU-UHFFFAOYSA-N 1 0 371.275 3.300 20 10 FGCDRO CC(C)(C)c1cc(C[NH2+]CCCNS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000236742757 713583544 /nfs/dbraw/zinc/58/35/44/713583544.db2.gz ARYLMCOHGBHXFJ-UHFFFAOYSA-N 1 0 370.559 3.016 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000246874792 713632356 /nfs/dbraw/zinc/63/23/56/713632356.db2.gz DREVATGATKXPRF-XLIONFOSSA-N 1 0 363.571 3.001 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2Cl)C1 ZINC000291250906 713770441 /nfs/dbraw/zinc/77/04/41/713770441.db2.gz VXRCSKYJNVBJGH-CQSZACIVSA-N 1 0 370.946 3.243 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1O ZINC000749926933 722748051 /nfs/dbraw/zinc/74/80/51/722748051.db2.gz QXSOXTDAGSFDLG-MRXNPFEDSA-N 1 0 360.841 3.339 20 10 FGCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2ccc(Br)cc21 ZINC000662603216 720445696 /nfs/dbraw/zinc/44/56/96/720445696.db2.gz ULKFYKJLIWCJHD-UHFFFAOYSA-N 1 0 357.251 3.298 20 10 FGCDRO COC1CCN(C(C)(C)C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000730816848 722471257 /nfs/dbraw/zinc/47/12/57/722471257.db2.gz AOGDCKGREWRWND-UHFFFAOYSA-N 1 0 371.319 3.134 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1[N+](=O)[O-] ZINC000731449993 722475387 /nfs/dbraw/zinc/47/53/87/722475387.db2.gz OGZJDCJPSJELBD-UHFFFAOYSA-N 1 0 367.199 3.361 20 10 FGCDRO O=C(Nc1cccnc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731851997 722478504 /nfs/dbraw/zinc/47/85/04/722478504.db2.gz JCGXHKVFOPEUJT-MRXNPFEDSA-N 1 0 360.845 3.227 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734843230 722510487 /nfs/dbraw/zinc/51/04/87/722510487.db2.gz HJPWESFWZRKEPQ-MSOLQXFVSA-N 1 0 352.400 3.377 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1F ZINC000740001817 722534653 /nfs/dbraw/zinc/53/46/53/722534653.db2.gz JGPJRITXHSDFHV-SFHVURJKSA-N 1 0 351.510 3.118 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc(Br)ccc1O ZINC000756398304 722963900 /nfs/dbraw/zinc/96/39/00/722963900.db2.gz UOCYSZBZSCGHDW-OCCSQVGLSA-N 1 0 366.255 3.245 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C(=O)NC(C)(C)C ZINC000756490580 722965491 /nfs/dbraw/zinc/96/54/91/722965491.db2.gz WJFSTRXETRIBER-IUCAKERBSA-N 1 0 361.255 3.248 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756633005 722967970 /nfs/dbraw/zinc/96/79/70/722967970.db2.gz GMLLHKABJHUHQF-BLLLJJGKSA-N 1 0 363.454 3.414 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Br)ccc1O ZINC000756661329 722968400 /nfs/dbraw/zinc/96/84/00/722968400.db2.gz QVAUSFPPJWVVBL-NWDGAFQWSA-N 1 0 354.244 3.250 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Br)cc1O ZINC000756787891 722970044 /nfs/dbraw/zinc/97/00/44/722970044.db2.gz SUDKDEWWYUPSKR-WCQYABFASA-N 1 0 356.260 3.491 20 10 FGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000758497333 722990669 /nfs/dbraw/zinc/99/06/69/722990669.db2.gz ZUBWPXFQUYRUOS-QGZVFWFLSA-N 1 0 358.507 3.108 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(F)(F)F)nc3)cc2)CC1 ZINC000759080948 722999169 /nfs/dbraw/zinc/99/91/69/722999169.db2.gz CIACZLGIFHZHBM-UHFFFAOYSA-N 1 0 350.388 3.464 20 10 FGCDRO CCN(CC)c1ccc(CN(C)C(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760467719 723057808 /nfs/dbraw/zinc/05/78/08/723057808.db2.gz JEYHVIOVKHSEHZ-UHFFFAOYSA-N 1 0 362.587 3.181 20 10 FGCDRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(O)ccc(Cl)c3F)nc2)C1 ZINC000790240911 723115895 /nfs/dbraw/zinc/11/58/95/723115895.db2.gz NFMQKNOOOWQNRC-CYBMUJFWSA-N 1 0 364.852 3.332 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cc(Br)ccc1O ZINC000790749437 723173375 /nfs/dbraw/zinc/17/33/75/723173375.db2.gz DRUXHOFYPMAUEY-RNCFNFMXSA-N 1 0 366.263 3.278 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000762481049 723247040 /nfs/dbraw/zinc/24/70/40/723247040.db2.gz OFZYOEKGDDMIFI-UKRRQHHQSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000763453403 723343999 /nfs/dbraw/zinc/34/39/99/723343999.db2.gz RXTAZQSORFACIU-QFBILLFUSA-N 1 0 365.832 3.449 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(C3OCCO3)CC2)c(C(F)(F)F)c1 ZINC000792811965 723370413 /nfs/dbraw/zinc/37/04/13/723370413.db2.gz QLFMKISDWKPWBT-UHFFFAOYSA-N 1 0 358.404 3.356 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000792812875 723370529 /nfs/dbraw/zinc/37/05/29/723370529.db2.gz VWJSKVVKPJBRPM-AWEZNQCLSA-N 1 0 358.404 3.356 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000792841567 723373382 /nfs/dbraw/zinc/37/33/82/723373382.db2.gz AYUHKJONLQULFA-CVEARBPZSA-N 1 0 360.445 3.478 20 10 FGCDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)ccn1 ZINC000764840398 723451844 /nfs/dbraw/zinc/45/18/44/723451844.db2.gz NASFXTKMRDSNNV-CQSZACIVSA-N 1 0 361.873 3.431 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000793605072 723453995 /nfs/dbraw/zinc/45/39/95/723453995.db2.gz NGFKSWPSIVTCEV-LJQANCHMSA-N 1 0 350.434 3.364 20 10 FGCDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)cc1Cl ZINC000764965223 723464279 /nfs/dbraw/zinc/46/42/79/723464279.db2.gz UFOJYRRJTNDRSN-BEVDRBHNSA-N 1 0 363.933 3.454 20 10 FGCDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765362208 723508310 /nfs/dbraw/zinc/50/83/10/723508310.db2.gz FVCTYCCZOQEPLJ-LBPRGKRZSA-N 1 0 366.811 3.406 20 10 FGCDRO C[C@H]([NH2+]CCC(=O)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000765512979 723519294 /nfs/dbraw/zinc/51/92/94/723519294.db2.gz LEOXRCUTHOSTAH-HNNXBMFYSA-N 1 0 357.523 3.440 20 10 FGCDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000765610865 723527627 /nfs/dbraw/zinc/52/76/27/723527627.db2.gz XZCSAKYLSBIDIY-AWEZNQCLSA-N 1 0 360.479 3.234 20 10 FGCDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794831350 723548101 /nfs/dbraw/zinc/54/81/01/723548101.db2.gz CXRVLWVGNUYWDY-GOEBONIOSA-N 1 0 352.906 3.378 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNc3ncccc3Br)cc2)CC1 ZINC000795806280 723610285 /nfs/dbraw/zinc/61/02/85/723610285.db2.gz RVHWUEBWDBKEJH-UHFFFAOYSA-N 1 0 361.287 3.208 20 10 FGCDRO C[C@@](O)(C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1)C(F)(F)F ZINC000767504612 723621432 /nfs/dbraw/zinc/62/14/32/723621432.db2.gz IPVMCEHKQIHDJK-QGZVFWFLSA-N 1 0 354.372 3.466 20 10 FGCDRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1cc(F)c(F)c(F)c1 ZINC000767713841 723630741 /nfs/dbraw/zinc/63/07/41/723630741.db2.gz ZUHWTFPCMIVFEQ-NSHDSACASA-N 1 0 359.775 3.404 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768350292 723655014 /nfs/dbraw/zinc/65/50/14/723655014.db2.gz CUFYAMNOCQYBLG-HNNXBMFYSA-N 1 0 350.459 3.280 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)[C@@H](O)CO2 ZINC000768449638 723657869 /nfs/dbraw/zinc/65/78/69/723657869.db2.gz XJFIGYDHZGRMFQ-NSHDSACASA-N 1 0 371.277 3.135 20 10 FGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)o1 ZINC000769236937 723680304 /nfs/dbraw/zinc/68/03/04/723680304.db2.gz JEJOTTFYJPHVGZ-NSHDSACASA-N 1 0 352.232 3.226 20 10 FGCDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)[nH]1 ZINC000771066169 723727203 /nfs/dbraw/zinc/72/72/03/723727203.db2.gz OQISMIOAAJPDCK-MRXNPFEDSA-N 1 0 361.873 3.385 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000773068207 723775958 /nfs/dbraw/zinc/77/59/58/723775958.db2.gz YUNJJXWKCNMGRI-INIZCTEOSA-N 1 0 350.528 3.152 20 10 FGCDRO COc1cccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1O ZINC000798507251 723939190 /nfs/dbraw/zinc/93/91/90/723939190.db2.gz DRKPNSAVVFBZPE-HNNXBMFYSA-N 1 0 352.475 3.430 20 10 FGCDRO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775192611 723969980 /nfs/dbraw/zinc/96/99/80/723969980.db2.gz NLLOAUYPPKGMFZ-LJQANCHMSA-N 1 0 359.491 3.458 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1F ZINC000775620144 724011664 /nfs/dbraw/zinc/01/16/64/724011664.db2.gz BKAFLIZSDJVIGZ-HOTGVXAUSA-N 1 0 351.466 3.427 20 10 FGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Br)cc(C)c3O)C2)[nH]1 ZINC000775742622 724036523 /nfs/dbraw/zinc/03/65/23/724036523.db2.gz VQIBRATVEKIBJB-LBPRGKRZSA-N 1 0 365.275 3.269 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=S)NCC[NH+](C)C)cc2Cl)C1 ZINC000799898528 724108815 /nfs/dbraw/zinc/10/88/15/724108815.db2.gz QTFRWNAAUVLBKK-CQSZACIVSA-N 1 0 368.978 3.102 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@](C)(CO)c2ccccc2)c1O ZINC000776175312 724116057 /nfs/dbraw/zinc/11/60/57/724116057.db2.gz KVGOCWNAXYYJGF-KRWDZBQOSA-N 1 0 350.256 3.460 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@](C)(CO)c2ccccc2)c1O ZINC000776175313 724116266 /nfs/dbraw/zinc/11/62/66/724116266.db2.gz KVGOCWNAXYYJGF-QGZVFWFLSA-N 1 0 350.256 3.460 20 10 FGCDRO Oc1cc2c(cc1C[NH2+][C@@]1(Cc3ccc(Cl)cc3)CCOC1)OCO2 ZINC000800311468 724179979 /nfs/dbraw/zinc/17/99/79/724179979.db2.gz NPEYKUGGUISNRT-LJQANCHMSA-N 1 0 361.825 3.266 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1O ZINC000800544001 724210906 /nfs/dbraw/zinc/21/09/06/724210906.db2.gz RUSWTINLYVLQGH-UHFFFAOYSA-N 1 0 367.898 3.101 20 10 FGCDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc2c(cc1O)CCC2 ZINC000800851512 724237786 /nfs/dbraw/zinc/23/77/86/724237786.db2.gz DFSMOHITFIIYFK-UHFFFAOYSA-N 1 0 358.507 3.389 20 10 FGCDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000800901217 724245183 /nfs/dbraw/zinc/24/51/83/724245183.db2.gz QREYMVIQWHBBAI-SFHVURJKSA-N 1 0 358.869 3.369 20 10 FGCDRO CC(C)CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000802302849 724375131 /nfs/dbraw/zinc/37/51/31/724375131.db2.gz SPXSTVRHXYYNAL-HXUWFJFHSA-N 1 0 364.555 3.226 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3cccc(Cl)n3)CC2)cc1 ZINC000787893892 725040188 /nfs/dbraw/zinc/04/01/88/725040188.db2.gz DVDKZVRLFDAORK-UHFFFAOYSA-N 1 0 360.889 3.368 20 10 FGCDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808704460 725214413 /nfs/dbraw/zinc/21/44/13/725214413.db2.gz RKVKPBWPCVFTDS-CYBMUJFWSA-N 1 0 362.857 3.443 20 10 FGCDRO Cn1cc(C[NH2+]Cc2cc(Br)ccc2O)c(-c2ccncc2)n1 ZINC000809713174 725261625 /nfs/dbraw/zinc/26/16/25/725261625.db2.gz KQEKPMMSKAVSOW-UHFFFAOYSA-N 1 0 373.254 3.240 20 10 FGCDRO COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)c1O ZINC000809739911 725264235 /nfs/dbraw/zinc/26/42/35/725264235.db2.gz GJNBBSBWQLLDES-UHFFFAOYSA-N 1 0 358.829 3.233 20 10 FGCDRO CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810213095 725297095 /nfs/dbraw/zinc/29/70/95/725297095.db2.gz LPKANLQDBAYVIM-INIZCTEOSA-N 1 0 360.420 3.299 20 10 FGCDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810226623 725298155 /nfs/dbraw/zinc/29/81/55/725298155.db2.gz HNGCLBBICRZXMU-ZDUSSCGKSA-N 1 0 365.417 3.277 20 10 FGCDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000810259746 725300399 /nfs/dbraw/zinc/30/03/99/725300399.db2.gz RLAJYQFCXCYFAM-LIRRHRJNSA-N 1 0 352.906 3.378 20 10 FGCDRO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810261270 725300481 /nfs/dbraw/zinc/30/04/81/725300481.db2.gz IRMONKLLIAUBKV-IAGOWNOFSA-N 1 0 351.510 3.433 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)c1O ZINC000811507321 725370765 /nfs/dbraw/zinc/37/07/65/725370765.db2.gz YMKZNMCRYRQAPB-UHFFFAOYSA-N 1 0 362.227 3.101 20 10 FGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811930278 725385065 /nfs/dbraw/zinc/38/50/65/725385065.db2.gz RPTBDSLSXQYZCC-GFCCVEGCSA-N 1 0 372.307 3.074 20 10 FGCDRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000814170811 726944277 /nfs/dbraw/zinc/94/42/77/726944277.db2.gz DAAUZNLLSVLSAY-IBGZPJMESA-N 1 0 364.555 3.466 20 10 FGCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC1CCS(=O)(=O)CC1 ZINC000817298834 727238343 /nfs/dbraw/zinc/23/83/43/727238343.db2.gz PVMPVVKLCNXKBR-QGZVFWFLSA-N 1 0 351.512 3.155 20 10 FGCDRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817549002 727263800 /nfs/dbraw/zinc/26/38/00/727263800.db2.gz GPMCEQSCNSFNQU-CZUORRHYSA-N 1 0 358.816 3.172 20 10 FGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nc(Br)cs1 ZINC000817939593 727288952 /nfs/dbraw/zinc/28/89/52/727288952.db2.gz CSENFROFXZTOBK-MFKMUULPSA-N 1 0 369.332 3.322 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000817961015 727289849 /nfs/dbraw/zinc/28/98/49/727289849.db2.gz WFFVPCVYYVTOTL-ZETCQYMHSA-N 1 0 366.097 3.305 20 10 FGCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823448472 729281833 /nfs/dbraw/zinc/28/18/33/729281833.db2.gz WWLAHMKOKDMDSD-QGZVFWFLSA-N 1 0 357.523 3.343 20 10 FGCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000823851729 729309505 /nfs/dbraw/zinc/30/95/05/729309505.db2.gz XZWLVNVJLMMIQN-HXUWFJFHSA-N 1 0 364.555 3.370 20 10 FGCDRO COc1ccc(OC)c(C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825077723 729369945 /nfs/dbraw/zinc/36/99/45/729369945.db2.gz GJOASQAPDFQNBV-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(Br)cc(OC)c2O)cn1 ZINC000825130167 729372108 /nfs/dbraw/zinc/37/21/08/729372108.db2.gz OKUIMQNUGDMIPR-JTQLQIEISA-N 1 0 354.248 3.231 20 10 FGCDRO COCCOc1ccccc1C[NH2+]Cc1ccc(Br)cc1O ZINC000825130506 729372238 /nfs/dbraw/zinc/37/22/38/729372238.db2.gz BBPHRTJPGZPKCU-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)N1CCCC[C@@H]1C ZINC000825191227 729374093 /nfs/dbraw/zinc/37/40/93/729374093.db2.gz ZGQILFNUCRSGTI-RYUDHWBXSA-N 1 0 355.276 3.034 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cc1Cl ZINC000825246562 729375776 /nfs/dbraw/zinc/37/57/76/729375776.db2.gz DGRIBPVNSXIHMI-LBPRGKRZSA-N 1 0 357.784 3.162 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263965 729376149 /nfs/dbraw/zinc/37/61/49/729376149.db2.gz XIGKAGLIQUIAAF-KGLIPLIRSA-N 1 0 350.459 3.184 20 10 FGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)c1ccccc1Br ZINC000825305679 729378117 /nfs/dbraw/zinc/37/81/17/729378117.db2.gz PSQYFVLFGHQBLY-INIZCTEOSA-N 1 0 354.219 3.459 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000825353622 729380066 /nfs/dbraw/zinc/38/00/66/729380066.db2.gz OIJDDLFBBFLVDT-ZFWWWQNUSA-N 1 0 358.301 3.299 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1Cl ZINC000825421889 729382838 /nfs/dbraw/zinc/38/28/38/729382838.db2.gz HWCILKUUHPIPIE-UHFFFAOYSA-N 1 0 353.871 3.188 20 10 FGCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715536 729392624 /nfs/dbraw/zinc/39/26/24/729392624.db2.gz ACFYXBHVDFTGJW-ZDUSSCGKSA-N 1 0 350.260 3.268 20 10 FGCDRO OC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@@H]1C(F)(F)F ZINC000825887625 729398542 /nfs/dbraw/zinc/39/85/42/729398542.db2.gz VSAFRKXYYQJENN-PWSUYJOCSA-N 1 0 368.193 3.147 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000826816748 729416174 /nfs/dbraw/zinc/41/61/74/729416174.db2.gz ZNQQJLQGANMAFV-UHFFFAOYSA-N 1 0 356.869 3.165 20 10 FGCDRO O=C(CSC1CC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095859 729424173 /nfs/dbraw/zinc/42/41/73/729424173.db2.gz MKZIIFOOVMVFHY-AWEZNQCLSA-N 1 0 354.903 3.022 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827856427 729436073 /nfs/dbraw/zinc/43/60/73/729436073.db2.gz OUJKUKCUNHDCQM-HNNXBMFYSA-N 1 0 371.319 3.006 20 10 FGCDRO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000828044291 729439122 /nfs/dbraw/zinc/43/91/22/729439122.db2.gz ODOLPGIKHTWDSO-UHFFFAOYSA-N 1 0 356.813 3.264 20 10 FGCDRO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000828044084 729439141 /nfs/dbraw/zinc/43/91/41/729439141.db2.gz KJCYEMDLUKANQN-UHFFFAOYSA-N 1 0 356.813 3.264 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)cc2Cl)C1 ZINC000831079808 729615866 /nfs/dbraw/zinc/61/58/66/729615866.db2.gz PQUUAAOFDFHFMQ-KUHUBIRLSA-N 1 0 364.921 3.128 20 10 FGCDRO Cc1ccc(C)c(SCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832278857 729701864 /nfs/dbraw/zinc/70/18/64/729701864.db2.gz DYOCKTXJONOYOT-SFHVURJKSA-N 1 0 357.523 3.278 20 10 FGCDRO CN1CCN([C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)c2cccs2)CC1 ZINC000834487771 729807444 /nfs/dbraw/zinc/80/74/44/729807444.db2.gz LQPDVYAKTZBTQO-IAGOWNOFSA-N 1 0 357.523 3.019 20 10 FGCDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)c(C)n1-c1cccc(Cl)c1 ZINC000834832580 729837729 /nfs/dbraw/zinc/83/77/29/729837729.db2.gz XKRQIODXJWYHIQ-OAHLLOKOSA-N 1 0 355.816 3.460 20 10 FGCDRO C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834885995 729842780 /nfs/dbraw/zinc/84/27/80/729842780.db2.gz OSHYWBSUFSIPKU-HNNXBMFYSA-N 1 0 354.441 3.079 20 10 FGCDRO CC[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)ccc1O ZINC000834891057 729844106 /nfs/dbraw/zinc/84/41/06/729844106.db2.gz LVIRMMDJUMTAKZ-LZWOXQAQSA-N 1 0 369.303 3.059 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCc2ccc(C)cn2)c1O ZINC000835065709 729854996 /nfs/dbraw/zinc/85/49/96/729854996.db2.gz QBCGTWUFRSJFQZ-UHFFFAOYSA-N 1 0 351.244 3.199 20 10 FGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000840760034 730170387 /nfs/dbraw/zinc/17/03/87/730170387.db2.gz QNUMYPTYPUHOQV-LLVKDONJSA-N 1 0 353.438 3.417 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000840882089 730187685 /nfs/dbraw/zinc/18/76/85/730187685.db2.gz NCGHCOUNCSKKSZ-CQSZACIVSA-N 1 0 354.491 3.044 20 10 FGCDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890705 730188761 /nfs/dbraw/zinc/18/87/61/730188761.db2.gz OHNFVFQLDAUHDN-OAHLLOKOSA-N 1 0 356.507 3.291 20 10 FGCDRO CCc1cc(N2CCC([NH2+]Cc3c(O)cc(C)cc3Cl)CC2)ncn1 ZINC000840902408 730189514 /nfs/dbraw/zinc/18/95/14/730189514.db2.gz PNQXHCADJKHLSE-UHFFFAOYSA-N 1 0 360.889 3.465 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000840956219 730196817 /nfs/dbraw/zinc/19/68/17/730196817.db2.gz LGIGIJCSBBYCKF-UHFFFAOYSA-N 1 0 353.871 3.437 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](CN)C2CCCCC2)c1O ZINC000841039405 730205037 /nfs/dbraw/zinc/20/50/37/730205037.db2.gz NNEJAVWMRHCBFZ-CQSZACIVSA-N 1 0 357.292 3.161 20 10 FGCDRO Nc1ccc(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000841297468 730231046 /nfs/dbraw/zinc/23/10/46/730231046.db2.gz QPUATQDZXXCQLB-SFHVURJKSA-N 1 0 356.495 3.008 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1O ZINC000841759028 730271385 /nfs/dbraw/zinc/27/13/85/730271385.db2.gz WZULDIOIGWAMFC-GFCCVEGCSA-N 1 0 368.886 3.147 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841764863 730271994 /nfs/dbraw/zinc/27/19/94/730271994.db2.gz SHAXEEQNABCJCZ-JSGCOSHPSA-N 1 0 359.857 3.074 20 10 FGCDRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841896595 730283986 /nfs/dbraw/zinc/28/39/86/730283986.db2.gz MCLWQZZJMODQLO-UONOGXRCSA-N 1 0 352.910 3.065 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](C[NH3+])C3)cc2Cl)C1 ZINC000841897140 730284161 /nfs/dbraw/zinc/28/41/61/730284161.db2.gz PXEBGNGKGGEEDJ-HOCLYGCPSA-N 1 0 364.921 3.067 20 10 FGCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000842644736 730523839 /nfs/dbraw/zinc/52/38/39/730523839.db2.gz UNVDAINHQOFLRW-QGZVFWFLSA-N 1 0 358.404 3.324 20 10 FGCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)c(Br)cc1O ZINC000842778300 730542495 /nfs/dbraw/zinc/54/24/95/730542495.db2.gz OORVYZVNWHBKJC-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(Br)cn2)cc1 ZINC000844401083 730712954 /nfs/dbraw/zinc/71/29/54/730712954.db2.gz KHEZKBWCPDOLNQ-UHFFFAOYSA-N 1 0 364.287 3.421 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000846073628 730925449 /nfs/dbraw/zinc/92/54/49/730925449.db2.gz QNUKKAHVTAAJRC-NHYWBVRUSA-N 1 0 356.388 3.463 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1O ZINC000846157320 730932654 /nfs/dbraw/zinc/93/26/54/730932654.db2.gz KAULXXWVWJMGHX-SWLSCSKDSA-N 1 0 350.459 3.355 20 10 FGCDRO O=C(NCCCSc1nccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847487371 731058090 /nfs/dbraw/zinc/05/80/90/731058090.db2.gz DVNOXJNBNSIULT-MRXNPFEDSA-N 1 0 361.536 3.264 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C(F)F)cc2F)cc1 ZINC000848395116 731160779 /nfs/dbraw/zinc/16/07/79/731160779.db2.gz YJYWRXSEPGHPRB-INIZCTEOSA-N 1 0 351.372 3.259 20 10 FGCDRO CCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)cn1 ZINC000848532741 731176355 /nfs/dbraw/zinc/17/63/55/731176355.db2.gz DPJFHCXOVACZQV-JTQLQIEISA-N 1 0 354.248 3.231 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)c1O ZINC000848534992 731177320 /nfs/dbraw/zinc/17/73/20/731177320.db2.gz CLHYFNGJGFEOMP-GXSJLCMTSA-N 1 0 368.275 3.477 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)c1O ZINC000848540882 731178421 /nfs/dbraw/zinc/17/84/21/731178421.db2.gz JDCCQBQJHXVQFE-RDDDGLTNSA-N 1 0 372.181 3.391 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)[C@H](O)C(F)F ZINC000848552221 731180632 /nfs/dbraw/zinc/18/06/32/731180632.db2.gz AFYZUCYUIRUIRG-TXMMPKFLSA-N 1 0 368.218 3.219 20 10 FGCDRO CCc1cccc(C[NH+]2CCN(CCCOCC(F)(F)F)CC2)c1O ZINC000848883243 731217146 /nfs/dbraw/zinc/21/71/46/731217146.db2.gz LBIHRKKQKIYCJL-UHFFFAOYSA-N 1 0 360.420 3.041 20 10 FGCDRO CCc1cccc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c1O ZINC000848891683 731218394 /nfs/dbraw/zinc/21/83/94/731218394.db2.gz XVOVESNQUBSWRB-GOSISDBHSA-N 1 0 359.539 3.094 20 10 FGCDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C1CCOCC1 ZINC000850351055 731346642 /nfs/dbraw/zinc/34/66/42/731346642.db2.gz JVSJKBRVZVMYNM-GOSISDBHSA-N 1 0 351.487 3.230 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000850484043 731361664 /nfs/dbraw/zinc/36/16/64/731361664.db2.gz BFISUVLRSUONLB-PJODQICGSA-N 1 0 358.276 3.247 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000850484044 731361683 /nfs/dbraw/zinc/36/16/83/731361683.db2.gz BFISUVLRSUONLB-WPGHFRTFSA-N 1 0 358.276 3.247 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(Br)cc1O ZINC000850503818 731365950 /nfs/dbraw/zinc/36/59/50/731365950.db2.gz ZABBKUKKSXRFDB-YBQGDOTASA-N 1 0 360.317 3.495 20 10 FGCDRO COC(=O)c1nc(C[NH2+][C@H](C)c2cc(OC)ccc2O)ccc1Cl ZINC000850512557 731366711 /nfs/dbraw/zinc/36/67/11/731366711.db2.gz HHHTVHBAFQVTKU-SNVBAGLBSA-N 1 0 350.802 3.087 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)c2c1c(F)ccc2O ZINC000850530791 731369816 /nfs/dbraw/zinc/36/98/16/731369816.db2.gz CNYZTEUBEHCTNA-OCCSQVGLSA-N 1 0 355.475 3.417 20 10 FGCDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000850553837 731372378 /nfs/dbraw/zinc/37/23/78/731372378.db2.gz DNOZLDQZYXQIPU-DGCLKSJQSA-N 1 0 357.292 3.298 20 10 FGCDRO CC(C)OC(=O)N1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858136565 732184261 /nfs/dbraw/zinc/18/42/61/732184261.db2.gz OQLHNLOXSUYZCF-UHFFFAOYSA-N 1 0 371.275 3.254 20 10 FGCDRO OCC[C@@H](C[NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858142867 732185250 /nfs/dbraw/zinc/18/52/50/732185250.db2.gz PGNVLFNSEDLUCL-AWEZNQCLSA-N 1 0 350.256 3.411 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1F ZINC000858196848 732191509 /nfs/dbraw/zinc/19/15/09/732191509.db2.gz VUGPWVHZCKCZQL-INIZCTEOSA-N 1 0 360.326 3.271 20 10 FGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000858352832 732206488 /nfs/dbraw/zinc/20/64/88/732206488.db2.gz GFNLUUYGPUMHOP-GOEBONIOSA-N 1 0 358.511 3.004 20 10 FGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858472960 732218389 /nfs/dbraw/zinc/21/83/89/732218389.db2.gz MCLGVFBYBCXCPD-DZGCQCFKSA-N 1 0 364.873 3.089 20 10 FGCDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858472961 732218478 /nfs/dbraw/zinc/21/84/78/732218478.db2.gz MCLGVFBYBCXCPD-HIFRSBDPSA-N 1 0 364.873 3.089 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cc(Br)ccc1O ZINC000858475496 732218667 /nfs/dbraw/zinc/21/86/67/732218667.db2.gz ZUVJLQIGQFNFQM-GXTWGEPZSA-N 1 0 354.244 3.457 20 10 FGCDRO CCO[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241898 732480157 /nfs/dbraw/zinc/48/01/57/732480157.db2.gz MZTJELHLFTZIDH-FUHWJXTLSA-N 1 0 368.905 3.187 20 10 FGCDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862228532 732790038 /nfs/dbraw/zinc/79/00/38/732790038.db2.gz RPXJIXCUNMLRLA-UHFFFAOYSA-N 1 0 369.303 3.234 20 10 FGCDRO Oc1cccc(Br)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000862237235 732793552 /nfs/dbraw/zinc/79/35/52/732793552.db2.gz YFHFHLRNXCTEOA-AWEZNQCLSA-N 1 0 370.287 3.315 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862427943 732832259 /nfs/dbraw/zinc/83/22/59/732832259.db2.gz IRHLMJJKKFEVIV-SFHVURJKSA-N 1 0 357.523 3.437 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1O ZINC000862432842 732834558 /nfs/dbraw/zinc/83/45/58/732834558.db2.gz PDKVXUSJAMVPTL-QGZVFWFLSA-N 1 0 366.255 3.166 20 10 FGCDRO COc1cc(Br)c(C[NH2+]Cc2cc(C)ccc2O)cc1O ZINC000862475909 732839385 /nfs/dbraw/zinc/83/93/85/732839385.db2.gz BKKGCLIPENEKGS-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c(C(F)(F)F)c1 ZINC000862549950 732849362 /nfs/dbraw/zinc/84/93/62/732849362.db2.gz AWCXEEBIRSLFCQ-MRXNPFEDSA-N 1 0 355.404 3.014 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000866474253 733354561 /nfs/dbraw/zinc/35/45/61/733354561.db2.gz MEPIDJIFHZARQP-AWEZNQCLSA-N 1 0 359.495 3.200 20 10 FGCDRO c1cnc2cc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)ccc2n1 ZINC000873015462 735709687 /nfs/dbraw/zinc/70/96/87/735709687.db2.gz MEMVRIFGOGRWTD-UHFFFAOYSA-N 1 0 350.491 3.473 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000886788778 739299937 /nfs/dbraw/zinc/29/99/37/739299937.db2.gz ISHIMQZSCKXEHQ-ZOWXZIJZSA-N 1 0 358.276 3.247 20 10 FGCDRO CC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891256483 739887231 /nfs/dbraw/zinc/88/72/31/739887231.db2.gz YSELTLSRKIKKID-MRXNPFEDSA-N 1 0 359.495 3.049 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894495133 742291504 /nfs/dbraw/zinc/29/15/04/742291504.db2.gz SIDULZVTGLESED-CQSZACIVSA-N 1 0 350.459 3.056 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000895123554 742378363 /nfs/dbraw/zinc/37/83/63/742378363.db2.gz GTOIOVOULWFKFD-GXTWGEPZSA-N 1 0 351.443 3.009 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)c(O)c1OC ZINC000895333261 742398744 /nfs/dbraw/zinc/39/87/44/742398744.db2.gz CAMMYJLZFCHNFP-CQSZACIVSA-N 1 0 363.376 3.389 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c1O ZINC000896551744 742564579 /nfs/dbraw/zinc/56/45/79/742564579.db2.gz RIIHKSDFJSGTQQ-UHFFFAOYSA-N 1 0 351.834 3.200 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)cc1C ZINC000897539742 742686976 /nfs/dbraw/zinc/68/69/76/742686976.db2.gz QTZNZQLEJVQSOA-UHFFFAOYSA-N 1 0 357.441 3.302 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1C ZINC000898724811 742826876 /nfs/dbraw/zinc/82/68/76/742826876.db2.gz BJGIQKAMDYRMBJ-CYBMUJFWSA-N 1 0 350.260 3.067 20 10 FGCDRO Cc1cc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cnc1F ZINC000899260758 742900826 /nfs/dbraw/zinc/90/08/26/742900826.db2.gz QCHQIIPRUUIUTN-QPEQYQDCSA-N 1 0 367.515 3.318 20 10 FGCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000902763749 743773633 /nfs/dbraw/zinc/77/36/33/743773633.db2.gz YJIAAXPUQWQWIZ-WMZOPIPTSA-N 1 0 350.478 3.224 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c1 ZINC000903425429 743848986 /nfs/dbraw/zinc/84/89/86/743848986.db2.gz DMJUQDHEEYLNQY-AWEZNQCLSA-N 1 0 360.479 3.456 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1C ZINC000903433916 743850290 /nfs/dbraw/zinc/85/02/90/743850290.db2.gz GXVBGFASOVQVHM-OLZOCXBDSA-N 1 0 362.861 3.088 20 10 FGCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCC[NH+](C)C)cc1 ZINC000912106960 757269664 /nfs/dbraw/zinc/26/96/64/757269664.db2.gz PXDVDNKEZPIRDL-UHFFFAOYSA-N 1 0 359.436 3.375 20 10 FGCDRO FC(F)(F)[C@H]1CC[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922680133 758977708 /nfs/dbraw/zinc/97/77/08/758977708.db2.gz TZLNSTWNABBRIS-DLBZAZTESA-N 1 0 358.404 3.113 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1 ZINC000922681437 758978639 /nfs/dbraw/zinc/97/86/39/758978639.db2.gz NPWOZHLHDDFLLE-SREVYHEPSA-N 1 0 358.507 3.002 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1O ZINC000922892795 759023608 /nfs/dbraw/zinc/02/36/08/759023608.db2.gz CISOKHGIVGMWJA-HNNXBMFYSA-N 1 0 368.275 3.384 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cc(C3CC3)nn2C)c1O ZINC000922947853 759035411 /nfs/dbraw/zinc/03/54/11/759035411.db2.gz KVVRIPHZQPKACM-UHFFFAOYSA-N 1 0 366.259 3.064 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)(C)CO ZINC000924706121 759374477 /nfs/dbraw/zinc/37/44/77/759374477.db2.gz OJHSODHRHOBTFM-CYBMUJFWSA-N 1 0 360.420 3.039 20 10 FGCDRO Cc1cc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)nn1C ZINC000926915289 759847856 /nfs/dbraw/zinc/84/78/56/759847856.db2.gz ONGPZWSNGIPUIB-HNNXBMFYSA-N 1 0 362.905 3.112 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOC2CCOCC2)c1O ZINC000927075981 759886196 /nfs/dbraw/zinc/88/61/96/759886196.db2.gz ANCUMZGFIGMIAV-LLVKDONJSA-N 1 0 374.275 3.010 20 10 FGCDRO c1csc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000932195056 761079540 /nfs/dbraw/zinc/07/95/40/761079540.db2.gz NSGZRBMRDVZUPV-SFHVURJKSA-N 1 0 357.523 3.434 20 10 FGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779040843 724383683 /nfs/dbraw/zinc/38/36/83/724383683.db2.gz MAIBTZQGIFLHPO-SUHUHFCYSA-N 1 0 355.276 3.028 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000779039594 724383740 /nfs/dbraw/zinc/38/37/40/724383740.db2.gz DFHQKSPNBCTSQV-PRHODGIISA-N 1 0 356.182 3.427 20 10 FGCDRO Cc1cnccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000577045767 505651776 /nfs/dbraw/zinc/65/17/76/505651776.db2.gz GXRCRTPLCYWIOT-UHFFFAOYSA-N 1 0 362.477 3.172 20 10 FGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090846487 494500258 /nfs/dbraw/zinc/50/02/58/494500258.db2.gz YLVGYPFDPFERCW-OAHLLOKOSA-N 1 0 374.504 3.371 20 10 FGCDRO Cc1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1C ZINC000091675470 494642425 /nfs/dbraw/zinc/64/24/25/494642425.db2.gz CXNIMKFIALZNOR-UHFFFAOYSA-N 1 0 351.498 3.238 20 10 FGCDRO O=[N+]([O-])c1cccnc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000091675306 494642581 /nfs/dbraw/zinc/64/25/81/494642581.db2.gz ZNXMAHNHNZGBRA-UHFFFAOYSA-N 1 0 367.453 3.134 20 10 FGCDRO COc1ccccc1NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000093817231 494924308 /nfs/dbraw/zinc/92/43/08/494924308.db2.gz VFDXAVIQHNXWKF-UHFFFAOYSA-N 1 0 356.422 3.206 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1F ZINC000122352751 494962114 /nfs/dbraw/zinc/96/21/14/494962114.db2.gz MOVGXFCVUHTSJR-UHFFFAOYSA-N 1 0 370.516 3.426 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000127696086 494982911 /nfs/dbraw/zinc/98/29/11/494982911.db2.gz CUUHFPYWGCYQGS-LJQANCHMSA-N 1 0 358.482 3.373 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124105200 495234334 /nfs/dbraw/zinc/23/43/34/495234334.db2.gz TYVCRDAIBGDCQZ-SFHVURJKSA-N 1 0 353.514 3.450 20 10 FGCDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000125399058 495438649 /nfs/dbraw/zinc/43/86/49/495438649.db2.gz MEOVLZJAKZBFDD-UHFFFAOYSA-N 1 0 364.493 3.124 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130884118 495461098 /nfs/dbraw/zinc/46/10/98/495461098.db2.gz RULRVAXMBWYJFE-CQSZACIVSA-N 1 0 372.444 3.004 20 10 FGCDRO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000185347912 495541372 /nfs/dbraw/zinc/54/13/72/495541372.db2.gz PNLHLNIAMODGCF-CQSZACIVSA-N 1 0 353.422 3.446 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000158606903 495549410 /nfs/dbraw/zinc/54/94/10/495549410.db2.gz ADEYETBORYTHHA-HUUCEWRRSA-N 1 0 363.479 3.222 20 10 FGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176414705 495642837 /nfs/dbraw/zinc/64/28/37/495642837.db2.gz USFORVFSMACVJN-UXHICEINSA-N 1 0 356.514 3.055 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000179766552 495726982 /nfs/dbraw/zinc/72/69/82/495726982.db2.gz YHKPKINQLYVMDJ-UHFFFAOYSA-N 1 0 353.466 3.309 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000185874475 495759262 /nfs/dbraw/zinc/75/92/62/495759262.db2.gz YWFVLQAMIJWJCE-KBXCAEBGSA-N 1 0 374.481 3.372 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000179874890 495766256 /nfs/dbraw/zinc/76/62/56/495766256.db2.gz ZIFMQHJILJLTEM-UHFFFAOYSA-N 1 0 368.477 3.068 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000182977165 495782373 /nfs/dbraw/zinc/78/23/73/495782373.db2.gz OSZUIPLXMHBWPH-UHFFFAOYSA-N 1 0 355.434 3.310 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186021827 495824823 /nfs/dbraw/zinc/82/48/23/495824823.db2.gz SSJJSURTVQHIFF-NHYWBVRUSA-N 1 0 356.388 3.085 20 10 FGCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183106589 495836435 /nfs/dbraw/zinc/83/64/35/495836435.db2.gz MXLAKZRRMPWQNO-LJQANCHMSA-N 1 0 371.477 3.456 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176977272 495867461 /nfs/dbraw/zinc/86/74/61/495867461.db2.gz YLKIICRJGWCABY-INIZCTEOSA-N 1 0 357.498 3.133 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000186144085 495872780 /nfs/dbraw/zinc/87/27/80/495872780.db2.gz YLKJELGONYLXAV-BXKDBHETSA-N 1 0 350.768 3.250 20 10 FGCDRO CC[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1O ZINC000155236330 495886723 /nfs/dbraw/zinc/88/67/23/495886723.db2.gz BZPOCAYFVROOLH-FQEVSTJZSA-N 1 0 368.477 3.333 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1O ZINC000155364842 495934907 /nfs/dbraw/zinc/93/49/07/495934907.db2.gz MQLULFZCPZTGBZ-LJQANCHMSA-N 1 0 374.506 3.418 20 10 FGCDRO COc1ccc(O)c([C@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000186349870 495958885 /nfs/dbraw/zinc/95/88/85/495958885.db2.gz UAWOZILMKPEPNV-IFXJQAMLSA-N 1 0 369.465 3.024 20 10 FGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccccc1O ZINC000183494550 496008311 /nfs/dbraw/zinc/00/83/11/496008311.db2.gz ZTBAPYCFGOEZKT-OAHLLOKOSA-N 1 0 362.495 3.071 20 10 FGCDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155669258 496031122 /nfs/dbraw/zinc/03/11/22/496031122.db2.gz MNWBGYBIEYAAFL-UHFFFAOYSA-N 1 0 356.514 3.079 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1OC ZINC000181337336 496358258 /nfs/dbraw/zinc/35/82/58/496358258.db2.gz KXEDLLICZNQOLC-UHFFFAOYSA-N 1 0 371.462 3.260 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000184675828 496489194 /nfs/dbraw/zinc/48/91/94/496489194.db2.gz WTGGNIQEYXSOPL-ZDUSSCGKSA-N 1 0 372.856 3.477 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000184705868 496500884 /nfs/dbraw/zinc/50/08/84/496500884.db2.gz FUMOWKILVGYECW-UHFFFAOYSA-N 1 0 374.868 3.449 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc1OC ZINC000178874306 496601351 /nfs/dbraw/zinc/60/13/51/496601351.db2.gz FSXPZXQZDONBFL-IEBWSBKVSA-N 1 0 351.512 3.376 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000185086778 496652498 /nfs/dbraw/zinc/65/24/98/496652498.db2.gz FTBXNPVGMFOTAL-OAHLLOKOSA-N 1 0 363.479 3.057 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c1 ZINC000185132466 496674553 /nfs/dbraw/zinc/67/45/53/496674553.db2.gz XFJSYVYPMMRGSQ-SJORKVTESA-N 1 0 370.493 3.472 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cc(F)ccc1O ZINC000185147207 496680716 /nfs/dbraw/zinc/68/07/16/496680716.db2.gz IWFDGTITJTXEAB-MRXNPFEDSA-N 1 0 374.456 3.093 20 10 FGCDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273367164 496785885 /nfs/dbraw/zinc/78/58/85/496785885.db2.gz FEOBUTYMTKVJJI-LLVKDONJSA-N 1 0 362.382 3.177 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273585198 496847143 /nfs/dbraw/zinc/84/71/43/496847143.db2.gz NQATVXZZVYJDHG-CHWSQXEVSA-N 1 0 366.458 3.193 20 10 FGCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccncc1 ZINC000191904069 496927030 /nfs/dbraw/zinc/92/70/30/496927030.db2.gz YWFPCTWATJRLGQ-SFHVURJKSA-N 1 0 364.829 3.017 20 10 FGCDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(N)cc1)c1cccc(OC)c1 ZINC000236878282 497161565 /nfs/dbraw/zinc/16/15/65/497161565.db2.gz DAZIYMSTQMJJIU-HXUWFJFHSA-N 1 0 355.482 3.019 20 10 FGCDRO COc1ccc([C@H]2[C@H](CNC(=O)Cc3ccc(N)cc3)CCC[N@@H+]2C)cc1 ZINC000237384761 497228941 /nfs/dbraw/zinc/22/89/41/497228941.db2.gz MVRSLLICLAIDFE-AVRDEDQJSA-N 1 0 367.493 3.019 20 10 FGCDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccccc1O ZINC000237392616 497229862 /nfs/dbraw/zinc/22/98/62/497229862.db2.gz BATSOSAOWXICAE-INIZCTEOSA-N 1 0 353.466 3.499 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)ccc1O ZINC000279017253 497304839 /nfs/dbraw/zinc/30/48/39/497304839.db2.gz UKKLQRNKLJAYBS-NEPJUHHUSA-N 1 0 350.260 3.264 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c(C(F)(F)F)c1 ZINC000279558426 497471592 /nfs/dbraw/zinc/47/15/92/497471592.db2.gz FAZIVLBILAXTME-UHFFFAOYSA-N 1 0 369.431 3.358 20 10 FGCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279748308 497529219 /nfs/dbraw/zinc/52/92/19/497529219.db2.gz XVMLAKCCXXGIOU-UHFFFAOYSA-N 1 0 357.420 3.214 20 10 FGCDRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000190793740 497606298 /nfs/dbraw/zinc/60/62/98/497606298.db2.gz PHIQHCVIXHDYBR-UHFFFAOYSA-N 1 0 372.488 3.192 20 10 FGCDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1O ZINC000277216349 497778806 /nfs/dbraw/zinc/77/88/06/497778806.db2.gz LRFHSELGVWDKMW-QGZVFWFLSA-N 1 0 370.493 3.348 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295828921 497822494 /nfs/dbraw/zinc/82/24/94/497822494.db2.gz DUKWEYGJFXXDIP-SFHVURJKSA-N 1 0 374.506 3.200 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c(O)c1 ZINC000284695091 497870220 /nfs/dbraw/zinc/87/02/20/497870220.db2.gz YIGQGYAUTKHZLE-LAUBAEHRSA-N 1 0 372.513 3.087 20 10 FGCDRO COc1ccc([C@H](C[NH2+][C@H]2CCc3cccc(O)c32)N2CCOCC2)cc1 ZINC000296129356 497930354 /nfs/dbraw/zinc/93/03/54/497930354.db2.gz VRKHJCQQYGUJLR-PMACEKPBSA-N 1 0 368.477 3.051 20 10 FGCDRO COc1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000364449499 497962204 /nfs/dbraw/zinc/96/22/04/497962204.db2.gz USZVCQTVQUGHAJ-MUJYYYPQSA-N 1 0 362.470 3.421 20 10 FGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ccc3nccnc3n2)C1 ZINC000301257502 498024255 /nfs/dbraw/zinc/02/42/55/498024255.db2.gz UGTFNQDEDRZRSS-OAHLLOKOSA-N 1 0 369.856 3.460 20 10 FGCDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000281214495 498059371 /nfs/dbraw/zinc/05/93/71/498059371.db2.gz LDAJAMCTEPZQDZ-FQEVSTJZSA-N 1 0 356.441 3.448 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000281294543 498093270 /nfs/dbraw/zinc/09/32/70/498093270.db2.gz YHGWVFHHKSSTNY-DGCLKSJQSA-N 1 0 355.276 3.064 20 10 FGCDRO CCn1cnnc1C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000360342324 498266602 /nfs/dbraw/zinc/26/66/02/498266602.db2.gz JFDSLCZAYNGYJA-UHFFFAOYSA-N 1 0 350.850 3.045 20 10 FGCDRO COC1CCN(c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000297321303 498404622 /nfs/dbraw/zinc/40/46/22/498404622.db2.gz ZOVCMIJHFOHPLS-NRFANRHFSA-N 1 0 357.542 3.362 20 10 FGCDRO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1OC ZINC000290112001 498432659 /nfs/dbraw/zinc/43/26/59/498432659.db2.gz ISMXUUSQDAEIHN-XCLFUZPHSA-N 1 0 363.429 3.193 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3cccc4nccn43)CC2)cc1 ZINC000362046097 498457899 /nfs/dbraw/zinc/45/78/99/498457899.db2.gz NCOUQYGUKXYEHG-UHFFFAOYSA-N 1 0 350.466 3.444 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293852550 498511796 /nfs/dbraw/zinc/51/17/96/498511796.db2.gz UGSPGJKPELJZDN-ZDUSSCGKSA-N 1 0 374.416 3.004 20 10 FGCDRO OC[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)[C@@H]1CCOC1 ZINC000293979633 498550703 /nfs/dbraw/zinc/55/07/03/498550703.db2.gz BFVIBBONWFFMIT-DYXWJJEUSA-N 1 0 355.478 3.301 20 10 FGCDRO OC[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)[C@H]1CCOC1 ZINC000293979649 498550970 /nfs/dbraw/zinc/55/09/70/498550970.db2.gz BFVIBBONWFFMIT-ZJOUEHCJSA-N 1 0 355.478 3.301 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000365711455 498609818 /nfs/dbraw/zinc/60/98/18/498609818.db2.gz FAGVCWLGGUWDEL-OAQYLSRUSA-N 1 0 358.457 3.469 20 10 FGCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](n3cc4ccccc4n3)C2)ccc1[N+](=O)[O-] ZINC000365793352 498642820 /nfs/dbraw/zinc/64/28/20/498642820.db2.gz GEWICWVSSYURPW-OAHLLOKOSA-N 1 0 368.393 3.106 20 10 FGCDRO Cc1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)ccc1N(C)C ZINC000294491044 498707992 /nfs/dbraw/zinc/70/79/92/498707992.db2.gz HUXILLLETXCFPV-UHFFFAOYSA-N 1 0 353.514 3.368 20 10 FGCDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000366070804 498761136 /nfs/dbraw/zinc/76/11/36/498761136.db2.gz ARSUSZAICRMHRL-ZWKOTPCHSA-N 1 0 372.488 3.212 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000579102500 506095060 /nfs/dbraw/zinc/09/50/60/506095060.db2.gz ISJHOOZNYHYZMP-INIZCTEOSA-N 1 0 363.461 3.498 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3cc(OC)ccc3O)CC2)c1 ZINC000294734871 498788939 /nfs/dbraw/zinc/78/89/39/498788939.db2.gz GPVCPTCHRFNMLX-AWEZNQCLSA-N 1 0 373.453 3.172 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291103146 498796437 /nfs/dbraw/zinc/79/64/37/498796437.db2.gz RREJXCVLIBVJDO-AWEZNQCLSA-N 1 0 355.438 3.171 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(OCC)ccc3O)CC2)c1 ZINC000294782633 498802919 /nfs/dbraw/zinc/80/29/19/498802919.db2.gz LEJWIBVNELWPRX-UHFFFAOYSA-N 1 0 373.453 3.001 20 10 FGCDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[NH+](C)C ZINC000298603540 498826912 /nfs/dbraw/zinc/82/69/12/498826912.db2.gz OZNIZDXETWDXDZ-FAFWDCIRSA-N 1 0 353.426 3.107 20 10 FGCDRO COCC1(O)CC[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000294894371 498840757 /nfs/dbraw/zinc/84/07/57/498840757.db2.gz RORQGUIQONGDOI-UHFFFAOYSA-N 1 0 360.523 3.358 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287798875 498866746 /nfs/dbraw/zinc/86/67/46/498866746.db2.gz TZSIMEDTXNRADO-LRDDRELGSA-N 1 0 360.329 3.376 20 10 FGCDRO OC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCC1(F)F ZINC000291348202 498905509 /nfs/dbraw/zinc/90/55/09/498905509.db2.gz WXWWIZGFMSQTJX-KRWDZBQOSA-N 1 0 363.404 3.421 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1O ZINC000363850441 499024662 /nfs/dbraw/zinc/02/46/62/499024662.db2.gz HKDSESKUFSCNMY-RHSMWYFYSA-N 1 0 366.440 3.379 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1[O-] ZINC000367909418 499244207 /nfs/dbraw/zinc/24/42/07/499244207.db2.gz GNIQWLKENYBRIJ-KSSFIOAISA-N 1 0 351.922 3.255 20 10 FGCDRO NC(=O)C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000367983019 499252045 /nfs/dbraw/zinc/25/20/45/499252045.db2.gz MLVBUERKALCWJZ-KGHZBTQCSA-N 1 0 365.437 3.238 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1 ZINC000371472526 499331495 /nfs/dbraw/zinc/33/14/95/499331495.db2.gz FECOIDDDLKUEFS-UHFFFAOYSA-N 1 0 373.449 3.027 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(=O)Nc3ccccc3)CC2)cc1 ZINC000368874783 499342247 /nfs/dbraw/zinc/34/22/47/499342247.db2.gz IALQWTDZHMPTMF-INIZCTEOSA-N 1 0 353.466 3.281 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)cc1OC ZINC000371811389 499367958 /nfs/dbraw/zinc/36/79/58/499367958.db2.gz VMZCGSYPKZPYAR-HXUWFJFHSA-N 1 0 353.422 3.022 20 10 FGCDRO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)no1 ZINC000369267925 499385800 /nfs/dbraw/zinc/38/58/00/499385800.db2.gz RNGRUFUDZGQJKS-LJQANCHMSA-N 1 0 369.513 3.123 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1O ZINC000369591954 499423796 /nfs/dbraw/zinc/42/37/96/499423796.db2.gz PAOIXIJPZJCNJC-GUYCJALGSA-N 1 0 361.511 3.166 20 10 FGCDRO COc1ccc(N2CCC[N@H+](Cc3cc(OC)c(O)c(OC)c3)CC2)cc1 ZINC000373077400 499450106 /nfs/dbraw/zinc/45/01/06/499450106.db2.gz HFQFSXIHWZQOAQ-UHFFFAOYSA-N 1 0 372.465 3.130 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1 ZINC000373185435 499456115 /nfs/dbraw/zinc/45/61/15/499456115.db2.gz IMPUTFXOGRVVJD-SCLBCKFNSA-N 1 0 361.511 3.166 20 10 FGCDRO COc1c(O)c(C[NH2+][C@@H]2COc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC000373196310 499456596 /nfs/dbraw/zinc/45/65/96/499456596.db2.gz VEFSGBICQLBXGD-GFCCVEGCSA-N 1 0 350.758 3.186 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000378532550 499529069 /nfs/dbraw/zinc/52/90/69/499529069.db2.gz LPCMITGDOZMXHA-SOFGYWHQSA-N 1 0 370.424 3.031 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000376505822 499613539 /nfs/dbraw/zinc/61/35/39/499613539.db2.gz MPIWYXLTGQGECL-GOSISDBHSA-N 1 0 358.482 3.014 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000377687802 499719939 /nfs/dbraw/zinc/71/99/39/499719939.db2.gz BHPCVEMZYOKQRV-LJQANCHMSA-N 1 0 359.491 3.348 20 10 FGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000377704592 499722835 /nfs/dbraw/zinc/72/28/35/499722835.db2.gz RMNAYUYTYRKDTC-UHFFFAOYSA-N 1 0 366.874 3.056 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC23CC3)C1 ZINC000416052431 499944872 /nfs/dbraw/zinc/94/48/72/499944872.db2.gz UBWPRMBEQMQOTL-MRXNPFEDSA-N 1 0 351.494 3.324 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCS2)C1 ZINC000435820174 501033341 /nfs/dbraw/zinc/03/33/41/501033341.db2.gz ZXGZQWAVOULWHY-INIZCTEOSA-N 1 0 371.550 3.420 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C)CCOCC2)C1 ZINC000435919356 501046573 /nfs/dbraw/zinc/04/65/73/501046573.db2.gz XCKPYSGNJRQZHA-UHFFFAOYSA-N 1 0 369.509 3.093 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCSC2)C1 ZINC000471431831 502027413 /nfs/dbraw/zinc/02/74/13/502027413.db2.gz GMCBKIZVLLQKIH-OAHLLOKOSA-N 1 0 357.523 3.030 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000472236435 502280340 /nfs/dbraw/zinc/28/03/40/502280340.db2.gz DUPAVGPIMXHFFN-UHFFFAOYSA-N 1 0 354.498 3.160 20 10 FGCDRO COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000527963478 504018223 /nfs/dbraw/zinc/01/82/23/504018223.db2.gz ADQRJNQBKVZHFI-WBVHZDCISA-N 1 0 356.466 3.335 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528151741 504094817 /nfs/dbraw/zinc/09/48/17/504094817.db2.gz UXRNKWCOILMJDV-GDBMZVCRSA-N 1 0 361.486 3.168 20 10 FGCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528289751 504151301 /nfs/dbraw/zinc/15/13/01/504151301.db2.gz UQWBNHSUQKORES-QGZVFWFLSA-N 1 0 357.498 3.087 20 10 FGCDRO CCCN1CCN(C(=O)c2ccccc2CC[NH2+]C)c2ccc(F)cc21 ZINC000562980550 505008540 /nfs/dbraw/zinc/00/85/40/505008540.db2.gz CBDDFQZWZUCIIH-UHFFFAOYSA-N 1 0 355.457 3.464 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)CCCC[NH+](C)C)ccc21 ZINC000607033404 507590850 /nfs/dbraw/zinc/59/08/50/507590850.db2.gz UJKXVAJUZRCZTD-UHFFFAOYSA-N 1 0 359.514 3.318 20 10 FGCDRO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@@H]21 ZINC000830941189 602203383 /nfs/dbraw/zinc/20/33/83/602203383.db2.gz UMYQREOVTYMWFF-BEFAXECRSA-N 1 0 354.450 3.160 20 10 FGCDRO C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941191 602203614 /nfs/dbraw/zinc/20/36/14/602203614.db2.gz UMYQREOVTYMWFF-HNAYVOBHSA-N 1 0 354.450 3.160 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821164906 607057605 /nfs/dbraw/zinc/05/76/05/607057605.db2.gz LWKXILSHRIJYHW-CYBMUJFWSA-N 1 0 354.433 3.313 20 10 FGCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(OCC)ccc1O ZINC000825318247 608547668 /nfs/dbraw/zinc/54/76/68/608547668.db2.gz KELMUTGVZGDTHH-UHFFFAOYSA-N 1 0 367.453 3.383 20 10 FGCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000084070416 700353398 /nfs/dbraw/zinc/35/33/98/700353398.db2.gz VVYVADBVYZLWJJ-UHFFFAOYSA-N 1 0 360.527 3.088 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591801 700406336 /nfs/dbraw/zinc/40/63/36/700406336.db2.gz OYYRUFOCRRIZGE-CVEARBPZSA-N 1 0 357.420 3.347 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000093335769 700450381 /nfs/dbraw/zinc/45/03/81/700450381.db2.gz NTFHGHOWMCTLST-UHFFFAOYSA-N 1 0 353.495 3.080 20 10 FGCDRO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccccc1O ZINC000109770112 700536399 /nfs/dbraw/zinc/53/63/99/700536399.db2.gz VVQNMLVEWHVHAH-GFCCVEGCSA-N 1 0 350.365 3.453 20 10 FGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000120193761 700650282 /nfs/dbraw/zinc/65/02/82/700650282.db2.gz FRNZNCNIWGFQKL-JYJNAYRXSA-N 1 0 352.906 3.378 20 10 FGCDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000127275737 700759553 /nfs/dbraw/zinc/75/95/53/700759553.db2.gz RUZOALCIJNDORJ-BSEYFRJRSA-N 1 0 372.962 3.374 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2cccs2)c1O ZINC000152997078 704982048 /nfs/dbraw/zinc/98/20/48/704982048.db2.gz SRTKPMBYCHEPFD-HNNXBMFYSA-N 1 0 372.284 3.222 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000154406332 705033313 /nfs/dbraw/zinc/03/33/13/705033313.db2.gz DREVATGATKXPRF-YLJYHZDGSA-N 1 0 363.571 3.001 20 10 FGCDRO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(N(C)C)cc1 ZINC000154442121 705034905 /nfs/dbraw/zinc/03/49/05/705034905.db2.gz LGZRQOCSLCYKGB-VQTJNVASSA-N 1 0 363.571 3.001 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000154682656 705044475 /nfs/dbraw/zinc/04/44/75/705044475.db2.gz WNVFTEQEYANNSF-UHFFFAOYSA-N 1 0 368.572 3.143 20 10 FGCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)c1ccccc1O ZINC000156808490 705132761 /nfs/dbraw/zinc/13/27/61/705132761.db2.gz VJTWJJYSKRAFNQ-HNNXBMFYSA-N 1 0 368.524 3.090 20 10 FGCDRO CNC(=O)CCC[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000156987049 705139796 /nfs/dbraw/zinc/13/97/96/705139796.db2.gz PZAHADHXZVHZEX-UHFFFAOYSA-N 1 0 365.271 3.266 20 10 FGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177099956 705605727 /nfs/dbraw/zinc/60/57/27/705605727.db2.gz CQISUDNFAOMEDX-CQSZACIVSA-N 1 0 366.889 3.377 20 10 FGCDRO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000178822303 705677227 /nfs/dbraw/zinc/67/72/27/705677227.db2.gz MUNLXYRKHYNPNU-HNNXBMFYSA-N 1 0 357.885 3.370 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000179450519 705702102 /nfs/dbraw/zinc/70/21/02/705702102.db2.gz UJPZSAFKDHRHPQ-AWEZNQCLSA-N 1 0 350.459 3.090 20 10 FGCDRO CN(c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1)C1CCCCC1 ZINC000182676319 705856450 /nfs/dbraw/zinc/85/64/50/705856450.db2.gz WWPVGLWYGRSWTQ-QGZVFWFLSA-N 1 0 350.528 3.122 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1O ZINC000237391544 713591320 /nfs/dbraw/zinc/59/13/20/713591320.db2.gz MJGKXVNYHBGYDU-UHFFFAOYSA-N 1 0 366.211 3.182 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000373974990 713889161 /nfs/dbraw/zinc/88/91/61/713889161.db2.gz GERFPRFLGNIKIU-LXIYXOSZSA-N 1 0 355.862 3.213 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(Br)cc1O ZINC000756638854 722968082 /nfs/dbraw/zinc/96/80/82/722968082.db2.gz SQUBRGRMKVTJNZ-XHDPSFHLSA-N 1 0 359.333 3.243 20 10 FGCDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000769466641 723686536 /nfs/dbraw/zinc/68/65/36/723686536.db2.gz OQCGKUYQRHIKLR-VXGBXAGGSA-N 1 0 357.292 3.078 20 10 FGCDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769990619 723702644 /nfs/dbraw/zinc/70/26/44/723702644.db2.gz VKGBJXLVWIGBCQ-GUYCJALGSA-N 1 0 350.459 3.108 20 10 FGCDRO c1cc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000780509227 724473382 /nfs/dbraw/zinc/47/33/82/724473382.db2.gz BOMWZQSQYYNPTC-UHFFFAOYSA-N 1 0 354.479 3.265 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000780892647 724512212 /nfs/dbraw/zinc/51/22/12/724512212.db2.gz JTTLVABFPABKER-KGLIPLIRSA-N 1 0 350.459 3.231 20 10 FGCDRO C[NH+](C)CC1(C(=O)NCc2cc(Br)ccc2O)CCCCC1 ZINC000804740960 724548404 /nfs/dbraw/zinc/54/84/04/724548404.db2.gz QOWYSSUHPJIVLV-UHFFFAOYSA-N 1 0 369.303 3.283 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000782547283 724681587 /nfs/dbraw/zinc/68/15/87/724681587.db2.gz PAGBEOFMDFCQGV-UONOGXRCSA-N 1 0 350.459 3.326 20 10 FGCDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000783313616 724746954 /nfs/dbraw/zinc/74/69/54/724746954.db2.gz CFLFKHKWNDDAPW-OAHLLOKOSA-N 1 0 351.922 3.312 20 10 FGCDRO COc1ccc(Br)c(C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000725849751 722424728 /nfs/dbraw/zinc/42/47/28/722424728.db2.gz WRNCIOPEVHCFFG-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CCNS(=O)(=O)CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000731677772 722477254 /nfs/dbraw/zinc/47/72/54/722477254.db2.gz OGCADVPYBCROHS-UHFFFAOYSA-N 1 0 370.559 3.016 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000750046476 722752848 /nfs/dbraw/zinc/75/28/48/722752848.db2.gz ALNSGQUTHBMNBJ-CQSZACIVSA-N 1 0 364.873 3.083 20 10 FGCDRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cc(Br)ccc1O ZINC000756398415 722963913 /nfs/dbraw/zinc/96/39/13/722963913.db2.gz FMYCXGXQIGLQBI-NSHDSACASA-N 1 0 367.287 3.206 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403282 722964065 /nfs/dbraw/zinc/96/40/65/722964065.db2.gz XNXLXQONHUKQFG-QWRGUYRKSA-N 1 0 357.267 3.429 20 10 FGCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Br)ccc1O ZINC000757799910 722979879 /nfs/dbraw/zinc/97/98/79/722979879.db2.gz LJBONBIJINYHAN-BBRMVZONSA-N 1 0 356.260 3.366 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1ccc(Br)cc1 ZINC000758527903 722991166 /nfs/dbraw/zinc/99/11/66/722991166.db2.gz ZNYDYWWOGRZJHZ-AWEZNQCLSA-N 1 0 350.256 3.096 20 10 FGCDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCSc2nccs2)C1 ZINC000759560986 723008962 /nfs/dbraw/zinc/00/89/62/723008962.db2.gz KQNPNJJZUPIYHY-GJZGRUSLSA-N 1 0 370.588 3.293 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000789764548 723071650 /nfs/dbraw/zinc/07/16/50/723071650.db2.gz HZKJPKKMQUEKNK-UHFFFAOYSA-N 1 0 371.319 3.006 20 10 FGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000760886020 723101519 /nfs/dbraw/zinc/10/15/19/723101519.db2.gz NNODQBQSCKVCRM-NIKGAXFTSA-N 1 0 368.905 3.021 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1O ZINC000761191895 723131553 /nfs/dbraw/zinc/13/15/53/723131553.db2.gz FAMDLVVFQPCDBD-UHFFFAOYSA-N 1 0 354.878 3.133 20 10 FGCDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000764357244 723408138 /nfs/dbraw/zinc/40/81/38/723408138.db2.gz XUITZJZYXRZRKS-SFHVURJKSA-N 1 0 361.555 3.121 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CCOCC1 ZINC000765128952 723483101 /nfs/dbraw/zinc/48/31/01/723483101.db2.gz YVZCLRFBKPCVFI-XHSDSOJGSA-N 1 0 350.478 3.344 20 10 FGCDRO C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000766143357 723558317 /nfs/dbraw/zinc/55/83/17/723558317.db2.gz YVKBLYGWEIXZJO-OAHLLOKOSA-N 1 0 360.889 3.334 20 10 FGCDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000796009081 723617291 /nfs/dbraw/zinc/61/72/91/723617291.db2.gz AAYCKKDIQYQRKA-CYBMUJFWSA-N 1 0 356.495 3.024 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC2CCN(C(=O)OC)CC2)cc1F ZINC000796507169 723640850 /nfs/dbraw/zinc/64/08/50/723640850.db2.gz SFYDSIPCZJFXLK-UHFFFAOYSA-N 1 0 351.466 3.240 20 10 FGCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)ccc1O ZINC000768163479 723649069 /nfs/dbraw/zinc/64/90/69/723649069.db2.gz PTMPZBHOLIYXNR-UHFFFAOYSA-N 1 0 350.821 3.323 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769120894 723677358 /nfs/dbraw/zinc/67/73/58/723677358.db2.gz LPERHBJZCDXBII-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO CC1(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)OCCO1 ZINC000769399917 723684513 /nfs/dbraw/zinc/68/45/13/723684513.db2.gz YIGFGOOIIGRFMA-UHFFFAOYSA-N 1 0 356.260 3.130 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccsc2)ccc1N1CCCCC1 ZINC000769931843 723701212 /nfs/dbraw/zinc/70/12/12/723701212.db2.gz CVSQZZQSGWBRHA-INIZCTEOSA-N 1 0 361.467 3.470 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773065241 723775743 /nfs/dbraw/zinc/77/57/43/723775743.db2.gz KCDCLBFIFISLKA-OAHLLOKOSA-N 1 0 368.518 3.291 20 10 FGCDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000773071301 723775969 /nfs/dbraw/zinc/77/59/69/723775969.db2.gz SSLJGEHUDDUXLP-HNNXBMFYSA-N 1 0 352.906 3.380 20 10 FGCDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773118644 723776956 /nfs/dbraw/zinc/77/69/56/723776956.db2.gz PGOIYPCBXREQME-ABAIWWIYSA-N 1 0 366.811 3.141 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000797142517 723786125 /nfs/dbraw/zinc/78/61/25/723786125.db2.gz WKILPKQGKCEWRU-UPJWGTAASA-N 1 0 362.499 3.428 20 10 FGCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)C1 ZINC000774486024 723899322 /nfs/dbraw/zinc/89/93/22/723899322.db2.gz HYZVGJIRYMUANU-FVWXCPNNSA-N 1 0 350.478 3.397 20 10 FGCDRO CC[C@@H]([NH2+]CCCNc1ncccn1)c1cc(Br)ccc1O ZINC000775513343 723997614 /nfs/dbraw/zinc/99/76/14/723997614.db2.gz XLTJWTYPLCMQEE-CQSZACIVSA-N 1 0 365.275 3.488 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(Br)ccc1O ZINC000775555986 723999736 /nfs/dbraw/zinc/99/97/36/723999736.db2.gz UEIVUVDXMOUZSA-CVEARBPZSA-N 1 0 372.303 3.373 20 10 FGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000775555070 723999938 /nfs/dbraw/zinc/99/99/38/723999938.db2.gz IEENIDWIPHEFJA-IJEWVQPXSA-N 1 0 358.276 3.389 20 10 FGCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)cc(C)c1O)CC2 ZINC000775699515 724026926 /nfs/dbraw/zinc/02/69/26/724026926.db2.gz GERGPSSDIOUALN-AWEZNQCLSA-N 1 0 368.271 3.238 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(N(C)C)cc1 ZINC000775836950 724069529 /nfs/dbraw/zinc/06/95/29/724069529.db2.gz POLNVQWQVWTEJH-GFCCVEGCSA-N 1 0 361.515 3.191 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1O ZINC000776175840 724115980 /nfs/dbraw/zinc/11/59/80/724115980.db2.gz VLRLQMKUWSSGFS-UHFFFAOYSA-N 1 0 362.267 3.083 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000776216105 724119797 /nfs/dbraw/zinc/11/97/97/724119797.db2.gz NDDATTCRVXFALH-HXUWFJFHSA-N 1 0 360.885 3.081 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000776865844 724190582 /nfs/dbraw/zinc/19/05/82/724190582.db2.gz VIDGYAYXBSMXDB-ILXRZTDVSA-N 1 0 350.459 3.308 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c(O)c1C ZINC000800504987 724204721 /nfs/dbraw/zinc/20/47/21/724204721.db2.gz RDURYFVYLMXQHL-KRWDZBQOSA-N 1 0 361.507 3.317 20 10 FGCDRO Cc1cc(Br)c(O)c(CNc2nc(N(C)C)cc(C)[nH+]2)c1 ZINC000800723703 724224719 /nfs/dbraw/zinc/22/47/19/724224719.db2.gz UENXXTSCMSNDLK-UHFFFAOYSA-N 1 0 351.248 3.240 20 10 FGCDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000800899828 724245322 /nfs/dbraw/zinc/24/53/22/724245322.db2.gz YQBZGORMINETPV-MRXNPFEDSA-N 1 0 358.869 3.369 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c1O ZINC000786823759 725002080 /nfs/dbraw/zinc/00/20/80/725002080.db2.gz NMAMCRBFEPBRJJ-LLVKDONJSA-N 1 0 372.181 3.220 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N(C)C)cc1 ZINC000786961306 725010231 /nfs/dbraw/zinc/01/02/31/725010231.db2.gz LDYGPLALDMQHJM-MRXNPFEDSA-N 1 0 352.525 3.459 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000786964326 725010497 /nfs/dbraw/zinc/01/04/97/725010497.db2.gz XMSMPWQRXPMAAK-ZDUSSCGKSA-N 1 0 352.525 3.459 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000788594508 725074532 /nfs/dbraw/zinc/07/45/32/725074532.db2.gz VOFYHDDWAQNLPD-QUCCMNQESA-N 1 0 364.555 3.368 20 10 FGCDRO CCn1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)c1=O ZINC000788608885 725075664 /nfs/dbraw/zinc/07/56/64/725075664.db2.gz QVYZWKVRZXELLF-LLVKDONJSA-N 1 0 351.244 3.187 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1O)[C@H]1CCCO1 ZINC000788622314 725076536 /nfs/dbraw/zinc/07/65/36/725076536.db2.gz AMWNIRNISMDBQM-TUKIKUTGSA-N 1 0 358.276 3.308 20 10 FGCDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808678357 725213032 /nfs/dbraw/zinc/21/30/32/725213032.db2.gz PISQZWAZXGAVMR-CYBMUJFWSA-N 1 0 362.857 3.330 20 10 FGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(Br)cc1O ZINC000808729579 725215136 /nfs/dbraw/zinc/21/51/36/725215136.db2.gz MHZLASGUOBPYLK-IXBGWNDUSA-N 1 0 364.239 3.300 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000809663665 725257483 /nfs/dbraw/zinc/25/74/83/725257483.db2.gz SPPOQHLVMOMMOT-CRAIPNDOSA-N 1 0 362.495 3.190 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000810252225 725300074 /nfs/dbraw/zinc/30/00/74/725300074.db2.gz AMPBKARKTIRIGT-KGLIPLIRSA-N 1 0 360.889 3.108 20 10 FGCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)c(F)c1 ZINC000813792431 726914621 /nfs/dbraw/zinc/91/46/21/726914621.db2.gz PGKUSXKPTMHJKL-INIZCTEOSA-N 1 0 366.230 3.346 20 10 FGCDRO Cn1ncc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000815127026 727042012 /nfs/dbraw/zinc/04/20/12/727042012.db2.gz JQFFXTAFAIYMIZ-CYBMUJFWSA-N 1 0 370.831 3.434 20 10 FGCDRO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815558915 727083773 /nfs/dbraw/zinc/08/37/73/727083773.db2.gz RPBALQWXVJRLBH-CQSZACIVSA-N 1 0 359.436 3.089 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816549016 727174138 /nfs/dbraw/zinc/17/41/38/727174138.db2.gz AGMYOWGENFFYLI-SUMWQHHRSA-N 1 0 358.885 3.411 20 10 FGCDRO O=S1(=O)CCc2cc(C[NH2+]Cc3ccc4ccccc4c3O)ccc21 ZINC000816557312 727175661 /nfs/dbraw/zinc/17/56/61/727175661.db2.gz MALNTBNRRQEPKM-UHFFFAOYSA-N 1 0 353.443 3.165 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816655943 727186018 /nfs/dbraw/zinc/18/60/18/727186018.db2.gz YSZROXUSNSQNMP-UHFFFAOYSA-N 1 0 371.275 3.126 20 10 FGCDRO C[NH2+]CCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817939269 727288719 /nfs/dbraw/zinc/28/87/19/727288719.db2.gz BSYBUYHQUMICHU-MRVPVSSYSA-N 1 0 366.097 3.177 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000817960168 727289549 /nfs/dbraw/zinc/28/95/49/727289549.db2.gz XXDSEGCJEYDMCP-ABAIWWIYSA-N 1 0 357.292 3.123 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)cc1 ZINC000818941828 727328785 /nfs/dbraw/zinc/32/87/85/727328785.db2.gz SDLNVBUIRHWOKA-KRWDZBQOSA-N 1 0 352.400 3.465 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000824514713 729344501 /nfs/dbraw/zinc/34/45/01/729344501.db2.gz BRLDADWVAGGGCS-KRWDZBQOSA-N 1 0 358.507 3.194 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C(F)(F)F)cc1O ZINC000824583766 729349118 /nfs/dbraw/zinc/34/91/18/729349118.db2.gz QHLGVGZWKMPSGE-ZBFHGGJFSA-N 1 0 360.420 3.299 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000824608695 729350282 /nfs/dbraw/zinc/35/02/82/729350282.db2.gz MUUFFCGCNXEAKH-UHFFFAOYSA-N 1 0 363.845 3.256 20 10 FGCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(Br)cc1O ZINC000824906998 729364586 /nfs/dbraw/zinc/36/45/86/729364586.db2.gz ULHDFQGBBOUCNN-CQSZACIVSA-N 1 0 350.260 3.398 20 10 FGCDRO COc1ccc(O)c(CNc2cc(N(C)C)c(Br)c[nH+]2)c1 ZINC000825104545 729370925 /nfs/dbraw/zinc/37/09/25/729370925.db2.gz ZPYGDVDQKFLZEP-UHFFFAOYSA-N 1 0 352.232 3.236 20 10 FGCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000825305435 729377815 /nfs/dbraw/zinc/37/78/15/729377815.db2.gz IXZPTMHRGSGQMW-MRXNPFEDSA-N 1 0 366.255 3.329 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000825391333 729381541 /nfs/dbraw/zinc/38/15/41/729381541.db2.gz SYZVUFGFZLWICA-INIZCTEOSA-N 1 0 358.869 3.492 20 10 FGCDRO COC(=O)c1nc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)ccc1Cl ZINC000826977170 729420604 /nfs/dbraw/zinc/42/06/04/729420604.db2.gz FKKITKYIZFWZBC-PLNGDYQASA-N 1 0 359.857 3.391 20 10 FGCDRO Cc1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829290498 729472063 /nfs/dbraw/zinc/47/20/63/729472063.db2.gz BAYAHURJBLSUBA-IBGZPJMESA-N 1 0 364.555 3.384 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000832285201 729702437 /nfs/dbraw/zinc/70/24/37/729702437.db2.gz PQWDSZBQJUBJTK-GOSISDBHSA-N 1 0 357.885 3.254 20 10 FGCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834877956 729841397 /nfs/dbraw/zinc/84/13/97/729841397.db2.gz HHWQMBHXPUVJAZ-AEFFLSMTSA-N 1 0 367.559 3.045 20 10 FGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(C)C ZINC000834880117 729842002 /nfs/dbraw/zinc/84/20/02/729842002.db2.gz JWJCOOKJEPHUDG-ABAIWWIYSA-N 1 0 357.292 3.308 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000835053048 729853475 /nfs/dbraw/zinc/85/34/75/729853475.db2.gz KIVOJWVMYHUJEC-HYXAFXHYSA-N 1 0 363.303 3.405 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1O ZINC000835060612 729854509 /nfs/dbraw/zinc/85/45/09/729854509.db2.gz SBLFWPRWUNCYCP-LLVKDONJSA-N 1 0 358.276 3.458 20 10 FGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)c1cccc(Br)c1 ZINC000840958081 730197137 /nfs/dbraw/zinc/19/71/37/730197137.db2.gz IEUSVBHRXHQVCD-MRXNPFEDSA-N 1 0 354.219 3.459 20 10 FGCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000841045163 730205716 /nfs/dbraw/zinc/20/57/16/730205716.db2.gz JAAZGKONPYJUFN-KRWDZBQOSA-N 1 0 355.511 3.004 20 10 FGCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841757847 730271329 /nfs/dbraw/zinc/27/13/29/730271329.db2.gz GDBHFRFZLIXNFF-BBATYDOGSA-N 1 0 351.830 3.447 20 10 FGCDRO C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000843129952 730589287 /nfs/dbraw/zinc/58/92/87/730589287.db2.gz VDSXIASYEVEGNX-YUMQZZPRSA-N 1 0 366.097 3.133 20 10 FGCDRO C[C@H](CSc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299624 730605896 /nfs/dbraw/zinc/60/58/96/730605896.db2.gz YMEINUFCWREFBO-BEFAXECRSA-N 1 0 357.523 3.297 20 10 FGCDRO COc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1Cl ZINC000843350176 730609468 /nfs/dbraw/zinc/60/94/68/730609468.db2.gz OEFPGBJGXWAWDZ-UHFFFAOYSA-N 1 0 359.857 3.199 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000843437009 730621190 /nfs/dbraw/zinc/62/11/90/730621190.db2.gz UKCSWUJQJFIOTM-GXTWGEPZSA-N 1 0 351.443 3.009 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1O ZINC000846138169 730931543 /nfs/dbraw/zinc/93/15/43/730931543.db2.gz UGYXZZXXQQAOLA-GOEBONIOSA-N 1 0 362.495 3.186 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846162070 730933017 /nfs/dbraw/zinc/93/30/17/730933017.db2.gz ADRWKPDIESAIEG-LSDHHAIUSA-N 1 0 363.479 3.222 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1O ZINC000848520411 731174790 /nfs/dbraw/zinc/17/47/90/731174790.db2.gz ITJQGCINGSUJAN-YGRLFVJLSA-N 1 0 357.292 3.154 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)cn1 ZINC000848519635 731174861 /nfs/dbraw/zinc/17/48/61/731174861.db2.gz SKLRMTBTLPWXEM-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO Cn1c(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)cnc1Cl ZINC000848534911 731177280 /nfs/dbraw/zinc/17/72/80/731177280.db2.gz WMZBWDQAZQAGMI-UHFFFAOYSA-N 1 0 370.831 3.434 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(CCO)CCC2)c1O ZINC000848535904 731177667 /nfs/dbraw/zinc/17/76/67/731177667.db2.gz LUQGXPBSRVQOJL-NSHDSACASA-N 1 0 358.276 3.367 20 10 FGCDRO Cn1c(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnc1Cl ZINC000848541709 731178333 /nfs/dbraw/zinc/17/83/33/731178333.db2.gz UKVXURKGROEQNY-GFCCVEGCSA-N 1 0 370.831 3.434 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000848548070 731179377 /nfs/dbraw/zinc/17/93/77/731179377.db2.gz ULLNFWSDQBXYFZ-CMPLNLGQSA-N 1 0 366.259 3.025 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOC(F)(F)F)c1O ZINC000848548322 731179426 /nfs/dbraw/zinc/17/94/26/731179426.db2.gz ZMMRXNFFTYJKFY-ZETCQYMHSA-N 1 0 358.154 3.350 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(C(F)(F)F)cc1O ZINC000848563585 731182316 /nfs/dbraw/zinc/18/23/16/731182316.db2.gz VJXDBGGNGGARMG-WCQYABFASA-N 1 0 354.376 3.138 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1O ZINC000848575582 731184524 /nfs/dbraw/zinc/18/45/24/731184524.db2.gz SPTAWTUQMLXJMC-LSDHHAIUSA-N 1 0 369.303 3.270 20 10 FGCDRO COCc1csc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000849173244 731233704 /nfs/dbraw/zinc/23/37/04/731233704.db2.gz DSCFGAXHCLWYED-RIYZIHGNSA-N 1 0 368.549 3.190 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000850484042 731361757 /nfs/dbraw/zinc/36/17/57/731361757.db2.gz BFISUVLRSUONLB-HZUKXOBISA-N 1 0 358.276 3.247 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(Br)cc1O ZINC000850503816 731365959 /nfs/dbraw/zinc/36/59/59/731365959.db2.gz ZABBKUKKSXRFDB-MNIFOHHSSA-N 1 0 360.317 3.495 20 10 FGCDRO COC(=O)c1nc(C[NH2+][C@@H](C)c2cccc(OC)c2O)ccc1Cl ZINC000850516556 731367285 /nfs/dbraw/zinc/36/72/85/731367285.db2.gz WYYOUUXTTJVTAZ-JTQLQIEISA-N 1 0 350.802 3.087 20 10 FGCDRO C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000850556873 731372934 /nfs/dbraw/zinc/37/29/34/731372934.db2.gz KJTKFCYQJSRJTR-DOMZBBRYSA-N 1 0 369.303 3.059 20 10 FGCDRO COCCOc1ccccc1C[NH2+]Cc1c(O)cccc1Br ZINC000858105866 732181155 /nfs/dbraw/zinc/18/11/55/732181155.db2.gz UPRFYYAGMGDPDU-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Br)Cc1ccccc1 ZINC000858106358 732181221 /nfs/dbraw/zinc/18/12/21/732181221.db2.gz HVRZKKVDGHXQEV-AWEZNQCLSA-N 1 0 350.256 3.096 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000858527210 732223893 /nfs/dbraw/zinc/22/38/93/732223893.db2.gz PGXJPSBJFORTRM-JSGCOSHPSA-N 1 0 370.877 3.332 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000859233368 732293752 /nfs/dbraw/zinc/29/37/52/732293752.db2.gz SKOCDPLULFJXJV-ZDUSSCGKSA-N 1 0 350.459 3.308 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862403266 732825817 /nfs/dbraw/zinc/82/58/17/732825817.db2.gz OLCKLAOBXXIDRF-LRDDRELGSA-N 1 0 370.877 3.160 20 10 FGCDRO C[NH+]1CCN(c2ccc(CN[C@@H](c3nccs3)C(F)(F)F)cc2)CC1 ZINC000862432350 732834713 /nfs/dbraw/zinc/83/47/13/732834713.db2.gz ZUNCCZACLMTRGW-HNNXBMFYSA-N 1 0 370.444 3.288 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)CC2)cc1 ZINC000865711365 733256451 /nfs/dbraw/zinc/25/64/51/733256451.db2.gz LZDORQYZHGUSIZ-IRXDYDNUSA-N 1 0 360.420 3.201 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCC23CCOCC3)c1O ZINC000865778897 733267977 /nfs/dbraw/zinc/26/79/77/733267977.db2.gz PRJFGJPIOLRSSL-CYBMUJFWSA-N 1 0 370.287 3.460 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000872119678 735592017 /nfs/dbraw/zinc/59/20/17/735592017.db2.gz IQZBGPOYUQPDMJ-SHPUBPCLSA-N 1 0 350.528 3.149 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](CCO)c2cccs2)cc1Cn1cccn1 ZINC000873058849 735715039 /nfs/dbraw/zinc/71/50/39/735715039.db2.gz KEYGUVNNQOREET-KRWDZBQOSA-N 1 0 357.479 3.215 20 10 FGCDRO C[NH+]1CCC2(CCN(C(=O)NCCCSc3nccs3)CC2)CC1 ZINC000875374767 735982260 /nfs/dbraw/zinc/98/22/60/735982260.db2.gz PSMVOAOTUPEPLQ-UHFFFAOYSA-N 1 0 368.572 3.143 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)cc1OC ZINC000877715768 736708946 /nfs/dbraw/zinc/70/89/46/736708946.db2.gz IRTNGAOHROALRQ-LJQANCHMSA-N 1 0 365.857 3.146 20 10 FGCDRO COc1cc(NCc2cc(F)cc(F)c2O)ccc1OCC[NH+](C)C ZINC000883146870 737529519 /nfs/dbraw/zinc/52/95/19/737529519.db2.gz BZQLJUSMKPIABE-UHFFFAOYSA-N 1 0 352.381 3.232 20 10 FGCDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747095 739290885 /nfs/dbraw/zinc/29/08/85/739290885.db2.gz KVWGYAXCLZFJBE-HNNXBMFYSA-N 1 0 363.571 3.398 20 10 FGCDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890759429 739827831 /nfs/dbraw/zinc/82/78/31/739827831.db2.gz BJWFSICWCDMNDC-UHFFFAOYSA-N 1 0 359.857 3.282 20 10 FGCDRO Cc1cc(CC[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000892472282 740004128 /nfs/dbraw/zinc/00/41/28/740004128.db2.gz VQKTWYVNOURHSF-QFBILLFUSA-N 1 0 360.523 3.049 20 10 FGCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c(O)c1OC ZINC000893617349 742177459 /nfs/dbraw/zinc/17/74/59/742177459.db2.gz RRFBQGRKHPUUFC-SFHVURJKSA-N 1 0 351.830 3.060 20 10 FGCDRO COc1cc(C)cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1O ZINC000894368476 742274089 /nfs/dbraw/zinc/27/40/89/742274089.db2.gz QYSRTLWRJGAMAR-OAHLLOKOSA-N 1 0 366.255 3.295 20 10 FGCDRO COc1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c(O)c1OC ZINC000894787669 742335113 /nfs/dbraw/zinc/33/51/13/742335113.db2.gz ILIHDMGVDFBTGY-GOSISDBHSA-N 1 0 363.479 3.464 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000895458276 742414550 /nfs/dbraw/zinc/41/45/50/742414550.db2.gz NLADHPJQUQFCFN-AWEZNQCLSA-N 1 0 363.479 3.006 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2nc(CN(C)C)cs2)c1O ZINC000896315787 742531763 /nfs/dbraw/zinc/53/17/63/742531763.db2.gz YSSOOGRLOYQOHG-UHFFFAOYSA-N 1 0 370.316 3.271 20 10 FGCDRO CCn1cnc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000902277533 743728124 /nfs/dbraw/zinc/72/81/24/743728124.db2.gz MEWPOYUAPOBSPN-AWEZNQCLSA-N 1 0 350.413 3.263 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000903234182 743827280 /nfs/dbraw/zinc/82/72/80/743827280.db2.gz LVTLPGPVZWEBCY-OAHLLOKOSA-N 1 0 362.495 3.158 20 10 FGCDRO CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc(Cl)ccc1O ZINC000903372307 743842368 /nfs/dbraw/zinc/84/23/68/743842368.db2.gz JDHMECTWKBKCBV-HNNXBMFYSA-N 1 0 355.862 3.135 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(Cl)cc1O ZINC000903424214 743848615 /nfs/dbraw/zinc/84/86/15/743848615.db2.gz ONJYJRDJBWAUAQ-GFCCVEGCSA-N 1 0 368.886 3.292 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1O ZINC000903424431 743848697 /nfs/dbraw/zinc/84/86/97/743848697.db2.gz VDMCJQILJRDCSH-GOSISDBHSA-N 1 0 362.495 3.337 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c(O)c1C ZINC000903424655 743849228 /nfs/dbraw/zinc/84/92/28/743849228.db2.gz ZYSJZUDSBPBTNQ-HNNXBMFYSA-N 1 0 362.495 3.256 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC000903477852 743854428 /nfs/dbraw/zinc/85/44/28/743854428.db2.gz DCNJLPVTEBKIBJ-NEPJUHHUSA-N 1 0 350.260 3.325 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000921611557 758755494 /nfs/dbraw/zinc/75/54/94/758755494.db2.gz CLWVKRIQIALEGT-AWEZNQCLSA-N 1 0 360.479 3.234 20 10 FGCDRO Cc1nonc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160266 759456721 /nfs/dbraw/zinc/45/67/21/759456721.db2.gz KXIFCLDIXXJUEV-YPMHNXCESA-N 1 0 352.385 3.299 20 10 FGCDRO CC1([NH+]2CCC2)CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000927296472 759957118 /nfs/dbraw/zinc/95/71/18/759957118.db2.gz IXFSFKZLYRAIGG-UHFFFAOYSA-N 1 0 351.878 3.252 20 10 FGCDRO FC1(F)C[C@@]2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1(F)F ZINC000931909583 761000844 /nfs/dbraw/zinc/00/08/44/761000844.db2.gz SBXVWEJLLWKPTG-MRXNPFEDSA-N 1 0 358.379 3.390 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000779033798 724383024 /nfs/dbraw/zinc/38/30/24/724383024.db2.gz ZVGZBTJDTHKDNY-YPMHNXCESA-N 1 0 355.276 3.123 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[NH2+]CC3(C)C)ccc21 ZINC000573737105 505607800 /nfs/dbraw/zinc/60/78/00/505607800.db2.gz IQCJOLROVKMSFS-LJQANCHMSA-N 1 0 357.498 3.022 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccon2)C1 ZINC000577343181 505708708 /nfs/dbraw/zinc/70/87/08/505708708.db2.gz NGUFSGFFBALIKJ-OAHLLOKOSA-N 1 0 366.465 3.273 20 10 FGCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)c1O ZINC000092452832 494629886 /nfs/dbraw/zinc/62/98/86/494629886.db2.gz UKPNSDCUXLAMFS-UHFFFAOYSA-N 1 0 374.868 3.402 20 10 FGCDRO Cc1noc(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000091833518 494696265 /nfs/dbraw/zinc/69/62/65/494696265.db2.gz MDZBUTTUDNJOCI-UHFFFAOYSA-N 1 0 352.232 3.226 20 10 FGCDRO COc1cc(OC)cc(C2(O)CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000092009615 494752315 /nfs/dbraw/zinc/75/23/15/494752315.db2.gz HSKWUHGGSICFOM-UHFFFAOYSA-N 1 0 357.450 3.201 20 10 FGCDRO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000119710828 495223757 /nfs/dbraw/zinc/22/37/57/495223757.db2.gz KXRDVAFOHOUTPY-MRXNPFEDSA-N 1 0 363.502 3.089 20 10 FGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1cccn1 ZINC000179646659 495676045 /nfs/dbraw/zinc/67/60/45/495676045.db2.gz GXARXJSVRAFLEN-XLIONFOSSA-N 1 0 351.450 3.213 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741571 495713323 /nfs/dbraw/zinc/71/33/23/495713323.db2.gz JBSCAPRFYLZTBJ-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC000179902704 495777039 /nfs/dbraw/zinc/77/70/39/495777039.db2.gz RILSFMQIYQJYAQ-UHFFFAOYSA-N 1 0 350.260 3.497 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3CC[NH3+])ccc21 ZINC000568894330 505802986 /nfs/dbraw/zinc/80/29/86/505802986.db2.gz JJEKWTIIBFSIRA-SFHVURJKSA-N 1 0 357.498 3.248 20 10 FGCDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2)ncn1 ZINC000186023647 495824798 /nfs/dbraw/zinc/82/47/98/495824798.db2.gz WIUWQDGQJCSOLC-HOCLYGCPSA-N 1 0 356.470 3.073 20 10 FGCDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183109714 495839298 /nfs/dbraw/zinc/83/92/98/495839298.db2.gz SDJGVCQUWSFABK-QGZVFWFLSA-N 1 0 354.450 3.059 20 10 FGCDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc4ccccc4c3O)C2=O)n(C)n1 ZINC000186083304 495848742 /nfs/dbraw/zinc/84/87/42/495848742.db2.gz YQEMTAYZULVGJS-KDOFPFPSSA-N 1 0 364.449 3.043 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccccc1O ZINC000155321490 495919592 /nfs/dbraw/zinc/91/95/92/495919592.db2.gz YWGIYLJZCNEFBQ-OAQYLSRUSA-N 1 0 370.493 3.344 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000180305239 495944663 /nfs/dbraw/zinc/94/46/63/495944663.db2.gz XYKGWSPLBRDWGC-GOSISDBHSA-N 1 0 370.449 3.321 20 10 FGCDRO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000180382475 495973889 /nfs/dbraw/zinc/97/38/89/495973889.db2.gz UTAPGOZUCXHADI-OXQOHEQNSA-N 1 0 365.477 3.300 20 10 FGCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000183494530 496008425 /nfs/dbraw/zinc/00/84/25/496008425.db2.gz ZTBAPYCFGOEZKT-HNNXBMFYSA-N 1 0 362.495 3.071 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000180683118 496102326 /nfs/dbraw/zinc/10/23/26/496102326.db2.gz AFDZYSLKCNCYAX-UONOGXRCSA-N 1 0 358.301 3.169 20 10 FGCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000161169599 496119338 /nfs/dbraw/zinc/11/93/38/496119338.db2.gz ZDFLHENVOBFSTA-INIZCTEOSA-N 1 0 368.481 3.154 20 10 FGCDRO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N2CCC(O)CC2)cc1 ZINC000152736965 496239997 /nfs/dbraw/zinc/23/99/97/496239997.db2.gz NUVCLJZAYGRUBK-QGZVFWFLSA-N 1 0 368.525 3.074 20 10 FGCDRO COc1cccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000152885292 496286155 /nfs/dbraw/zinc/28/61/55/496286155.db2.gz HRGHKFNUDFDELS-UHFFFAOYSA-N 1 0 350.459 3.326 20 10 FGCDRO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccc(F)c(F)c1 ZINC000181447523 496400113 /nfs/dbraw/zinc/40/01/13/496400113.db2.gz BTVJKRPDEJRZQL-QGZVFWFLSA-N 1 0 353.340 3.489 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1O ZINC000184675496 496488717 /nfs/dbraw/zinc/48/87/17/496488717.db2.gz ISNCGNMBPAWEAD-UHFFFAOYSA-N 1 0 372.856 3.477 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000178665222 496533044 /nfs/dbraw/zinc/53/30/44/496533044.db2.gz QTWHILFGSXXYBB-CVEARBPZSA-N 1 0 368.481 3.426 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000181814069 496556132 /nfs/dbraw/zinc/55/61/32/496556132.db2.gz GJRCMSGAUUUTPR-IEBWSBKVSA-N 1 0 351.494 3.452 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1OC ZINC000178874336 496601425 /nfs/dbraw/zinc/60/14/25/496601425.db2.gz FSXPZXQZDONBFL-HKUYNNGSSA-N 1 0 351.512 3.376 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000185263124 496720451 /nfs/dbraw/zinc/72/04/51/496720451.db2.gz MRSJTGMMXXBMDV-GFCCVEGCSA-N 1 0 353.871 3.441 20 10 FGCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)ccc1OCC(=O)N(C)C ZINC000273360995 496783515 /nfs/dbraw/zinc/78/35/15/496783515.db2.gz CZBGJHWHBRQIHG-HNNXBMFYSA-N 1 0 372.465 3.027 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1 ZINC000273363383 496784764 /nfs/dbraw/zinc/78/47/64/496784764.db2.gz AXGKEJSBPRPNCR-CQSZACIVSA-N 1 0 360.429 3.227 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c(O)c1C ZINC000273437519 496805874 /nfs/dbraw/zinc/80/58/74/496805874.db2.gz XLIRLQZUJBNMMT-MRXNPFEDSA-N 1 0 356.466 3.327 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000273585202 496847165 /nfs/dbraw/zinc/84/71/65/496847165.db2.gz NQATVXZZVYJDHG-QWHCGFSZSA-N 1 0 366.458 3.193 20 10 FGCDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000269258945 496907124 /nfs/dbraw/zinc/90/71/24/496907124.db2.gz LNVKRZHQUUUTNX-MRXNPFEDSA-N 1 0 353.466 3.171 20 10 FGCDRO CC[N@H+](C)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000574892085 505877004 /nfs/dbraw/zinc/87/70/04/505877004.db2.gz FFDASHIOVXWJJY-HXUWFJFHSA-N 1 0 353.466 3.171 20 10 FGCDRO COc1ccccc1[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000237257810 497210750 /nfs/dbraw/zinc/21/07/50/497210750.db2.gz AMWCUZIHBDOJAS-FQEVSTJZSA-N 1 0 367.493 3.163 20 10 FGCDRO CCCCCC(=O)NC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271079464 497260679 /nfs/dbraw/zinc/26/06/79/497260679.db2.gz IFGRTYAFIDCSJK-UHFFFAOYSA-N 1 0 364.486 3.070 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)cc1OC ZINC000271090780 497261341 /nfs/dbraw/zinc/26/13/41/497261341.db2.gz KYGPKPQXJXUUNL-UHFFFAOYSA-N 1 0 361.442 3.295 20 10 FGCDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193010468 497273553 /nfs/dbraw/zinc/27/35/53/497273553.db2.gz TXMTXQFVAHNCDP-UHFFFAOYSA-N 1 0 354.450 3.082 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000271171523 497280253 /nfs/dbraw/zinc/28/02/53/497280253.db2.gz MBZDJOZNUYGDDW-UHFFFAOYSA-N 1 0 353.466 3.309 20 10 FGCDRO COc1cccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000271182632 497283996 /nfs/dbraw/zinc/28/39/96/497283996.db2.gz PGGAPULQATZNLT-UHFFFAOYSA-N 1 0 354.450 3.137 20 10 FGCDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000275359236 497300884 /nfs/dbraw/zinc/30/08/84/497300884.db2.gz AUXSCJJOKSDYLE-PMACEKPBSA-N 1 0 354.498 3.420 20 10 FGCDRO Nc1ccc(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000237897702 497310227 /nfs/dbraw/zinc/31/02/27/497310227.db2.gz ZZNBJBZCWAHZSX-UHFFFAOYSA-N 1 0 357.885 3.246 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1 ZINC000271904855 497483514 /nfs/dbraw/zinc/48/35/14/497483514.db2.gz YWSPUBPHCBQNHW-HIFRSBDPSA-N 1 0 358.404 3.199 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245715692 497513665 /nfs/dbraw/zinc/51/36/65/497513665.db2.gz CTUMEXXLTHHVCX-UYAOXDASSA-N 1 0 356.514 3.212 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000193991271 497542190 /nfs/dbraw/zinc/54/21/90/497542190.db2.gz QGXVKLKONBFISB-YPAWHYETSA-N 1 0 370.537 3.333 20 10 FGCDRO C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272301844 497591551 /nfs/dbraw/zinc/59/15/51/497591551.db2.gz IWPXJAUSEUEFGH-APWZRJJASA-N 1 0 353.466 3.102 20 10 FGCDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272521907 497650115 /nfs/dbraw/zinc/65/01/15/497650115.db2.gz NSSYCBXLNKIFPB-IEBWSBKVSA-N 1 0 367.493 3.444 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000295953211 497866504 /nfs/dbraw/zinc/86/65/04/497866504.db2.gz ITXWYSSWNXVRFV-NPPFBWRTSA-N 1 0 374.525 3.070 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cc(Br)ccc1O ZINC000280890546 497937615 /nfs/dbraw/zinc/93/76/15/497937615.db2.gz FBERNFBKVFUGGT-CZUORRHYSA-N 1 0 369.303 3.454 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000280968288 497969189 /nfs/dbraw/zinc/96/91/89/497969189.db2.gz IGFGBFQAZXZZHZ-BIBXISHDSA-N 1 0 360.317 3.415 20 10 FGCDRO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ncn1 ZINC000581348450 505967457 /nfs/dbraw/zinc/96/74/57/505967457.db2.gz UCSPMCQUUGDRAA-UHFFFAOYSA-N 1 0 363.465 3.145 20 10 FGCDRO CC(C)(C)OC(=O)N1CCN(C(=O)C=Cc2c[nH]cn2)c2ccccc21 ZINC000292818212 498158060 /nfs/dbraw/zinc/15/80/60/498158060.db2.gz VTIOJEAKKLTBIN-CMDGGOBGSA-N 1 0 354.410 3.211 20 10 FGCDRO OC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000289591240 498207997 /nfs/dbraw/zinc/20/79/97/498207997.db2.gz KJZVQRLGQQMHCP-PWSUYJOCSA-N 1 0 368.193 3.147 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1O ZINC000360717078 498301156 /nfs/dbraw/zinc/30/11/56/498301156.db2.gz VXSMUGZBOUEALE-XJKSGUPXSA-N 1 0 352.413 3.455 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)cc1 ZINC000361109267 498346810 /nfs/dbraw/zinc/34/68/10/498346810.db2.gz SSUWIUNIQVZZSP-IBGZPJMESA-N 1 0 361.493 3.040 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C2(C3CC3)CCOCC2)c1O ZINC000361968711 498446900 /nfs/dbraw/zinc/44/69/00/498446900.db2.gz OVHISVTVCUZZQA-UHFFFAOYSA-N 1 0 356.260 3.212 20 10 FGCDRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000290178945 498453773 /nfs/dbraw/zinc/45/37/73/498453773.db2.gz NJBHDOMXRRGJHS-BTYIYWSLSA-N 1 0 359.466 3.362 20 10 FGCDRO COCc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000297627975 498516991 /nfs/dbraw/zinc/51/69/91/498516991.db2.gz LUFOFZYOCAHELM-CYBMUJFWSA-N 1 0 367.396 3.181 20 10 FGCDRO COc1c(O)c(C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)ccc1[N+](=O)[O-] ZINC000365793349 498642687 /nfs/dbraw/zinc/64/26/87/498642687.db2.gz GEWICWVSSYURPW-HNNXBMFYSA-N 1 0 368.393 3.106 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1O ZINC000282976889 498732750 /nfs/dbraw/zinc/73/27/50/498732750.db2.gz DNJJIWOWEIQCFH-HZMBPMFUSA-N 1 0 353.260 3.007 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Cl)c1[O-] ZINC000287540847 498791928 /nfs/dbraw/zinc/79/19/28/498791928.db2.gz FAQSVJKJSCNRRL-GJZGRUSLSA-N 1 0 362.861 3.015 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1[O-] ZINC000287708833 498843473 /nfs/dbraw/zinc/84/34/73/498843473.db2.gz NZZVDXARBSPUKT-GOSISDBHSA-N 1 0 374.916 3.433 20 10 FGCDRO CC(C)[NH+]1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000298866842 498902539 /nfs/dbraw/zinc/90/25/39/498902539.db2.gz ICNALXHQEGCDCI-UHFFFAOYSA-N 1 0 358.530 3.299 20 10 FGCDRO Cn1cc([C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CC23CCOCC3)cn1 ZINC000295085860 498904341 /nfs/dbraw/zinc/90/43/41/498904341.db2.gz SQJVTNYRUGJLAA-INIZCTEOSA-N 1 0 361.873 3.175 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000363859469 499028033 /nfs/dbraw/zinc/02/80/33/499028033.db2.gz SJWWOYVPOXVNOF-GDBMZVCRSA-N 1 0 356.470 3.276 20 10 FGCDRO COc1ccc(N2CCC(N(C)Cc3ncnn3C(C)(C)C)CC2)cc1 ZINC000366991378 499130475 /nfs/dbraw/zinc/13/04/75/499130475.db2.gz YCSQKJPFZGQVHP-UHFFFAOYSA-N 1 0 357.502 3.143 20 10 FGCDRO CCc1nc(CN2CCC[C@@H]([N@H+](C)[C@H](C)c3cc(OC)ccc3O)C2)no1 ZINC000368030323 499257355 /nfs/dbraw/zinc/25/73/55/499257355.db2.gz MYBOKLKAWSBSDR-HUUCEWRRSA-N 1 0 374.485 3.004 20 10 FGCDRO C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(F)cc1[O-] ZINC000368225994 499275703 /nfs/dbraw/zinc/27/57/03/499275703.db2.gz YQHZOHNMQPKQQZ-INIZCTEOSA-N 1 0 363.521 3.378 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1nccn1C ZINC000368468772 499298990 /nfs/dbraw/zinc/29/89/90/499298990.db2.gz BWCULIVPQSVTCW-ZIAGYGMSSA-N 1 0 368.403 3.496 20 10 FGCDRO COc1cc(O)c(C[N@H+]2Cc3ccccc3[C@H](n3cccn3)C2)cc1OC ZINC000371357960 499315018 /nfs/dbraw/zinc/31/50/18/499315018.db2.gz UKKOORPVHKMHMW-GOSISDBHSA-N 1 0 365.433 3.211 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368655286 499317950 /nfs/dbraw/zinc/31/79/50/499317950.db2.gz JIOCECHMSPWTLD-MRXNPFEDSA-N 1 0 366.465 3.288 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1O ZINC000369591955 499423893 /nfs/dbraw/zinc/42/38/93/499423893.db2.gz PAOIXIJPZJCNJC-SUMWQHHRSA-N 1 0 361.511 3.166 20 10 FGCDRO C[NH+]1CCC(n2ccc(NCc3ccc(N4CCCCC4)cc3)n2)CC1 ZINC000373262111 499460374 /nfs/dbraw/zinc/46/03/74/499460374.db2.gz SYNRHSPFQGWDKT-UHFFFAOYSA-N 1 0 353.514 3.174 20 10 FGCDRO C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000373520698 499474548 /nfs/dbraw/zinc/47/45/48/499474548.db2.gz ISFMEFGYJCGSMS-FQVISZRSSA-N 1 0 357.542 3.315 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000375256972 499499830 /nfs/dbraw/zinc/49/98/30/499499830.db2.gz WJWJFTFGDMOMMZ-HNNXBMFYSA-N 1 0 372.440 3.449 20 10 FGCDRO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000375399275 499514037 /nfs/dbraw/zinc/51/40/37/499514037.db2.gz AOEMATFBWIGSRP-FSSWDIPSSA-N 1 0 358.526 3.429 20 10 FGCDRO CNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000377698480 499721665 /nfs/dbraw/zinc/72/16/65/499721665.db2.gz PEFQOYHTJHHRCF-UHFFFAOYSA-N 1 0 363.505 3.207 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCSC2)C1 ZINC000436045792 501063247 /nfs/dbraw/zinc/06/32/47/501063247.db2.gz PVQCCKVOKXXUDF-INIZCTEOSA-N 1 0 371.550 3.372 20 10 FGCDRO CCN(C[C@@H](C)OC)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000462863182 502604162 /nfs/dbraw/zinc/60/41/62/502604162.db2.gz ROPCJCWHIOPUCG-QGZVFWFLSA-N 1 0 371.525 3.291 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCc4ccccc4O3)C1)[C@H](O)CO2 ZINC000530102850 503838582 /nfs/dbraw/zinc/83/85/82/503838582.db2.gz BIOLUVBMFNQIMK-DENIHFKCSA-N 1 0 367.445 3.178 20 10 FGCDRO CC[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[N@H+](C)Cc1ccccc1 ZINC000559276099 504817351 /nfs/dbraw/zinc/81/73/51/504817351.db2.gz NSMCNBKBPQZXGS-LJQANCHMSA-N 1 0 367.493 3.389 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)ccc21 ZINC000566405302 505165709 /nfs/dbraw/zinc/16/57/09/505165709.db2.gz VWTUWKUFMIMJCR-CRAIPNDOSA-N 1 0 357.498 3.022 20 10 FGCDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000275441030 527325337 /nfs/dbraw/zinc/32/53/37/527325337.db2.gz FWTBKOXKKFARJA-LEWJYISDSA-N 1 0 354.498 3.420 20 10 FGCDRO CC(C)NC(=O)C[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000008184026 695581263 /nfs/dbraw/zinc/58/12/63/695581263.db2.gz GMZXTIYRTAZFNX-UHFFFAOYSA-N 1 0 365.271 3.264 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000080729333 700322051 /nfs/dbraw/zinc/32/20/51/700322051.db2.gz UFWYCQWPYBAPCO-HNNXBMFYSA-N 1 0 351.491 3.270 20 10 FGCDRO CCc1nn(C)c(Cl)c1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000092380629 700435443 /nfs/dbraw/zinc/43/54/43/700435443.db2.gz YOGFNHAYSYFNON-UHFFFAOYSA-N 1 0 362.905 3.357 20 10 FGCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(Cl)ccc2O)c1 ZINC000093361497 700450651 /nfs/dbraw/zinc/45/06/51/700450651.db2.gz RLDKTNSXIRCORB-UHFFFAOYSA-N 1 0 351.830 3.057 20 10 FGCDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000121040398 700664453 /nfs/dbraw/zinc/66/44/53/700664453.db2.gz BCRNXQPBFBGEDT-NVXWUHKLSA-N 1 0 368.905 3.023 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Br)ccc1O ZINC000130305108 700799189 /nfs/dbraw/zinc/79/91/89/700799189.db2.gz NJLMMGRSDJTQPC-WFASDCNBSA-N 1 0 350.256 3.409 20 10 FGCDRO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000138682766 704874955 /nfs/dbraw/zinc/87/49/55/704874955.db2.gz PTOYHWKGBBGIFH-LSDHHAIUSA-N 1 0 350.413 3.132 20 10 FGCDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCSc1nccs1 ZINC000151769160 704937061 /nfs/dbraw/zinc/93/70/61/704937061.db2.gz OCEHKGCUXBHSQC-CQSZACIVSA-N 1 0 356.561 3.189 20 10 FGCDRO C[NH+](C)CC[C@@H](NC(=O)NCCCSc1nccs1)C(C)(C)C ZINC000153668109 705007882 /nfs/dbraw/zinc/00/78/82/705007882.db2.gz WWTINLCLIKAJQQ-CYBMUJFWSA-N 1 0 358.577 3.291 20 10 FGCDRO CCCC[N@H+](Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160790800 705261545 /nfs/dbraw/zinc/26/15/45/705261545.db2.gz RRCQPNUHIPEFNB-IBGZPJMESA-N 1 0 352.544 3.322 20 10 FGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000163417881 705313917 /nfs/dbraw/zinc/31/39/17/705313917.db2.gz KJGSOUXPDMPDCU-KRWDZBQOSA-N 1 0 358.404 3.057 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000171409030 705383847 /nfs/dbraw/zinc/38/38/47/705383847.db2.gz DQZWVLNUGJIEML-SWLSCSKDSA-N 1 0 363.483 3.125 20 10 FGCDRO [O-]c1c(Cl)cc(Cl)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000179626389 705707845 /nfs/dbraw/zinc/70/78/45/705707845.db2.gz MYFUNJFTAZINQK-UHFFFAOYSA-N 1 0 359.297 3.243 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CN1c1c(F)cccc1F ZINC000180221439 705732376 /nfs/dbraw/zinc/73/23/76/705732376.db2.gz ACNOYOLEWYILMF-LBPRGKRZSA-N 1 0 352.768 3.219 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000182451290 705843852 /nfs/dbraw/zinc/84/38/52/705843852.db2.gz TVVGKDJHQURXGW-SECBINFHSA-N 1 0 354.328 3.107 20 10 FGCDRO C[NH+](C)CC1(CNC(=O)NCCCSc2nccs2)CCCC1 ZINC000185039844 712682519 /nfs/dbraw/zinc/68/25/19/712682519.db2.gz JAPFEYLWKBBJBU-UHFFFAOYSA-N 1 0 356.561 3.047 20 10 FGCDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000190789806 712822810 /nfs/dbraw/zinc/82/28/10/712822810.db2.gz SFZFMMSHVFGGQS-UHFFFAOYSA-N 1 0 356.539 3.381 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(C)s3)CC2)cc1 ZINC000237271605 713590247 /nfs/dbraw/zinc/59/02/47/713590247.db2.gz IHXVHFMCVAVXBM-UHFFFAOYSA-N 1 0 359.539 3.367 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164848 724397134 /nfs/dbraw/zinc/39/71/34/724397134.db2.gz ZVTUAEIFJMNFJZ-KGLIPLIRSA-N 1 0 350.459 3.136 20 10 FGCDRO CCOc1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)c(O)c1 ZINC000749926974 722748067 /nfs/dbraw/zinc/74/80/67/722748067.db2.gz SAVCHWDOLOMHFM-KRWDZBQOSA-N 1 0 360.841 3.339 20 10 FGCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000794717029 723542516 /nfs/dbraw/zinc/54/25/16/723542516.db2.gz WNWZRKGOZBPFNQ-KRWDZBQOSA-N 1 0 363.255 3.005 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCCOC1 ZINC000780714330 724493978 /nfs/dbraw/zinc/49/39/78/724493978.db2.gz SBJRYOFUAGRHSA-KYHPRHEASA-N 1 0 350.478 3.344 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000780892645 724512120 /nfs/dbraw/zinc/51/21/20/724512120.db2.gz JTTLVABFPABKER-KBPBESRZSA-N 1 0 350.459 3.231 20 10 FGCDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804734696 724546594 /nfs/dbraw/zinc/54/65/94/724546594.db2.gz WNIBGPFSUPYPCY-UHFFFAOYSA-N 1 0 363.255 3.146 20 10 FGCDRO C[C@@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000804738108 724548133 /nfs/dbraw/zinc/54/81/33/724548133.db2.gz CBKZZUIORDKYGU-UTUOFQBUSA-N 1 0 355.276 3.032 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000783504627 724759177 /nfs/dbraw/zinc/75/91/77/724759177.db2.gz IAMLYBVOTWPWTD-CYBMUJFWSA-N 1 0 368.524 3.335 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)c1O ZINC000700781189 722409809 /nfs/dbraw/zinc/40/98/09/722409809.db2.gz TUGDOPMSGFIMTG-ZFWWWQNUSA-N 1 0 350.459 3.278 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]Cc1ccc(Br)cc1F)OCO2 ZINC000732231025 722482882 /nfs/dbraw/zinc/48/28/82/722482882.db2.gz FQJKDYWLEYQXIF-UHFFFAOYSA-N 1 0 354.175 3.312 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]CC(=O)Nc2cc(Br)ccc2C)c1 ZINC000733326936 722495682 /nfs/dbraw/zinc/49/56/82/722495682.db2.gz FYXFCMFBTYZLKW-UHFFFAOYSA-N 1 0 363.255 3.500 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000733325686 722495684 /nfs/dbraw/zinc/49/56/84/722495684.db2.gz PYZNVKIKMHBLTA-UHFFFAOYSA-N 1 0 370.877 3.109 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000733328178 722495694 /nfs/dbraw/zinc/49/56/94/722495694.db2.gz PZACBWBTYDWEFU-UHFFFAOYSA-N 1 0 363.255 3.500 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc([S@](C)=O)cc3)CC2)cc1 ZINC000749323834 722724846 /nfs/dbraw/zinc/72/48/46/722724846.db2.gz STXJPFQHZFNXHE-VWLOTQADSA-N 1 0 358.507 3.191 20 10 FGCDRO CC(=O)NC1CCC([N@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC000753591363 722905807 /nfs/dbraw/zinc/90/58/07/722905807.db2.gz RBYZBURZNWTARX-UHFFFAOYSA-N 1 0 355.276 3.034 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1O ZINC000756502697 722965806 /nfs/dbraw/zinc/96/58/06/722965806.db2.gz KSGVSSBSVCCDBM-ONGXEEELSA-N 1 0 367.209 3.442 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000758524322 722991093 /nfs/dbraw/zinc/99/10/93/722991093.db2.gz JAEBYNAOGVLFKH-OAHLLOKOSA-N 1 0 364.283 3.404 20 10 FGCDRO O=C(NCCCSc1nccs1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000758624884 722992595 /nfs/dbraw/zinc/99/25/95/722992595.db2.gz QTFGGAPHOVZQJQ-UHFFFAOYSA-N 1 0 360.468 3.028 20 10 FGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@H](C)C1 ZINC000792193467 723320223 /nfs/dbraw/zinc/32/02/23/723320223.db2.gz WUQMMHPAJMHFEV-WMZOPIPTSA-N 1 0 350.478 3.299 20 10 FGCDRO CO[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@@H]1OC ZINC000792714032 723360253 /nfs/dbraw/zinc/36/02/53/723360253.db2.gz SDWOVAXUYJRPSK-CALCHBBNSA-N 1 0 366.255 3.154 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763696864 723361491 /nfs/dbraw/zinc/36/14/91/723361491.db2.gz MJDMFAXBFCRWFA-CYBMUJFWSA-N 1 0 354.244 3.072 20 10 FGCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831415 723372540 /nfs/dbraw/zinc/37/25/40/723372540.db2.gz GMMWJPXNDHWBRT-CQSZACIVSA-N 1 0 360.420 3.256 20 10 FGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000792920474 723382760 /nfs/dbraw/zinc/38/27/60/723382760.db2.gz XKILCJYLZREESD-UOVPBQLFSA-N 1 0 350.478 3.487 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000793038036 723394798 /nfs/dbraw/zinc/39/47/98/723394798.db2.gz OEDVHWDMHJBARW-WMLDXEAASA-N 1 0 358.404 3.199 20 10 FGCDRO CC[C@H](C)[C@@H](OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689964 723461169 /nfs/dbraw/zinc/46/11/69/723461169.db2.gz QXOYEPNRTPSQSX-QANKJYHBSA-N 1 0 368.905 3.187 20 10 FGCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1ccc(C)cc1O ZINC000794815956 723547514 /nfs/dbraw/zinc/54/75/14/723547514.db2.gz MMJAIVSJJTWDKU-HNNXBMFYSA-N 1 0 368.524 3.090 20 10 FGCDRO CC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(C)cc1O ZINC000794816711 723547619 /nfs/dbraw/zinc/54/76/19/723547619.db2.gz OGSRKFZMDBNPKY-HNNXBMFYSA-N 1 0 368.524 3.124 20 10 FGCDRO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384015 723571376 /nfs/dbraw/zinc/57/13/76/723571376.db2.gz VKRQBSLQUXUWIG-HOTGVXAUSA-N 1 0 351.922 3.169 20 10 FGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000768134666 723647913 /nfs/dbraw/zinc/64/79/13/723647913.db2.gz SNXDLNQGAVQUIW-UHFFFAOYSA-N 1 0 361.511 3.146 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC000768248987 723651649 /nfs/dbraw/zinc/65/16/49/723651649.db2.gz NAYNQDAMAMJNFI-OAHLLOKOSA-N 1 0 351.466 3.333 20 10 FGCDRO C[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443190 723657646 /nfs/dbraw/zinc/65/76/46/723657646.db2.gz RCQFVNFXIOZTAO-INIZCTEOSA-N 1 0 364.239 3.213 20 10 FGCDRO COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768466490 723658451 /nfs/dbraw/zinc/65/84/51/723658451.db2.gz QUKGHYUMTXKVMK-OAHLLOKOSA-N 1 0 350.459 3.150 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000770376634 723712294 /nfs/dbraw/zinc/71/22/94/723712294.db2.gz WIEOBQWLQOFDAF-QWHCGFSZSA-N 1 0 370.287 3.412 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1O ZINC000771062952 723727045 /nfs/dbraw/zinc/72/70/45/723727045.db2.gz CNDPDBGUQGTHQG-OAHLLOKOSA-N 1 0 360.841 3.146 20 10 FGCDRO Cc1csc(C2(NCc3ccc(N4CC[NH+](C)CC4)cc3)CCC2)n1 ZINC000771819593 723743158 /nfs/dbraw/zinc/74/31/58/723743158.db2.gz USYDNJZXKSCXAO-UHFFFAOYSA-N 1 0 356.539 3.372 20 10 FGCDRO C[C@@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773160846 723777991 /nfs/dbraw/zinc/77/79/91/723777991.db2.gz DFXCEFPDTAQWRH-KDOFPFPSSA-N 1 0 360.527 3.477 20 10 FGCDRO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773406411 723784225 /nfs/dbraw/zinc/78/42/25/723784225.db2.gz CQAZDJAGJKWBQU-YESZJQIVSA-N 1 0 350.890 3.418 20 10 FGCDRO CC1=C(Br)CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000797604706 723841533 /nfs/dbraw/zinc/84/15/33/723841533.db2.gz BLAZZBSLZJULOS-UHFFFAOYSA-N 1 0 364.331 3.313 20 10 FGCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000774488944 723899438 /nfs/dbraw/zinc/89/94/38/723899438.db2.gz SJPZETNXIKUXHW-FFKNIBCLSA-N 1 0 358.276 3.044 20 10 FGCDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774914833 723941868 /nfs/dbraw/zinc/94/18/68/723941868.db2.gz WZAHBIJRUSHVCV-HUUCEWRRSA-N 1 0 352.431 3.335 20 10 FGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000798955188 723979199 /nfs/dbraw/zinc/97/91/99/723979199.db2.gz MAEXQTQLIWAWOR-UHFFFAOYSA-N 1 0 350.821 3.311 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)ccc1O ZINC000775526459 723998265 /nfs/dbraw/zinc/99/82/65/723998265.db2.gz JFDIMHPMOINRTD-INIZCTEOSA-N 1 0 372.918 3.043 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1O ZINC000775668102 724020636 /nfs/dbraw/zinc/02/06/36/724020636.db2.gz RCVBIDKUCBVSLQ-OAHLLOKOSA-N 1 0 369.303 3.200 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000801734860 724329238 /nfs/dbraw/zinc/32/92/38/724329238.db2.gz KPKNBPXZTJVZHB-QGZVFWFLSA-N 1 0 366.255 3.377 20 10 FGCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3sccc3Cl)cc2)C1 ZINC000785432468 724912008 /nfs/dbraw/zinc/91/20/08/724912008.db2.gz TTZAUXNZYAQTHT-CQSZACIVSA-N 1 0 363.914 3.393 20 10 FGCDRO CCn1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c1=O ZINC000788607254 725075508 /nfs/dbraw/zinc/07/55/08/725075508.db2.gz JZJOXFVLEVZCIM-NSHDSACASA-N 1 0 351.244 3.187 20 10 FGCDRO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000788618850 725076480 /nfs/dbraw/zinc/07/64/80/725076480.db2.gz KRGREAKFVQCICG-OFQRWUPVSA-N 1 0 358.276 3.389 20 10 FGCDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788755908 725086021 /nfs/dbraw/zinc/08/60/21/725086021.db2.gz SYNFYPOBAUCDCI-ZIAGYGMSSA-N 1 0 359.436 3.088 20 10 FGCDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000808421613 725200333 /nfs/dbraw/zinc/20/03/33/725200333.db2.gz ABAHHOSHOQJQDV-CYBMUJFWSA-N 1 0 364.795 3.469 20 10 FGCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808706150 725214417 /nfs/dbraw/zinc/21/44/17/725214417.db2.gz DPGXZRUYEYYNOV-CYBMUJFWSA-N 1 0 354.878 3.032 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000809697617 725260099 /nfs/dbraw/zinc/26/00/99/725260099.db2.gz KFVMPTDGMARRRU-INIZCTEOSA-N 1 0 351.878 3.124 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000809713175 725261695 /nfs/dbraw/zinc/26/16/95/725261695.db2.gz KSMOEORYQIEZIE-UHFFFAOYSA-N 1 0 350.191 3.231 20 10 FGCDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810245010 725299436 /nfs/dbraw/zinc/29/94/36/725299436.db2.gz MYNLNFBXWAUHIP-SJORKVTESA-N 1 0 351.510 3.433 20 10 FGCDRO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810261271 725300403 /nfs/dbraw/zinc/30/04/03/725300403.db2.gz IRMONKLLIAUBKV-SJORKVTESA-N 1 0 351.510 3.433 20 10 FGCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000819760272 728942959 /nfs/dbraw/zinc/94/29/59/728942959.db2.gz CDLRQJHTKPYELV-INIZCTEOSA-N 1 0 351.487 3.291 20 10 FGCDRO COc1cccc(C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1O ZINC000811507362 725370872 /nfs/dbraw/zinc/37/08/72/725370872.db2.gz ZMECZBBXDRUEMV-HNNXBMFYSA-N 1 0 352.475 3.430 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557007 727083869 /nfs/dbraw/zinc/08/38/69/727083869.db2.gz KHTWYYUAZCGJCU-ZDUSSCGKSA-N 1 0 359.436 3.088 20 10 FGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000816511157 727169692 /nfs/dbraw/zinc/16/96/92/727169692.db2.gz PZDANWIRLHAGBY-HNNXBMFYSA-N 1 0 352.356 3.140 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000816641835 727183937 /nfs/dbraw/zinc/18/39/37/727183937.db2.gz HOAMEZTYNIXFAC-SFHVURJKSA-N 1 0 358.869 3.287 20 10 FGCDRO C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817899391 727287569 /nfs/dbraw/zinc/28/75/69/727287569.db2.gz LMLVUBMZWHOHQS-MPGHIAIKSA-N 1 0 353.457 3.377 20 10 FGCDRO C[C@](O)(C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000819120099 727349625 /nfs/dbraw/zinc/34/96/25/727349625.db2.gz KRRTYWAEHGXWHO-ABAIWWIYSA-N 1 0 368.346 3.160 20 10 FGCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000819291439 727365012 /nfs/dbraw/zinc/36/50/12/727365012.db2.gz VDPZSYPTPUCTGY-KBPBESRZSA-N 1 0 358.935 3.099 20 10 FGCDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNc1ccccc1OCC(F)F ZINC000819461012 727377131 /nfs/dbraw/zinc/37/71/31/727377131.db2.gz YVFVLWIQVDRGQG-INIZCTEOSA-N 1 0 350.409 3.235 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)cc1OC ZINC000822497922 729182403 /nfs/dbraw/zinc/18/24/03/729182403.db2.gz OJJRTPNIHQFSDO-UHFFFAOYSA-N 1 0 353.459 3.257 20 10 FGCDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823540952 729287887 /nfs/dbraw/zinc/28/78/87/729287887.db2.gz GHSJVLHVYYCOPT-UHFFFAOYSA-N 1 0 359.455 3.115 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@@H](C)O1 ZINC000823666759 729297417 /nfs/dbraw/zinc/29/74/17/729297417.db2.gz RAFLYLILQMAHJS-PBFPGSCMSA-N 1 0 358.404 3.198 20 10 FGCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824037304 729317066 /nfs/dbraw/zinc/31/70/66/729317066.db2.gz IUXWMUPNMUQHJE-RBUKOAKNSA-N 1 0 357.523 3.389 20 10 FGCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)C(C)C ZINC000824683445 729354877 /nfs/dbraw/zinc/35/48/77/729354877.db2.gz JTNIRYIRICJGCB-AWEZNQCLSA-N 1 0 357.292 3.056 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1O ZINC000824846109 729361800 /nfs/dbraw/zinc/36/18/00/729361800.db2.gz PWZBXNOSSVWWDS-GDBMZVCRSA-N 1 0 370.287 3.050 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1O ZINC000825338850 729379451 /nfs/dbraw/zinc/37/94/51/729379451.db2.gz VPELHLDAWBKGGD-OAHLLOKOSA-N 1 0 366.255 3.377 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1F ZINC000825342269 729379625 /nfs/dbraw/zinc/37/96/25/729379625.db2.gz BEFUTXQOHJKEEV-KRWDZBQOSA-N 1 0 367.262 3.477 20 10 FGCDRO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1O)c1ccc(F)cc1 ZINC000825395717 729381677 /nfs/dbraw/zinc/38/16/77/729381677.db2.gz LJBKRECXAPFSAQ-MRXNPFEDSA-N 1 0 354.219 3.291 20 10 FGCDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1c(F)ccc(O)c1O ZINC000825607262 729389203 /nfs/dbraw/zinc/38/92/03/729389203.db2.gz YWYDMVGMOSLQEG-UHFFFAOYSA-N 1 0 350.434 3.011 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1Cl ZINC000825763004 729394457 /nfs/dbraw/zinc/39/44/57/729394457.db2.gz XMANWWMLSOCYGO-UHFFFAOYSA-N 1 0 364.795 3.245 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1Cl ZINC000825885114 729398260 /nfs/dbraw/zinc/39/82/60/729398260.db2.gz CXCAKSLZGIKRLJ-OAHLLOKOSA-N 1 0 351.878 3.124 20 10 FGCDRO COc1cc(C[N@H+](CCO)C2CCSCC2)c(O)c(C(C)(C)C)c1 ZINC000826096718 729405187 /nfs/dbraw/zinc/40/51/87/729405187.db2.gz APSHXNQULLJLMH-UHFFFAOYSA-N 1 0 353.528 3.388 20 10 FGCDRO Cc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000829481472 729483917 /nfs/dbraw/zinc/48/39/17/729483917.db2.gz NOIASHDQBDAMOS-IBGZPJMESA-N 1 0 364.555 3.384 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2sccc2Br)cc1 ZINC000832272259 729701339 /nfs/dbraw/zinc/70/13/39/729701339.db2.gz DDNJQKHZQURQIW-CYBMUJFWSA-N 1 0 368.300 3.006 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000832286060 729702568 /nfs/dbraw/zinc/70/25/68/729702568.db2.gz VQJNJXFZCNFQPW-MRXNPFEDSA-N 1 0 351.372 3.201 20 10 FGCDRO CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1cc(Cl)ccc1O ZINC000834856514 729839155 /nfs/dbraw/zinc/83/91/55/729839155.db2.gz RQJHTYJOQXBSNP-INIZCTEOSA-N 1 0 357.878 3.299 20 10 FGCDRO CN(C)c1ccc(/C=C/CN2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000835055504 729853670 /nfs/dbraw/zinc/85/36/70/729853670.db2.gz VDPHJVBPDZXIHV-RTRPANQVSA-N 1 0 351.441 3.002 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c(C(F)(F)F)c1 ZINC000835075518 729856695 /nfs/dbraw/zinc/85/66/95/729856695.db2.gz YRZVKUNKPCHTOU-HOCLYGCPSA-N 1 0 355.404 3.014 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000840881255 730187372 /nfs/dbraw/zinc/18/73/72/730187372.db2.gz HSOULSNYWWXUIP-MRXNPFEDSA-N 1 0 350.528 3.295 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC000840882431 730187890 /nfs/dbraw/zinc/18/78/90/730187890.db2.gz VRGWZCUKGGLVDL-UHFFFAOYSA-N 1 0 367.898 3.449 20 10 FGCDRO CCS(=O)(=O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000840889129 730188756 /nfs/dbraw/zinc/18/87/56/730188756.db2.gz OSMALSOLNJSZLK-LJQANCHMSA-N 1 0 361.507 3.481 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000840963240 730198373 /nfs/dbraw/zinc/19/83/73/730198373.db2.gz MMCNJMBMYQNDMP-FXAWDEMLSA-N 1 0 360.523 3.262 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1O ZINC000840975216 730200044 /nfs/dbraw/zinc/20/00/44/730200044.db2.gz UPZSNHFPCSXPFB-OAHLLOKOSA-N 1 0 352.862 3.031 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCc2ccc(N)cc2)c1O ZINC000841034570 730205064 /nfs/dbraw/zinc/20/50/64/730205064.db2.gz HUVOAXLYLVKHJO-UHFFFAOYSA-N 1 0 351.244 3.078 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(F)c(Br)c2)cc1 ZINC000841039928 730205377 /nfs/dbraw/zinc/20/53/77/730205377.db2.gz FADAMYIGSSYKMQ-QGZVFWFLSA-N 1 0 366.278 3.444 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000841046150 730205975 /nfs/dbraw/zinc/20/59/75/730205975.db2.gz XCPUDNGXDRJAOW-INIZCTEOSA-N 1 0 353.388 3.283 20 10 FGCDRO COc1cc(Cl)cc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1O ZINC000841104177 730211844 /nfs/dbraw/zinc/21/18/44/730211844.db2.gz NVXKTPQLRKMOTP-GOEBONIOSA-N 1 0 350.821 3.120 20 10 FGCDRO Nc1ccc(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000841637475 730261102 /nfs/dbraw/zinc/26/11/02/730261102.db2.gz SXXTYCKBJWLXKX-QGZVFWFLSA-N 1 0 358.511 3.009 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)cc1O ZINC000841753665 730270988 /nfs/dbraw/zinc/27/09/88/730270988.db2.gz MZAISEXLOGLINT-CXAGYDPISA-N 1 0 359.857 3.282 20 10 FGCDRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841896873 730283901 /nfs/dbraw/zinc/28/39/01/730283901.db2.gz OCDORWGAWISVEL-ZIAGYGMSSA-N 1 0 352.910 3.113 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCSc2ccccc21 ZINC000843349533 730609520 /nfs/dbraw/zinc/60/95/20/730609520.db2.gz CJLGSFNOOJZGKD-UHFFFAOYSA-N 1 0 353.491 3.037 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)NCc1cccs1 ZINC000843428180 730619784 /nfs/dbraw/zinc/61/97/84/730619784.db2.gz QXVVVUCCAZBMSW-AWEZNQCLSA-N 1 0 368.886 3.300 20 10 FGCDRO C[NH+](C)CCOc1cccc(NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000844508390 730727712 /nfs/dbraw/zinc/72/77/12/730727712.db2.gz XKIGQFYIUPJAFF-UHFFFAOYSA-N 1 0 363.845 3.308 20 10 FGCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000845971053 730913452 /nfs/dbraw/zinc/91/34/52/730913452.db2.gz GXILUBUIJYYFLM-UPJWGTAASA-N 1 0 357.397 3.419 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000846143777 730931818 /nfs/dbraw/zinc/93/18/18/730931818.db2.gz HQKQTWMPYISASV-UONOGXRCSA-N 1 0 350.459 3.451 20 10 FGCDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)N1CCOCC1 ZINC000846139014 730931844 /nfs/dbraw/zinc/93/18/44/730931844.db2.gz ODDDTPQTWZEAIU-QAPCUYQASA-N 1 0 350.503 3.188 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN(CC[NH+](C)C)Cc2ccccn2)c1O ZINC000846944282 730997797 /nfs/dbraw/zinc/99/77/97/730997797.db2.gz URGHSOWOAFOZDW-UHFFFAOYSA-N 1 0 361.873 3.207 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)c1O ZINC000848518690 731174306 /nfs/dbraw/zinc/17/43/06/731174306.db2.gz MQRQJJCGPFYUKC-NILFDRSVSA-N 1 0 369.303 3.441 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCCn2ccnc2)c1O ZINC000848519799 731174863 /nfs/dbraw/zinc/17/48/63/731174863.db2.gz FBIXPHMVNTXREK-GFCCVEGCSA-N 1 0 368.275 3.491 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2c(C)nn(C)c2C)c1O ZINC000848524846 731175255 /nfs/dbraw/zinc/17/52/55/731175255.db2.gz IIKARXXKHCQYFQ-VIFPVBQESA-N 1 0 368.275 3.364 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCn2ccnc2C)c1O ZINC000848525449 731175302 /nfs/dbraw/zinc/17/53/02/731175302.db2.gz NZILWFXNHZONBB-SNVBAGLBSA-N 1 0 354.248 3.019 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000848535816 731177566 /nfs/dbraw/zinc/17/75/66/731177566.db2.gz HBTGCNDBBLOBSR-MADCSZMMSA-N 1 0 372.181 3.127 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1O)[C@H]1CCCO1 ZINC000848549010 731179810 /nfs/dbraw/zinc/17/98/10/731179810.db2.gz IXSJAASBOPMAND-DDTOSNHZSA-N 1 0 374.275 3.008 20 10 FGCDRO CCc1cccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000848895632 731218361 /nfs/dbraw/zinc/21/83/61/731218361.db2.gz UUHKJEOUNXBZMY-AWEZNQCLSA-N 1 0 362.495 3.056 20 10 FGCDRO COCc1csc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000850034245 731311581 /nfs/dbraw/zinc/31/15/81/731311581.db2.gz JANOIIKUFQCCEF-UHFFFAOYSA-N 1 0 350.459 3.160 20 10 FGCDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000850350415 731346565 /nfs/dbraw/zinc/34/65/65/731346565.db2.gz RRRAPZSYHQRORJ-CQSZACIVSA-N 1 0 358.276 3.458 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](OC)C2CCCC2)c1O ZINC000850401093 731352804 /nfs/dbraw/zinc/35/28/04/731352804.db2.gz UOBCINLLBHNRNP-OAHLLOKOSA-N 1 0 358.276 3.458 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850419375 731354975 /nfs/dbraw/zinc/35/49/75/731354975.db2.gz DGPDESVFHZLUEM-UHFFFAOYSA-N 1 0 353.304 3.366 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc2ccccc2c1O ZINC000850519158 731368253 /nfs/dbraw/zinc/36/82/53/731368253.db2.gz LFKFAZWZTGMPHA-LLVKDONJSA-N 1 0 361.385 3.173 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2nccn2C)c1O ZINC000850572315 731374728 /nfs/dbraw/zinc/37/47/28/731374728.db2.gz JYQMFUBFRAQNHV-NXEZZACHSA-N 1 0 354.248 3.309 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc(Cl)c1[O-] ZINC000854232610 731806534 /nfs/dbraw/zinc/80/65/34/731806534.db2.gz VLQSGLZPMORIPG-KRWDZBQOSA-N 1 0 367.921 3.077 20 10 FGCDRO CC(C)CC(=O)N1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858118342 732182207 /nfs/dbraw/zinc/18/22/07/732182207.db2.gz XJAIDGBDRBXQLJ-UHFFFAOYSA-N 1 0 369.303 3.281 20 10 FGCDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858138747 732185010 /nfs/dbraw/zinc/18/50/10/732185010.db2.gz JTKPLSJYCJDDNQ-BLLLJJGKSA-N 1 0 350.256 3.409 20 10 FGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858472962 732218417 /nfs/dbraw/zinc/21/84/17/732218417.db2.gz MCLGVFBYBCXCPD-UKRRQHHQSA-N 1 0 364.873 3.089 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858546266 732226122 /nfs/dbraw/zinc/22/61/22/732226122.db2.gz QSINWPRIYUSZHR-ZUEVXXBESA-N 1 0 350.890 3.395 20 10 FGCDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000862242000 732796165 /nfs/dbraw/zinc/79/61/65/732796165.db2.gz RSKFDNQHYRJZJA-CMPLNLGQSA-N 1 0 354.166 3.042 20 10 FGCDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348910 732812496 /nfs/dbraw/zinc/81/24/96/732812496.db2.gz YMNNOJIUOHFBOW-TVQRCGJNSA-N 1 0 368.193 3.290 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000862353322 732814060 /nfs/dbraw/zinc/81/40/60/732814060.db2.gz KNVZJZIELZMHFK-XNJGSVPQSA-N 1 0 370.287 3.313 20 10 FGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000862382946 732820612 /nfs/dbraw/zinc/82/06/12/732820612.db2.gz FBIYHMIZGZYAKA-ZDUSSCGKSA-N 1 0 353.457 3.144 20 10 FGCDRO Fc1cc(C[NH2+]Cc2ccc(C(F)F)nc2)ccc1N1CCOCC1 ZINC000865418044 733195484 /nfs/dbraw/zinc/19/54/84/733195484.db2.gz HLCJKRYIYNMBHS-UHFFFAOYSA-N 1 0 351.372 3.285 20 10 FGCDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000872118465 735591413 /nfs/dbraw/zinc/59/14/13/735591413.db2.gz ZZEDSTRTHDGPGC-HUUCEWRRSA-N 1 0 366.889 3.171 20 10 FGCDRO Cc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000873147644 735726191 /nfs/dbraw/zinc/72/61/91/735726191.db2.gz BUKZUEUVLTZLKZ-LJQANCHMSA-N 1 0 360.523 3.459 20 10 FGCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000876714318 736135697 /nfs/dbraw/zinc/13/56/97/736135697.db2.gz ZLIMZLFEMAQVAV-INIZCTEOSA-N 1 0 351.372 3.088 20 10 FGCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000876946486 736166461 /nfs/dbraw/zinc/16/64/61/736166461.db2.gz SCZAHRFRINTOJW-MQNRADLISA-N 1 0 372.421 3.475 20 10 FGCDRO C[C@H]([NH2+]Cc1ncc(I)s1)c1ccccc1O ZINC000877758153 736715100 /nfs/dbraw/zinc/71/51/00/736715100.db2.gz KWXZIHMODFYVSA-QMMMGPOBSA-N 1 0 360.220 3.304 20 10 FGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)s1 ZINC000886324922 739244087 /nfs/dbraw/zinc/24/40/87/739244087.db2.gz LXMXNOJHLKBHHL-UHFFFAOYSA-N 1 0 357.523 3.356 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc3ccccc3s2)c(O)c1OC ZINC000893140953 742116078 /nfs/dbraw/zinc/11/60/78/742116078.db2.gz HIOXAFYDGOZQEV-CQSZACIVSA-N 1 0 359.447 3.447 20 10 FGCDRO C[NH+](C)CC[C@H](NCc1ccc(Br)cc1O)c1cccnc1 ZINC000896716378 742588656 /nfs/dbraw/zinc/58/86/56/742588656.db2.gz IAGSMXAQCVFIFE-INIZCTEOSA-N 1 0 364.287 3.332 20 10 FGCDRO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000897451103 742680041 /nfs/dbraw/zinc/68/00/41/742680041.db2.gz KKDGBLWBTBWFCI-UHFFFAOYSA-N 1 0 350.478 3.205 20 10 FGCDRO Cc1cccc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)c1O ZINC000898168615 742752082 /nfs/dbraw/zinc/75/20/82/742752082.db2.gz KUMLHZVOCZIOCG-KRWDZBQOSA-N 1 0 350.256 3.460 20 10 FGCDRO CSCc1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898449634 742795456 /nfs/dbraw/zinc/79/54/56/742795456.db2.gz INTSHEVZVASRKV-KRWDZBQOSA-N 1 0 364.584 3.465 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cc(Br)ccc1O ZINC000903198703 743821385 /nfs/dbraw/zinc/82/13/85/743821385.db2.gz PDZFXASGMMLQOD-LLVKDONJSA-N 1 0 350.260 3.467 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000903234938 743827048 /nfs/dbraw/zinc/82/70/48/743827048.db2.gz SRGMMKSGTAPWIU-HNNXBMFYSA-N 1 0 362.495 3.158 20 10 FGCDRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000903259761 743831155 /nfs/dbraw/zinc/83/11/55/743831155.db2.gz PATDMHQIFIVWDH-FTRWYGJKSA-N 1 0 350.478 3.254 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)ccc1O ZINC000903390664 743843759 /nfs/dbraw/zinc/84/37/59/743843759.db2.gz SPAYQUPUIATUDT-XHDPSFHLSA-N 1 0 356.260 3.143 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c(O)c1 ZINC000903423735 743848031 /nfs/dbraw/zinc/84/80/31/743848031.db2.gz GBRZYSIVCUJQNC-OAHLLOKOSA-N 1 0 362.495 3.256 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)c1O ZINC000903439603 743852155 /nfs/dbraw/zinc/85/21/55/743852155.db2.gz GGXPUAXTIHNOFI-FZZIBODNSA-N 1 0 356.260 3.239 20 10 FGCDRO CN(C)c1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)c(C(F)(F)F)c1 ZINC000903956088 743905285 /nfs/dbraw/zinc/90/52/85/743905285.db2.gz GROIUCUPDISNBZ-GFCCVEGCSA-N 1 0 351.363 3.106 20 10 FGCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924762091 759381271 /nfs/dbraw/zinc/38/12/71/759381271.db2.gz XSNFPBZJBXXZSL-UZLBHIALSA-N 1 0 352.494 3.206 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1ccc(C(F)(F)F)cc1O ZINC000927156773 759909407 /nfs/dbraw/zinc/90/94/07/759909407.db2.gz QIJAXAJFMJUYTP-CWRNSKLLSA-N 1 0 359.388 3.382 20 10 FGCDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000932656011 761210616 /nfs/dbraw/zinc/21/06/16/761210616.db2.gz NCSOOMNXPWVXKM-UHFFFAOYSA-N 1 0 358.404 3.460 20 10 FGCDRO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386970 494388349 /nfs/dbraw/zinc/38/83/49/494388349.db2.gz NXPVPKBPBLBZOZ-SFHVURJKSA-N 1 0 367.493 3.291 20 10 FGCDRO COc1cccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1O ZINC000073666600 494410216 /nfs/dbraw/zinc/41/02/16/494410216.db2.gz CKLWACJNYRYDQQ-SFHVURJKSA-N 1 0 369.465 3.037 20 10 FGCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000073721916 494417701 /nfs/dbraw/zinc/41/77/01/494417701.db2.gz KNCLKIZRVUHWPR-IBGZPJMESA-N 1 0 358.530 3.160 20 10 FGCDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092361874 494607335 /nfs/dbraw/zinc/60/73/35/494607335.db2.gz AEUFVINCVIDGDC-UHFFFAOYSA-N 1 0 373.541 3.042 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3c[nH]c4ncccc34)CC1)OCO2 ZINC000091955517 494734044 /nfs/dbraw/zinc/73/40/44/494734044.db2.gz KCBPHRFUBYOSMR-UHFFFAOYSA-N 1 0 351.406 3.377 20 10 FGCDRO FC(F)(F)Oc1ccc(N2CCC([NH2+]CC3=CCCOC3)CC2)cc1 ZINC000126772429 494835576 /nfs/dbraw/zinc/83/55/76/494835576.db2.gz ANJMBWXSKLSNBO-UHFFFAOYSA-N 1 0 356.388 3.490 20 10 FGCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000122788092 495031369 /nfs/dbraw/zinc/03/13/69/495031369.db2.gz CVRMUWFGJNDYEM-OAHLLOKOSA-N 1 0 371.481 3.277 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000120102141 495307329 /nfs/dbraw/zinc/30/73/29/495307329.db2.gz YQSDBUXMGFTSAV-UHFFFAOYSA-N 1 0 373.541 3.040 20 10 FGCDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000154527199 495643949 /nfs/dbraw/zinc/64/39/49/495643949.db2.gz IXACIHAYZDJLSU-QUCCMNQESA-N 1 0 372.421 3.015 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)ccc1O ZINC000186027481 495826931 /nfs/dbraw/zinc/82/69/31/495826931.db2.gz CXZFWYJIQYUBGE-SNVBAGLBSA-N 1 0 364.305 3.019 20 10 FGCDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc4ccccc4c3O)C2=O)n(C)n1 ZINC000186083287 495848604 /nfs/dbraw/zinc/84/86/04/495848604.db2.gz YQEMTAYZULVGJS-KBXCAEBGSA-N 1 0 364.449 3.043 20 10 FGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186164407 495879937 /nfs/dbraw/zinc/87/99/37/495879937.db2.gz LFQBREOWPUBDLR-HUUCEWRRSA-N 1 0 363.479 3.304 20 10 FGCDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000183223209 495887179 /nfs/dbraw/zinc/88/71/79/495887179.db2.gz ZCGAHRQZCOFKTE-UQOODKLHSA-N 1 0 360.473 3.271 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(Br)ccc1O ZINC000155586735 496004564 /nfs/dbraw/zinc/00/45/64/496004564.db2.gz JPAYDVJSCLCOQI-TZMCWYRMSA-N 1 0 365.275 3.110 20 10 FGCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161366826 496161037 /nfs/dbraw/zinc/16/10/37/496161037.db2.gz AUXDXKSKUXKVKB-BTYIYWSLSA-N 1 0 374.456 3.055 20 10 FGCDRO Cc1nn(C)cc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000162976005 496444027 /nfs/dbraw/zinc/44/40/27/496444027.db2.gz QVGGIVGLXKKUOO-HNNXBMFYSA-N 1 0 350.413 3.089 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000187527544 496478585 /nfs/dbraw/zinc/47/85/85/496478585.db2.gz XRWNODSMDSVCDR-FQEVSTJZSA-N 1 0 371.412 3.161 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000184965112 496602823 /nfs/dbraw/zinc/60/28/23/496602823.db2.gz NVQGDNFBTDKHMY-QGZVFWFLSA-N 1 0 367.493 3.454 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000165638059 496663914 /nfs/dbraw/zinc/66/39/14/496663914.db2.gz LEJHIPQJQHJANJ-UHFFFAOYSA-N 1 0 367.493 3.455 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000185273594 496722259 /nfs/dbraw/zinc/72/22/59/496722259.db2.gz CUBLRXCQXVIZIK-HXUWFJFHSA-N 1 0 372.488 3.364 20 10 FGCDRO COCCCN1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185314241 496727870 /nfs/dbraw/zinc/72/78/70/496727870.db2.gz WEYMZOPZEZFMJD-CYBMUJFWSA-N 1 0 371.319 3.306 20 10 FGCDRO COCc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000268827204 496796838 /nfs/dbraw/zinc/79/68/38/496796838.db2.gz ZHYUXFDQRSHISV-GASCZTMLSA-N 1 0 362.445 3.469 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c(O)c1C ZINC000273407082 496796858 /nfs/dbraw/zinc/79/68/58/496796858.db2.gz OREWWUMPGTXHSL-KRWDZBQOSA-N 1 0 368.477 3.332 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000273418095 496800546 /nfs/dbraw/zinc/80/05/46/496800546.db2.gz RJXYMENVYLRVTJ-LLVKDONJSA-N 1 0 354.859 3.268 20 10 FGCDRO COc1ccc(O)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000273545533 496835548 /nfs/dbraw/zinc/83/55/48/496835548.db2.gz ZIRNOIMDXWVEPO-HOCLYGCPSA-N 1 0 356.470 3.109 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000189101841 497009186 /nfs/dbraw/zinc/00/91/86/497009186.db2.gz WJOISHOLTURTCV-DNVCBOLYSA-N 1 0 354.450 3.161 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270209509 497077784 /nfs/dbraw/zinc/07/77/84/497077784.db2.gz ZXFKBWNJOYAKRX-QUCCMNQESA-N 1 0 366.465 3.459 20 10 FGCDRO COc1c([O-])c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475949 497127701 /nfs/dbraw/zinc/12/77/01/497127701.db2.gz ILYUSQKICNGRMP-UKRRQHHQSA-N 1 0 363.458 3.052 20 10 FGCDRO C[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000237076087 497188388 /nfs/dbraw/zinc/18/83/88/497188388.db2.gz NIDZGXWULMHLLT-UHFFFAOYSA-N 1 0 355.482 3.174 20 10 FGCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000274978584 497210504 /nfs/dbraw/zinc/21/05/04/497210504.db2.gz WVEJRFBWCNVFCB-HNNXBMFYSA-N 1 0 354.450 3.055 20 10 FGCDRO COc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCCC2)cc1 ZINC000237487607 497244629 /nfs/dbraw/zinc/24/46/29/497244629.db2.gz SCNDFTVWWBKIBF-OAQYLSRUSA-N 1 0 367.493 3.163 20 10 FGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Br)cn1 ZINC000279906845 497583917 /nfs/dbraw/zinc/58/39/17/497583917.db2.gz WJNONDLRQRGWTO-VIFPVBQESA-N 1 0 351.200 3.129 20 10 FGCDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272633042 497684934 /nfs/dbraw/zinc/68/49/34/497684934.db2.gz KQLCTRAXMRCPND-GRWKNNQQSA-N 1 0 366.461 3.138 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000272646228 497689563 /nfs/dbraw/zinc/68/95/63/497689563.db2.gz PAGHTWQVKRZXAP-UONOGXRCSA-N 1 0 350.459 3.136 20 10 FGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191331183 497782768 /nfs/dbraw/zinc/78/27/68/497782768.db2.gz UAEOEHCWQLBNNK-NSHDSACASA-N 1 0 350.825 3.102 20 10 FGCDRO Oc1cc2c(cc1C[NH2+][C@@H](c1ccc3c(c1)OCCO3)C1CC1)OCO2 ZINC000263666362 497807140 /nfs/dbraw/zinc/80/71/40/497807140.db2.gz IPUGCFNRGJZJGR-HXUWFJFHSA-N 1 0 355.390 3.133 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280886076 497936719 /nfs/dbraw/zinc/93/67/19/497936719.db2.gz ORYIENBSNWOCIS-SZMVWBNQSA-N 1 0 350.478 3.112 20 10 FGCDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1)[C@H]1CCCO1 ZINC000296192975 497951501 /nfs/dbraw/zinc/95/15/01/497951501.db2.gz YRJASTGONKIZSE-IEBWSBKVSA-N 1 0 352.434 3.287 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000296667462 498144745 /nfs/dbraw/zinc/14/47/45/498144745.db2.gz FTQFGVIZRRSNQR-ROUUACIJSA-N 1 0 360.523 3.119 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)ccc1OC ZINC000292844177 498167717 /nfs/dbraw/zinc/16/77/17/498167717.db2.gz BIZINXWOSLRZHB-UHFFFAOYSA-N 1 0 370.493 3.358 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000285775550 498197896 /nfs/dbraw/zinc/19/78/96/498197896.db2.gz TUYIREKCFQRQDV-INIZCTEOSA-N 1 0 366.458 3.023 20 10 FGCDRO C[C@H]([NH2+][C@H]1C[C@H](CO)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000364938628 498219677 /nfs/dbraw/zinc/21/96/77/498219677.db2.gz JRUAFCFIPPGLLJ-CECAUBDESA-N 1 0 352.478 3.395 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1O ZINC000281805024 498276119 /nfs/dbraw/zinc/27/61/19/498276119.db2.gz VORYVBSGBPGZAL-LJQANCHMSA-N 1 0 361.825 3.008 20 10 FGCDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000362020045 498453894 /nfs/dbraw/zinc/45/38/94/498453894.db2.gz GKLVGNNSQRUFDY-INIZCTEOSA-N 1 0 361.445 3.013 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1O ZINC000282976897 498732551 /nfs/dbraw/zinc/73/25/51/498732551.db2.gz DNJJIWOWEIQCFH-QMTHXVAHSA-N 1 0 353.260 3.007 20 10 FGCDRO COCCOC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000294718207 498782555 /nfs/dbraw/zinc/78/25/55/498782555.db2.gz FFZRWMHJJZOTPX-UHFFFAOYSA-N 1 0 371.477 3.361 20 10 FGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000291198612 498839519 /nfs/dbraw/zinc/83/95/19/498839519.db2.gz MSQROBGSDQHSTA-UHFFFAOYSA-N 1 0 362.420 3.224 20 10 FGCDRO CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000295163482 498929505 /nfs/dbraw/zinc/92/95/05/498929505.db2.gz HHWSSXYDWVEYGU-ZCPGDWHISA-N 1 0 364.555 3.033 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)cc1 ZINC000363722114 498960002 /nfs/dbraw/zinc/96/00/02/498960002.db2.gz JUNYRCXEEYKGFX-AWEZNQCLSA-N 1 0 370.497 3.266 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1cc2c(cc1O)CCCC2 ZINC000363868294 499031680 /nfs/dbraw/zinc/03/16/80/499031680.db2.gz RJBQTKINVQMKIT-DNVCBOLYSA-N 1 0 365.477 3.231 20 10 FGCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCS1(=O)=O ZINC000295608276 499062111 /nfs/dbraw/zinc/06/21/11/499062111.db2.gz DOKKPFNFLKHQAD-KSSFIOAISA-N 1 0 364.536 3.050 20 10 FGCDRO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@@H](CC)c3ccccc3O)CC2)n1 ZINC000367321324 499180821 /nfs/dbraw/zinc/18/08/21/499180821.db2.gz FYLJMADXJRQRLL-HNNXBMFYSA-N 1 0 358.442 3.018 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c(O)c1 ZINC000367343621 499184901 /nfs/dbraw/zinc/18/49/01/499184901.db2.gz NURJOOYLNUIZNS-MRXNPFEDSA-N 1 0 372.465 3.416 20 10 FGCDRO COc1ccc(N2CCCN(C(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000370764098 499252542 /nfs/dbraw/zinc/25/25/42/499252542.db2.gz VMNUANDJURMJGM-UWJYYQICSA-N 1 0 367.493 3.070 20 10 FGCDRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c(O)c1 ZINC000370769663 499252899 /nfs/dbraw/zinc/25/28/99/499252899.db2.gz CUEFQPCFVHHYJZ-UHFFFAOYSA-N 1 0 372.465 3.477 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000368329076 499285863 /nfs/dbraw/zinc/28/58/63/499285863.db2.gz CBXJFZSYPVEBFM-OAHLLOKOSA-N 1 0 354.450 3.362 20 10 FGCDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000368566515 499308114 /nfs/dbraw/zinc/30/81/14/499308114.db2.gz LIQNTAOQQGMASS-SFHVURJKSA-N 1 0 370.541 3.445 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000371332537 499311395 /nfs/dbraw/zinc/31/13/95/499311395.db2.gz QHWUTXDIMHFRBD-VXGBXAGGSA-N 1 0 356.260 3.022 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1OC ZINC000371360196 499315262 /nfs/dbraw/zinc/31/52/62/499315262.db2.gz DDJSNUDMRBXKER-UHFFFAOYSA-N 1 0 355.434 3.431 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1O ZINC000368654958 499317930 /nfs/dbraw/zinc/31/79/30/499317930.db2.gz FIRZWXVSDKXIKM-INIZCTEOSA-N 1 0 366.465 3.288 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3c[nH]c4nccnc34)CC2)cc1 ZINC000368666065 499319778 /nfs/dbraw/zinc/31/97/78/499319778.db2.gz JVMGGHWMCSENRF-UHFFFAOYSA-N 1 0 351.454 3.019 20 10 FGCDRO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000371397271 499321006 /nfs/dbraw/zinc/32/10/06/499321006.db2.gz ZCKJEIARPSVMSY-UHFFFAOYSA-N 1 0 354.450 3.104 20 10 FGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)cc1NC(C)=O ZINC000368726623 499325706 /nfs/dbraw/zinc/32/57/06/499325706.db2.gz GVUAXIFXNBIQCE-AWEZNQCLSA-N 1 0 353.466 3.497 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000371559015 499341904 /nfs/dbraw/zinc/34/19/04/499341904.db2.gz DTJNGOUGIFSEDZ-GOSISDBHSA-N 1 0 372.509 3.406 20 10 FGCDRO Cc1cn2c(n1)[C@H](CNC(=O)NCc1c(O)ccc3c1CCCC3)CCC2 ZINC000372244088 499412311 /nfs/dbraw/zinc/41/23/11/499412311.db2.gz UPBYSTZFZRCFOR-INIZCTEOSA-N 1 0 368.481 3.153 20 10 FGCDRO COc1c(O)c(C[NH2+][C@@H]2CCCc3cnn(C(C)C)c32)ccc1[N+](=O)[O-] ZINC000375716331 499548430 /nfs/dbraw/zinc/54/84/30/499548430.db2.gz AZSSGNDUOURGGI-CQSZACIVSA-N 1 0 360.414 3.254 20 10 FGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(F)ccc1O ZINC000376132839 499585653 /nfs/dbraw/zinc/58/56/53/499585653.db2.gz RTWGHORYQSXZJM-NSHDSACASA-N 1 0 365.836 3.468 20 10 FGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376507685 499613613 /nfs/dbraw/zinc/61/36/13/499613613.db2.gz XLWFJEOVKJPTLD-CYBMUJFWSA-N 1 0 370.287 3.172 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)c(O)c1C ZINC000376573722 499619656 /nfs/dbraw/zinc/61/96/56/499619656.db2.gz HUWPTLXXDAGSPM-MAUKXSAKSA-N 1 0 354.450 3.300 20 10 FGCDRO Cc1cnn(C)c1C[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000377142646 499665843 /nfs/dbraw/zinc/66/58/43/499665843.db2.gz OZCAMIDOWKEGFV-CQSZACIVSA-N 1 0 368.403 3.243 20 10 FGCDRO CCOCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435558535 500992256 /nfs/dbraw/zinc/99/22/56/500992256.db2.gz MWQJUBQKBUPPDY-UHFFFAOYSA-N 1 0 371.525 3.341 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000472227396 502276960 /nfs/dbraw/zinc/27/69/60/502276960.db2.gz WDKURNDDSKRQHX-KRWDZBQOSA-N 1 0 354.498 3.257 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000472230198 502278449 /nfs/dbraw/zinc/27/84/49/502278449.db2.gz BJURJSMFRNWHGW-MRXNPFEDSA-N 1 0 356.514 3.358 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)ccc21 ZINC000467030188 502763957 /nfs/dbraw/zinc/76/39/57/502763957.db2.gz DFGFQUNFQVCQMN-XOBRGWDASA-N 1 0 369.509 3.117 20 10 FGCDRO CCOCc1cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)ccc1OC ZINC000527741606 503923322 /nfs/dbraw/zinc/92/33/22/503923322.db2.gz GCCKKRZHPAVJLD-MRXNPFEDSA-N 1 0 357.376 3.321 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000529666545 504755483 /nfs/dbraw/zinc/75/54/83/504755483.db2.gz UTEAQWFECRQFLP-OAHLLOKOSA-N 1 0 364.804 3.088 20 10 FGCDRO CCOc1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000825648815 608519529 /nfs/dbraw/zinc/51/95/29/608519529.db2.gz DGNGWFBLHAEFAY-UHFFFAOYSA-N 1 0 365.437 3.136 20 10 FGCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(OCC)c1O ZINC000825317973 608547413 /nfs/dbraw/zinc/54/74/13/608547413.db2.gz FSYSFHJTLRJZJG-UHFFFAOYSA-N 1 0 367.453 3.383 20 10 FGCDRO CC(C)COC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000089145293 700382770 /nfs/dbraw/zinc/38/27/70/700382770.db2.gz XIHMDDXQZRAFLD-UHFFFAOYSA-N 1 0 351.466 3.238 20 10 FGCDRO COc1ccc(C[N@H+](CCO)Cc2cc(Cl)ccc2O)c(OC)c1 ZINC000093363738 700450643 /nfs/dbraw/zinc/45/06/43/700450643.db2.gz MRNRMMRPQAYKOD-UHFFFAOYSA-N 1 0 351.830 3.057 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000119477013 700630406 /nfs/dbraw/zinc/63/04/06/700630406.db2.gz JZDQFOIHUJJWBK-CABCVRRESA-N 1 0 350.459 3.326 20 10 FGCDRO Oc1ccccc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000134230215 704816572 /nfs/dbraw/zinc/81/65/72/704816572.db2.gz TUGSSLNBPOETQR-UHFFFAOYSA-N 1 0 350.212 3.216 20 10 FGCDRO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000151756212 704936539 /nfs/dbraw/zinc/93/65/39/704936539.db2.gz PPVNTYMWYPOJSV-LBPRGKRZSA-N 1 0 353.392 3.324 20 10 FGCDRO C[NH+](C)CCN(C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000154635964 705043097 /nfs/dbraw/zinc/04/30/97/705043097.db2.gz SQUSVXLIYKARLA-UHFFFAOYSA-N 1 0 356.561 3.141 20 10 FGCDRO Cc1nn(C)cc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000161732794 705281680 /nfs/dbraw/zinc/28/16/80/705281680.db2.gz XZZMDAJCKYGMBE-UHFFFAOYSA-N 1 0 350.413 3.089 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163179911 705310188 /nfs/dbraw/zinc/31/01/88/705310188.db2.gz XJEXYXXCKONWLB-FOIQADDNSA-N 1 0 350.478 3.254 20 10 FGCDRO COc1cc(N2CC[NH+](Cc3sccc3C)CC2)cc(OC)c1OC ZINC000184751852 712675882 /nfs/dbraw/zinc/67/58/82/712675882.db2.gz MHEWSKNFYWLPSS-UHFFFAOYSA-N 1 0 362.495 3.405 20 10 FGCDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)N1CCOCC1 ZINC000184974264 712680115 /nfs/dbraw/zinc/68/01/15/712680115.db2.gz SJIWVYHFJXFDTH-HNAYVOBHSA-N 1 0 350.503 3.188 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000185232579 712689150 /nfs/dbraw/zinc/68/91/50/712689150.db2.gz OABDYKKHJPKIBK-OAHLLOKOSA-N 1 0 364.486 3.152 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1O ZINC000186414118 712718479 /nfs/dbraw/zinc/71/84/79/712718479.db2.gz OILSKFLKYRXNHL-GOSISDBHSA-N 1 0 360.479 3.173 20 10 FGCDRO COc1ccc(N2CCC[N@H+](CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000188848313 712778716 /nfs/dbraw/zinc/77/87/16/712778716.db2.gz WFLKVGIJKJUKPZ-UHFFFAOYSA-N 1 0 364.383 3.124 20 10 FGCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)NC(=O)OC(C)(C)C ZINC000194946118 713540461 /nfs/dbraw/zinc/54/04/61/713540461.db2.gz BWSGWCFQJXQBTD-JTQLQIEISA-N 1 0 359.264 3.158 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]CCCn2cc(Br)cn2)c1O ZINC000314837394 713805928 /nfs/dbraw/zinc/80/59/28/713805928.db2.gz SXOLXRJBCRPIEC-UHFFFAOYSA-N 1 0 374.666 3.193 20 10 FGCDRO CCOc1cccc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000802652381 724397486 /nfs/dbraw/zinc/39/74/86/724397486.db2.gz FKXRFGZRWUCJMU-UHFFFAOYSA-N 1 0 362.495 3.299 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1F ZINC000749926082 722748046 /nfs/dbraw/zinc/74/80/46/722748046.db2.gz IBXOGIUJWUQFKC-KRWDZBQOSA-N 1 0 361.848 3.440 20 10 FGCDRO C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978218 727289918 /nfs/dbraw/zinc/28/99/18/727289918.db2.gz YNXBIRAUQNBSRY-FXQIFTODSA-N 1 0 366.097 3.304 20 10 FGCDRO C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000705923590 722412057 /nfs/dbraw/zinc/41/20/57/722412057.db2.gz PUDCJGFLMRKRJZ-ZDUSSCGKSA-N 1 0 356.438 3.065 20 10 FGCDRO CN(CC[NH2+]Cc1c(O)cccc1Br)C(=O)OC(C)(C)C ZINC000706809509 722412111 /nfs/dbraw/zinc/41/21/11/722412111.db2.gz CPNRYAMAPQCVKU-UHFFFAOYSA-N 1 0 359.264 3.111 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)s3)cc2F)CC1 ZINC000730192901 722466000 /nfs/dbraw/zinc/46/60/00/722466000.db2.gz PJGDOBROALYTEI-UHFFFAOYSA-N 1 0 361.486 3.268 20 10 FGCDRO C[C@H]([NH2+]C1(CNC(=O)C2=CC(=O)CS2)CCOCC1)c1ccccc1 ZINC000733368758 722496380 /nfs/dbraw/zinc/49/63/80/722496380.db2.gz BDGADDKPCKJPND-AWEZNQCLSA-N 1 0 360.479 3.084 20 10 FGCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000740006411 722534671 /nfs/dbraw/zinc/53/46/71/722534671.db2.gz MIHOVHFOLYYTLN-QFBILLFUSA-N 1 0 360.885 3.018 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000740000443 722534683 /nfs/dbraw/zinc/53/46/83/722534683.db2.gz CMKVKIZLZNZHQW-IRXDYDNUSA-N 1 0 351.510 3.261 20 10 FGCDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000750056302 722753155 /nfs/dbraw/zinc/75/31/55/722753155.db2.gz GSFLZBZRUXPLCM-QGZVFWFLSA-N 1 0 368.905 3.181 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000756582417 722967214 /nfs/dbraw/zinc/96/72/14/722967214.db2.gz INUUUXAFIIXHFW-GLJUWKHASA-N 1 0 356.457 3.458 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756633225 722968010 /nfs/dbraw/zinc/96/80/10/722968010.db2.gz GMLLHKABJHUHQF-MLGOLLRUSA-N 1 0 363.454 3.414 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2O ZINC000756760737 722969650 /nfs/dbraw/zinc/96/96/50/722969650.db2.gz NIJFTNUOJXSOCD-YUSALJHKSA-N 1 0 360.351 3.223 20 10 FGCDRO Cc1cc(C(=O)CSCC[NH+](C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000756919282 722971884 /nfs/dbraw/zinc/97/18/84/722971884.db2.gz IAIVCWOEIBDWIF-UHFFFAOYSA-N 1 0 360.479 3.300 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[NH+](CCc3cccs3)CC2)c1O ZINC000761191029 723131535 /nfs/dbraw/zinc/13/15/35/723131535.db2.gz HMNGJFIEQYEXGM-UHFFFAOYSA-N 1 0 366.914 3.476 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000793279667 723420431 /nfs/dbraw/zinc/42/04/31/723420431.db2.gz HEJLHJVEHKYSDC-UHFFFAOYSA-N 1 0 352.544 3.370 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000793609571 723454355 /nfs/dbraw/zinc/45/43/55/723454355.db2.gz OWGSAHTUONABGZ-UONOGXRCSA-N 1 0 356.260 3.307 20 10 FGCDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038639 723472165 /nfs/dbraw/zinc/47/21/65/723472165.db2.gz NIARKOIYDLKYKV-YESZJQIVSA-N 1 0 363.933 3.454 20 10 FGCDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1OC ZINC000765263928 723499000 /nfs/dbraw/zinc/49/90/00/723499000.db2.gz ZVVDTXGCPATAAZ-OALUTQOASA-N 1 0 350.478 3.346 20 10 FGCDRO CC(C)[NH+](CCNC(=O)NCc1cccc(Br)c1O)C(C)C ZINC000765448639 723513943 /nfs/dbraw/zinc/51/39/43/723513943.db2.gz ZHRXBGVQGRDTKM-UHFFFAOYSA-N 1 0 372.307 3.073 20 10 FGCDRO C[C@@H](C(=O)NCc1cccc(Br)c1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000765733203 723536285 /nfs/dbraw/zinc/53/62/85/723536285.db2.gz VGICGQTXXABITI-UTUOFQBUSA-N 1 0 355.276 3.032 20 10 FGCDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794831349 723548115 /nfs/dbraw/zinc/54/81/15/723548115.db2.gz CXRVLWVGNUYWDY-GDBMZVCRSA-N 1 0 352.906 3.378 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1O ZINC000767926717 723640161 /nfs/dbraw/zinc/64/01/61/723640161.db2.gz FOQQSOFXKVSQDT-ZDUSSCGKSA-N 1 0 356.260 3.355 20 10 FGCDRO O=C(/C=C\c1ccco1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911119 723671966 /nfs/dbraw/zinc/67/19/66/723671966.db2.gz CCUZORLQNLCZHB-QKIRZYONSA-N 1 0 360.841 3.433 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH+]1CCC(C)CC1 ZINC000769149157 723678014 /nfs/dbraw/zinc/67/80/14/723678014.db2.gz BDMJOERJIBZVCS-UHFFFAOYSA-N 1 0 369.303 3.235 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC000769512681 723688276 /nfs/dbraw/zinc/68/82/76/723688276.db2.gz NKRPWOPOYSBCAK-HNNXBMFYSA-N 1 0 350.459 3.280 20 10 FGCDRO CCC1(O)CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000772466152 723760135 /nfs/dbraw/zinc/76/01/35/723760135.db2.gz IDJDVDRJNZWJKO-XRTORIHISA-N 1 0 350.478 3.397 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773068504 723775979 /nfs/dbraw/zinc/77/59/79/723775979.db2.gz OKBVWTLZEIZJGD-AWEZNQCLSA-N 1 0 350.459 3.016 20 10 FGCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000773843060 723829420 /nfs/dbraw/zinc/82/94/20/723829420.db2.gz ZEDQXOPRXRCGHK-OAHLLOKOSA-N 1 0 361.511 3.365 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)ccc1O ZINC000774398617 723888839 /nfs/dbraw/zinc/88/88/39/723888839.db2.gz YMPRCRNRMUDWNC-JQWIXIFHSA-N 1 0 357.347 3.450 20 10 FGCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798004131 723897519 /nfs/dbraw/zinc/89/75/19/723897519.db2.gz KARPXJKUFNQVHF-LFPIHBKWSA-N 1 0 370.946 3.128 20 10 FGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000775143779 723963662 /nfs/dbraw/zinc/96/36/62/723963662.db2.gz BYYIVPYYAXCCMU-NOZJJQNGSA-N 1 0 368.193 3.290 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc2nsnc21)c1ccc(N2CCOCC2)cc1 ZINC000775255340 723973774 /nfs/dbraw/zinc/97/37/74/723973774.db2.gz MVYUBFHHSMZQLY-AWEZNQCLSA-N 1 0 354.479 3.379 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000775521529 723997814 /nfs/dbraw/zinc/99/78/14/723997814.db2.gz YFKSMMDISFKSCP-NWDGAFQWSA-N 1 0 350.768 3.250 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cc(Br)ccc1O ZINC000775526927 723998188 /nfs/dbraw/zinc/99/81/88/723998188.db2.gz ODOBWNXWBVRITF-TZMCWYRMSA-N 1 0 355.276 3.205 20 10 FGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000775555072 723999744 /nfs/dbraw/zinc/99/97/44/723999744.db2.gz IEENIDWIPHEFJA-SQWLQELKSA-N 1 0 358.276 3.389 20 10 FGCDRO Cc1cc(Cl)cc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000775666375 724020049 /nfs/dbraw/zinc/02/00/49/724020049.db2.gz XBFQNQXJARQKDK-CALCHBBNSA-N 1 0 365.949 3.344 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1O ZINC000776178057 724116213 /nfs/dbraw/zinc/11/62/13/724116213.db2.gz ZQIAVKUSTMEDLR-HNNXBMFYSA-N 1 0 369.303 3.200 20 10 FGCDRO COCCN1CC[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC000800276707 724174164 /nfs/dbraw/zinc/17/41/64/724174164.db2.gz QCLNKBMUCAEDLD-AEFFLSMTSA-N 1 0 365.949 3.387 20 10 FGCDRO Fc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1F ZINC000784628936 724869143 /nfs/dbraw/zinc/86/91/43/724869143.db2.gz JMKYWSMQILTUPB-UHFFFAOYSA-N 1 0 350.384 3.273 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000784680380 724872263 /nfs/dbraw/zinc/87/22/63/724872263.db2.gz PWNXYDDUXBFREA-INIZCTEOSA-N 1 0 350.256 3.238 20 10 FGCDRO CC1(C)CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449145 725028837 /nfs/dbraw/zinc/02/88/37/725028837.db2.gz JFHSOVVUBALPFF-RDJZCZTQSA-N 1 0 366.889 3.084 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(O)c1 ZINC000788672907 725080195 /nfs/dbraw/zinc/08/01/95/725080195.db2.gz UBCWYNLVEVEJIL-AWEZNQCLSA-N 1 0 368.524 3.042 20 10 FGCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000805734784 725090429 /nfs/dbraw/zinc/09/04/29/725090429.db2.gz VMUDKUCGDNTNKZ-IBGZPJMESA-N 1 0 360.885 3.074 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000808422790 725200371 /nfs/dbraw/zinc/20/03/71/725200371.db2.gz JLBTZGAUSQPPFM-HNNXBMFYSA-N 1 0 350.256 3.156 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000808429943 725200874 /nfs/dbraw/zinc/20/08/74/725200874.db2.gz AHPUEEQFDQFQAE-GOSISDBHSA-N 1 0 360.885 3.042 20 10 FGCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809691629 725259284 /nfs/dbraw/zinc/25/92/84/725259284.db2.gz PIUGZSRBMCTNQP-AWEZNQCLSA-N 1 0 371.275 3.255 20 10 FGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H]1C ZINC000809713371 725261688 /nfs/dbraw/zinc/26/16/88/725261688.db2.gz NLUZRRFNZGKKCJ-SUNKGSAMSA-N 1 0 356.260 3.222 20 10 FGCDRO COc1cc(O)c(C[N@H+](CCN(C)C)CC2CCCCC2)cc1OC ZINC000809736611 725263925 /nfs/dbraw/zinc/26/39/25/725263925.db2.gz BOMMHSLJZHMSIZ-UHFFFAOYSA-N 1 0 350.503 3.353 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000809770524 725267061 /nfs/dbraw/zinc/26/70/61/725267061.db2.gz BRTCSNTXFDPADF-BBRMVZONSA-N 1 0 350.459 3.278 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810225419 725298076 /nfs/dbraw/zinc/29/80/76/725298076.db2.gz CYHABFJPCJZQGY-MFKMUULPSA-N 1 0 353.406 3.275 20 10 FGCDRO C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+](C2CCC2)C1 ZINC000813681423 726904592 /nfs/dbraw/zinc/90/45/92/726904592.db2.gz ORMWKUQMTAOXHX-CQSZACIVSA-N 1 0 368.572 3.141 20 10 FGCDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815559401 727083942 /nfs/dbraw/zinc/08/39/42/727083942.db2.gz FZCJGGLNMSKOSR-KBPBESRZSA-N 1 0 359.436 3.088 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000816630749 727182324 /nfs/dbraw/zinc/18/23/24/727182324.db2.gz QIESOFMLPQXQHI-AWEZNQCLSA-N 1 0 356.260 3.043 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000816676028 727188469 /nfs/dbraw/zinc/18/84/69/727188469.db2.gz QSTLNECXSUTLNS-HNNXBMFYSA-N 1 0 358.276 3.410 20 10 FGCDRO CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817978785 727290119 /nfs/dbraw/zinc/29/01/19/727290119.db2.gz DKKZKPSLFDMYSC-VXNVDRBHSA-N 1 0 366.097 3.305 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3cccc(Cl)c3)C2)cc1 ZINC000819379407 727372036 /nfs/dbraw/zinc/37/20/36/727372036.db2.gz HMWPHZGFASJUFU-FOIQADDNSA-N 1 0 360.885 3.498 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000822659007 729206269 /nfs/dbraw/zinc/20/62/69/729206269.db2.gz IRYZOOAPINQIIT-AWEZNQCLSA-N 1 0 369.303 3.376 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000824023042 729316538 /nfs/dbraw/zinc/31/65/38/729316538.db2.gz GUFRHZQBMWTREG-GOSISDBHSA-N 1 0 364.536 3.051 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]CCn2cc(Br)ccc2=O)c1O ZINC000824543566 729346564 /nfs/dbraw/zinc/34/65/64/729346564.db2.gz LHARJNQLGZHXCS-UHFFFAOYSA-N 1 0 371.662 3.068 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000825050825 729369064 /nfs/dbraw/zinc/36/90/64/729369064.db2.gz VBYJFXZBXHSSQT-UHFFFAOYSA-N 1 0 364.239 3.258 20 10 FGCDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825129945 729372054 /nfs/dbraw/zinc/37/20/54/729372054.db2.gz IOBNMMSSNPPMDL-UZLBHIALSA-N 1 0 360.523 3.356 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124811 729372075 /nfs/dbraw/zinc/37/20/75/729372075.db2.gz YRMCJJWLQHVPRL-RNCFNFMXSA-N 1 0 368.193 3.208 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1Cl ZINC000825173000 729373671 /nfs/dbraw/zinc/37/36/71/729373671.db2.gz FPVCQFTUPYNFRX-UHFFFAOYSA-N 1 0 353.871 3.308 20 10 FGCDRO CC(C)[C@H](C[NH2+]Cc1ccc(Br)cc1O)c1ccnn1C ZINC000825666471 729390727 /nfs/dbraw/zinc/39/07/27/729390727.db2.gz KRRIIUXYTRWPAC-AWEZNQCLSA-N 1 0 352.276 3.418 20 10 FGCDRO C[NH+](C)CCN(Cc1ccccn1)Cc1ccc(Br)cc1O ZINC000825917127 729399280 /nfs/dbraw/zinc/39/92/80/729399280.db2.gz WQZWZCZUHQEOKI-UHFFFAOYSA-N 1 0 364.287 3.114 20 10 FGCDRO CN(C)C(=O)C1([NH2+]Cc2ccc(Br)cc2O)CCCCC1 ZINC000826047892 729403700 /nfs/dbraw/zinc/40/37/00/729403700.db2.gz CSRYKEWUEAZVQZ-UHFFFAOYSA-N 1 0 355.276 3.035 20 10 FGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000826943742 729419614 /nfs/dbraw/zinc/41/96/14/729419614.db2.gz ZQJDGEHUSBJIRX-QGZVFWFLSA-N 1 0 364.848 3.041 20 10 FGCDRO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000827321483 729428673 /nfs/dbraw/zinc/42/86/73/729428673.db2.gz YRDTXZUCBLXFKW-HNNXBMFYSA-N 1 0 355.507 3.190 20 10 FGCDRO C[C@@H](SCc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273267 729701224 /nfs/dbraw/zinc/70/12/24/729701224.db2.gz MKTWECXSQYARPK-DNVCBOLYSA-N 1 0 357.523 3.191 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCSc2ccccc2F)cc1 ZINC000832282380 729702044 /nfs/dbraw/zinc/70/20/44/729702044.db2.gz ZFJFUSIUOUDOQE-QGZVFWFLSA-N 1 0 361.486 3.190 20 10 FGCDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1cc(F)c(F)c(F)c1 ZINC000834783113 729834019 /nfs/dbraw/zinc/83/40/19/729834019.db2.gz CSGKMJNWCNKSOG-WBMJQRKESA-N 1 0 351.368 3.238 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000834915104 729846207 /nfs/dbraw/zinc/84/62/07/729846207.db2.gz PWBCHZZMOSFFTR-LNSITVRQSA-N 1 0 367.287 3.267 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000837306316 730016259 /nfs/dbraw/zinc/01/62/59/730016259.db2.gz CMNYOMDIWIPVGU-CVEARBPZSA-N 1 0 357.885 3.429 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000840895681 730188971 /nfs/dbraw/zinc/18/89/71/730188971.db2.gz RPJCHGDROWNUMV-XHSDSOJGSA-N 1 0 352.906 3.378 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000840977628 730200261 /nfs/dbraw/zinc/20/02/61/730200261.db2.gz WOYOZEKAWVKICC-AWEZNQCLSA-N 1 0 361.511 3.284 20 10 FGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H]1CCC(=O)N1 ZINC000840977936 730200273 /nfs/dbraw/zinc/20/02/73/730200273.db2.gz YYHNCLLWFRRQRH-AWEZNQCLSA-N 1 0 357.420 3.260 20 10 FGCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000841763652 730271713 /nfs/dbraw/zinc/27/17/13/730271713.db2.gz OFJYMPYXPQQXIR-RBUKOAKNSA-N 1 0 364.555 3.226 20 10 FGCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841896871 730284035 /nfs/dbraw/zinc/28/40/35/730284035.db2.gz OCDORWGAWISVEL-KGLIPLIRSA-N 1 0 352.910 3.113 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)Cc1ccccc1 ZINC000844861065 730781859 /nfs/dbraw/zinc/78/18/59/730781859.db2.gz URZDSOJBGDZRDF-QGZVFWFLSA-N 1 0 361.873 3.018 20 10 FGCDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846057818 730924349 /nfs/dbraw/zinc/92/43/49/730924349.db2.gz JWASSWWEOGTAQQ-UHFFFAOYSA-N 1 0 365.861 3.100 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000846143228 730931727 /nfs/dbraw/zinc/93/17/27/730931727.db2.gz YHZUNJQHRPWDGO-STQMWFEESA-N 1 0 364.467 3.184 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000846143775 730931795 /nfs/dbraw/zinc/93/17/95/730931795.db2.gz HQKQTWMPYISASV-KBPBESRZSA-N 1 0 350.459 3.451 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846210677 730936791 /nfs/dbraw/zinc/93/67/91/730936791.db2.gz BHZBYDYVOFZZTB-LRDDRELGSA-N 1 0 358.276 3.045 20 10 FGCDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848513875 731173843 /nfs/dbraw/zinc/17/38/43/731173843.db2.gz HWJMCIXNKQTNCQ-DGCLKSJQSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000848517934 731174240 /nfs/dbraw/zinc/17/42/40/731174240.db2.gz HSJTVKPCSWGYSM-MNOVXSKESA-N 1 0 354.248 3.099 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000848535791 731177634 /nfs/dbraw/zinc/17/76/34/731177634.db2.gz GWWWOMVRSABORY-APPZFPTMSA-N 1 0 372.181 3.127 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000848554173 731181001 /nfs/dbraw/zinc/18/10/01/731181001.db2.gz QSUDFQUFJMGFOJ-GHMZBOCLSA-N 1 0 368.275 3.179 20 10 FGCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000850384969 731350775 /nfs/dbraw/zinc/35/07/75/731350775.db2.gz VSUQINUJAWWUDF-BBRMVZONSA-N 1 0 364.287 3.389 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C1CCOCC1 ZINC000850493045 731363686 /nfs/dbraw/zinc/36/36/86/731363686.db2.gz DTZSSEFQLIYPBY-ABAIWWIYSA-N 1 0 358.276 3.247 20 10 FGCDRO CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000850519623 731368604 /nfs/dbraw/zinc/36/86/04/731368604.db2.gz OAXMEFPTORYJGA-NSHDSACASA-N 1 0 359.797 3.063 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(Cl)ccc1O ZINC000850558190 731372664 /nfs/dbraw/zinc/37/26/64/731372664.db2.gz VEKHRDUNKJSQSI-FSPWUOQZSA-N 1 0 350.890 3.340 20 10 FGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852857351 731641182 /nfs/dbraw/zinc/64/11/82/731641182.db2.gz QGISGZJFMXNQJU-KRWDZBQOSA-N 1 0 357.420 3.033 20 10 FGCDRO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@H]1COCCO1 ZINC000853558284 731722780 /nfs/dbraw/zinc/72/27/80/731722780.db2.gz GNBHNLCVTCEOOT-AWEZNQCLSA-N 1 0 366.255 3.155 20 10 FGCDRO CC(C)OCCN1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858147939 732186128 /nfs/dbraw/zinc/18/61/28/732186128.db2.gz DZTKUGHXCOTFGO-UHFFFAOYSA-N 1 0 371.319 3.134 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602526 732230642 /nfs/dbraw/zinc/23/06/42/732230642.db2.gz AWBMREGVISKLCS-NHYWBVRUSA-N 1 0 367.287 3.267 20 10 FGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000862227413 732790231 /nfs/dbraw/zinc/79/02/31/732790231.db2.gz OHZVPWYXPUVJBI-NSHDSACASA-N 1 0 352.232 3.226 20 10 FGCDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000862278454 732803291 /nfs/dbraw/zinc/80/32/91/732803291.db2.gz DFMYVWAATBEFER-RTBURBONSA-N 1 0 364.555 3.227 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@]2(CCO[C@H](C)C2)O1 ZINC000862353321 732813870 /nfs/dbraw/zinc/81/38/70/732813870.db2.gz KNVZJZIELZMHFK-PBFPGSCMSA-N 1 0 370.287 3.313 20 10 FGCDRO C[NH+](C)CCN(Cc1ccccn1)Cc1c(O)cccc1Br ZINC000862367717 732817204 /nfs/dbraw/zinc/81/72/04/732817204.db2.gz SKBBGSSLUHHLBU-UHFFFAOYSA-N 1 0 364.287 3.114 20 10 FGCDRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000862526728 732843393 /nfs/dbraw/zinc/84/33/93/732843393.db2.gz ZCSPUBPXCVXXTQ-UHFFFAOYSA-N 1 0 358.866 3.019 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863551465 732976030 /nfs/dbraw/zinc/97/60/30/732976030.db2.gz FLCQUCZIPGQRHQ-FZMZJTMJSA-N 1 0 364.795 3.207 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)c2c1c(F)ccc2O ZINC000866431571 733348611 /nfs/dbraw/zinc/34/86/11/733348611.db2.gz XBKFCVCJOLHQQH-GZMMTYOYSA-N 1 0 354.223 3.365 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000866435732 733349032 /nfs/dbraw/zinc/34/90/32/733349032.db2.gz FDIRKAABIAPXAT-BDJLRTHQSA-N 1 0 354.376 3.317 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000873291660 735747073 /nfs/dbraw/zinc/74/70/73/735747073.db2.gz HDUCNFOMOSWRJH-CHWSQXEVSA-N 1 0 358.404 3.220 20 10 FGCDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637544 736697361 /nfs/dbraw/zinc/69/73/61/736697361.db2.gz VLFCQSZPXXHPJX-LMKMVOKYSA-N 1 0 368.458 3.460 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC(C(C)(C)O)CC2)c1O ZINC000877753676 736714664 /nfs/dbraw/zinc/71/46/64/736714664.db2.gz JSTHMRRFWMLRMK-UHFFFAOYSA-N 1 0 358.276 3.146 20 10 FGCDRO C[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1O ZINC000879651019 737023743 /nfs/dbraw/zinc/02/37/43/737023743.db2.gz DUZDVHLLRIWXPE-ZDUSSCGKSA-N 1 0 355.463 3.011 20 10 FGCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCSCC3)cc1)CSCC2 ZINC000882902082 737502630 /nfs/dbraw/zinc/50/26/30/737502630.db2.gz YAWCOJMLTJRTRL-UHFFFAOYSA-N 1 0 374.579 3.052 20 10 FGCDRO Cc1n[nH]c(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1C ZINC000886002333 739208397 /nfs/dbraw/zinc/20/83/97/739208397.db2.gz WOVAOJKXSMCNTD-CQSZACIVSA-N 1 0 350.413 3.387 20 10 FGCDRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(O)c1OC ZINC000893401502 742149719 /nfs/dbraw/zinc/14/97/19/742149719.db2.gz JDYORKRYAZYOCT-UHFFFAOYSA-N 1 0 366.801 3.303 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)c(O)c1OC ZINC000894169524 742247983 /nfs/dbraw/zinc/24/79/83/742247983.db2.gz LLNQBJWCRBIHOA-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1O ZINC000895847876 742462551 /nfs/dbraw/zinc/46/25/51/742462551.db2.gz WWBIOKYRBYGRGX-BXUZGUMPSA-N 1 0 356.260 3.164 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000896451086 742554760 /nfs/dbraw/zinc/55/47/60/742554760.db2.gz CPGPTXHCXWKUIE-SAABIXHNSA-N 1 0 362.267 3.337 20 10 FGCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000897357244 742672192 /nfs/dbraw/zinc/67/21/92/742672192.db2.gz MPSITTNIKPNQCP-MAEOIBBWSA-N 1 0 362.267 3.337 20 10 FGCDRO C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(Br)cc(Br)c1[O-] ZINC000902405025 743741035 /nfs/dbraw/zinc/74/10/35/743741035.db2.gz IBNPMXIQHHHXGH-ZETCQYMHSA-N 1 0 364.081 3.059 20 10 FGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000903064495 743801314 /nfs/dbraw/zinc/80/13/14/743801314.db2.gz MWGSYAGLBHCQJO-HZMBPMFUSA-N 1 0 353.264 3.331 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]CC2CCC(S(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000903153526 743813662 /nfs/dbraw/zinc/81/36/62/743813662.db2.gz GFFQHKSGSITACE-LFUGVXIPSA-N 1 0 355.475 3.273 20 10 FGCDRO COc1ccc(C)cc1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000920472037 758558038 /nfs/dbraw/zinc/55/80/38/758558038.db2.gz IGEZATBLACUROK-LFIBNONCSA-N 1 0 362.520 3.299 20 10 FGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000921575098 758748706 /nfs/dbraw/zinc/74/87/06/758748706.db2.gz OOHSIDFRUGSPBN-ZHALLVOQSA-N 1 0 361.555 3.152 20 10 FGCDRO C[C@H](c1cc(Br)ccc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925747461 759530219 /nfs/dbraw/zinc/53/02/19/759530219.db2.gz IJXJHQYPSAMPCH-SECBINFHSA-N 1 0 368.300 3.189 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C3(Br)CC3)C2)cc1 ZINC000926612273 759789156 /nfs/dbraw/zinc/78/91/56/759789156.db2.gz NHBXGSUCRIIEMU-UONOGXRCSA-N 1 0 353.304 3.427 20 10 FGCDRO CC[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000926909188 759844092 /nfs/dbraw/zinc/84/40/92/759844092.db2.gz WGLRXCDANPAAGQ-IBGZPJMESA-N 1 0 360.523 3.440 20 10 FGCDRO c1csc(C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000932195052 761079612 /nfs/dbraw/zinc/07/96/12/761079612.db2.gz NSGZRBMRDVZUPV-GOSISDBHSA-N 1 0 357.523 3.434 20 10 FGCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779040841 724383757 /nfs/dbraw/zinc/38/37/57/724383757.db2.gz MAIBTZQGIFLHPO-QKCSRTOESA-N 1 0 355.276 3.028 20 10 FGCDRO Cc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000072558101 494202034 /nfs/dbraw/zinc/20/20/34/494202034.db2.gz OQAUPYUBKBPJDR-UHFFFAOYSA-N 1 0 367.493 3.292 20 10 FGCDRO CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000043292691 494284478 /nfs/dbraw/zinc/28/44/78/494284478.db2.gz XNWIRKJUFCVWRJ-UHFFFAOYSA-N 1 0 358.530 3.303 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090055580 494433903 /nfs/dbraw/zinc/43/39/03/494433903.db2.gz SJHIDTZYUVZVCZ-FOIQADDNSA-N 1 0 350.478 3.254 20 10 FGCDRO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000090779665 494496240 /nfs/dbraw/zinc/49/62/40/494496240.db2.gz BHVKWJODVUAFFL-VGOFRKELSA-N 1 0 352.478 3.008 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2F)CC1 ZINC000121411444 494743562 /nfs/dbraw/zinc/74/35/62/494743562.db2.gz IXDRMKIMEZITHR-WMQCIHAUSA-N 1 0 374.500 3.224 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000121413287 494743917 /nfs/dbraw/zinc/74/39/17/494743917.db2.gz QGXVKLKONBFISB-VSKRKVRLSA-N 1 0 370.537 3.333 20 10 FGCDRO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)n1-c1ccccn1 ZINC000080714578 494774286 /nfs/dbraw/zinc/77/42/86/494774286.db2.gz LQEILNPKIDRNQQ-AYHJJNSGSA-N 1 0 352.482 3.234 20 10 FGCDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)Cc1ccccc1O ZINC000109770673 494916741 /nfs/dbraw/zinc/91/67/41/494916741.db2.gz RBDPLBUCIWIYAL-CQSZACIVSA-N 1 0 356.422 3.013 20 10 FGCDRO CC[N@H+](Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1)C(C)C ZINC000122388752 494967814 /nfs/dbraw/zinc/96/78/14/494967814.db2.gz AFTHIXRMRBYRSH-UHFFFAOYSA-N 1 0 356.466 3.301 20 10 FGCDRO CCn1c(C)cc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1C ZINC000170878040 495638069 /nfs/dbraw/zinc/63/80/69/495638069.db2.gz KQCXAYAMVZQFAQ-WJDWOHSUSA-N 1 0 363.552 3.420 20 10 FGCDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179890212 495772279 /nfs/dbraw/zinc/77/22/79/495772279.db2.gz HSGVNTFAWPRSBO-UHFFFAOYSA-N 1 0 372.396 3.111 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1 ZINC000186032269 495828415 /nfs/dbraw/zinc/82/84/15/495828415.db2.gz FXLQZCDKCLOELQ-HNNXBMFYSA-N 1 0 360.479 3.091 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(CCOC)CC1)c1cc(Br)ccc1O ZINC000155317019 495916572 /nfs/dbraw/zinc/91/65/72/495916572.db2.gz HTXNLUOFVZPMAK-INIZCTEOSA-N 1 0 371.319 3.306 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1OC ZINC000160482045 495972345 /nfs/dbraw/zinc/97/23/45/495972345.db2.gz OYOFHGFVAFXFDU-NRFANRHFSA-N 1 0 355.434 3.083 20 10 FGCDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000160530580 495984312 /nfs/dbraw/zinc/98/43/12/495984312.db2.gz WANKLQMYXGWLRH-LBPRGKRZSA-N 1 0 361.383 3.145 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1O ZINC000186412170 495988841 /nfs/dbraw/zinc/98/88/41/495988841.db2.gz DCUWFVHIJYPCAT-SFHVURJKSA-N 1 0 360.479 3.173 20 10 FGCDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186566083 496048863 /nfs/dbraw/zinc/04/88/63/496048863.db2.gz VOFHZWWWJVSLMA-STQMWFEESA-N 1 0 360.329 3.376 20 10 FGCDRO CSc1nnc(CCC[NH2+]Cc2cc(F)ccc2O)n1CC(C)C ZINC000180715699 496116107 /nfs/dbraw/zinc/11/61/07/496116107.db2.gz WONNMJIFSIRKCG-UHFFFAOYSA-N 1 0 352.479 3.223 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180723969 496118618 /nfs/dbraw/zinc/11/86/18/496118618.db2.gz KQVWOPSTICTYBV-FNORWQNLSA-N 1 0 370.474 3.299 20 10 FGCDRO CC1(C(=O)NCc2ccc(O)c(O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000156412524 496237684 /nfs/dbraw/zinc/23/76/84/496237684.db2.gz YDGGAWXNYDLHFB-UHFFFAOYSA-N 1 0 354.450 3.016 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)COc3cccc(C)c3)CC2)cc1 ZINC000152893484 496288410 /nfs/dbraw/zinc/28/84/10/496288410.db2.gz PJYCWKLDHANZFX-FQEVSTJZSA-N 1 0 370.493 3.002 20 10 FGCDRO Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000162975896 496444182 /nfs/dbraw/zinc/44/41/82/496444182.db2.gz QVGGIVGLXKKUOO-OAHLLOKOSA-N 1 0 350.413 3.089 20 10 FGCDRO O=C(CCc1ccncc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158073430 496622127 /nfs/dbraw/zinc/62/21/27/496622127.db2.gz UAWGGHFIWHGRRG-GOSISDBHSA-N 1 0 373.884 3.154 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185023624 496626779 /nfs/dbraw/zinc/62/67/79/496626779.db2.gz JNSDPVXRCVZQRB-HNNXBMFYSA-N 1 0 352.482 3.381 20 10 FGCDRO Cc1ccc(F)cc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000182078499 496660812 /nfs/dbraw/zinc/66/08/12/496660812.db2.gz QVMGASCNVKQBOT-GDNBJRDFSA-N 1 0 350.484 3.430 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cc(F)ccc1O ZINC000185147189 496681359 /nfs/dbraw/zinc/68/13/59/496681359.db2.gz IWFDGTITJTXEAB-INIZCTEOSA-N 1 0 374.456 3.093 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c(O)c1 ZINC000185178821 496693054 /nfs/dbraw/zinc/69/30/54/496693054.db2.gz CSUNYVZGZJYWIZ-MRXNPFEDSA-N 1 0 374.506 3.336 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000273303105 496767931 /nfs/dbraw/zinc/76/79/31/496767931.db2.gz VCVGGPQXGCSDSE-LEWJYISDSA-N 1 0 366.509 3.380 20 10 FGCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000273445957 496807959 /nfs/dbraw/zinc/80/79/59/496807959.db2.gz ZTLPNERATQTQKW-JTQLQIEISA-N 1 0 357.248 3.036 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264244543 496850592 /nfs/dbraw/zinc/85/05/92/496850592.db2.gz XTAWXGZRLOFGCQ-LJQANCHMSA-N 1 0 367.493 3.098 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278448904 497117292 /nfs/dbraw/zinc/11/72/92/497117292.db2.gz XNOLMOOQXTYTMF-XPTSAGLGSA-N 1 0 353.768 3.189 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000236917742 497167899 /nfs/dbraw/zinc/16/78/99/497167899.db2.gz ZEJQLQSXPZDBEK-RISCZKNCSA-N 1 0 355.276 3.021 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000275304544 497281188 /nfs/dbraw/zinc/28/11/88/497281188.db2.gz NFRAWTMHQGAKDT-PXNSSMCTSA-N 1 0 359.470 3.151 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000271196416 497287602 /nfs/dbraw/zinc/28/76/02/497287602.db2.gz UQYGFNQIQQPCRS-UHFFFAOYSA-N 1 0 351.494 3.489 20 10 FGCDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000275707971 497409597 /nfs/dbraw/zinc/40/95/97/497409597.db2.gz UBLMRHVQFKQMIH-SIKLNZKXSA-N 1 0 373.541 3.072 20 10 FGCDRO COc1ccc(O)c(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000271738508 497435232 /nfs/dbraw/zinc/43/52/32/497435232.db2.gz POORIJCVWVDFFG-UHFFFAOYSA-N 1 0 354.450 3.137 20 10 FGCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(OC)c(OC)cc1O ZINC000271804973 497456699 /nfs/dbraw/zinc/45/66/99/497456699.db2.gz LZVLOVCNVYMBAH-UHFFFAOYSA-N 1 0 361.438 3.449 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)c(C(F)(F)F)c1 ZINC000279984366 497609741 /nfs/dbraw/zinc/60/97/41/497609741.db2.gz QSEFHZJIKLOZGT-UHFFFAOYSA-N 1 0 351.372 3.160 20 10 FGCDRO Nc1ccc(CC(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000263004786 497679261 /nfs/dbraw/zinc/67/92/61/497679261.db2.gz XTTJHNYTXZEKAS-SFHVURJKSA-N 1 0 355.507 3.044 20 10 FGCDRO COc1cc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)ccc1C ZINC000194535520 497697958 /nfs/dbraw/zinc/69/79/58/497697958.db2.gz AOBARCVMAFTIHF-LFIBNONCSA-N 1 0 362.520 3.299 20 10 FGCDRO CCOc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277032971 497721482 /nfs/dbraw/zinc/72/14/82/497721482.db2.gz NZKYDJYZMHTDAK-UHFFFAOYSA-N 1 0 369.870 3.138 20 10 FGCDRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000272794144 497732468 /nfs/dbraw/zinc/73/24/68/497732468.db2.gz YENRPGGKBKPKGI-INIZCTEOSA-N 1 0 353.466 3.332 20 10 FGCDRO COC1CCN(c2ccc(C[N@H+](CCCO)Cc3ccccn3)cc2)CC1 ZINC000296123051 497927913 /nfs/dbraw/zinc/92/79/13/497927913.db2.gz WBWVYFCAIYHYCK-UHFFFAOYSA-N 1 0 369.509 3.081 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H]3CCc4cccc(O)c43)CC2)c1 ZINC000296288519 497986867 /nfs/dbraw/zinc/98/68/67/497986867.db2.gz FHXKACPJVVIRSE-QGZVFWFLSA-N 1 0 355.438 3.090 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1O ZINC000293210797 498307610 /nfs/dbraw/zinc/30/76/10/498307610.db2.gz YGMVNTBDFIQWQX-KDOFPFPSSA-N 1 0 372.440 3.382 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289857886 498325175 /nfs/dbraw/zinc/32/51/75/498325175.db2.gz VIEPGHQXWQQLCP-CMPLNLGQSA-N 1 0 353.768 3.047 20 10 FGCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000297176663 498345498 /nfs/dbraw/zinc/34/54/98/498345498.db2.gz PUVZJMFTELVRTA-IBGZPJMESA-N 1 0 373.541 3.040 20 10 FGCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Br)ccc1O)c1cccnc1 ZINC000293509377 498400690 /nfs/dbraw/zinc/40/06/90/498400690.db2.gz ADKWJHBHCVKCCO-MRXNPFEDSA-N 1 0 365.271 3.399 20 10 FGCDRO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000290099267 498428899 /nfs/dbraw/zinc/42/88/99/498428899.db2.gz HWFLDHDBIAADOU-BTYIYWSLSA-N 1 0 359.466 3.362 20 10 FGCDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000290178950 498453695 /nfs/dbraw/zinc/45/36/95/498453695.db2.gz NJBHDOMXRRGJHS-QVKFZJNVSA-N 1 0 359.466 3.362 20 10 FGCDRO Nc1ncnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000302899991 498621179 /nfs/dbraw/zinc/62/11/79/498621179.db2.gz QHXBWJJNMBPDNI-SNVBAGLBSA-N 1 0 369.803 3.395 20 10 FGCDRO O=C(c1cccc(O)c1O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294713542 498780381 /nfs/dbraw/zinc/78/03/81/498780381.db2.gz WADYGTRAMVGEOX-UHFFFAOYSA-N 1 0 366.461 3.226 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)c1 ZINC000283942175 499016944 /nfs/dbraw/zinc/01/69/44/499016944.db2.gz JTEAGIWRJWSHTH-CQSZACIVSA-N 1 0 363.479 3.435 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000372497483 499134737 /nfs/dbraw/zinc/13/47/37/499134737.db2.gz QGVOAZOZNNAPDP-GXFFZTMASA-N 1 0 350.260 3.394 20 10 FGCDRO CCN1CCC[C@@H](C[N@H+](C)Cc2cccc(C)c2O)[C@@H]1c1cnn(C)c1 ZINC000372537765 499142730 /nfs/dbraw/zinc/14/27/30/499142730.db2.gz CQGBNGVXIZUDNT-FXAWDEMLSA-N 1 0 356.514 3.339 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000369910976 499150703 /nfs/dbraw/zinc/15/07/03/499150703.db2.gz WPORSPUQHLUPFA-IOHHAYIISA-N 1 0 360.479 3.475 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617033 499154433 /nfs/dbraw/zinc/15/44/33/499154433.db2.gz HIEMQPFARZROAY-SZOQZIPDSA-N 1 0 354.441 3.210 20 10 FGCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000372925825 499195469 /nfs/dbraw/zinc/19/54/69/499195469.db2.gz KTCBMYSAVHAZAN-IBGZPJMESA-N 1 0 374.506 3.286 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC000367728164 499228634 /nfs/dbraw/zinc/22/86/34/499228634.db2.gz UQHUTNCPUMTOGE-UHFFFAOYSA-N 1 0 350.260 3.497 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000367841947 499237334 /nfs/dbraw/zinc/23/73/34/499237334.db2.gz VTIREHSKOADDOB-QGZVFWFLSA-N 1 0 362.470 3.280 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(Cl)c1[O-] ZINC000367897043 499242940 /nfs/dbraw/zinc/24/29/40/499242940.db2.gz QOQCJQDHLJZAAX-PBHICJAKSA-N 1 0 359.857 3.396 20 10 FGCDRO CCCOc1ccc(C[N@H+](C)C2CCN(c3ncccn3)CC2)c(O)c1 ZINC000371420862 499324352 /nfs/dbraw/zinc/32/43/52/499324352.db2.gz HMRBFPCSPKKBKB-UHFFFAOYSA-N 1 0 356.470 3.072 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@H]1CCOC1 ZINC000371971896 499385410 /nfs/dbraw/zinc/38/54/10/499385410.db2.gz BIHOMUSUVVPCBF-ZNMIVQPWSA-N 1 0 358.404 3.426 20 10 FGCDRO CCc1nccc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000372442838 499435290 /nfs/dbraw/zinc/43/52/90/499435290.db2.gz ZYEBTBLDDWSJNV-IBGZPJMESA-N 1 0 366.509 3.255 20 10 FGCDRO COCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000373120788 499452436 /nfs/dbraw/zinc/45/24/36/499452436.db2.gz HRAOYQFLVDMBIK-LJQANCHMSA-N 1 0 360.498 3.022 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608678 499479578 /nfs/dbraw/zinc/47/95/78/499479578.db2.gz LKFBIHAXUZEYCX-CHWSQXEVSA-N 1 0 361.467 3.269 20 10 FGCDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)O1 ZINC000375558634 499532243 /nfs/dbraw/zinc/53/22/43/499532243.db2.gz RWWLYTSOJHWCHO-OAQYLSRUSA-N 1 0 368.433 3.046 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1[O-] ZINC000375852650 499562346 /nfs/dbraw/zinc/56/23/46/499562346.db2.gz ODUFGFLNCBEQMA-DOTOQJQBSA-N 1 0 374.460 3.497 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000375877095 499563902 /nfs/dbraw/zinc/56/39/02/499563902.db2.gz WXDMSDIYXNHBEI-AEFFLSMTSA-N 1 0 354.498 3.072 20 10 FGCDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000376212578 499591504 /nfs/dbraw/zinc/59/15/04/499591504.db2.gz UURUKNTWTWDQFT-CVEARBPZSA-N 1 0 367.287 3.130 20 10 FGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000377230452 499672166 /nfs/dbraw/zinc/67/21/66/499672166.db2.gz BGZMSFISLYVUGW-INIZCTEOSA-N 1 0 356.376 3.034 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1O ZINC000377757155 499729341 /nfs/dbraw/zinc/72/93/41/499729341.db2.gz UHUOUBKDTVZDTL-YPMHNXCESA-N 1 0 350.260 3.476 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccco2)C1 ZINC000435668366 501008653 /nfs/dbraw/zinc/00/86/53/501008653.db2.gz XXZXNTHZXMMYBZ-UHFFFAOYSA-N 1 0 365.477 3.360 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C)[C@H]2C)C1 ZINC000435911267 501045488 /nfs/dbraw/zinc/04/54/88/501045488.db2.gz KGCODUPZVHCSMQ-SJORKVTESA-N 1 0 369.509 3.044 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@@H](C)O2)C1 ZINC000457361583 501687337 /nfs/dbraw/zinc/68/73/37/501687337.db2.gz KRNHMIWTBXXEEN-SJORKVTESA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000481572411 501818335 /nfs/dbraw/zinc/81/83/35/501818335.db2.gz QUSUFZPLMVZGLN-QGZVFWFLSA-N 1 0 355.869 3.326 20 10 FGCDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472223676 502276317 /nfs/dbraw/zinc/27/63/17/502276317.db2.gz UOUKWJIVAKVVQL-SJORKVTESA-N 1 0 354.498 3.255 20 10 FGCDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@@H]1C ZINC000498553259 503207959 /nfs/dbraw/zinc/20/79/59/503207959.db2.gz FECKEQLTAGVPKR-HOTGVXAUSA-N 1 0 371.525 3.459 20 10 FGCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1 ZINC000530106085 503839655 /nfs/dbraw/zinc/83/96/55/503839655.db2.gz SZKKPKSAMKUMCQ-UHFFFAOYSA-N 1 0 362.514 3.082 20 10 FGCDRO COC[C@]1([NH2+]Cc2cc(Cl)cc(OC)c2O)COc2ccccc2C1 ZINC000529668054 504755836 /nfs/dbraw/zinc/75/58/36/504755836.db2.gz HCLXKJAGUXIWPI-IBGZPJMESA-N 1 0 363.841 3.164 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618266 609325940 /nfs/dbraw/zinc/32/59/40/609325940.db2.gz NZYMPXUYVYVHET-CQSZACIVSA-N 1 0 366.444 3.457 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618263 609326121 /nfs/dbraw/zinc/32/61/21/609326121.db2.gz NZYMPXUYVYVHET-AWEZNQCLSA-N 1 0 366.444 3.457 20 10 FGCDRO CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)ccc1O ZINC000037152649 695754245 /nfs/dbraw/zinc/75/42/45/695754245.db2.gz KJTAONFCHLUEJZ-OVGLSYRBSA-N 1 0 355.276 3.240 20 10 FGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000092585999 700437759 /nfs/dbraw/zinc/43/77/59/700437759.db2.gz IZGRVEPMIRAJOT-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093476156 700451551 /nfs/dbraw/zinc/45/15/51/700451551.db2.gz MRFCFOYDYLEAEH-GOSISDBHSA-N 1 0 350.478 3.299 20 10 FGCDRO COc1cccc(C[NH2+]CCOc2ccc(Br)cc2)c1O ZINC000105461887 700500966 /nfs/dbraw/zinc/50/09/66/700500966.db2.gz KMJLKOHDHTXPGQ-UHFFFAOYSA-N 1 0 352.228 3.332 20 10 FGCDRO CCn1nccc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000119403179 700628028 /nfs/dbraw/zinc/62/80/28/700628028.db2.gz KUQXLCBBRAFWGS-AWEZNQCLSA-N 1 0 350.413 3.263 20 10 FGCDRO CS[C@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000128186654 700771857 /nfs/dbraw/zinc/77/18/57/700771857.db2.gz GMQSMICBAPHTEX-DOMZBBRYSA-N 1 0 356.919 3.268 20 10 FGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000129473772 700788488 /nfs/dbraw/zinc/78/84/88/700788488.db2.gz PJPQZGGNXHSJFI-UHFFFAOYSA-N 1 0 367.209 3.225 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000131428659 700815180 /nfs/dbraw/zinc/81/51/80/700815180.db2.gz GCWQJJDBPLZCIP-GJZGRUSLSA-N 1 0 350.459 3.326 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000159256059 705216886 /nfs/dbraw/zinc/21/68/86/705216886.db2.gz DTYVBZRYJADJRZ-YSSFQJQWSA-N 1 0 350.478 3.254 20 10 FGCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1O ZINC000164337511 705327922 /nfs/dbraw/zinc/32/79/22/705327922.db2.gz UMHDXWLQIWYSLJ-UHFFFAOYSA-N 1 0 361.873 3.075 20 10 FGCDRO CCOc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000171128997 705375252 /nfs/dbraw/zinc/37/52/52/705375252.db2.gz MPACAKXBNKOYBH-UHFFFAOYSA-N 1 0 369.870 3.008 20 10 FGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000178201352 705658431 /nfs/dbraw/zinc/65/84/31/705658431.db2.gz LPEAVANJJKHYGG-NSHDSACASA-N 1 0 351.372 3.459 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000180055966 705726260 /nfs/dbraw/zinc/72/62/60/705726260.db2.gz GCURVYMBWOEIBE-CQSZACIVSA-N 1 0 350.459 3.090 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000180173432 705731171 /nfs/dbraw/zinc/73/11/71/705731171.db2.gz MRRXEXUOLRKBTE-UHFFFAOYSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCSc3ccccc32)c1 ZINC000182362704 705837326 /nfs/dbraw/zinc/83/73/26/705837326.db2.gz XNPJMOPQLLGAAV-ZDUSSCGKSA-N 1 0 358.463 3.190 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000779060078 724385568 /nfs/dbraw/zinc/38/55/68/724385568.db2.gz CWHNGADHQAQQDV-DGCLKSJQSA-N 1 0 350.260 3.325 20 10 FGCDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000185201455 712688169 /nfs/dbraw/zinc/68/81/69/712688169.db2.gz XUZXDHXKENLAOM-RBUKOAKNSA-N 1 0 350.478 3.344 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000185232594 712689055 /nfs/dbraw/zinc/68/90/55/712689055.db2.gz OABDYKKHJPKIBK-HNNXBMFYSA-N 1 0 364.486 3.152 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1O ZINC000185855942 712703487 /nfs/dbraw/zinc/70/34/87/712703487.db2.gz HKCUOAINOSWBNT-ZYHUDNBSSA-N 1 0 350.340 3.266 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194225115 713514826 /nfs/dbraw/zinc/51/48/26/713514826.db2.gz IOLWJKUUFRVUBF-INIZCTEOSA-N 1 0 356.388 3.324 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000779067302 724387047 /nfs/dbraw/zinc/38/70/47/724387047.db2.gz UOGZXPRKYKBNDB-HUUCEWRRSA-N 1 0 360.889 3.039 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)[C@]12CCCO2 ZINC000781424794 724563499 /nfs/dbraw/zinc/56/34/99/724563499.db2.gz YXMDWNANKAMANV-XUVXKRRUSA-N 1 0 350.478 3.488 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000781911429 724611238 /nfs/dbraw/zinc/61/12/38/724611238.db2.gz MNYLAACEOYRVPR-AWEZNQCLSA-N 1 0 353.304 3.381 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1 ZINC000705903600 722411974 /nfs/dbraw/zinc/41/19/74/722411974.db2.gz NBEBYIFRCBSNPX-OAHLLOKOSA-N 1 0 352.475 3.235 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000715134679 722415699 /nfs/dbraw/zinc/41/56/99/722415699.db2.gz CHMKBOVHDXRVAX-MELADBBJSA-N 1 0 350.459 3.355 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715135595 722415745 /nfs/dbraw/zinc/41/57/45/722415745.db2.gz FOGPJMOQZYTMIL-OTVXOJSOSA-N 1 0 350.459 3.184 20 10 FGCDRO Oc1ccccc1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000729684521 722461588 /nfs/dbraw/zinc/46/15/88/722461588.db2.gz YAUQVNUKDCAFGW-UHFFFAOYSA-N 1 0 359.227 3.025 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735744693 722519086 /nfs/dbraw/zinc/51/90/86/722519086.db2.gz WIDWUWZRSYEMQZ-MRXNPFEDSA-N 1 0 357.420 3.126 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000740000441 722534693 /nfs/dbraw/zinc/53/46/93/722534693.db2.gz CMKVKIZLZNZHQW-IAGOWNOFSA-N 1 0 351.510 3.261 20 10 FGCDRO CCCC(=O)NC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750034894 722752585 /nfs/dbraw/zinc/75/25/85/722752585.db2.gz ATPYXOFKWSCLAM-UHFFFAOYSA-N 1 0 352.862 3.129 20 10 FGCDRO O=C1[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCN1c1c(F)cccc1F ZINC000756148936 722961289 /nfs/dbraw/zinc/96/12/89/722961289.db2.gz HOSZXKPATCQTLN-AWEZNQCLSA-N 1 0 352.768 3.219 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000756342971 722963116 /nfs/dbraw/zinc/96/31/16/722963116.db2.gz MBCSYLHFQCHYIA-AEFFLSMTSA-N 1 0 359.539 3.401 20 10 FGCDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(Br)ccc1O ZINC000756569497 722967027 /nfs/dbraw/zinc/96/70/27/722967027.db2.gz PKDBGAONXLAWKA-SECBINFHSA-N 1 0 355.198 3.299 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c2c1c(F)ccc2O ZINC000756743840 722969463 /nfs/dbraw/zinc/96/94/63/722969463.db2.gz WWAJZXILGGFXEI-IAQYHMDHSA-N 1 0 361.438 3.199 20 10 FGCDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000789996413 723092606 /nfs/dbraw/zinc/09/26/06/723092606.db2.gz QGHPRIFKWCOFHC-KRWDZBQOSA-N 1 0 359.857 3.143 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@@]12CCCO2 ZINC000761225603 723134773 /nfs/dbraw/zinc/13/47/73/723134773.db2.gz JWMRAVDERDMFHO-UXLLHSPISA-N 1 0 370.287 3.279 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000764772269 723444187 /nfs/dbraw/zinc/44/41/87/723444187.db2.gz ZWKSWASMSXAKSO-HNNXBMFYSA-N 1 0 361.511 3.365 20 10 FGCDRO CC[C@H](C)[C@H](OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689966 723461132 /nfs/dbraw/zinc/46/11/32/723461132.db2.gz QXOYEPNRTPSQSX-XCRHUMRWSA-N 1 0 368.905 3.187 20 10 FGCDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765257157 723498776 /nfs/dbraw/zinc/49/87/76/723498776.db2.gz XFONGEMQRHXHEN-RDJZCZTQSA-N 1 0 363.571 3.398 20 10 FGCDRO CS[C@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@H]1[NH+](C)C ZINC000765268537 723500064 /nfs/dbraw/zinc/50/00/64/723500064.db2.gz JUSZYRBWUIYMLQ-CVEARBPZSA-N 1 0 363.552 3.273 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000794836048 723548382 /nfs/dbraw/zinc/54/83/82/723548382.db2.gz RKCPKUYWUOMNSD-JQWIXIFHSA-N 1 0 373.266 3.203 20 10 FGCDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165399 723559137 /nfs/dbraw/zinc/55/91/37/723559137.db2.gz HQAPOVXFWNLTIJ-HRCADAONSA-N 1 0 351.922 3.310 20 10 FGCDRO O=S1(=O)CCC(C[N@@H+](Cc2ccccc2O)C2CCCCC2)CC1 ZINC000767398327 723617838 /nfs/dbraw/zinc/61/78/38/723617838.db2.gz MXUVLEXYLHYFCL-UHFFFAOYSA-N 1 0 351.512 3.352 20 10 FGCDRO COc1cccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1O ZINC000796468425 723638841 /nfs/dbraw/zinc/63/88/41/723638841.db2.gz CYLNXNHGTOTSSQ-KRWDZBQOSA-N 1 0 366.255 3.161 20 10 FGCDRO C[N@H+](Cc1ccc(Br)s1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440707 723657761 /nfs/dbraw/zinc/65/77/61/723657761.db2.gz CBHIJTGWWUEKHX-CYBMUJFWSA-N 1 0 370.268 3.274 20 10 FGCDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440953 723657764 /nfs/dbraw/zinc/65/77/64/723657764.db2.gz BMGPLOLEUHBBRQ-GOSISDBHSA-N 1 0 363.841 3.372 20 10 FGCDRO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768445846 723657923 /nfs/dbraw/zinc/65/79/23/723657923.db2.gz JSTKHUCORZYGCV-MJGOQNOKSA-N 1 0 357.475 3.417 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c1O ZINC000769187888 723679046 /nfs/dbraw/zinc/67/90/46/723679046.db2.gz KXJYNQGDYFSWFO-UHFFFAOYSA-N 1 0 371.319 3.470 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000769289307 723681541 /nfs/dbraw/zinc/68/15/41/723681541.db2.gz DHMDXAFAAMWTMI-HNNXBMFYSA-N 1 0 369.303 3.378 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000769541816 723689333 /nfs/dbraw/zinc/68/93/33/723689333.db2.gz VZGQUGXJAGMDKW-AWEZNQCLSA-N 1 0 350.459 3.232 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000769556666 723689705 /nfs/dbraw/zinc/68/97/05/723689705.db2.gz QHKWDYFWKKTHCD-LLVKDONJSA-N 1 0 373.291 3.466 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1F ZINC000769556736 723689748 /nfs/dbraw/zinc/68/97/48/723689748.db2.gz RJAPIOIMTKNOGJ-UHFFFAOYSA-N 1 0 350.478 3.443 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000773408167 723784172 /nfs/dbraw/zinc/78/41/72/723784172.db2.gz GDWVWXDRNYCXKA-NSHDSACASA-N 1 0 364.804 3.088 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)ccc1O ZINC000774398613 723888893 /nfs/dbraw/zinc/88/88/93/723888893.db2.gz YMPRCRNRMUDWNC-CMPLNLGQSA-N 1 0 357.347 3.450 20 10 FGCDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000774973476 723946931 /nfs/dbraw/zinc/94/69/31/723946931.db2.gz ADPNUSAGKDWRCI-UHFFFAOYSA-N 1 0 365.543 3.244 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(CC(C)C)CC(F)(F)F)c1 ZINC000775373083 723986095 /nfs/dbraw/zinc/98/60/95/723986095.db2.gz MGNGOCJQODWRKC-LBPRGKRZSA-N 1 0 362.392 3.098 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1cc(Cl)ccc1O ZINC000775490947 723995424 /nfs/dbraw/zinc/99/54/24/723995424.db2.gz FMZJHFPKVYMICN-QGZVFWFLSA-N 1 0 362.857 3.411 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000775521531 723997882 /nfs/dbraw/zinc/99/78/82/723997882.db2.gz YFKSMMDISFKSCP-VXGBXAGGSA-N 1 0 350.768 3.250 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Br)ccc1O ZINC000775526855 723998216 /nfs/dbraw/zinc/99/82/16/723998216.db2.gz MFENRBVFANXISW-FDEJFUCISA-N 1 0 367.287 3.205 20 10 FGCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC000799349332 724016480 /nfs/dbraw/zinc/01/64/80/724016480.db2.gz FATSIKDNGZASHV-INIZCTEOSA-N 1 0 350.256 3.238 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+](C)Cc2cccc(C(N)=O)c2)c1O ZINC000775657981 724017454 /nfs/dbraw/zinc/01/74/54/724017454.db2.gz JSSBEBXCRGGHFK-UHFFFAOYSA-N 1 0 363.255 3.194 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000775727774 724031669 /nfs/dbraw/zinc/03/16/69/724031669.db2.gz YGOGMSNNFXAZHC-MRXNPFEDSA-N 1 0 370.287 3.233 20 10 FGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775833452 724069555 /nfs/dbraw/zinc/06/95/55/724069555.db2.gz JFBJIOJOAJPQKK-OAHLLOKOSA-N 1 0 364.486 3.406 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000800238421 724170211 /nfs/dbraw/zinc/17/02/11/724170211.db2.gz UAOHAGXQIPSBBL-UHFFFAOYSA-N 1 0 365.455 3.494 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1O ZINC000800290205 724175886 /nfs/dbraw/zinc/17/58/86/724175886.db2.gz VWSDPHZQNKKYBL-HNNXBMFYSA-N 1 0 366.255 3.377 20 10 FGCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(F)(F)F ZINC000777011276 724205888 /nfs/dbraw/zinc/20/58/88/724205888.db2.gz MQQXUUCCGPUFAB-XHDPSFHLSA-N 1 0 366.811 3.405 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000784682795 724872188 /nfs/dbraw/zinc/87/21/88/724872188.db2.gz MFZRXEMBBDRMAT-HOTGVXAUSA-N 1 0 356.260 3.211 20 10 FGCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2O)c1 ZINC000786579012 724989765 /nfs/dbraw/zinc/98/97/65/724989765.db2.gz MXEZFGMBEVACAX-KRWDZBQOSA-N 1 0 364.283 3.465 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@]1(C)CCCO1 ZINC000788548870 725072080 /nfs/dbraw/zinc/07/20/80/725072080.db2.gz ULKSVSAPVHMRDE-UIVXKWKOSA-N 1 0 350.478 3.487 20 10 FGCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808706572 725214336 /nfs/dbraw/zinc/21/43/36/725214336.db2.gz NICREHNTRIVILG-RISCZKNCSA-N 1 0 360.907 3.146 20 10 FGCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809713989 725261934 /nfs/dbraw/zinc/26/19/34/725261934.db2.gz SRISHBHMZTUZIY-CQSZACIVSA-N 1 0 355.276 3.035 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c(O)c1 ZINC000809720326 725262381 /nfs/dbraw/zinc/26/23/81/725262381.db2.gz DCYWLKXRIYBICQ-MRXNPFEDSA-N 1 0 350.459 3.280 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1O ZINC000810217027 725297514 /nfs/dbraw/zinc/29/75/14/725297514.db2.gz VDZHJAMPVQCKSZ-DZKIICNBSA-N 1 0 358.404 3.315 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000810252229 725299974 /nfs/dbraw/zinc/29/99/74/725299974.db2.gz AMPBKARKTIRIGT-ZIAGYGMSSA-N 1 0 360.889 3.108 20 10 FGCDRO COc1cc(N2CC[NH+](CC3(SC)CCC3)CC2)cc(OC)c1OC ZINC000811489403 725368909 /nfs/dbraw/zinc/36/89/09/725368909.db2.gz CTJIFOJBTJUNFY-UHFFFAOYSA-N 1 0 366.527 3.120 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1F ZINC000811877335 725383736 /nfs/dbraw/zinc/38/37/36/725383736.db2.gz LNAOOGJHKSGOPQ-OAHLLOKOSA-N 1 0 352.498 3.200 20 10 FGCDRO Oc1c(F)cc(Cl)cc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000812779031 726809952 /nfs/dbraw/zinc/80/99/52/726809952.db2.gz TYTQLRBYSXFQSO-INIZCTEOSA-N 1 0 350.821 3.363 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000814178446 726945558 /nfs/dbraw/zinc/94/55/58/726945558.db2.gz PZQGHYNRJYOYHW-CQSZACIVSA-N 1 0 370.287 3.412 20 10 FGCDRO Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000815122716 727041670 /nfs/dbraw/zinc/04/16/70/727041670.db2.gz OWJGVTQMURNRBW-UHFFFAOYSA-N 1 0 358.869 3.401 20 10 FGCDRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)(F)F ZINC000815835525 727101021 /nfs/dbraw/zinc/10/10/21/727101021.db2.gz WSRQOZRMMFJZCZ-SMDDNHRTSA-N 1 0 360.832 3.418 20 10 FGCDRO O=S(=O)(CCC[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816544826 727173774 /nfs/dbraw/zinc/17/37/74/727173774.db2.gz VHZIKZNKOGHNNB-UHFFFAOYSA-N 1 0 355.459 3.499 20 10 FGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1 ZINC000817573106 727266566 /nfs/dbraw/zinc/26/65/66/727266566.db2.gz BAIGYUMMIKWLRE-HNNXBMFYSA-N 1 0 350.478 3.224 20 10 FGCDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1=O ZINC000817589866 727268841 /nfs/dbraw/zinc/26/88/41/727268841.db2.gz QORODCSUUQZFMD-CHWSQXEVSA-N 1 0 369.303 3.372 20 10 FGCDRO COCCc1nc(C)c([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817941377 727288810 /nfs/dbraw/zinc/28/88/10/727288810.db2.gz JPDQBNGDFHYXLP-GUYCJALGSA-N 1 0 362.543 3.057 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000817960171 727289557 /nfs/dbraw/zinc/28/95/57/727289557.db2.gz XXDSEGCJEYDMCP-NHYWBVRUSA-N 1 0 357.292 3.123 20 10 FGCDRO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982677 727290244 /nfs/dbraw/zinc/29/02/44/727290244.db2.gz VIMBEUAEENNHTG-LIRRHRJNSA-N 1 0 351.922 3.345 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+]C2(CF)CCOCC2)ccc1N1CCCCC1 ZINC000824691218 729355592 /nfs/dbraw/zinc/35/55/92/729355592.db2.gz ZPIPAANGANNSAR-UHFFFAOYSA-N 1 0 351.422 3.193 20 10 FGCDRO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1n1ccnc1 ZINC000824928053 729365423 /nfs/dbraw/zinc/36/54/23/729365423.db2.gz TUZNZTWQMLHUMK-WFASDCNBSA-N 1 0 350.260 3.434 20 10 FGCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c1 ZINC000825305534 729378033 /nfs/dbraw/zinc/37/80/33/729378033.db2.gz MOVBFGAMXAGAFV-QGZVFWFLSA-N 1 0 366.255 3.329 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1Cl ZINC000825940005 729400114 /nfs/dbraw/zinc/40/01/14/729400114.db2.gz KJLVGQVIBDBXES-CQSZACIVSA-N 1 0 362.857 3.454 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(OC)c3O)C2)cc1 ZINC000826845511 729416814 /nfs/dbraw/zinc/41/68/14/729416814.db2.gz JVGQVGXKPQDNAD-OAHLLOKOSA-N 1 0 362.857 3.431 20 10 FGCDRO COC[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000827873437 729436314 /nfs/dbraw/zinc/43/63/14/729436314.db2.gz UYSOBACEVILYBC-HNNXBMFYSA-N 1 0 361.873 3.294 20 10 FGCDRO C[C@H](SCc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273268 729701374 /nfs/dbraw/zinc/70/13/74/729701374.db2.gz MKTWECXSQYARPK-HNAYVOBHSA-N 1 0 357.523 3.191 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000832284340 729702180 /nfs/dbraw/zinc/70/21/80/729702180.db2.gz JBHXGSKIUDEZIE-INIZCTEOSA-N 1 0 351.372 3.201 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000832292954 729703180 /nfs/dbraw/zinc/70/31/80/729703180.db2.gz NXUPBYXZFITSQV-QGZVFWFLSA-N 1 0 366.292 3.418 20 10 FGCDRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483479 730034313 /nfs/dbraw/zinc/03/43/13/730034313.db2.gz AVYSHEAFOKBLRD-APWZRJJASA-N 1 0 366.889 3.085 20 10 FGCDRO CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000840884024 730187916 /nfs/dbraw/zinc/18/79/16/730187916.db2.gz OGGFNXHERRZYFY-ZDUSSCGKSA-N 1 0 351.390 3.029 20 10 FGCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000840888928 730188433 /nfs/dbraw/zinc/18/84/33/730188433.db2.gz BDNYGMVDCNPLAY-NSHDSACASA-N 1 0 365.417 3.277 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c(Cl)c1 ZINC000840947965 730195562 /nfs/dbraw/zinc/19/55/62/730195562.db2.gz IBBFGPWKFRPOPH-AWEZNQCLSA-N 1 0 351.878 3.124 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000840967111 730198649 /nfs/dbraw/zinc/19/86/49/730198649.db2.gz LFHZTBQJQZOHDK-OAHLLOKOSA-N 1 0 364.804 3.088 20 10 FGCDRO [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000841103280 730211838 /nfs/dbraw/zinc/21/18/38/730211838.db2.gz FWMIUHMEJABLOU-GDBMZVCRSA-N 1 0 359.297 3.417 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1O ZINC000841745918 730270198 /nfs/dbraw/zinc/27/01/98/730270198.db2.gz BUWYDUALWWGZCM-JQWIXIFHSA-N 1 0 357.784 3.414 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1O ZINC000842476815 730506988 /nfs/dbraw/zinc/50/69/88/730506988.db2.gz HPGFTJANRGUASN-FUHWJXTLSA-N 1 0 362.832 3.314 20 10 FGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126640 730588811 /nfs/dbraw/zinc/58/88/11/730588811.db2.gz MLIRQBBIICTLNC-KGLIPLIRSA-N 1 0 353.304 3.366 20 10 FGCDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844908406 730787992 /nfs/dbraw/zinc/78/79/92/730787992.db2.gz SKOPVRCQNQCHCE-QGZVFWFLSA-N 1 0 361.873 3.018 20 10 FGCDRO C[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccccc1 ZINC000845082259 730808507 /nfs/dbraw/zinc/80/85/07/730808507.db2.gz VZRSBDNHCNTRAL-FUHWJXTLSA-N 1 0 359.857 3.290 20 10 FGCDRO OC[C@@H](CCF)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000846095918 730928462 /nfs/dbraw/zinc/92/84/62/730928462.db2.gz CLTSAFIAZMNRNH-CQSZACIVSA-N 1 0 359.283 3.250 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1 ZINC000846107693 730929311 /nfs/dbraw/zinc/92/93/11/730929311.db2.gz YKBDDJMTOKUROY-FQEVSTJZSA-N 1 0 360.523 3.406 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@]2(O)CCCOC2)cc1 ZINC000846107695 730929424 /nfs/dbraw/zinc/92/94/24/730929424.db2.gz YKBDDJMTOKUROY-HXUWFJFHSA-N 1 0 360.523 3.406 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c1O ZINC000846142527 730931791 /nfs/dbraw/zinc/93/17/91/730931791.db2.gz AQIAVHMCNUMGQO-IUODEOHRSA-N 1 0 350.459 3.355 20 10 FGCDRO CC[N@H+](CCCc1cncn1C)Cc1cc(Br)ccc1O ZINC000846809169 730982640 /nfs/dbraw/zinc/98/26/40/730982640.db2.gz XNVUGEMPFAPCFP-UHFFFAOYSA-N 1 0 352.276 3.343 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[C@@H](C)SC3)CC2)cc1 ZINC000848516176 731173862 /nfs/dbraw/zinc/17/38/62/731173862.db2.gz AKWOIUGKNHJNGE-MSOLQXFVSA-N 1 0 363.571 3.081 20 10 FGCDRO CCN(CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O)C1CC1 ZINC000848526077 731175270 /nfs/dbraw/zinc/17/52/70/731175270.db2.gz VLPOJGZGCGBYRS-LLVKDONJSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000848531502 731176418 /nfs/dbraw/zinc/17/64/18/731176418.db2.gz PHQDZAQJGWRZKR-NEPJUHHUSA-N 1 0 357.292 3.156 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1O ZINC000848533651 731176731 /nfs/dbraw/zinc/17/67/31/731176731.db2.gz TUQUJTYKZNFQDP-GMXVVIOVSA-N 1 0 374.275 3.008 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCc2nc(C)no2)c1O ZINC000848534117 731176937 /nfs/dbraw/zinc/17/69/37/731176937.db2.gz MWOFMNZGYNVILC-VIFPVBQESA-N 1 0 370.247 3.138 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOCC(F)F)c1O ZINC000848547536 731179394 /nfs/dbraw/zinc/17/93/94/731179394.db2.gz QMEVVSYWQIZNKL-MRVPVSSYSA-N 1 0 354.191 3.096 20 10 FGCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000848894607 731218388 /nfs/dbraw/zinc/21/83/88/731218388.db2.gz LGSXCWZQXMOUJZ-UHFFFAOYSA-N 1 0 353.871 3.172 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCN(c3ccccc3Cl)C1)OCO2 ZINC000850344867 731344998 /nfs/dbraw/zinc/34/49/98/731344998.db2.gz ZOJFEYPUHDDHJC-ZDUSSCGKSA-N 1 0 360.841 3.390 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+]CCO[C@@H]2CC2(F)F)ccc1N1CCCCC1 ZINC000850365539 731348678 /nfs/dbraw/zinc/34/86/78/731348678.db2.gz JQOWDZZSHILEAY-MRXNPFEDSA-N 1 0 355.385 3.099 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000850422525 731355451 /nfs/dbraw/zinc/35/54/51/731355451.db2.gz TVAKUAGUDUFXJP-SFHVURJKSA-N 1 0 363.571 3.083 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Br)ccc1O ZINC000850503638 731365988 /nfs/dbraw/zinc/36/59/88/731365988.db2.gz YGJIDLSYZUBSQU-IUNRRVLSSA-N 1 0 360.317 3.495 20 10 FGCDRO CCC1(C)CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000850505309 731366066 /nfs/dbraw/zinc/36/60/66/731366066.db2.gz APJVBDCZYTXQHT-UHFFFAOYSA-N 1 0 364.555 3.370 20 10 FGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(Cl)ccc1O ZINC000850558193 731372766 /nfs/dbraw/zinc/37/27/66/731372766.db2.gz VEKHRDUNKJSQSI-MORSLUCNSA-N 1 0 350.890 3.340 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852587483 731605804 /nfs/dbraw/zinc/60/58/04/731605804.db2.gz YVRSFDAQZUOOME-OAHLLOKOSA-N 1 0 351.878 3.252 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cscc2C(F)(F)F)cc1 ZINC000856995509 732089279 /nfs/dbraw/zinc/08/92/79/732089279.db2.gz YIYCKBMBHUZYBQ-AWEZNQCLSA-N 1 0 357.401 3.263 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000858095482 732180020 /nfs/dbraw/zinc/18/00/20/732180020.db2.gz ORVAFRYIBRENLB-UHFFFAOYSA-N 1 0 362.271 3.440 20 10 FGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Br)c(OC)c1 ZINC000858100835 732180525 /nfs/dbraw/zinc/18/05/25/732180525.db2.gz OPUZHKQBSPCKRD-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)N1CCCC[C@H]1C ZINC000858121802 732182436 /nfs/dbraw/zinc/18/24/36/732182436.db2.gz AHGYNIMFEKAMTE-NEPJUHHUSA-N 1 0 355.276 3.034 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000858136426 732184346 /nfs/dbraw/zinc/18/43/46/732184346.db2.gz SCDABAXQJDOZPU-UHFFFAOYSA-N 1 0 350.212 3.216 20 10 FGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Br)c1ccc(F)cc1 ZINC000858177675 732189343 /nfs/dbraw/zinc/18/93/43/732189343.db2.gz GGHIJVXPSBYHQY-LBPRGKRZSA-N 1 0 354.219 3.160 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1O ZINC000858223146 732194047 /nfs/dbraw/zinc/19/40/47/732194047.db2.gz YDXNOWGIEMTDRN-CXAGYDPISA-N 1 0 353.340 3.425 20 10 FGCDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000858473870 732218285 /nfs/dbraw/zinc/21/82/85/732218285.db2.gz RFAPKTXMEMIDGY-MFKMUULPSA-N 1 0 354.244 3.376 20 10 FGCDRO CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241901 732480210 /nfs/dbraw/zinc/48/02/10/732480210.db2.gz MZTJELHLFTZIDH-SJLPKXTDSA-N 1 0 368.905 3.187 20 10 FGCDRO CCN(CC[NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000861629601 732712146 /nfs/dbraw/zinc/71/21/46/732712146.db2.gz JPNYQWDMUWVXQV-CQSZACIVSA-N 1 0 352.910 3.067 20 10 FGCDRO CCCC(=O)NC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862228621 732790684 /nfs/dbraw/zinc/79/06/84/732790684.db2.gz TXMQVJAADUBNLE-UHFFFAOYSA-N 1 0 355.276 3.035 20 10 FGCDRO Oc1cccc(Br)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000862248004 732797919 /nfs/dbraw/zinc/79/79/19/732797919.db2.gz GLBAQHZEBBYVTP-AWEZNQCLSA-N 1 0 353.304 3.463 20 10 FGCDRO Cn1cc([C@H]2CSCCN2Cc2c(O)cccc2Br)cn1 ZINC000862342772 732812036 /nfs/dbraw/zinc/81/20/36/732812036.db2.gz MUWLTDBJMRGJTJ-CQSZACIVSA-N 1 0 368.300 3.178 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000862512767 732842336 /nfs/dbraw/zinc/84/23/36/732842336.db2.gz HLIFOUAPKXNXCW-OAHLLOKOSA-N 1 0 370.877 3.080 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccncc3Br)C2)cc1 ZINC000865622302 733239904 /nfs/dbraw/zinc/23/99/04/733239904.db2.gz RZCOGTKNHQRFQS-AWEZNQCLSA-N 1 0 362.271 3.221 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000865791391 733270600 /nfs/dbraw/zinc/27/06/00/733270600.db2.gz WHVRKDWEZCISML-OTVXOJSOSA-N 1 0 350.459 3.184 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cc(Cl)ccc1O ZINC000866577411 733369252 /nfs/dbraw/zinc/36/92/52/733369252.db2.gz OJKMPXFTIKGCPV-CYBMUJFWSA-N 1 0 359.857 3.422 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccc(Cl)cc1O ZINC000866576968 733369335 /nfs/dbraw/zinc/36/93/35/733369335.db2.gz LITTWUJUMFXVTC-CYBMUJFWSA-N 1 0 359.857 3.422 20 10 FGCDRO COc1ccc(C[NH2+]CCc2nc(C)c(C)s2)cc1Cn1cccn1 ZINC000873076860 735717770 /nfs/dbraw/zinc/71/77/70/735717770.db2.gz CGBFVVDBZMWYOL-UHFFFAOYSA-N 1 0 356.495 3.346 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)cc(F)c1[O-] ZINC000873263057 735744379 /nfs/dbraw/zinc/74/43/79/735744379.db2.gz FAISCHKHFGHJQM-VCDKRKBESA-N 1 0 357.267 3.475 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(C(F)F)c2F)cc1 ZINC000876507051 736108741 /nfs/dbraw/zinc/10/87/41/736108741.db2.gz UPJIINPICJVDCF-OAHLLOKOSA-N 1 0 351.372 3.259 20 10 FGCDRO COC(=O)c1coc(C[NH2+]Cc2cc(Br)cc(C)c2O)c1 ZINC000877699467 736707877 /nfs/dbraw/zinc/70/78/77/736707877.db2.gz LSWJMPJRMBSCTK-UHFFFAOYSA-N 1 0 354.200 3.133 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Br)cc1O ZINC000883276131 737544567 /nfs/dbraw/zinc/54/45/67/737544567.db2.gz GMKVJEZBUKFICP-WCQYABFASA-N 1 0 354.244 3.250 20 10 FGCDRO CC[C@@H](CC(F)(F)F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248345 739885862 /nfs/dbraw/zinc/88/58/62/739885862.db2.gz LQTIWKLDVCLQQW-BBRMVZONSA-N 1 0 359.436 3.450 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(F)F)o2)[NH+](C)C)cc1 ZINC000891247258 739886130 /nfs/dbraw/zinc/88/61/30/739886130.db2.gz SECYMYSJVHMVSD-AWEZNQCLSA-N 1 0 351.397 3.316 20 10 FGCDRO CC(C)c1nnc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000894843000 742341782 /nfs/dbraw/zinc/34/17/82/742341782.db2.gz GLQPJWVORBDDEP-UHFFFAOYSA-N 1 0 368.453 3.066 20 10 FGCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000895714576 742445906 /nfs/dbraw/zinc/44/59/06/742445906.db2.gz VFKYHARFYUHWIY-FVNWOWOISA-N 1 0 355.356 3.479 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000895847878 742462351 /nfs/dbraw/zinc/46/23/51/742462351.db2.gz WWBIOKYRBYGRGX-RISCZKNCSA-N 1 0 356.260 3.164 20 10 FGCDRO COc1c([O-])c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000896226212 742517292 /nfs/dbraw/zinc/51/72/92/742517292.db2.gz DJJZRWUQUKGYNY-ZDUSSCGKSA-N 1 0 364.295 3.175 20 10 FGCDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000896961577 742622163 /nfs/dbraw/zinc/62/21/63/742622163.db2.gz DWDCZSLSUUUFBY-UHFFFAOYSA-N 1 0 361.360 3.108 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)ccc1O ZINC000903390659 743843797 /nfs/dbraw/zinc/84/37/97/743843797.db2.gz SPAYQUPUIATUDT-IAQYHMDHSA-N 1 0 356.260 3.143 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000903424242 743848569 /nfs/dbraw/zinc/84/85/69/743848569.db2.gz OYRVFPVNXKPLOV-LBPRGKRZSA-N 1 0 368.886 3.292 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1O ZINC000903478570 743854781 /nfs/dbraw/zinc/85/47/81/743854781.db2.gz GZJBZKJFCZNXKC-MNOVXSKESA-N 1 0 366.259 3.025 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C(F)F)c(F)c2)cc1 ZINC000911667924 757202063 /nfs/dbraw/zinc/20/20/63/757202063.db2.gz UHWATDXXGUYYQY-MRXNPFEDSA-N 1 0 351.372 3.259 20 10 FGCDRO CC1([NH+]2CCC2)CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000921447726 758717370 /nfs/dbraw/zinc/71/73/70/758717370.db2.gz QYDLDGKYGUACLM-UHFFFAOYSA-N 1 0 368.572 3.332 20 10 FGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000922969246 759043147 /nfs/dbraw/zinc/04/31/47/759043147.db2.gz YWOWJMMPIUGOHX-KGLIPLIRSA-N 1 0 350.459 3.184 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3[C@H](C)COC[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000924716211 759376040 /nfs/dbraw/zinc/37/60/40/759376040.db2.gz NVZFUOQCSHRKKU-KLHDSHLOSA-N 1 0 350.478 3.200 20 10 FGCDRO Cc1nonc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925160260 759456958 /nfs/dbraw/zinc/45/69/58/759456958.db2.gz KXIFCLDIXXJUEV-DGCLKSJQSA-N 1 0 352.385 3.299 20 10 FGCDRO CCC1([NH3+])CCN([C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000925756673 759533161 /nfs/dbraw/zinc/53/31/61/759533161.db2.gz ONLMGIKWXOSHKH-HNNXBMFYSA-N 1 0 351.922 3.441 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccccc2S(C)(=O)=O)cc1 ZINC000926908126 759842847 /nfs/dbraw/zinc/84/28/47/759842847.db2.gz NGPRIGJHXUETOD-INIZCTEOSA-N 1 0 360.523 3.440 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOC2CCOCC2)c1O ZINC000927075982 759886508 /nfs/dbraw/zinc/88/65/08/759886508.db2.gz ANCUMZGFIGMIAV-NSHDSACASA-N 1 0 374.275 3.010 20 10 FGCDRO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1O ZINC000779012469 724380672 /nfs/dbraw/zinc/38/06/72/724380672.db2.gz DVVKHCIOMBMZSJ-UHFFFAOYSA-N 1 0 353.340 3.375 20 10 FGCDRO O=C(Nc1nncs1)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000054388907 494229016 /nfs/dbraw/zinc/22/90/16/494229016.db2.gz SADMVPGELHXGBB-UHFFFAOYSA-N 1 0 368.462 3.248 20 10 FGCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N3CCCCC3)cc1)CC2 ZINC000090395067 494461727 /nfs/dbraw/zinc/46/17/27/494461727.db2.gz RBCRKLGWBNELAN-SJLPKXTDSA-N 1 0 369.513 3.080 20 10 FGCDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000074336994 494521361 /nfs/dbraw/zinc/52/13/61/494521361.db2.gz ZRLYLKOVXDSRQH-MRXNPFEDSA-N 1 0 353.466 3.332 20 10 FGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000092661177 494701751 /nfs/dbraw/zinc/70/17/51/494701751.db2.gz XIZMLPKQQVQHAT-MRXNPFEDSA-N 1 0 370.287 3.315 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000092753992 494735890 /nfs/dbraw/zinc/73/58/90/494735890.db2.gz ANXAEOXXUMFNEX-UHFFFAOYSA-N 1 0 366.509 3.300 20 10 FGCDRO Cc1nc(CN2CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)no1 ZINC000093274029 494855327 /nfs/dbraw/zinc/85/53/27/494855327.db2.gz DYXXMMASUSBSDI-UHFFFAOYSA-N 1 0 364.449 3.068 20 10 FGCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265619 495128202 /nfs/dbraw/zinc/12/82/02/495128202.db2.gz JOXKNQDQQLNASC-KSSFIOAISA-N 1 0 373.884 3.325 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000113327058 495296762 /nfs/dbraw/zinc/29/67/62/495296762.db2.gz HLJTYHBUEIVNBZ-UHFFFAOYSA-N 1 0 364.848 3.436 20 10 FGCDRO COC(=O)/C=C/c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150890443 495670502 /nfs/dbraw/zinc/67/05/02/495670502.db2.gz PCVAGNMXPGEJJY-UGAXZCSASA-N 1 0 373.453 3.236 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000179933281 495789978 /nfs/dbraw/zinc/78/99/78/495789978.db2.gz JFQPCRUGNGBJKP-UHFFFAOYSA-N 1 0 366.421 3.225 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2ccccc2c1O ZINC000186082177 495848447 /nfs/dbraw/zinc/84/84/47/495848447.db2.gz FYYKQPHWEAKAFA-RDTXWAMCSA-N 1 0 364.449 3.125 20 10 FGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1 ZINC000151529390 495869346 /nfs/dbraw/zinc/86/93/46/495869346.db2.gz DHYUGHOPYKHCOP-CYBMUJFWSA-N 1 0 358.461 3.044 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174283969 495894017 /nfs/dbraw/zinc/89/40/17/495894017.db2.gz XBAOLLQHIABLNR-HNNXBMFYSA-N 1 0 362.495 3.110 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000160442782 495963824 /nfs/dbraw/zinc/96/38/24/495963824.db2.gz CSSKLRBHTCBLBI-SFHVURJKSA-N 1 0 353.510 3.436 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1O ZINC000183428546 495978691 /nfs/dbraw/zinc/97/86/91/495978691.db2.gz BFIDACRQIXTPOT-LSDHHAIUSA-N 1 0 354.450 3.461 20 10 FGCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000180726371 496120440 /nfs/dbraw/zinc/12/04/40/496120440.db2.gz CTDMEPLESHDBMF-SUQGKYDKSA-N 1 0 358.482 3.082 20 10 FGCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161367237 496161469 /nfs/dbraw/zinc/16/14/69/496161469.db2.gz AUXDXKSKUXKVKB-QVKFZJNVSA-N 1 0 374.456 3.055 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(COC)cc3)c2)CC1 ZINC000184255278 496305403 /nfs/dbraw/zinc/30/54/03/496305403.db2.gz ZTKLIRXAZOONOO-UHFFFAOYSA-N 1 0 353.466 3.227 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)CC1 ZINC000184260967 496308343 /nfs/dbraw/zinc/30/83/43/496308343.db2.gz QTADZJPCFRBSDX-UHFFFAOYSA-N 1 0 368.437 3.297 20 10 FGCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187307629 496386156 /nfs/dbraw/zinc/38/61/56/496386156.db2.gz FYONBAULTKPBQZ-YPMHNXCESA-N 1 0 355.276 3.125 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000187527521 496476836 /nfs/dbraw/zinc/47/68/36/496476836.db2.gz XRWNODSMDSVCDR-HXUWFJFHSA-N 1 0 371.412 3.161 20 10 FGCDRO CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000185014227 496623396 /nfs/dbraw/zinc/62/33/96/496623396.db2.gz NPELRYZYVSXOCO-CYBMUJFWSA-N 1 0 360.329 3.377 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000167862168 496707317 /nfs/dbraw/zinc/70/73/17/496707317.db2.gz SZSVFGPBHFCKQY-IHWFROFDSA-N 1 0 355.526 3.460 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000273365469 496784619 /nfs/dbraw/zinc/78/46/19/496784619.db2.gz BGLJOIODRSMWKQ-KUHUBIRLSA-N 1 0 351.450 3.190 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387931 496790809 /nfs/dbraw/zinc/79/08/09/496790809.db2.gz KAESHYUUTQUEKN-CQSZACIVSA-N 1 0 359.426 3.092 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268846666 496801407 /nfs/dbraw/zinc/80/14/07/496801407.db2.gz JEOSLZQRGNOYPF-KHYOSLBOSA-N 1 0 360.477 3.414 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000273591931 496848236 /nfs/dbraw/zinc/84/82/36/496848236.db2.gz PNCUFEDXIILKSY-MPGHIAIKSA-N 1 0 365.474 3.088 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000273623277 496856257 /nfs/dbraw/zinc/85/62/57/496856257.db2.gz ZUMRMWLVVCLWCA-KUHUBIRLSA-N 1 0 351.450 3.190 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1O ZINC000188749206 496896687 /nfs/dbraw/zinc/89/66/87/496896687.db2.gz AQQQFXCVQXHEGE-UHFFFAOYSA-N 1 0 366.811 3.418 20 10 FGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000264954481 497018486 /nfs/dbraw/zinc/01/84/86/497018486.db2.gz LVKJRQIADINQKN-UHFFFAOYSA-N 1 0 373.884 3.004 20 10 FGCDRO CC1CC[NH+]([C@H](CNC(=O)Cc2ccc(N)cc2)c2cccs2)CC1 ZINC000236660284 497129035 /nfs/dbraw/zinc/12/90/35/497129035.db2.gz AKNCXCARNRVACB-GOSISDBHSA-N 1 0 357.523 3.462 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1O ZINC000274742015 497155835 /nfs/dbraw/zinc/15/58/35/497155835.db2.gz AHXKCYLSXQUFBJ-KDOFPFPSSA-N 1 0 362.495 3.444 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1ccccc1O ZINC000274896970 497193871 /nfs/dbraw/zinc/19/38/71/497193871.db2.gz KKIBJOSHPJVGFE-HXUWFJFHSA-N 1 0 367.493 3.302 20 10 FGCDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237192379 497202899 /nfs/dbraw/zinc/20/28/99/497202899.db2.gz MWXLOIAYLZRSAC-UHFFFAOYSA-N 1 0 351.494 3.182 20 10 FGCDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000274974700 497209003 /nfs/dbraw/zinc/20/90/03/497209003.db2.gz DTDIPDRLCONRBF-CYBMUJFWSA-N 1 0 352.356 3.046 20 10 FGCDRO COc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCCC2)cc1 ZINC000237325399 497220064 /nfs/dbraw/zinc/22/00/64/497220064.db2.gz SCNDFTVWWBKIBF-NRFANRHFSA-N 1 0 367.493 3.163 20 10 FGCDRO CCOCc1cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC ZINC000278801911 497225238 /nfs/dbraw/zinc/22/52/38/497225238.db2.gz XRTLJQCIYHHXOY-UHFFFAOYSA-N 1 0 370.409 3.306 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1 ZINC000271143037 497272085 /nfs/dbraw/zinc/27/20/85/497272085.db2.gz BNLVCRSNHDQYFV-UHFFFAOYSA-N 1 0 370.449 3.347 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000271823836 497461472 /nfs/dbraw/zinc/46/14/72/497461472.db2.gz OENGPXUCZSUBSX-LLVKDONJSA-N 1 0 356.397 3.104 20 10 FGCDRO C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1=CC[N@H+](C)CC1 ZINC000273024138 497786178 /nfs/dbraw/zinc/78/61/78/497786178.db2.gz UFPOECQMOUNFDF-INIZCTEOSA-N 1 0 356.514 3.077 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000295953214 497866654 /nfs/dbraw/zinc/86/66/54/497866654.db2.gz ITXWYSSWNXVRFV-SPEDKVCISA-N 1 0 374.525 3.070 20 10 FGCDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)ccc1O ZINC000281082372 498013705 /nfs/dbraw/zinc/01/37/05/498013705.db2.gz PGXZCNVQTJBJBE-XCLFUZPHSA-N 1 0 360.317 3.497 20 10 FGCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000364622613 498054900 /nfs/dbraw/zinc/05/49/00/498054900.db2.gz LIWJDPJZVWACQW-HXUWFJFHSA-N 1 0 373.541 3.110 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000281294551 498092711 /nfs/dbraw/zinc/09/27/11/498092711.db2.gz YHGWVFHHKSSTNY-WCQYABFASA-N 1 0 355.276 3.064 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3nc(C4CC4)ns3)cc2F)CC1 ZINC000301517647 498144470 /nfs/dbraw/zinc/14/44/70/498144470.db2.gz MFMNFNWHTLVVAY-UHFFFAOYSA-N 1 0 361.490 3.309 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c1O ZINC000289571553 498199114 /nfs/dbraw/zinc/19/91/14/498199114.db2.gz ZRYLRZVSPBDYDL-UHFFFAOYSA-N 1 0 353.321 3.021 20 10 FGCDRO Cn1ccnc1-c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000360056339 498240906 /nfs/dbraw/zinc/24/09/06/498240906.db2.gz IFDGFGZRYIULMK-UHFFFAOYSA-N 1 0 362.477 3.214 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000296946173 498262419 /nfs/dbraw/zinc/26/24/19/498262419.db2.gz HFCNDAJJAWFMQT-VCSGRIEYSA-N 1 0 370.541 3.347 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000289855375 498324713 /nfs/dbraw/zinc/32/47/13/498324713.db2.gz BKPOMWSIRWREDE-QYWGDWMGSA-N 1 0 358.457 3.435 20 10 FGCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000297176678 498344772 /nfs/dbraw/zinc/34/47/72/498344772.db2.gz PUVZJMFTELVRTA-LJQANCHMSA-N 1 0 373.541 3.040 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1F ZINC000293736810 498471931 /nfs/dbraw/zinc/47/19/31/498471931.db2.gz NETOHDVRBJFNDX-UHFFFAOYSA-N 1 0 370.534 3.365 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc1OC ZINC000293796854 498492164 /nfs/dbraw/zinc/49/21/64/498492164.db2.gz CXYATPDNSQWKOH-HXUWFJFHSA-N 1 0 357.450 3.403 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297605760 498509753 /nfs/dbraw/zinc/50/97/53/498509753.db2.gz GASYHVPFGQDWQJ-UHFFFAOYSA-N 1 0 351.454 3.132 20 10 FGCDRO O=S1(=O)CCC[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000294287614 498645348 /nfs/dbraw/zinc/64/53/48/498645348.db2.gz MQQHLQLCGFJDTN-AZUAARDMSA-N 1 0 373.518 3.481 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000287229338 498681124 /nfs/dbraw/zinc/68/11/24/498681124.db2.gz YCROLFGBOYXCNB-IRXDYDNUSA-N 1 0 350.528 3.152 20 10 FGCDRO CC(C)S(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294408312 498685247 /nfs/dbraw/zinc/68/52/47/498685247.db2.gz SWWRVGPDHCRXOI-LJQANCHMSA-N 1 0 361.507 3.479 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000287616977 498814362 /nfs/dbraw/zinc/81/43/62/498814362.db2.gz JQAHSDKLJOSNAV-AEFFLSMTSA-N 1 0 372.431 3.095 20 10 FGCDRO CS(=O)(=O)CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000294832185 498819938 /nfs/dbraw/zinc/81/99/38/498819938.db2.gz REGHGLHTBDBBIQ-LJQANCHMSA-N 1 0 373.518 3.481 20 10 FGCDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000291241725 498859335 /nfs/dbraw/zinc/85/93/35/498859335.db2.gz LGNRYWCNHOBZSM-HXUWFJFHSA-N 1 0 357.450 3.355 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363750108 498973631 /nfs/dbraw/zinc/97/36/31/498973631.db2.gz MFZWNFJGROLKLS-LPHOPBHVSA-N 1 0 352.482 3.103 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c(O)c1 ZINC000363862359 499028898 /nfs/dbraw/zinc/02/88/98/499028898.db2.gz YUCVPFREIZTXOL-HOCLYGCPSA-N 1 0 356.470 3.276 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)c1O ZINC000366690726 499035262 /nfs/dbraw/zinc/03/52/62/499035262.db2.gz QDCFHMGVUWQBFR-HOTGVXAUSA-N 1 0 352.862 3.030 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1O ZINC000367068206 499143153 /nfs/dbraw/zinc/14/31/53/499143153.db2.gz PXTZTGHJAOLRSJ-JJMVLAAESA-N 1 0 367.287 3.171 20 10 FGCDRO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@H](CC)c3ccccc3O)CC2)n1 ZINC000367321325 499180883 /nfs/dbraw/zinc/18/08/83/499180883.db2.gz FYLJMADXJRQRLL-OAHLLOKOSA-N 1 0 358.442 3.018 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1O ZINC000368374236 499290017 /nfs/dbraw/zinc/29/00/17/499290017.db2.gz KDQUINNHLIEPGK-NVXWUHKLSA-N 1 0 356.470 3.358 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799043 499333885 /nfs/dbraw/zinc/33/38/85/499333885.db2.gz UMZYBYHUBKCAPX-HZPDHXFCSA-N 1 0 366.465 3.459 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000371971894 499385512 /nfs/dbraw/zinc/38/55/12/499385512.db2.gz BIHOMUSUVVPCBF-SOUVJXGZSA-N 1 0 358.404 3.426 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c(O)c1 ZINC000372391641 499428143 /nfs/dbraw/zinc/42/81/43/499428143.db2.gz FHVVYDPFWPYLBL-UHFFFAOYSA-N 1 0 369.465 3.427 20 10 FGCDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)cc1 ZINC000372423371 499433029 /nfs/dbraw/zinc/43/30/29/499433029.db2.gz XIEWRWWNQRLCGE-OAHLLOKOSA-N 1 0 373.522 3.291 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373536306 499475650 /nfs/dbraw/zinc/47/56/50/499475650.db2.gz VNRIHEHATUGOKG-LJQANCHMSA-N 1 0 358.825 3.150 20 10 FGCDRO CC[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(C)cc1O ZINC000376572472 499619631 /nfs/dbraw/zinc/61/96/31/499619631.db2.gz SRCHOIVFHJOGGU-MSOLQXFVSA-N 1 0 354.450 3.381 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000377709041 499723763 /nfs/dbraw/zinc/72/37/63/499723763.db2.gz UDMHCXAWQMLOTQ-WJPUGNRLSA-N 1 0 355.482 3.482 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)ccc21 ZINC000489312674 502925897 /nfs/dbraw/zinc/92/58/97/502925897.db2.gz GYOASNZNRCRCQD-NRFANRHFSA-N 1 0 371.525 3.317 20 10 FGCDRO CCOCC(C)(C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000502086573 503141672 /nfs/dbraw/zinc/14/16/72/503141672.db2.gz BKYBYGOWWUAGHP-UHFFFAOYSA-N 1 0 371.525 3.339 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+]3CC=C(C)CC3)ccc21 ZINC000506653760 503150029 /nfs/dbraw/zinc/15/00/29/503150029.db2.gz MAZXXMXQHJTQFG-UHFFFAOYSA-N 1 0 369.509 3.286 20 10 FGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248088 503894671 /nfs/dbraw/zinc/89/46/71/503894671.db2.gz FQYKWQLFFJBQQB-OAHLLOKOSA-N 1 0 359.297 3.290 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(Br)cc1O ZINC000528016359 504041132 /nfs/dbraw/zinc/04/11/32/504041132.db2.gz SHZFNSZJODSBQP-LBPRGKRZSA-N 1 0 369.303 3.454 20 10 FGCDRO COc1cc(O)c(CN2CCc3nc(C(C)(C)C)ncc3C2)cc1OC ZINC000529640259 504750466 /nfs/dbraw/zinc/75/04/66/504750466.db2.gz HPZIPQRZLTWBQC-UHFFFAOYSA-N 1 0 357.454 3.055 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1OC ZINC000529669366 504757021 /nfs/dbraw/zinc/75/70/21/504757021.db2.gz LZCQSAMHOTXVKW-UHFFFAOYSA-N 1 0 367.449 3.213 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)ccc21 ZINC000566405303 505165494 /nfs/dbraw/zinc/16/54/94/505165494.db2.gz VWTUWKUFMIMJCR-MAUKXSAKSA-N 1 0 357.498 3.022 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)ccc21 ZINC000590705227 506917968 /nfs/dbraw/zinc/91/79/68/506917968.db2.gz RFELROUZTKKYBX-SFHVURJKSA-N 1 0 371.525 3.365 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1cccc(-c2nn[nH]n2)c1 ZINC000820426469 599396208 /nfs/dbraw/zinc/39/62/08/599396208.db2.gz KGMNQWSGANJUOX-SNVBAGLBSA-N 1 0 374.242 3.186 20 10 FGCDRO CCS[C@H]1CCCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078650699 700284524 /nfs/dbraw/zinc/28/45/24/700284524.db2.gz NTJMIZHEEOAPGI-IBGZPJMESA-N 1 0 363.571 3.319 20 10 FGCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000092585998 700437704 /nfs/dbraw/zinc/43/77/04/700437704.db2.gz IZGRVEPMIRAJOT-HNNXBMFYSA-N 1 0 350.459 3.280 20 10 FGCDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000092665214 700439456 /nfs/dbraw/zinc/43/94/56/700439456.db2.gz OLFPFJREXSLKLW-IYBDPMFKSA-N 1 0 351.922 3.036 20 10 FGCDRO COc1cccc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1O ZINC000093283122 700449946 /nfs/dbraw/zinc/44/99/46/700449946.db2.gz OKAATFCVLNPWQO-UHFFFAOYSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1ccc([C@H](C[NH2+]Cc2c(O)cccc2Cl)N(C)C)cc1OC ZINC000113313399 700570922 /nfs/dbraw/zinc/57/09/22/700570922.db2.gz AATFEWRKVJECFG-INIZCTEOSA-N 1 0 364.873 3.455 20 10 FGCDRO O=C(Nc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1)[C@@H]1CCCO1 ZINC000113327875 700571028 /nfs/dbraw/zinc/57/10/28/700571028.db2.gz VHXYRIPQPPFNNM-SFHVURJKSA-N 1 0 360.841 3.453 20 10 FGCDRO CC1=C(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000133824859 704806170 /nfs/dbraw/zinc/80/61/70/704806170.db2.gz SWOATGCUFPDOFE-MRXNPFEDSA-N 1 0 364.873 3.211 20 10 FGCDRO CCC[NH+]1CCC(CNC(=O)NCCCSc2nccs2)CC1 ZINC000152988646 704981438 /nfs/dbraw/zinc/98/14/38/704981438.db2.gz FTQBXCLVUNHBIW-UHFFFAOYSA-N 1 0 356.561 3.047 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000158542629 705189777 /nfs/dbraw/zinc/18/97/77/705189777.db2.gz MZQJRZADDHBLBT-UHFFFAOYSA-N 1 0 363.255 3.183 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163179810 705309925 /nfs/dbraw/zinc/30/99/25/705309925.db2.gz XJEXYXXCKONWLB-MGPUTAFESA-N 1 0 350.478 3.254 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163179640 705310123 /nfs/dbraw/zinc/31/01/23/705310123.db2.gz XJEXYXXCKONWLB-YWZLYKJASA-N 1 0 350.478 3.254 20 10 FGCDRO Cc1nsc(N2CCC[N@H+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000173408392 705457909 /nfs/dbraw/zinc/45/79/09/705457909.db2.gz NIGBQQDVGWJBAH-UHFFFAOYSA-N 1 0 354.479 3.418 20 10 FGCDRO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000178822312 705677264 /nfs/dbraw/zinc/67/72/64/705677264.db2.gz MUNLXYRKHYNPNU-OAHLLOKOSA-N 1 0 357.885 3.370 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000182918698 705868989 /nfs/dbraw/zinc/86/89/89/705868989.db2.gz MHDVWTDPDLFZOD-FUHWJXTLSA-N 1 0 356.507 3.117 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185288904 712690736 /nfs/dbraw/zinc/69/07/36/712690736.db2.gz YJMVAYONMMQXMB-HNNXBMFYSA-N 1 0 360.479 3.091 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000185490090 712695535 /nfs/dbraw/zinc/69/55/35/712695535.db2.gz QBNAXWBKCVKLNE-CQSZACIVSA-N 1 0 370.565 3.386 20 10 FGCDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(F)nc2)SC1=S ZINC000189426714 712794310 /nfs/dbraw/zinc/79/43/10/712794310.db2.gz JHKYVONTAGVMGX-GHXNOFRVSA-N 1 0 353.488 3.010 20 10 FGCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)ccc2O)cc(OC)c1 ZINC000747622728 722653094 /nfs/dbraw/zinc/65/30/94/722653094.db2.gz VUQCPGBOMZTCJO-CQSZACIVSA-N 1 0 365.857 3.004 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000775644886 724015080 /nfs/dbraw/zinc/01/50/80/724015080.db2.gz WNRJOSPFJBZLEL-GFCCVEGCSA-N 1 0 368.886 3.194 20 10 FGCDRO COc1cccc(C[NH2+][C@@H](CCO)c2ccccc2Br)c1O ZINC000781637705 724581912 /nfs/dbraw/zinc/58/19/12/724581912.db2.gz CCWZNTYUJBBXEE-HNNXBMFYSA-N 1 0 366.255 3.377 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1 ZINC000781896294 724608698 /nfs/dbraw/zinc/60/86/98/724608698.db2.gz HYIUULGJWORYJR-UHFFFAOYSA-N 1 0 369.303 3.200 20 10 FGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1O ZINC000781919591 724612767 /nfs/dbraw/zinc/61/27/67/724612767.db2.gz FVGLDVSHRHKPQX-SFHVURJKSA-N 1 0 360.479 3.107 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000782547286 724681742 /nfs/dbraw/zinc/68/17/42/724681742.db2.gz PAGBEOFMDFCQGV-ZIAGYGMSSA-N 1 0 350.459 3.326 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000715135594 722415701 /nfs/dbraw/zinc/41/57/01/722415701.db2.gz FOGPJMOQZYTMIL-CTYIDZIISA-N 1 0 350.459 3.184 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000727466606 722444811 /nfs/dbraw/zinc/44/48/11/722444811.db2.gz CJRHCGWXMHCVPC-LJQANCHMSA-N 1 0 364.848 3.139 20 10 FGCDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1O2 ZINC000732267446 722483169 /nfs/dbraw/zinc/48/31/69/722483169.db2.gz FNHLPCWLKYWNQQ-OAHLLOKOSA-N 1 0 358.463 3.172 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1C ZINC000742366112 722556423 /nfs/dbraw/zinc/55/64/23/722556423.db2.gz KMZCPEATBWWKFN-SFHVURJKSA-N 1 0 359.539 3.149 20 10 FGCDRO CCn1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000742384946 722556670 /nfs/dbraw/zinc/55/66/70/722556670.db2.gz NGLXSPUYLIKYSK-HNNXBMFYSA-N 1 0 350.413 3.263 20 10 FGCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1c(F)cccc1Cl ZINC000744448835 722577174 /nfs/dbraw/zinc/57/71/74/722577174.db2.gz YMAGZYILSUHCOP-XYZCENFISA-N 1 0 353.777 3.125 20 10 FGCDRO Cc1cc(C(=O)NCCOCC[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000753437541 722899355 /nfs/dbraw/zinc/89/93/55/722899355.db2.gz AFFCHRQVGPKGGE-UHFFFAOYSA-N 1 0 363.889 3.056 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000754729757 722944998 /nfs/dbraw/zinc/94/49/98/722944998.db2.gz FTRCCHSHZOYLOF-UHFFFAOYSA-N 1 0 350.459 3.010 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cc(Br)ccc1O ZINC000756476605 722965283 /nfs/dbraw/zinc/96/52/83/722965283.db2.gz SKFVDKBKWVTIHV-GFCCVEGCSA-N 1 0 363.255 3.122 20 10 FGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000756761060 722969653 /nfs/dbraw/zinc/96/96/53/722969653.db2.gz PUEFPCNFLLIXAC-CQSZACIVSA-N 1 0 368.524 3.008 20 10 FGCDRO COc1cccc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c1O ZINC000758494461 722990699 /nfs/dbraw/zinc/99/06/99/722990699.db2.gz MIIHFXNSOKPZQN-SFHVURJKSA-N 1 0 358.507 3.108 20 10 FGCDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759591820 723010608 /nfs/dbraw/zinc/01/06/08/723010608.db2.gz ZKDJPSSRCNBJNK-UHFFFAOYSA-N 1 0 356.561 3.141 20 10 FGCDRO COc1cc(Cl)cc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC000761215800 723133712 /nfs/dbraw/zinc/13/37/12/723133712.db2.gz UXXWAWMTGLCBSB-UHFFFAOYSA-N 1 0 358.866 3.353 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@]12CCCO2 ZINC000761225599 723134768 /nfs/dbraw/zinc/13/47/68/723134768.db2.gz JWMRAVDERDMFHO-BFYDXBDKSA-N 1 0 370.287 3.279 20 10 FGCDRO COC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCCCC1 ZINC000790956124 723199011 /nfs/dbraw/zinc/19/90/11/723199011.db2.gz NUZIVIZAYBQMKS-UHFFFAOYSA-N 1 0 350.478 3.226 20 10 FGCDRO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790959021 723199600 /nfs/dbraw/zinc/19/96/00/723199600.db2.gz DBWDAGQOVQKDQN-UHFFFAOYSA-N 1 0 366.864 3.457 20 10 FGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@@H](C)C1 ZINC000792193466 723320052 /nfs/dbraw/zinc/32/00/52/723320052.db2.gz WUQMMHPAJMHFEV-SJLPKXTDSA-N 1 0 350.478 3.299 20 10 FGCDRO CC[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765324428 723505755 /nfs/dbraw/zinc/50/57/55/723505755.db2.gz GXCCZRRGVHTMNG-FQEVSTJZSA-N 1 0 360.523 3.408 20 10 FGCDRO C[C@H](C(=O)NCc1cccc(Br)c1O)[NH+]1CCCCCC1 ZINC000765728302 723535592 /nfs/dbraw/zinc/53/55/92/723535592.db2.gz GTRWENUPAXOQOV-GFCCVEGCSA-N 1 0 355.276 3.035 20 10 FGCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1O ZINC000794807582 723547057 /nfs/dbraw/zinc/54/70/57/723547057.db2.gz ZMIYVQQQTFGXNY-SFHVURJKSA-N 1 0 362.495 3.028 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000794829939 723548205 /nfs/dbraw/zinc/54/82/05/723548205.db2.gz UQVHGTRBBTZMTC-BZNIZROVSA-N 1 0 363.255 3.340 20 10 FGCDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766533636 723579042 /nfs/dbraw/zinc/57/90/42/723579042.db2.gz BSGYWCTYPZISHI-INMHGKMJSA-N 1 0 368.905 3.021 20 10 FGCDRO C[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443191 723657746 /nfs/dbraw/zinc/65/77/46/723657746.db2.gz RCQFVNFXIOZTAO-MRXNPFEDSA-N 1 0 364.239 3.213 20 10 FGCDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000768652416 723664333 /nfs/dbraw/zinc/66/43/33/723664333.db2.gz PPTGJLCZYWMEBW-XLIONFOSSA-N 1 0 356.853 3.337 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769120895 723677413 /nfs/dbraw/zinc/67/74/13/723677413.db2.gz LPERHBJZCDXBII-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO Cc1cnccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771417228 723734876 /nfs/dbraw/zinc/73/48/76/723734876.db2.gz MWZDOOOAUQJDDS-INIZCTEOSA-N 1 0 359.857 3.143 20 10 FGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043637 723775229 /nfs/dbraw/zinc/77/52/29/723775229.db2.gz DTJQERZUDPJLFH-RHSMWYFYSA-N 1 0 364.486 3.416 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H](C)SC)cc2F)CC1 ZINC000773303577 723781793 /nfs/dbraw/zinc/78/17/93/723781793.db2.gz JLRINKFYDAUMBZ-HNNXBMFYSA-N 1 0 367.534 3.116 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180492 723911071 /nfs/dbraw/zinc/91/10/71/723911071.db2.gz HDUHFZYLWHBFOJ-CYBMUJFWSA-N 1 0 359.436 3.088 20 10 FGCDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774914829 723941753 /nfs/dbraw/zinc/94/17/53/723941753.db2.gz WZAHBIJRUSHVCV-GJZGRUSLSA-N 1 0 352.431 3.335 20 10 FGCDRO COc1c(O)c(C[NH2+][C@H]2COc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000775035040 723954891 /nfs/dbraw/zinc/95/48/91/723954891.db2.gz XUESXLHOPXDALF-LBPRGKRZSA-N 1 0 350.758 3.186 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000775735302 724034579 /nfs/dbraw/zinc/03/45/79/724034579.db2.gz LEZRDYFDDHMFMH-CYBMUJFWSA-N 1 0 364.287 3.261 20 10 FGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000776810597 724184871 /nfs/dbraw/zinc/18/48/71/724184871.db2.gz ZNIAYLYCYTXPPF-GOEBONIOSA-N 1 0 351.466 3.238 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000776810602 724185088 /nfs/dbraw/zinc/18/50/88/724185088.db2.gz ZNIAYLYCYTXPPF-ZBFHGGJFSA-N 1 0 351.466 3.238 20 10 FGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(OCC)c2O)C1 ZINC000776811752 724185340 /nfs/dbraw/zinc/18/53/40/724185340.db2.gz OMTIAUOJJHTXBI-GOEBONIOSA-N 1 0 350.459 3.138 20 10 FGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3sccc3Cl)cc2)C1 ZINC000785432467 724911960 /nfs/dbraw/zinc/91/19/60/724911960.db2.gz TTZAUXNZYAQTHT-AWEZNQCLSA-N 1 0 363.914 3.393 20 10 FGCDRO COC(=O)[C@@H]1[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769360 725038012 /nfs/dbraw/zinc/03/80/12/725038012.db2.gz DUTUVNNFWPBBGH-SJORKVTESA-N 1 0 352.425 3.163 20 10 FGCDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000788979419 725100342 /nfs/dbraw/zinc/10/03/42/725100342.db2.gz FWNPRJNBCAJOSI-NSHDSACASA-N 1 0 352.784 3.364 20 10 FGCDRO CSCC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)N(C)C ZINC000806662659 725139988 /nfs/dbraw/zinc/13/99/88/725139988.db2.gz MUXXEZFHVNUNMS-GUYCJALGSA-N 1 0 350.528 3.132 20 10 FGCDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(Br)ccc1O ZINC000807740368 725167831 /nfs/dbraw/zinc/16/78/31/725167831.db2.gz UQEIOLCWNHNNBE-CQSZACIVSA-N 1 0 355.276 3.035 20 10 FGCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808712009 725214478 /nfs/dbraw/zinc/21/44/78/725214478.db2.gz YNOYXTAWHOECRJ-BBRMVZONSA-N 1 0 356.894 3.182 20 10 FGCDRO Oc1ccc(Cl)c(F)c1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000812778938 726810028 /nfs/dbraw/zinc/81/00/28/726810028.db2.gz ROJCEXDTXMQBNX-CQSZACIVSA-N 1 0 350.821 3.363 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000815577785 727084671 /nfs/dbraw/zinc/08/46/71/727084671.db2.gz YZPWDPJVRAEVCT-KGLIPLIRSA-N 1 0 351.393 3.378 20 10 FGCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000815633850 727087920 /nfs/dbraw/zinc/08/79/20/727087920.db2.gz XUNSBQFSBIGZGA-NWDGAFQWSA-N 1 0 357.292 3.358 20 10 FGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nc(Br)cs1 ZINC000817939595 727289062 /nfs/dbraw/zinc/28/90/62/727289062.db2.gz CSENFROFXZTOBK-ZWNOBZJWSA-N 1 0 369.332 3.322 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000818222603 727302198 /nfs/dbraw/zinc/30/21/98/727302198.db2.gz VACBSNKIPVQKKQ-GFCCVEGCSA-N 1 0 354.376 3.053 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000818431431 727311190 /nfs/dbraw/zinc/31/11/90/727311190.db2.gz LYNCUZXRTKOFDN-CYBMUJFWSA-N 1 0 353.304 3.427 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1c(Cl)cccc1Cl ZINC000818997335 727336067 /nfs/dbraw/zinc/33/60/67/727336067.db2.gz YEYHTUJFNGBDEY-AWEZNQCLSA-N 1 0 368.260 3.458 20 10 FGCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000823576752 729289562 /nfs/dbraw/zinc/28/95/62/729289562.db2.gz XQAHOKPWUAHMED-GOSISDBHSA-N 1 0 363.841 3.144 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc(F)ncc2F)C1 ZINC000823855302 729309397 /nfs/dbraw/zinc/30/93/97/729309397.db2.gz MVHOKXBUWVBZOF-HNNXBMFYSA-N 1 0 367.827 3.473 20 10 FGCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824326961 729330540 /nfs/dbraw/zinc/33/05/40/729330540.db2.gz PSVIZVFMQKEQBI-HXUWFJFHSA-N 1 0 357.523 3.343 20 10 FGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650478 729353041 /nfs/dbraw/zinc/35/30/41/729353041.db2.gz QLFFAMZAILEVOG-CYBMUJFWSA-N 1 0 369.303 3.283 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000824846111 729361717 /nfs/dbraw/zinc/36/17/17/729361717.db2.gz PWZBXNOSSVWWDS-GOEBONIOSA-N 1 0 370.287 3.050 20 10 FGCDRO CCCc1ncc(C[NH2+]Cc2cc(Br)cc(OC)c2O)o1 ZINC000825086460 729370117 /nfs/dbraw/zinc/37/01/17/729370117.db2.gz SPYLVTZVHMYROB-UHFFFAOYSA-N 1 0 355.232 3.394 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825138817 729372724 /nfs/dbraw/zinc/37/27/24/729372724.db2.gz XZQQTHSVVMHGKB-GFCCVEGCSA-N 1 0 368.886 3.113 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(C)n1-c1cccc(C)c1 ZINC000825202141 729374440 /nfs/dbraw/zinc/37/44/40/729374440.db2.gz PMWOAOWLICRCPK-INIZCTEOSA-N 1 0 353.388 3.412 20 10 FGCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825557260 729387643 /nfs/dbraw/zinc/38/76/43/729387643.db2.gz ZGDVBNFRPZPTDN-NSHDSACASA-N 1 0 371.275 3.111 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1Cl ZINC000827538612 729431606 /nfs/dbraw/zinc/43/16/06/729431606.db2.gz RQBKENGMMDIXBI-QZTJIDSGSA-N 1 0 350.890 3.087 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000834827524 729837192 /nfs/dbraw/zinc/83/71/92/729837192.db2.gz KIWGCVJOWXJUGB-DOTOQJQBSA-N 1 0 358.507 3.364 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000834882404 729842232 /nfs/dbraw/zinc/84/22/32/729842232.db2.gz PJFFVUOVCMPKFP-HNNXBMFYSA-N 1 0 362.495 3.110 20 10 FGCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000835026779 729850683 /nfs/dbraw/zinc/85/06/83/729850683.db2.gz HNOQMERSXBYBNS-HYXAFXHYSA-N 1 0 356.539 3.430 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000840797089 730175463 /nfs/dbraw/zinc/17/54/63/730175463.db2.gz PTAPGGVXPYWXPW-CZUORRHYSA-N 1 0 369.889 3.420 20 10 FGCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000840888855 730188448 /nfs/dbraw/zinc/18/84/48/730188448.db2.gz DGRWTMYLWAFCFP-RKDXNWHRSA-N 1 0 363.683 3.372 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(Cl)c1 ZINC000840910036 730189941 /nfs/dbraw/zinc/18/99/41/730189941.db2.gz DOAYDRYZRROALA-UHFFFAOYSA-N 1 0 364.795 3.245 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000840956411 730196805 /nfs/dbraw/zinc/19/68/05/730196805.db2.gz PPGUVXRRZCAUBH-UHFFFAOYSA-N 1 0 357.834 3.268 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000840975887 730199769 /nfs/dbraw/zinc/19/97/69/730199769.db2.gz LZRDZDKANGRLFQ-INIZCTEOSA-N 1 0 360.523 3.185 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(Br)cc2F)cc1 ZINC000841041847 730205341 /nfs/dbraw/zinc/20/53/41/730205341.db2.gz FSVLPLCQLNZACG-KRWDZBQOSA-N 1 0 366.278 3.444 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841746408 730270046 /nfs/dbraw/zinc/27/00/46/730270046.db2.gz GHGDASWVFAQEAG-RYUDHWBXSA-N 1 0 368.886 3.366 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841746406 730270140 /nfs/dbraw/zinc/27/01/40/730270140.db2.gz GHGDASWVFAQEAG-NEPJUHHUSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752686 730270699 /nfs/dbraw/zinc/27/06/99/730270699.db2.gz VBGRXQCJUVUDNH-KKXDTOCCSA-N 1 0 352.906 3.464 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1F ZINC000841798740 730275373 /nfs/dbraw/zinc/27/53/73/730275373.db2.gz MXPQJIVEMFSILU-WMLDXEAASA-N 1 0 350.482 3.083 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c(C(F)(F)F)c1 ZINC000842758937 730540459 /nfs/dbraw/zinc/54/04/59/730540459.db2.gz NORCJZZNKQJCOT-KRWDZBQOSA-N 1 0 360.420 3.039 20 10 FGCDRO CC(=O)N(c1nc(CN2CCCc3cc(C[NH3+])ccc32)cs1)C1CC1 ZINC000843058169 730575053 /nfs/dbraw/zinc/57/50/53/730575053.db2.gz NDRICMKWEXKZMQ-UHFFFAOYSA-N 1 0 356.495 3.070 20 10 FGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cncc(Br)c2)cc1 ZINC000844401757 730713053 /nfs/dbraw/zinc/71/30/53/730713053.db2.gz PWLXDKNYNKPLSM-UHFFFAOYSA-N 1 0 364.287 3.421 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844904346 730787402 /nfs/dbraw/zinc/78/74/02/730787402.db2.gz IQFOVZOFHNMNEO-UHFFFAOYSA-N 1 0 353.235 3.351 20 10 FGCDRO COc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)ccn1 ZINC000848519098 731174295 /nfs/dbraw/zinc/17/42/95/731174295.db2.gz PFPBWINXCMEIME-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCCn2ccnc2)c1O ZINC000848519801 731174834 /nfs/dbraw/zinc/17/48/34/731174834.db2.gz FBIXPHMVNTXREK-LBPRGKRZSA-N 1 0 368.275 3.491 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccnc2C)c1O ZINC000848522237 731174855 /nfs/dbraw/zinc/17/48/55/731174855.db2.gz WJIMMZVZHSUILU-LLVKDONJSA-N 1 0 368.275 3.409 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1O ZINC000848529176 731175918 /nfs/dbraw/zinc/17/59/18/731175918.db2.gz LADUFVOELQHBHH-UWVGGRQHSA-N 1 0 354.248 3.309 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(C)c2C)c1O ZINC000848536489 731177580 /nfs/dbraw/zinc/17/75/80/731177580.db2.gz PWPAKXJKGJRPRK-SECBINFHSA-N 1 0 354.248 3.056 20 10 FGCDRO CCc1cccc(C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1O ZINC000848900364 731218827 /nfs/dbraw/zinc/21/88/27/731218827.db2.gz KLEKPRWLTKNLCN-UHFFFAOYSA-N 1 0 350.344 3.306 20 10 FGCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1O ZINC000848910085 731219524 /nfs/dbraw/zinc/21/95/24/731219524.db2.gz FHXKBCGMKHJDJH-OAHLLOKOSA-N 1 0 358.404 3.378 20 10 FGCDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000848986873 731223613 /nfs/dbraw/zinc/22/36/13/731223613.db2.gz JEDDSPRENNEAJH-KBPBESRZSA-N 1 0 352.910 3.225 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)CSc1ncc(Cl)s1)c1ccccc1 ZINC000849997727 731307636 /nfs/dbraw/zinc/30/76/36/731307636.db2.gz DGMCDJZZUAULNB-LBPRGKRZSA-N 1 0 355.916 3.308 20 10 FGCDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850505917 731365993 /nfs/dbraw/zinc/36/59/93/731365993.db2.gz DANPMDPZHOIZGV-QZTJIDSGSA-N 1 0 366.571 3.472 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cncc(C)n2)c1O ZINC000850550713 731372045 /nfs/dbraw/zinc/37/20/45/731372045.db2.gz PPVPIPSEXCPFQN-LLVKDONJSA-N 1 0 366.259 3.155 20 10 FGCDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000850555115 731372478 /nfs/dbraw/zinc/37/24/78/731372478.db2.gz FYDXZEHETNBHFZ-OAHLLOKOSA-N 1 0 368.518 3.434 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)CCn2cnc(Br)n2)cc1 ZINC000851717029 731486609 /nfs/dbraw/zinc/48/66/09/731486609.db2.gz URNDRPIBVWAGDK-UHFFFAOYSA-N 1 0 366.307 3.019 20 10 FGCDRO CC(C)c1noc(CCC[NH2+]Cc2c(O)cccc2Br)n1 ZINC000858124129 732182785 /nfs/dbraw/zinc/18/27/85/732182785.db2.gz GXPNHSUJPQRHAX-UHFFFAOYSA-N 1 0 354.248 3.384 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000858151160 732186417 /nfs/dbraw/zinc/18/64/17/732186417.db2.gz WAPZPUSFEVMZJI-XHDPSFHLSA-N 1 0 358.301 3.299 20 10 FGCDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000858153929 732186627 /nfs/dbraw/zinc/18/66/27/732186627.db2.gz UNAPUMNXXDQFMB-UHFFFAOYSA-N 1 0 357.292 3.185 20 10 FGCDRO COc1ccc(COCC[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858156627 732187025 /nfs/dbraw/zinc/18/70/25/732187025.db2.gz OMCJSJNBZOIFLY-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858250270 732196848 /nfs/dbraw/zinc/19/68/48/732196848.db2.gz AYESOURNYAAWLL-HXUWFJFHSA-N 1 0 350.478 3.083 20 10 FGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000858470636 732218117 /nfs/dbraw/zinc/21/81/17/732218117.db2.gz KBRUTMDSJNOYCG-BXKDBHETSA-N 1 0 370.243 3.076 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1O ZINC000858483805 732219549 /nfs/dbraw/zinc/21/95/49/732219549.db2.gz ATEHOVPSFKTAAX-ZDUSSCGKSA-N 1 0 359.413 3.008 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000858527211 732224011 /nfs/dbraw/zinc/22/40/11/732224011.db2.gz PGXJPSBJFORTRM-OCCSQVGLSA-N 1 0 370.877 3.332 20 10 FGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1F ZINC000862292232 732805989 /nfs/dbraw/zinc/80/59/89/732805989.db2.gz DEYKMMQNASJICJ-LJQANCHMSA-N 1 0 350.384 3.263 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1O ZINC000862468521 732838650 /nfs/dbraw/zinc/83/86/50/732838650.db2.gz KGGUOCXQMWNLMR-CYBMUJFWSA-N 1 0 363.246 3.282 20 10 FGCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccc(O)cc1 ZINC000862497622 732841854 /nfs/dbraw/zinc/84/18/54/732841854.db2.gz YBKGJJHRTWIGAA-DLBZAZTESA-N 1 0 361.825 3.140 20 10 FGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866535774 733362663 /nfs/dbraw/zinc/36/26/63/733362663.db2.gz HSNBKVFXWFSJAQ-OLZOCXBDSA-N 1 0 351.443 3.389 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000866615531 733374509 /nfs/dbraw/zinc/37/45/09/733374509.db2.gz UYHBCMHJJYRGDK-ZJUUUORDSA-N 1 0 354.248 3.309 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCOC1 ZINC000872077650 735585963 /nfs/dbraw/zinc/58/59/63/735585963.db2.gz KPIVBLWPBVYOOV-MAUKXSAKSA-N 1 0 354.441 3.096 20 10 FGCDRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000872119425 735592039 /nfs/dbraw/zinc/59/20/39/735592039.db2.gz QYTGMUVQGMXNAC-HQNOKGKPSA-N 1 0 363.523 3.277 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000872119692 735592585 /nfs/dbraw/zinc/59/25/85/735592585.db2.gz UPBVJWLJQPWGDP-YPRXJGMQSA-N 1 0 357.903 3.360 20 10 FGCDRO COCc1csc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873137388 735725178 /nfs/dbraw/zinc/72/51/78/735725178.db2.gz AAMWEZGNUCJEHZ-UHFFFAOYSA-N 1 0 357.479 3.438 20 10 FGCDRO CCC[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1O ZINC000876654884 736127752 /nfs/dbraw/zinc/12/77/52/736127752.db2.gz SQRZSJCYLFIXCI-UHFFFAOYSA-N 1 0 368.886 3.105 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000877521082 736677780 /nfs/dbraw/zinc/67/77/80/736677780.db2.gz PYHZPOVXUUMUAF-UHFFFAOYSA-N 1 0 350.260 3.441 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000881855184 737390236 /nfs/dbraw/zinc/39/02/36/737390236.db2.gz QTAKQZUKRVVJJQ-OAHLLOKOSA-N 1 0 370.324 3.029 20 10 FGCDRO CC[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000883309466 737552599 /nfs/dbraw/zinc/55/25/99/737552599.db2.gz NIGMLJLOTWMWND-GXTWGEPZSA-N 1 0 365.417 3.419 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H]1CCCOC1 ZINC000886788775 739299997 /nfs/dbraw/zinc/29/99/97/739299997.db2.gz ISHIMQZSCKXEHQ-HUBLWGQQSA-N 1 0 358.276 3.247 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCC2(F)F)[NH+](C)C)cc1 ZINC000891243153 739885960 /nfs/dbraw/zinc/88/59/60/739885960.db2.gz JPELBYCAMNFNBE-DOTOQJQBSA-N 1 0 353.457 3.297 20 10 FGCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c1O ZINC000894330799 742268548 /nfs/dbraw/zinc/26/85/48/742268548.db2.gz VALWJENDXWDKDN-HNNXBMFYSA-N 1 0 366.255 3.295 20 10 FGCDRO COc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894696037 742319594 /nfs/dbraw/zinc/31/95/94/742319594.db2.gz VNHJWSLFYDTVQD-HNNXBMFYSA-N 1 0 351.830 3.228 20 10 FGCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896789886 742598560 /nfs/dbraw/zinc/59/85/60/742598560.db2.gz JGACPKHRYLVMFJ-ZDUSSCGKSA-N 1 0 360.479 3.116 20 10 FGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(OC)c3O)C2)n1 ZINC000897043440 742635391 /nfs/dbraw/zinc/63/53/91/742635391.db2.gz LKMJOFQDDYWHSL-ZWNOBZJWSA-N 1 0 351.834 3.426 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000898101843 742745534 /nfs/dbraw/zinc/74/55/34/742745534.db2.gz ZRTDBJMFTKQZJF-IHRRRGAJSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)cc1C ZINC000898292554 742771541 /nfs/dbraw/zinc/77/15/41/742771541.db2.gz OGKHPAPGEWJALQ-UHFFFAOYSA-N 1 0 360.479 3.198 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898722242 742825885 /nfs/dbraw/zinc/82/58/85/742825885.db2.gz ZCTOEGSZSCOIBT-QWRGUYRKSA-N 1 0 366.259 3.025 20 10 FGCDRO CCc1onc(C)c1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000899260732 742900778 /nfs/dbraw/zinc/90/07/78/742900778.db2.gz PPFGFFPJCKBUMX-RIYZIHGNSA-N 1 0 367.540 3.334 20 10 FGCDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000903063936 743800800 /nfs/dbraw/zinc/80/08/00/743800800.db2.gz JLOHQIJCSHVYMJ-HZMBPMFUSA-N 1 0 353.264 3.331 20 10 FGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000903259764 743831256 /nfs/dbraw/zinc/83/12/56/743831256.db2.gz PATDMHQIFIVWDH-GUXCAODWSA-N 1 0 350.478 3.254 20 10 FGCDRO C[C@@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1cc(F)ccc1O ZINC000903263664 743832141 /nfs/dbraw/zinc/83/21/41/743832141.db2.gz NJGMBPIRVRFJFT-WHENESEISA-N 1 0 361.404 3.385 20 10 FGCDRO CC[C@H]([NH2+]Cc1cn(C)nc1OC)c1cc(Br)ccc1O ZINC000903338011 743838792 /nfs/dbraw/zinc/83/87/92/743838792.db2.gz NMPLVPSWEADXSW-ZDUSSCGKSA-N 1 0 354.248 3.138 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c(O)c1 ZINC000903425344 743849289 /nfs/dbraw/zinc/84/92/89/743849289.db2.gz BAVIYSZKCMLYGY-AWEZNQCLSA-N 1 0 360.479 3.456 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000921611558 758756077 /nfs/dbraw/zinc/75/60/77/758756077.db2.gz CLWVKRIQIALEGT-CQSZACIVSA-N 1 0 360.479 3.234 20 10 FGCDRO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922698572 758985094 /nfs/dbraw/zinc/98/50/94/758985094.db2.gz YGFSENCFDOYASQ-SJORKVTESA-N 1 0 358.404 3.113 20 10 FGCDRO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922698571 758985185 /nfs/dbraw/zinc/98/51/85/758985185.db2.gz YGFSENCFDOYASQ-IRXDYDNUSA-N 1 0 358.404 3.113 20 10 FGCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)C2)n1 ZINC000922863081 759017964 /nfs/dbraw/zinc/01/79/64/759017964.db2.gz XQLNSWPGHVPTBU-AAEUAGOBSA-N 1 0 350.413 3.402 20 10 FGCDRO C[C@@H](c1cc(Br)ccc1O)N1CCc2sc(C[NH3+])nc2C1 ZINC000925747462 759530446 /nfs/dbraw/zinc/53/04/46/759530446.db2.gz IJXJHQYPSAMPCH-VIFPVBQESA-N 1 0 368.300 3.189 20 10 FGCDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000927041287 759881602 /nfs/dbraw/zinc/88/16/02/759881602.db2.gz CQXXRZSVAQTAHC-SHFXZJCHSA-N 1 0 362.539 3.436 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000779023514 724382021 /nfs/dbraw/zinc/38/20/21/724382021.db2.gz GJAPOIPIAJZUBV-NSHDSACASA-N 1 0 355.276 3.159 20 10 FGCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N3CCCCC3)cc1)CC2 ZINC000090395072 494461698 /nfs/dbraw/zinc/46/16/98/494461698.db2.gz RBCRKLGWBNELAN-AEFFLSMTSA-N 1 0 369.513 3.080 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000121224116 494654278 /nfs/dbraw/zinc/65/42/78/494654278.db2.gz JZQOYVZBDLAEMH-UHFFFAOYSA-N 1 0 354.450 3.139 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1O ZINC000093200668 494841850 /nfs/dbraw/zinc/84/18/50/494841850.db2.gz NCUCXAKXQOENKA-CQSZACIVSA-N 1 0 360.433 3.286 20 10 FGCDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3c(O)cccc3Cl)cc2)C1 ZINC000127484392 494951713 /nfs/dbraw/zinc/95/17/13/494951713.db2.gz TVBHKSRFLOQGFZ-HNNXBMFYSA-N 1 0 373.884 3.355 20 10 FGCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000122787847 495031176 /nfs/dbraw/zinc/03/11/76/495031176.db2.gz CVRMUWFGJNDYEM-HNNXBMFYSA-N 1 0 371.481 3.277 20 10 FGCDRO Cc1nn(C)c2ncc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)cc12 ZINC000111233040 495051723 /nfs/dbraw/zinc/05/17/23/495051723.db2.gz CORWTHBVXVNRNJ-GOSISDBHSA-N 1 0 366.465 3.164 20 10 FGCDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000111235861 495052174 /nfs/dbraw/zinc/05/21/74/495052174.db2.gz WEIGATTYFRGCCG-LSDHHAIUSA-N 1 0 372.465 3.107 20 10 FGCDRO c1ccc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000098172503 495062908 /nfs/dbraw/zinc/06/29/08/495062908.db2.gz NJMUIPWNZAAZII-UHFFFAOYSA-N 1 0 351.494 3.282 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1F ZINC000113341640 495297460 /nfs/dbraw/zinc/29/74/60/495297460.db2.gz RRWFYEHSECBLFF-UHFFFAOYSA-N 1 0 355.457 3.304 20 10 FGCDRO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185648196 495659983 /nfs/dbraw/zinc/65/99/83/495659983.db2.gz IZNDUBSFYZJJPI-LBPRGKRZSA-N 1 0 360.329 3.376 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(O)c1 ZINC000179687816 495692317 /nfs/dbraw/zinc/69/23/17/495692317.db2.gz NKHYLFMDNMXKME-UHFFFAOYSA-N 1 0 360.498 3.406 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000151069899 495729626 /nfs/dbraw/zinc/72/96/26/495729626.db2.gz IESVCWODUWWQGF-PUAOIOHZSA-N 1 0 358.507 3.111 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)c1 ZINC000179918806 495783429 /nfs/dbraw/zinc/78/34/29/495783429.db2.gz BHKRTPFPULTETR-UHFFFAOYSA-N 1 0 360.479 3.165 20 10 FGCDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160118190 495887651 /nfs/dbraw/zinc/88/76/51/495887651.db2.gz CVRHOWXHXHHXOH-LIRRHRJNSA-N 1 0 364.486 3.282 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000155271053 495899105 /nfs/dbraw/zinc/89/91/05/495899105.db2.gz OPYNYMFJENMBDD-RDTXWAMCSA-N 1 0 362.495 3.444 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1O ZINC000186276364 495925095 /nfs/dbraw/zinc/92/50/95/495925095.db2.gz SNYHSWDPUDOGDA-OALUTQOASA-N 1 0 354.450 3.243 20 10 FGCDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)cc1 ZINC000183380055 495955566 /nfs/dbraw/zinc/95/55/66/495955566.db2.gz ZMKJVXPPYRDNQK-OXQOHEQNSA-N 1 0 356.466 3.125 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161423904 496173856 /nfs/dbraw/zinc/17/38/56/496173856.db2.gz OALYALJWXMIWFH-GJZGRUSLSA-N 1 0 361.511 3.073 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1cc(Br)ccc1O ZINC000156562474 496280225 /nfs/dbraw/zinc/28/02/25/496280225.db2.gz NWYVADGRUWKSSF-GWCFXTLKSA-N 1 0 364.305 3.019 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCCOCC3CCOCC3)CC2)cc1 ZINC000157493627 496488296 /nfs/dbraw/zinc/48/82/96/496488296.db2.gz JVUAJVHRYFDMKL-UHFFFAOYSA-N 1 0 362.514 3.087 20 10 FGCDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000165176783 496650896 /nfs/dbraw/zinc/65/08/96/496650896.db2.gz IIVQJTOTCUDIGZ-HXUWFJFHSA-N 1 0 356.441 3.448 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185082855 496651463 /nfs/dbraw/zinc/65/14/63/496651463.db2.gz BHKFCNXHHAFIFB-MRXNPFEDSA-N 1 0 368.477 3.251 20 10 FGCDRO COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)ccc1OCC(=O)N(C)C ZINC000273420093 496802284 /nfs/dbraw/zinc/80/22/84/496802284.db2.gz RWWQZXOPQRINBH-OAHLLOKOSA-N 1 0 372.465 3.027 20 10 FGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268877812 496811366 /nfs/dbraw/zinc/81/13/66/496811366.db2.gz QPZPYPVPRXZSEM-ZNMIVQPWSA-N 1 0 360.477 3.332 20 10 FGCDRO COc1ccc(O)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000273545528 496835572 /nfs/dbraw/zinc/83/55/72/496835572.db2.gz ZIRNOIMDXWVEPO-GDBMZVCRSA-N 1 0 356.470 3.109 20 10 FGCDRO COc1c([O-])c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475943 497127630 /nfs/dbraw/zinc/12/76/30/497127630.db2.gz ILYUSQKICNGRMP-HIFRSBDPSA-N 1 0 363.458 3.052 20 10 FGCDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271536680 497375775 /nfs/dbraw/zinc/37/57/75/497375775.db2.gz XTPMUZHZYOJCHJ-LIRRHRJNSA-N 1 0 362.420 3.186 20 10 FGCDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271795609 497453193 /nfs/dbraw/zinc/45/31/93/497453193.db2.gz HUFQULCFLLSDKY-ZUOKHONESA-N 1 0 361.438 3.284 20 10 FGCDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000245754335 497529031 /nfs/dbraw/zinc/52/90/31/497529031.db2.gz UONNHKVMILJLHL-IDNNPUCFSA-N 1 0 358.482 3.224 20 10 FGCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2C)cc1 ZINC000262626924 497585974 /nfs/dbraw/zinc/58/59/74/497585974.db2.gz LGJRPEWQQJYPLE-SJORKVTESA-N 1 0 353.466 3.069 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000279945259 497597906 /nfs/dbraw/zinc/59/79/06/497597906.db2.gz BKLTXGSSLMZCJQ-CYBMUJFWSA-N 1 0 352.525 3.459 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1O ZINC000280126060 497657557 /nfs/dbraw/zinc/65/75/57/497657557.db2.gz OPHANKUHJCSJDM-RDTXWAMCSA-N 1 0 362.495 3.411 20 10 FGCDRO CN(C)c1ccc(CN2CCC[C@@H]2c2nncn2C)c(C(F)(F)F)c1 ZINC000280170555 497671070 /nfs/dbraw/zinc/67/10/70/497671070.db2.gz GTYVEWCFOFCGJM-OAHLLOKOSA-N 1 0 353.392 3.237 20 10 FGCDRO Oc1cc2c(cc1C[NH2+][C@H](c1ccc3c(c1)OCCO3)C1CC1)OCO2 ZINC000263666359 497807173 /nfs/dbraw/zinc/80/71/73/497807173.db2.gz IPUGCFNRGJZJGR-FQEVSTJZSA-N 1 0 355.390 3.133 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000364259643 497866265 /nfs/dbraw/zinc/86/62/65/497866265.db2.gz HFJVFKLPHWIQDZ-GOSISDBHSA-N 1 0 358.438 3.357 20 10 FGCDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)CCO2 ZINC000364301909 497888003 /nfs/dbraw/zinc/88/80/03/497888003.db2.gz CDFYHQQFPLTUAV-INIZCTEOSA-N 1 0 359.422 3.422 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@]4(CCOC4)OC(C)(C)C3)cc2)CC1 ZINC000296087390 497915224 /nfs/dbraw/zinc/91/52/24/497915224.db2.gz SZQKZQKFVFIGBL-JOCHJYFZSA-N 1 0 374.525 3.072 20 10 FGCDRO Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280839904 497918815 /nfs/dbraw/zinc/91/88/15/497918815.db2.gz YDWFMHMQJMRJRE-UGSOOPFHSA-N 1 0 351.443 3.104 20 10 FGCDRO Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280839899 497919743 /nfs/dbraw/zinc/91/97/43/497919743.db2.gz YDWFMHMQJMRJRE-FZKQIMNGSA-N 1 0 351.443 3.104 20 10 FGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000280964162 497968403 /nfs/dbraw/zinc/96/84/03/497968403.db2.gz KUKXOGKBBPGQEZ-MRXNPFEDSA-N 1 0 350.528 3.295 20 10 FGCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000281004355 497983428 /nfs/dbraw/zinc/98/34/28/497983428.db2.gz NUJMPRWPFGDXTP-MRXNPFEDSA-N 1 0 350.528 3.295 20 10 FGCDRO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000281756988 498259475 /nfs/dbraw/zinc/25/94/75/498259475.db2.gz RJYQSCCQUFUPQK-GFCCVEGCSA-N 1 0 370.831 3.434 20 10 FGCDRO C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282205166 498423033 /nfs/dbraw/zinc/42/30/33/498423033.db2.gz HARQGNGWFOBOLA-GFCCVEGCSA-N 1 0 360.329 3.376 20 10 FGCDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1OC ZINC000290111997 498432935 /nfs/dbraw/zinc/43/29/35/498432935.db2.gz ISMXUUSQDAEIHN-RNODOKPDSA-N 1 0 363.429 3.193 20 10 FGCDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000283536333 498915752 /nfs/dbraw/zinc/91/57/52/498915752.db2.gz GTQVCDIFXJKCBP-SFHVURJKSA-N 1 0 368.481 3.378 20 10 FGCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000299114966 498968242 /nfs/dbraw/zinc/96/82/42/498968242.db2.gz SCLFDFPDIXBCSG-GOSISDBHSA-N 1 0 358.530 3.159 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363750112 498973715 /nfs/dbraw/zinc/97/37/15/498973715.db2.gz MFZWNFJGROLKLS-VQIMIIECSA-N 1 0 352.482 3.103 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCCCC2)cc1 ZINC000363785650 498992332 /nfs/dbraw/zinc/99/23/32/498992332.db2.gz PCGIRBWOPGBCKC-HKUYNNGSSA-N 1 0 353.514 3.340 20 10 FGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C2 ZINC000363871027 499033338 /nfs/dbraw/zinc/03/33/38/499033338.db2.gz ZIXWEVCUDAXDCF-QMTHXVAHSA-N 1 0 362.271 3.461 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000372497482 499134644 /nfs/dbraw/zinc/13/46/44/499134644.db2.gz QGVOAZOZNNAPDP-GWCFXTLKSA-N 1 0 350.260 3.394 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c1 ZINC000372587781 499149768 /nfs/dbraw/zinc/14/97/68/499149768.db2.gz ABJUDONCBXWKGK-CRAIPNDOSA-N 1 0 358.482 3.186 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000372711593 499164969 /nfs/dbraw/zinc/16/49/69/499164969.db2.gz GZXMRVLRVXBWKR-OAHLLOKOSA-N 1 0 359.470 3.275 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370662590 499241616 /nfs/dbraw/zinc/24/16/16/499241616.db2.gz MTSMECVZNCPUBU-QFBILLFUSA-N 1 0 352.482 3.103 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(Cl)c1[O-] ZINC000367897044 499242953 /nfs/dbraw/zinc/24/29/53/499242953.db2.gz QOQCJQDHLJZAAX-RHSMWYFYSA-N 1 0 359.857 3.396 20 10 FGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1cc(F)ccc1O ZINC000368333831 499286391 /nfs/dbraw/zinc/28/63/91/499286391.db2.gz SBHOBPUGRQDEBR-ZDUSSCGKSA-N 1 0 358.413 3.192 20 10 FGCDRO CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000371335996 499312601 /nfs/dbraw/zinc/31/26/01/499312601.db2.gz MYNKVAMMJCZOPK-MRXNPFEDSA-N 1 0 372.340 3.299 20 10 FGCDRO COC(=O)c1ccnc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)c1 ZINC000371864776 499373136 /nfs/dbraw/zinc/37/31/36/499373136.db2.gz ODHHZQDJVSWMHE-CYBMUJFWSA-N 1 0 373.428 3.033 20 10 FGCDRO CCc1nc(CN2CCC[N@H+](Cc3cc(OC)ccc3O)CC2)cs1 ZINC000373231397 499458900 /nfs/dbraw/zinc/45/89/00/499458900.db2.gz XGHMOIMXYJXCNM-UHFFFAOYSA-N 1 0 361.511 3.128 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NC2CC([NH+]3CCCCC3)C2)C2CC2)cc1 ZINC000376444809 499609173 /nfs/dbraw/zinc/60/91/73/499609173.db2.gz WXZMQSBFEFSWBU-UHFFFAOYSA-N 1 0 370.541 3.444 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000377668956 499717454 /nfs/dbraw/zinc/71/74/54/499717454.db2.gz GIWNCNRWACICMP-IRXDYDNUSA-N 1 0 365.433 3.028 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(N(C)C)cc1 ZINC000378164001 499761543 /nfs/dbraw/zinc/76/15/43/499761543.db2.gz ITZQRLPPAZPUTG-MRXNPFEDSA-N 1 0 367.493 3.414 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433361453 500681290 /nfs/dbraw/zinc/68/12/90/500681290.db2.gz HCBZSGGBYAJXQX-LJQANCHMSA-N 1 0 353.466 3.171 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C)CCCOC2)C1 ZINC000444338327 500836415 /nfs/dbraw/zinc/83/64/15/500836415.db2.gz FMSYDKSVDYWBIE-JOCHJYFZSA-N 1 0 369.509 3.093 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccncc32)C1 ZINC000444352664 500838359 /nfs/dbraw/zinc/83/83/59/500838359.db2.gz PCTUAQORVXQXSH-UHFFFAOYSA-N 1 0 374.488 3.392 20 10 FGCDRO CC(C)OCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435869623 501039464 /nfs/dbraw/zinc/03/94/64/501039464.db2.gz XRMZUGAHVDBHDJ-UHFFFAOYSA-N 1 0 371.525 3.339 20 10 FGCDRO CCOC(C)(C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435990122 501054502 /nfs/dbraw/zinc/05/45/02/501054502.db2.gz GEIYVYGFOONFDZ-UHFFFAOYSA-N 1 0 371.525 3.339 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000458174418 501385013 /nfs/dbraw/zinc/38/50/13/501385013.db2.gz SJMZVYOIZHBRPS-GOSISDBHSA-N 1 0 371.525 3.366 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000475199888 502096812 /nfs/dbraw/zinc/09/68/12/502096812.db2.gz WYIIJPMLSKFWDB-UHFFFAOYSA-N 1 0 365.477 3.244 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000470538449 502807970 /nfs/dbraw/zinc/80/79/70/502807970.db2.gz VALYDDFBVWUIMA-UHFFFAOYSA-N 1 0 374.444 3.352 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000503364379 503395344 /nfs/dbraw/zinc/39/53/44/503395344.db2.gz CJPQYJFYAIIBON-FUHWJXTLSA-N 1 0 354.498 3.255 20 10 FGCDRO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)(C)O ZINC000512803460 503634855 /nfs/dbraw/zinc/63/48/55/503634855.db2.gz WQIHWXAZYUJCNJ-HXUWFJFHSA-N 1 0 371.525 3.074 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCc4ccccc4O3)C1)[C@@H](O)CO2 ZINC000530102854 503838818 /nfs/dbraw/zinc/83/88/18/503838818.db2.gz BIOLUVBMFNQIMK-UGKGYDQZSA-N 1 0 367.445 3.178 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C3CC3)CC2)C1 ZINC000583359985 506736619 /nfs/dbraw/zinc/73/66/19/506736619.db2.gz TUVOMZCYTALMKE-UHFFFAOYSA-N 1 0 351.494 3.467 20 10 FGCDRO O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000740095552 600559729 /nfs/dbraw/zinc/55/97/29/600559729.db2.gz BJFZLMIECWXJHU-HNNXBMFYSA-N 1 0 354.450 3.161 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1F ZINC000821198328 606218074 /nfs/dbraw/zinc/21/80/74/606218074.db2.gz ROAHDXZMRQZTSE-UHFFFAOYSA-N 1 0 360.462 3.203 20 10 FGCDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067491 700222896 /nfs/dbraw/zinc/22/28/96/700222896.db2.gz MPQPSPHRNNPWPD-RTBURBONSA-N 1 0 363.571 3.317 20 10 FGCDRO CCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCCCO1 ZINC000093132413 700447059 /nfs/dbraw/zinc/44/70/59/700447059.db2.gz ROMRLCLADREWJV-SFHVURJKSA-N 1 0 350.478 3.443 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(O)cccc3Cl)cn2)C[C@H](C)O1 ZINC000113322393 700570788 /nfs/dbraw/zinc/57/07/88/700570788.db2.gz IITKFYNMACHWRG-OKILXGFUSA-N 1 0 361.873 3.344 20 10 FGCDRO CSc1nnc(CCC[NH2+]Cc2ccc3c(c2)CCO3)n1CC(C)C ZINC000114216114 700576654 /nfs/dbraw/zinc/57/66/54/700576654.db2.gz CIGXKWWMJACPIH-UHFFFAOYSA-N 1 0 360.527 3.313 20 10 FGCDRO CS[C@@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000128186465 700771892 /nfs/dbraw/zinc/77/18/92/700771892.db2.gz GMQSMICBAPHTEX-WFASDCNBSA-N 1 0 356.919 3.268 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000131407937 700814976 /nfs/dbraw/zinc/81/49/76/700814976.db2.gz XMIPLZBVOLMHDD-GJZGRUSLSA-N 1 0 350.459 3.326 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1ccc(Br)cc1 ZINC000132645269 700829836 /nfs/dbraw/zinc/82/98/36/700829836.db2.gz KENWFZCUXVWZMK-AWEZNQCLSA-N 1 0 362.271 3.030 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000154611051 705041159 /nfs/dbraw/zinc/04/11/59/705041159.db2.gz IJVOIJGLUFTKDA-OAHLLOKOSA-N 1 0 368.572 3.285 20 10 FGCDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000178685234 705672841 /nfs/dbraw/zinc/67/28/41/705672841.db2.gz XDAKGOZHVWOGGX-NSHDSACASA-N 1 0 364.287 3.324 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000189526050 712796707 /nfs/dbraw/zinc/79/67/07/712796707.db2.gz VIXJTCQKSXXMIQ-UKRRQHHQSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382477147 713979974 /nfs/dbraw/zinc/97/99/74/713979974.db2.gz UGJSHRBYJZFDTJ-HIFRSBDPSA-N 1 0 350.459 3.184 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(N2CCOCC2)cc1Cl ZINC000779089596 724389387 /nfs/dbraw/zinc/38/93/87/724389387.db2.gz UAXGIEBELYNESS-QMTMVMCOSA-N 1 0 352.906 3.378 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCOC1 ZINC000780723211 724495501 /nfs/dbraw/zinc/49/55/01/724495501.db2.gz HEKPIJVQCZIJSN-MPGHIAIKSA-N 1 0 352.906 3.415 20 10 FGCDRO COCc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000782143925 724631604 /nfs/dbraw/zinc/63/16/04/724631604.db2.gz YQLPGABJXSMMKH-OAHLLOKOSA-N 1 0 362.861 3.059 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000783596627 724769962 /nfs/dbraw/zinc/76/99/62/724769962.db2.gz ZIDXZYPUHYDOIW-GFCCVEGCSA-N 1 0 355.360 3.453 20 10 FGCDRO CCC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1O ZINC000727830910 722447875 /nfs/dbraw/zinc/44/78/75/722447875.db2.gz VDPCPAHUTVAJAY-OAHLLOKOSA-N 1 0 358.404 3.405 20 10 FGCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731364861 722474726 /nfs/dbraw/zinc/47/47/26/722474726.db2.gz PYKMHGPBPKGUEL-HNNXBMFYSA-N 1 0 352.498 3.201 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000731677643 722477274 /nfs/dbraw/zinc/47/72/74/722477274.db2.gz CFUBHHPERJTQRH-UHFFFAOYSA-N 1 0 359.813 3.437 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1c(F)cccc1Cl ZINC000744448834 722577150 /nfs/dbraw/zinc/57/71/50/722577150.db2.gz YMAGZYILSUHCOP-XLFHBGCDSA-N 1 0 353.777 3.125 20 10 FGCDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931090 722836037 /nfs/dbraw/zinc/83/60/37/722836037.db2.gz MCIVCJYJJSHCIB-INIZCTEOSA-N 1 0 359.495 3.347 20 10 FGCDRO COC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCC1 ZINC000754273308 722933228 /nfs/dbraw/zinc/93/32/28/722933228.db2.gz AENMSRNHWFFZQT-INIZCTEOSA-N 1 0 366.889 3.085 20 10 FGCDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1cc(F)ccc1O ZINC000756344936 722963139 /nfs/dbraw/zinc/96/31/39/722963139.db2.gz VAXSCTFDLGDIQJ-WMLDXEAASA-N 1 0 363.502 3.232 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756469517 722965212 /nfs/dbraw/zinc/96/52/12/722965212.db2.gz JDEDQOITWLUQKG-NHYWBVRUSA-N 1 0 364.442 3.241 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])C(=O)NC(C)(C)C ZINC000756490582 722965475 /nfs/dbraw/zinc/96/54/75/722965475.db2.gz WJFSTRXETRIBER-RKDXNWHRSA-N 1 0 361.255 3.248 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(O)c1C ZINC000756543469 722966501 /nfs/dbraw/zinc/96/65/01/722966501.db2.gz OZTWOXLZGAVVAE-KBPBESRZSA-N 1 0 351.393 3.378 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1O ZINC000756601788 722967536 /nfs/dbraw/zinc/96/75/36/722967536.db2.gz BADPGFIOTVPZFW-MGPUTAFESA-N 1 0 360.885 3.333 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1cccc(Br)c1 ZINC000758529321 722991112 /nfs/dbraw/zinc/99/11/12/722991112.db2.gz UROKWRXFDVMNMX-AWEZNQCLSA-N 1 0 350.256 3.096 20 10 FGCDRO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000789725720 723069079 /nfs/dbraw/zinc/06/90/79/723069079.db2.gz ACLRXVMIFRFNIS-UHFFFAOYSA-N 1 0 359.495 3.149 20 10 FGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000760886016 723101630 /nfs/dbraw/zinc/10/16/30/723101630.db2.gz NNODQBQSCKVCRM-MDASCCDHSA-N 1 0 368.905 3.021 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1 ZINC000790602246 723157071 /nfs/dbraw/zinc/15/70/71/723157071.db2.gz RDMFSJHQBCTUBO-UHFFFAOYSA-N 1 0 373.396 3.413 20 10 FGCDRO Cc1cccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c1O ZINC000763442622 723343427 /nfs/dbraw/zinc/34/34/27/723343427.db2.gz JUWLYHXNDVDYDV-OAHLLOKOSA-N 1 0 364.283 3.404 20 10 FGCDRO COC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792933892 723383960 /nfs/dbraw/zinc/38/39/60/723383960.db2.gz BRERUIADECSYEY-UHFFFAOYSA-N 1 0 359.392 3.092 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000793038034 723394708 /nfs/dbraw/zinc/39/47/08/723394708.db2.gz OEDVHWDMHJBARW-RHSMWYFYSA-N 1 0 358.404 3.199 20 10 FGCDRO CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000764695528 723438198 /nfs/dbraw/zinc/43/81/98/723438198.db2.gz LGXSGKZAWXVUIG-UHFFFAOYSA-N 1 0 352.498 3.155 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1O ZINC000794803866 723546735 /nfs/dbraw/zinc/54/67/35/723546735.db2.gz SNHNFDOHECLVBY-GOSISDBHSA-N 1 0 362.495 3.192 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794807155 723546988 /nfs/dbraw/zinc/54/69/88/723546988.db2.gz KNQJGQMUJXXYHT-FZKQIMNGSA-N 1 0 351.393 3.459 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C(F)(F)F ZINC000796276497 723629791 /nfs/dbraw/zinc/62/97/91/723629791.db2.gz ZLVCWXIFQBDKKV-GOSISDBHSA-N 1 0 350.384 3.262 20 10 FGCDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768208430 723650381 /nfs/dbraw/zinc/65/03/81/723650381.db2.gz OYZVERYUAUNUCH-UHFFFAOYSA-N 1 0 356.495 3.173 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768247245 723651762 /nfs/dbraw/zinc/65/17/62/723651762.db2.gz AJRNJPXHMHWTAU-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768443608 723657633 /nfs/dbraw/zinc/65/76/33/723657633.db2.gz HMRKGJUPPNCQGO-CQSZACIVSA-N 1 0 350.459 3.056 20 10 FGCDRO C[NH+]1CCN(c2ccc(CN3CCSC[C@H]3c3nccs3)cc2)CC1 ZINC000770676937 723718989 /nfs/dbraw/zinc/71/89/89/723718989.db2.gz RSMOXYWOKSMCPP-SFHVURJKSA-N 1 0 374.579 3.185 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000773068208 723775985 /nfs/dbraw/zinc/77/59/85/723775985.db2.gz YUNJJXWKCNMGRI-MRXNPFEDSA-N 1 0 350.528 3.152 20 10 FGCDRO CCOC1CC(O)(C[NH2+][C@@H](CC)c2cc(Br)ccc2O)C1 ZINC000774485616 723899402 /nfs/dbraw/zinc/89/94/02/723899402.db2.gz FCHGORKTEMBQSD-UGWHAMFMSA-N 1 0 358.276 3.125 20 10 FGCDRO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180493 723911216 /nfs/dbraw/zinc/91/12/16/723911216.db2.gz HDUHFZYLWHBFOJ-ZDUSSCGKSA-N 1 0 359.436 3.088 20 10 FGCDRO COc1c([O-])c(C[NH2+]CCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774943515 723944694 /nfs/dbraw/zinc/94/46/94/723944694.db2.gz UXYSZIQFVSHKNH-UHFFFAOYSA-N 1 0 351.447 3.053 20 10 FGCDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775185758 723969601 /nfs/dbraw/zinc/96/96/01/723969601.db2.gz VSVZRDLUKPLZPT-LJQANCHMSA-N 1 0 351.443 3.107 20 10 FGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000775202938 723970840 /nfs/dbraw/zinc/97/08/40/723970840.db2.gz ZRHUSWNTQJUBJP-SFHVURJKSA-N 1 0 355.862 3.465 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC)C1)c1cc(Br)ccc1O ZINC000775501418 723996435 /nfs/dbraw/zinc/99/64/35/723996435.db2.gz PXVBRPOTNQQJTF-OCCSQVGLSA-N 1 0 371.275 3.426 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cc(Cl)ccc1O ZINC000775521909 723997771 /nfs/dbraw/zinc/99/77/71/723997771.db2.gz DOFJHLIGENDHRT-KBPBESRZSA-N 1 0 360.907 3.228 20 10 FGCDRO O=S1(=O)CC[C@H]([NH2+]CCCSc2nccs2)c2cc(F)ccc21 ZINC000775630012 724013181 /nfs/dbraw/zinc/01/31/81/724013181.db2.gz CFCBAQHFPGOVRD-ZDUSSCGKSA-N 1 0 372.512 3.273 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[NH+](CCOC(C)C)CC2)c1O ZINC000775713382 724029542 /nfs/dbraw/zinc/02/95/42/724029542.db2.gz LPXYTWXHWSHYKW-UHFFFAOYSA-N 1 0 371.319 3.006 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(N(C)C)cc1 ZINC000775830446 724068877 /nfs/dbraw/zinc/06/88/77/724068877.db2.gz IZNKEHAYLGPKRD-CYBMUJFWSA-N 1 0 356.857 3.265 20 10 FGCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000776807514 724184990 /nfs/dbraw/zinc/18/49/90/724184990.db2.gz ITDYMMXSTFAEMC-LSDHHAIUSA-N 1 0 350.459 3.138 20 10 FGCDRO C[NH+](C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000802379827 724380014 /nfs/dbraw/zinc/38/00/14/724380014.db2.gz VETDIPLDNYHMKZ-FIRRRZPPSA-N 1 0 360.841 3.184 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2c[nH+]cn2c1 ZINC000786331139 724973232 /nfs/dbraw/zinc/97/32/32/724973232.db2.gz NHFKNXHNDOCPAV-UHFFFAOYSA-N 1 0 374.238 3.465 20 10 FGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000786580200 724989795 /nfs/dbraw/zinc/98/97/95/724989795.db2.gz YEOAILJBDKNQAL-KRWDZBQOSA-N 1 0 364.283 3.465 20 10 FGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2O)cc1 ZINC000786579307 724989880 /nfs/dbraw/zinc/98/98/80/724989880.db2.gz OQBQHWUMXZPIBL-QGZVFWFLSA-N 1 0 364.283 3.465 20 10 FGCDRO COCC[N@H+](Cc1scnc1C)Cc1cc(Cl)cc(OC)c1O ZINC000787311083 725024664 /nfs/dbraw/zinc/02/46/64/725024664.db2.gz RDMMZDHERHKXCW-UHFFFAOYSA-N 1 0 356.875 3.468 20 10 FGCDRO CC1(C)CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449147 725028684 /nfs/dbraw/zinc/02/86/84/725028684.db2.gz JFHSOVVUBALPFF-WBVHZDCISA-N 1 0 366.889 3.084 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CCOC(C)C ZINC000788274093 725054329 /nfs/dbraw/zinc/05/43/29/725054329.db2.gz DPJJJEWZCNUAJF-OAHLLOKOSA-N 1 0 360.292 3.153 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000806138294 725117465 /nfs/dbraw/zinc/11/74/65/725117465.db2.gz YDPDBSMEHBKEBG-YOEHRIQHSA-N 1 0 358.404 3.364 20 10 FGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cc(Br)ccc1O ZINC000808729863 725215111 /nfs/dbraw/zinc/21/51/11/725215111.db2.gz QLTNXMQXNNHVDE-NCHVAJSOSA-N 1 0 364.239 3.300 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000809697618 725259957 /nfs/dbraw/zinc/25/99/57/725259957.db2.gz KFVMPTDGMARRRU-MRXNPFEDSA-N 1 0 351.878 3.124 20 10 FGCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701372 725260557 /nfs/dbraw/zinc/26/05/57/725260557.db2.gz XIPLUQOIYXVNGX-WMZOPIPTSA-N 1 0 350.478 3.178 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccccc1-n1cncn1 ZINC000809712820 725261706 /nfs/dbraw/zinc/26/17/06/725261706.db2.gz FREZLGNXMXZVEQ-UHFFFAOYSA-N 1 0 359.227 3.025 20 10 FGCDRO [NH3+]CCN(Cc1cc(Br)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000809728127 725263334 /nfs/dbraw/zinc/26/33/34/725263334.db2.gz LSZUZMGZGPPERQ-UHFFFAOYSA-N 1 0 366.215 3.028 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000809742390 725264480 /nfs/dbraw/zinc/26/44/80/725264480.db2.gz VMSSRSRCOCXSCN-QGZVFWFLSA-N 1 0 355.356 3.374 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1O ZINC000810244308 725299425 /nfs/dbraw/zinc/29/94/25/725299425.db2.gz ZYGKXZKVWVDSTH-NSHDSACASA-N 1 0 363.255 3.033 20 10 FGCDRO CCN(C)c1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000815106894 727038903 /nfs/dbraw/zinc/03/89/03/727038903.db2.gz FSABMHNCLGGKLW-UHFFFAOYSA-N 1 0 357.420 3.033 20 10 FGCDRO COc1cccc(C[NH2+]CCc2ccc(OC)c(OC)c2Cl)c1O ZINC000815143672 727044795 /nfs/dbraw/zinc/04/47/95/727044795.db2.gz BVEXXLOTFVHUNE-UHFFFAOYSA-N 1 0 351.830 3.404 20 10 FGCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816608377 727180324 /nfs/dbraw/zinc/18/03/24/727180324.db2.gz XUFSKYJDEGUCFQ-KRWDZBQOSA-N 1 0 353.340 3.473 20 10 FGCDRO CCCN(Cc1ccccc1O)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000816914246 727205231 /nfs/dbraw/zinc/20/52/31/727205231.db2.gz KELXEAIMJKOODB-GOSISDBHSA-N 1 0 362.539 3.348 20 10 FGCDRO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1=O ZINC000817589892 727268892 /nfs/dbraw/zinc/26/88/92/727268892.db2.gz RACBOLUCSFQKDP-NEPJUHHUSA-N 1 0 355.276 3.064 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCC[C@H]1C ZINC000823851595 729309104 /nfs/dbraw/zinc/30/91/04/729309104.db2.gz QCEWJKPMYJQJBL-UWVAXJGDSA-N 1 0 364.555 3.226 20 10 FGCDRO COc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c(O)c1 ZINC000824320831 729330696 /nfs/dbraw/zinc/33/06/96/729330696.db2.gz KVEPURRIPGHVET-UHFFFAOYSA-N 1 0 362.857 3.181 20 10 FGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824554480 729346780 /nfs/dbraw/zinc/34/67/80/729346780.db2.gz HQMFJMYDMIKQIA-AWEZNQCLSA-N 1 0 364.383 3.109 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000825353619 729380110 /nfs/dbraw/zinc/38/01/10/729380110.db2.gz OIJDDLFBBFLVDT-UKRRQHHQSA-N 1 0 358.301 3.299 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1Cl ZINC000825527071 729386786 /nfs/dbraw/zinc/38/67/86/729386786.db2.gz ZFBKVACGMMNGNL-UHFFFAOYSA-N 1 0 365.836 3.015 20 10 FGCDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825710453 729392561 /nfs/dbraw/zinc/39/25/61/729392561.db2.gz QCSXPVNOCATTBB-GWCFXTLKSA-N 1 0 368.193 3.290 20 10 FGCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000827411547 729429847 /nfs/dbraw/zinc/42/98/47/729429847.db2.gz YUAVVOMQFNGYKQ-IBGZPJMESA-N 1 0 364.555 3.384 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2cc(F)ccc2OC(F)F)cc1OC ZINC000827673918 729433138 /nfs/dbraw/zinc/43/31/38/729433138.db2.gz JURDAFNEHCHZAP-UHFFFAOYSA-N 1 0 357.328 3.440 20 10 FGCDRO Cc1cc(C(=O)CN2CCOC[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828487781 729443986 /nfs/dbraw/zinc/44/39/86/729443986.db2.gz KKUJTUQVNXTFGI-CYBMUJFWSA-N 1 0 361.873 3.294 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000834821152 729836760 /nfs/dbraw/zinc/83/67/60/729836760.db2.gz KUVAOHWYSZUGPY-NWDGAFQWSA-N 1 0 364.287 3.322 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1 ZINC000835042017 729852531 /nfs/dbraw/zinc/85/25/31/729852531.db2.gz FWAUAAYPQVKFLH-SREVYHEPSA-N 1 0 358.507 3.100 20 10 FGCDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000835073281 729856230 /nfs/dbraw/zinc/85/62/30/729856230.db2.gz KQAFTKUKODVTOV-UHFFFAOYSA-N 1 0 355.841 3.184 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C)n1 ZINC000840725630 730166426 /nfs/dbraw/zinc/16/64/26/730166426.db2.gz BSSNYIQXFLZAJE-UONOGXRCSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cc(Cl)ccc1O ZINC000840796955 730175012 /nfs/dbraw/zinc/17/50/12/730175012.db2.gz ICBVKLFYYBHDKW-LRDDRELGSA-N 1 0 355.862 3.112 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1O ZINC000840960489 730197698 /nfs/dbraw/zinc/19/76/98/730197698.db2.gz ICZSWZNWTIILFS-QFYYESIMSA-N 1 0 358.276 3.457 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc(Br)nn1C ZINC000840977121 730200277 /nfs/dbraw/zinc/20/02/77/730200277.db2.gz RPOFOKQFOOPKHE-CYBMUJFWSA-N 1 0 365.319 3.278 20 10 FGCDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCc1ccc(N)cc1 ZINC000841035945 730205163 /nfs/dbraw/zinc/20/51/63/730205163.db2.gz QVDIPZGXBKNNJU-OAHLLOKOSA-N 1 0 359.901 3.492 20 10 FGCDRO COc1ccc2nc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)sc2c1 ZINC000841040879 730205495 /nfs/dbraw/zinc/20/54/95/730205495.db2.gz AYNTYHFTPOYSOS-INIZCTEOSA-N 1 0 356.495 3.161 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CCCNCc2cccnc2)c1O ZINC000841042729 730205737 /nfs/dbraw/zinc/20/57/37/730205737.db2.gz QJACHKCAXHPXEX-UHFFFAOYSA-N 1 0 364.287 3.128 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1O ZINC000841747963 730270132 /nfs/dbraw/zinc/27/01/32/730270132.db2.gz VEDIWMUPXYDZQZ-LLVKDONJSA-N 1 0 354.859 3.268 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752684 730270795 /nfs/dbraw/zinc/27/07/95/730270795.db2.gz VBGRXQCJUVUDNH-DOPJRALCSA-N 1 0 352.906 3.464 20 10 FGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841757850 730271381 /nfs/dbraw/zinc/27/13/81/730271381.db2.gz GDBHFRFZLIXNFF-VOJFVSQTSA-N 1 0 351.830 3.447 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000841764257 730272037 /nfs/dbraw/zinc/27/20/37/730272037.db2.gz GHGHSXQQPBMTTJ-KGLIPLIRSA-N 1 0 373.875 3.167 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000842919970 730557058 /nfs/dbraw/zinc/55/70/58/730557058.db2.gz OEAKQYSWWKYPIJ-SJKOYZFVSA-N 1 0 372.303 3.291 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843044775 730573558 /nfs/dbraw/zinc/57/35/58/730573558.db2.gz IYFYHTARGZTXTJ-DOMZBBRYSA-N 1 0 369.303 3.127 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1O ZINC000843118271 730588142 /nfs/dbraw/zinc/58/81/42/730588142.db2.gz XJODPNPCGDRFQG-INIZCTEOSA-N 1 0 350.821 3.340 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@H]2c2ccncc2)c1O ZINC000843120850 730588350 /nfs/dbraw/zinc/58/83/50/730588350.db2.gz WVIDFNXHAQQOPT-INIZCTEOSA-N 1 0 362.271 3.005 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000843126602 730588771 /nfs/dbraw/zinc/58/87/71/730588771.db2.gz LOVHIKQEVQEBFZ-AWEZNQCLSA-N 1 0 353.304 3.285 20 10 FGCDRO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350216 730609433 /nfs/dbraw/zinc/60/94/33/730609433.db2.gz PODCPEUOFSDNBK-AWEZNQCLSA-N 1 0 357.885 3.256 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000844282801 730697823 /nfs/dbraw/zinc/69/78/23/730697823.db2.gz YAVCNMGDFNZURY-OAHLLOKOSA-N 1 0 363.845 3.275 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000844709701 730756072 /nfs/dbraw/zinc/75/60/72/730756072.db2.gz HEDBVRJWRHUYNU-UHFFFAOYSA-N 1 0 350.459 3.185 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000844934253 730791638 /nfs/dbraw/zinc/79/16/38/730791638.db2.gz FGBYEOMGOUTJRL-UHFFFAOYSA-N 1 0 365.905 3.499 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](C2CCCC2)CC1 ZINC000845022524 730802774 /nfs/dbraw/zinc/80/27/74/730802774.db2.gz OXVGNDAJKKGQGT-UHFFFAOYSA-N 1 0 351.878 3.252 20 10 FGCDRO C[C@H](NC(=O)NCc1cc(Cl)ccc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000845100584 730810154 /nfs/dbraw/zinc/81/01/54/730810154.db2.gz BJRBDEHRXGHWFU-KBPBESRZSA-N 1 0 365.905 3.498 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)c1 ZINC000845938462 730910841 /nfs/dbraw/zinc/91/08/41/730910841.db2.gz SYVQCUPZEAFXRT-UHFFFAOYSA-N 1 0 350.459 3.184 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000846073629 730925510 /nfs/dbraw/zinc/92/55/10/730925510.db2.gz QNUKKAHVTAAJRC-XHDPSFHLSA-N 1 0 356.388 3.463 20 10 FGCDRO OC[C@H](CCF)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000846095917 730928485 /nfs/dbraw/zinc/92/84/85/730928485.db2.gz CLTSAFIAZMNRNH-AWEZNQCLSA-N 1 0 359.283 3.250 20 10 FGCDRO CC(C)C[N@H+](C)CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000846688914 730972784 /nfs/dbraw/zinc/97/27/84/730972784.db2.gz USZWCYUIGAEISO-UHFFFAOYSA-N 1 0 360.527 3.024 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c1O ZINC000848527920 731175694 /nfs/dbraw/zinc/17/56/94/731175694.db2.gz IFBSBFNOKMEYHB-MNOVXSKESA-N 1 0 357.292 3.297 20 10 FGCDRO CCc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)[nH]n1 ZINC000848530001 731176261 /nfs/dbraw/zinc/17/62/61/731176261.db2.gz AYKNHUBRKBRQOT-VIFPVBQESA-N 1 0 354.248 3.300 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2nc(C)no2)c1O ZINC000848534112 731176610 /nfs/dbraw/zinc/17/66/10/731176610.db2.gz MWOFMNZGYNVILC-SECBINFHSA-N 1 0 370.247 3.138 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C2CCCC2)c1O ZINC000848551296 731180161 /nfs/dbraw/zinc/18/01/61/731180161.db2.gz IUECHGLYMCDDGN-IINYFYTJSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cnc(C)cn2)c1O ZINC000848552130 731180547 /nfs/dbraw/zinc/18/05/47/731180547.db2.gz HTFMHADOFWDIAB-NSHDSACASA-N 1 0 366.259 3.155 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848569605 731183357 /nfs/dbraw/zinc/18/33/57/731183357.db2.gz FYJCUWXSMAAGPN-GWCFXTLKSA-N 1 0 369.259 3.097 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1[O-] ZINC000849350512 731251480 /nfs/dbraw/zinc/25/14/80/731251480.db2.gz OVFNMIUXPYVXKY-ZDUSSCGKSA-N 1 0 353.850 3.165 20 10 FGCDRO Cc1nc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]c1C ZINC000850114398 731320840 /nfs/dbraw/zinc/32/08/40/731320840.db2.gz DPLOOHAAVMHJCQ-UHFFFAOYSA-N 1 0 350.413 3.387 20 10 FGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850155132 731327064 /nfs/dbraw/zinc/32/70/64/731327064.db2.gz OEDYRAWOSCSRKK-GDBMZVCRSA-N 1 0 369.527 3.144 20 10 FGCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850310681 731341887 /nfs/dbraw/zinc/34/18/87/731341887.db2.gz ZCPUKWCJELNZMN-AWEZNQCLSA-N 1 0 350.503 3.340 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1F ZINC000850353342 731347129 /nfs/dbraw/zinc/34/71/29/731347129.db2.gz APQDQMSVZOEKEO-ZIFCJYIRSA-N 1 0 352.494 3.328 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c1O ZINC000850421503 731355456 /nfs/dbraw/zinc/35/54/56/731355456.db2.gz YAULOMJLKPUHKG-ZBEGNZNMSA-N 1 0 366.255 3.375 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C1CCOCC1 ZINC000850493047 731363381 /nfs/dbraw/zinc/36/33/81/731363381.db2.gz DTZSSEFQLIYPBY-NHYWBVRUSA-N 1 0 358.276 3.247 20 10 FGCDRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(Br)ccc1O ZINC000850498149 731364987 /nfs/dbraw/zinc/36/49/87/731364987.db2.gz XWRZYWSFYCNXGK-FHZGZLOMSA-N 1 0 374.222 3.116 20 10 FGCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000850545577 731371541 /nfs/dbraw/zinc/37/15/41/731371541.db2.gz HILXZNLYJOWLTQ-VHSSKADRSA-N 1 0 350.890 3.131 20 10 FGCDRO FC(F)(F)c1ccncc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000853094566 731664621 /nfs/dbraw/zinc/66/46/21/731664621.db2.gz GHVRRCBZAPVWJH-UHFFFAOYSA-N 1 0 351.372 3.227 20 10 FGCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCCSc1nccs1 ZINC000853857515 731763553 /nfs/dbraw/zinc/76/35/53/731763553.db2.gz FGUNRZWVRINBHB-CQSZACIVSA-N 1 0 356.561 3.045 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cc(Br)ccc1O ZINC000858475502 732218675 /nfs/dbraw/zinc/21/86/75/732218675.db2.gz ZUVJLQIGQFNFQM-OCCSQVGLSA-N 1 0 354.244 3.457 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862427942 732832524 /nfs/dbraw/zinc/83/25/24/732832524.db2.gz IRHLMJJKKFEVIV-GOSISDBHSA-N 1 0 357.523 3.437 20 10 FGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3cc(OC)ccc3O)CC2)s1 ZINC000862474721 732839157 /nfs/dbraw/zinc/83/91/57/732839157.db2.gz YUXGBKSMMNRQFE-UHFFFAOYSA-N 1 0 362.451 3.024 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000865762085 733265563 /nfs/dbraw/zinc/26/55/63/733265563.db2.gz LERUAIIWWNKVSP-WBMJQRKESA-N 1 0 370.287 3.458 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3nn(C)cc3C(F)F)CC2)cc1 ZINC000865807459 733273254 /nfs/dbraw/zinc/27/32/54/733273254.db2.gz MRYVDIQAEHJOAN-UHFFFAOYSA-N 1 0 350.413 3.125 20 10 FGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866535776 733362245 /nfs/dbraw/zinc/36/22/45/733362245.db2.gz HSNBKVFXWFSJAQ-STQMWFEESA-N 1 0 351.443 3.389 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000872111855 735589833 /nfs/dbraw/zinc/58/98/33/735589833.db2.gz GSVZTFWZEYQHBP-VXGBXAGGSA-N 1 0 356.260 3.457 20 10 FGCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000876946488 736166526 /nfs/dbraw/zinc/16/65/26/736166526.db2.gz SCZAHRFRINTOJW-SGANQWHYSA-N 1 0 372.421 3.475 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C)cc2O)s1 ZINC000876983348 736170231 /nfs/dbraw/zinc/17/02/31/736170231.db2.gz VWKJLEZCTQWCQL-UHFFFAOYSA-N 1 0 368.524 3.082 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000877691693 736706511 /nfs/dbraw/zinc/70/65/11/736706511.db2.gz OTIJQPIUBUJUDH-KRWDZBQOSA-N 1 0 350.802 3.260 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000877698182 736707911 /nfs/dbraw/zinc/70/79/11/736707911.db2.gz UXEUKINMFLCTIR-UHFFFAOYSA-N 1 0 356.539 3.299 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1Cl ZINC000877735169 736711661 /nfs/dbraw/zinc/71/16/61/736711661.db2.gz PSNDORQMHYPUJZ-UHFFFAOYSA-N 1 0 359.857 3.169 20 10 FGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cc(Br)no1 ZINC000878150444 736780498 /nfs/dbraw/zinc/78/04/98/736780498.db2.gz DKLPMHJYQUXTCR-CYBMUJFWSA-N 1 0 355.232 3.088 20 10 FGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1cc(Br)no1 ZINC000878150445 736780687 /nfs/dbraw/zinc/78/06/87/736780687.db2.gz DKLPMHJYQUXTCR-ZDUSSCGKSA-N 1 0 355.232 3.088 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1O ZINC000879648205 737023219 /nfs/dbraw/zinc/02/32/19/737023219.db2.gz DUZDVHLLRIWXPE-CYBMUJFWSA-N 1 0 355.463 3.011 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1F ZINC000883252969 737541221 /nfs/dbraw/zinc/54/12/21/737541221.db2.gz FMRCDFGEZZGMTQ-HNNXBMFYSA-N 1 0 354.441 3.096 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(Br)cc1O ZINC000883276132 737544510 /nfs/dbraw/zinc/54/45/10/737544510.db2.gz GMKVJEZBUKFICP-YPMHNXCESA-N 1 0 354.244 3.250 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c(O)c1OC ZINC000893265365 742132628 /nfs/dbraw/zinc/13/26/28/742132628.db2.gz BOSMZAIBXBSMGL-AWEZNQCLSA-N 1 0 355.793 3.025 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c(O)c1OC ZINC000893617348 742177643 /nfs/dbraw/zinc/17/76/43/742177643.db2.gz RRFBQGRKHPUUFC-GOSISDBHSA-N 1 0 351.830 3.060 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000895459092 742414484 /nfs/dbraw/zinc/41/44/84/742414484.db2.gz XISSGHOWYAMOIG-CTYIDZIISA-N 1 0 350.459 3.102 20 10 FGCDRO COc1ccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c(O)c1OC ZINC000895463034 742415081 /nfs/dbraw/zinc/41/50/81/742415081.db2.gz FPDIPAYJXPXCHM-UHFFFAOYSA-N 1 0 351.443 3.011 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1O ZINC000895847877 742462775 /nfs/dbraw/zinc/46/27/75/742462775.db2.gz WWBIOKYRBYGRGX-FZMZJTMJSA-N 1 0 356.260 3.164 20 10 FGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(OC)c3O)C2)n1 ZINC000897043439 742635378 /nfs/dbraw/zinc/63/53/78/742635378.db2.gz LKMJOFQDDYWHSL-MFKMUULPSA-N 1 0 351.834 3.426 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1O ZINC000897781043 742713040 /nfs/dbraw/zinc/71/30/40/742713040.db2.gz NVSUSDMHBPDRLT-UFRSZFPASA-N 1 0 356.260 3.211 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1C ZINC000898724812 742827001 /nfs/dbraw/zinc/82/70/01/742827001.db2.gz BJGIQKAMDYRMBJ-ZDUSSCGKSA-N 1 0 350.260 3.067 20 10 FGCDRO CCc1onc(C)c1/C=C1\SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000899260733 742900697 /nfs/dbraw/zinc/90/06/97/742900697.db2.gz PPFGFFPJCKBUMX-ZSOIEALJSA-N 1 0 367.540 3.334 20 10 FGCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000903131592 743810881 /nfs/dbraw/zinc/81/08/81/743810881.db2.gz UVTYYMJJJKWWMW-UMNHJUIQSA-N 1 0 372.259 3.156 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)ccc1O ZINC000903422151 743847872 /nfs/dbraw/zinc/84/78/72/743847872.db2.gz ZQKQKNIQKGQWHQ-CQSZACIVSA-N 1 0 366.259 3.122 20 10 FGCDRO Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CC[NH2+]CC2)cc1 ZINC000911659839 757200737 /nfs/dbraw/zinc/20/07/37/757200737.db2.gz FMQUGQMWESVXMO-UHFFFAOYSA-N 1 0 374.282 3.291 20 10 FGCDRO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000916836162 758142804 /nfs/dbraw/zinc/14/28/04/758142804.db2.gz CNJSYYUMQHNYCC-KRWDZBQOSA-N 1 0 358.404 3.067 20 10 FGCDRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000922389221 758910295 /nfs/dbraw/zinc/91/02/95/758910295.db2.gz SIGXTKAONBNISJ-LMSBXDPUSA-N 1 0 373.324 3.268 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(N2CCOCC2)cc1Cl ZINC000926940535 759852726 /nfs/dbraw/zinc/85/27/26/759852726.db2.gz PKFNTIYUNYUOLT-HPFXQQBRSA-N 1 0 362.901 3.418 20 10 FGCDRO C[C@H]([NH2+]CCOC1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000927075198 759886227 /nfs/dbraw/zinc/88/62/27/759886227.db2.gz BWWLXUVQJLFXTO-HNNXBMFYSA-N 1 0 368.905 3.023 20 10 FGCDRO Oc1ccccc1C[N@H+](CCOC1CCSCC1)C[C@H]1CCCO1 ZINC000929970893 760503765 /nfs/dbraw/zinc/50/37/65/760503765.db2.gz LPEQAUKHNITINW-GOSISDBHSA-N 1 0 351.512 3.285 20 10 FGCDRO COC1CCN(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779028074 724382655 /nfs/dbraw/zinc/38/26/55/724382655.db2.gz VXIORNMXTQJIID-ZDUSSCGKSA-N 1 0 371.319 3.225 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000779039591 724383650 /nfs/dbraw/zinc/38/36/50/724383650.db2.gz DFHQKSPNBCTSQV-PELKAZGASA-N 1 0 356.182 3.427 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)ccc21 ZINC000573737100 505607600 /nfs/dbraw/zinc/60/76/00/505607600.db2.gz IQCJOLROVKMSFS-IBGZPJMESA-N 1 0 357.498 3.022 20 10 FGCDRO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N1CC[NH+](C)CC1 ZINC000064620229 494138259 /nfs/dbraw/zinc/13/82/59/494138259.db2.gz LRJYUSRVBQNTAR-MRXNPFEDSA-N 1 0 360.329 3.061 20 10 FGCDRO O=C(Nc1cnccn1)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000054388940 494228575 /nfs/dbraw/zinc/22/85/75/494228575.db2.gz FFYURRDGIYPJRY-UHFFFAOYSA-N 1 0 362.433 3.186 20 10 FGCDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000121522454 494790870 /nfs/dbraw/zinc/79/08/70/494790870.db2.gz LDTMEUYQKHBPAX-HOTGVXAUSA-N 1 0 360.477 3.154 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cccc(C)n3)CC2)c1 ZINC000121968238 494900784 /nfs/dbraw/zinc/90/07/84/494900784.db2.gz XIIFEJCZFLHHPZ-UHFFFAOYSA-N 1 0 369.465 3.345 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000105427940 495364727 /nfs/dbraw/zinc/36/47/27/495364727.db2.gz AQCMFFZIYADKDZ-UHFFFAOYSA-N 1 0 368.403 3.213 20 10 FGCDRO CC1(C)CC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC(C)(C)[NH2+]1 ZINC000125137423 495395977 /nfs/dbraw/zinc/39/59/77/495395977.db2.gz CHQGBMFMCODSTB-UHFFFAOYSA-N 1 0 356.514 3.171 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154949722 495782701 /nfs/dbraw/zinc/78/27/01/495782701.db2.gz DQLQRKOKNYJMKB-INIZCTEOSA-N 1 0 353.871 3.230 20 10 FGCDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151357189 495813834 /nfs/dbraw/zinc/81/38/34/495813834.db2.gz AJLWOHGURSFXKG-QGZVFWFLSA-N 1 0 363.521 3.313 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000186032199 495828237 /nfs/dbraw/zinc/82/82/37/495828237.db2.gz TZBGLLWRDJUBEF-OAHLLOKOSA-N 1 0 360.479 3.091 20 10 FGCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2=O)cc1 ZINC000186050312 495836606 /nfs/dbraw/zinc/83/66/06/495836606.db2.gz PAAKYGJWIWKPBV-HNAYVOBHSA-N 1 0 354.450 3.161 20 10 FGCDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(F)ccc3O)cc2)C[C@H](C)O1 ZINC000180520580 496030817 /nfs/dbraw/zinc/03/08/17/496030817.db2.gz CJMVMZFTISVEDL-GJZGRUSLSA-N 1 0 372.440 3.071 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180678005 496100694 /nfs/dbraw/zinc/10/06/94/496100694.db2.gz YLHFNFQYLISCGW-CANCMXDXSA-N 1 0 363.479 3.340 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(Br)ccc1O ZINC000156735621 496323513 /nfs/dbraw/zinc/32/35/13/496323513.db2.gz SXHQJOSSYKMBTQ-GXTWGEPZSA-N 1 0 350.260 3.476 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)ccc1OC ZINC000184937151 496592216 /nfs/dbraw/zinc/59/22/16/496592216.db2.gz IDXRUIPAMCHRNC-DFBJGRDBSA-N 1 0 361.507 3.441 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cc(F)ccc1O ZINC000184965391 496603531 /nfs/dbraw/zinc/60/35/31/496603531.db2.gz ZUYINYWXUPOSMO-OAHLLOKOSA-N 1 0 371.456 3.285 20 10 FGCDRO O=C(CCc1ccncc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158073269 496621565 /nfs/dbraw/zinc/62/15/65/496621565.db2.gz UAWGGHFIWHGRRG-SFHVURJKSA-N 1 0 373.884 3.154 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c1 ZINC000185147006 496680835 /nfs/dbraw/zinc/68/08/35/496680835.db2.gz LTCCVLJJLULOSX-SFHVURJKSA-N 1 0 370.493 3.262 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCc4c3cnn4C)cc2F)C[C@@H](C)O1 ZINC000268782267 496784696 /nfs/dbraw/zinc/78/46/96/496784696.db2.gz DKGKCUSRIUPPAR-CLCXKQKWSA-N 1 0 372.488 3.340 20 10 FGCDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273367165 496785570 /nfs/dbraw/zinc/78/55/70/496785570.db2.gz FEOBUTYMTKVJJI-NSHDSACASA-N 1 0 362.382 3.177 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1C ZINC000273464304 496813594 /nfs/dbraw/zinc/81/35/94/496813594.db2.gz QWIUCTMICSIMAS-QFBILLFUSA-N 1 0 353.466 3.246 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000274815979 497173153 /nfs/dbraw/zinc/17/31/53/497173153.db2.gz WLGRSZHYCDKEQS-HXUWFJFHSA-N 1 0 354.498 3.225 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274951146 497205167 /nfs/dbraw/zinc/20/51/67/497205167.db2.gz SFVBZZSYWPNGKX-UHFFFAOYSA-N 1 0 356.470 3.098 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CC1 ZINC000193991284 497542420 /nfs/dbraw/zinc/54/24/20/497542420.db2.gz QGXVKLKONBFISB-BHIFYINESA-N 1 0 370.537 3.333 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(C)cc1O ZINC000279970042 497605659 /nfs/dbraw/zinc/60/56/59/497605659.db2.gz CWSBJKFDEKHKHQ-QGZVFWFLSA-N 1 0 368.543 3.334 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2O)c1 ZINC000280099221 497649600 /nfs/dbraw/zinc/64/96/00/497649600.db2.gz MYSJLPILQBRLBD-IBGZPJMESA-N 1 0 356.466 3.456 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000246410517 497724378 /nfs/dbraw/zinc/72/43/78/497724378.db2.gz UUADOMZFMSWTOP-WIYYLYMNSA-N 1 0 372.557 3.405 20 10 FGCDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856249 497831244 /nfs/dbraw/zinc/83/12/44/497831244.db2.gz BONKDQHBZACGQH-UIFIKXQLSA-N 1 0 372.509 3.075 20 10 FGCDRO Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280839901 497918587 /nfs/dbraw/zinc/91/85/87/497918587.db2.gz YDWFMHMQJMRJRE-SCLBCKFNSA-N 1 0 351.443 3.104 20 10 FGCDRO CC(=O)N1CCC(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000281026033 497992313 /nfs/dbraw/zinc/99/23/13/497992313.db2.gz YALIGOLMMIIXTQ-UHFFFAOYSA-N 1 0 357.420 3.120 20 10 FGCDRO CCN1CCC[C@@H](C[N@H+](C)Cc2cc(F)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000364713200 498106985 /nfs/dbraw/zinc/10/69/85/498106985.db2.gz FXTCLMONHLLPKW-MGPUTAFESA-N 1 0 360.477 3.170 20 10 FGCDRO Cc1cc(Br)cc(CN(C)Cc2nncn2C(C)C)c1O ZINC000292857688 498172837 /nfs/dbraw/zinc/17/28/37/498172837.db2.gz UYGAQHJLTCWXNZ-UHFFFAOYSA-N 1 0 353.264 3.268 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1O ZINC000293210791 498307696 /nfs/dbraw/zinc/30/76/96/498307696.db2.gz YGMVNTBDFIQWQX-KBXCAEBGSA-N 1 0 372.440 3.382 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000290154217 498444401 /nfs/dbraw/zinc/44/44/01/498444401.db2.gz PGMQTWQOUBOADX-GOSISDBHSA-N 1 0 352.544 3.227 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1OC ZINC000293703868 498460572 /nfs/dbraw/zinc/46/05/72/498460572.db2.gz RTHOPYJKPFIURN-UHFFFAOYSA-N 1 0 357.328 3.440 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1OC ZINC000290279696 498494159 /nfs/dbraw/zinc/49/41/59/498494159.db2.gz YXVVKMFOUGISMX-OAHLLOKOSA-N 1 0 351.830 3.276 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cn4cccnc4n3)C2)cc1 ZINC000297785225 498566735 /nfs/dbraw/zinc/56/67/35/498566735.db2.gz WKPMAMXSQGIZAU-CQSZACIVSA-N 1 0 373.407 3.089 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287061918 498612596 /nfs/dbraw/zinc/61/25/96/498612596.db2.gz NOLJRQNWJAOPHQ-HZPDHXFCSA-N 1 0 368.518 3.291 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NCc2ccc3c[nH+]cn3c2)C2CC2)cc1 ZINC000298000742 498634252 /nfs/dbraw/zinc/63/42/52/498634252.db2.gz ZLWMAIYKJFQPCZ-UHFFFAOYSA-N 1 0 363.465 3.275 20 10 FGCDRO CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1cc(Br)ccc1O ZINC000282907928 498705296 /nfs/dbraw/zinc/70/52/96/498705296.db2.gz XEZHCULSPIHBBN-HNNXBMFYSA-N 1 0 368.275 3.239 20 10 FGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1C ZINC000294738380 498788788 /nfs/dbraw/zinc/78/87/88/498788788.db2.gz DTASUNCFKXILII-LJQANCHMSA-N 1 0 355.482 3.139 20 10 FGCDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000298607021 498826939 /nfs/dbraw/zinc/82/69/39/498826939.db2.gz NRMTXOAACPANLS-WCWDXBQESA-N 1 0 367.453 3.497 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)cc1OC ZINC000295054453 498894799 /nfs/dbraw/zinc/89/47/99/498894799.db2.gz GAJGNDKPIHQMDP-CYBMUJFWSA-N 1 0 368.474 3.192 20 10 FGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc(C)c1O ZINC000299143043 498976415 /nfs/dbraw/zinc/97/64/15/498976415.db2.gz AJPJLVDFAMUEDG-UHFFFAOYSA-N 1 0 358.457 3.399 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(N(C)C)cc1 ZINC000363758636 498977929 /nfs/dbraw/zinc/97/79/29/498977929.db2.gz SAEPZTWMHKFXCQ-AZUAARDMSA-N 1 0 352.482 3.103 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc2c(cc1O)CCCC2 ZINC000363857044 499027125 /nfs/dbraw/zinc/02/71/25/499027125.db2.gz PMSRQDUSMHEFDH-KUHUBIRLSA-N 1 0 355.482 3.188 20 10 FGCDRO CC(C)[NH+]1CCC(NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1 ZINC000363874886 499034580 /nfs/dbraw/zinc/03/45/80/499034580.db2.gz JVIGDVIWTWWPBC-UHFFFAOYSA-N 1 0 356.514 3.034 20 10 FGCDRO O=C1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C2CC2)N1 ZINC000366925182 499116950 /nfs/dbraw/zinc/11/69/50/499116950.db2.gz KGNSSAXRFUWUNT-DENIHFKCSA-N 1 0 366.461 3.118 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(Br)ccc1O ZINC000367066359 499142633 /nfs/dbraw/zinc/14/26/33/499142633.db2.gz JBXOTKNBYDFKNV-JJRVBVJISA-N 1 0 367.287 3.253 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c(O)c1 ZINC000369901968 499148242 /nfs/dbraw/zinc/14/82/42/499148242.db2.gz JDCZEOPBWOSEJS-RYUDHWBXSA-N 1 0 354.376 3.268 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c1 ZINC000372587791 499150068 /nfs/dbraw/zinc/15/00/68/499150068.db2.gz ABJUDONCBXWKGK-YJBOKZPZSA-N 1 0 358.482 3.186 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ncccc3C)CC2)c1 ZINC000367226385 499164638 /nfs/dbraw/zinc/16/46/38/499164638.db2.gz LERBXDYSKNNXQJ-UHFFFAOYSA-N 1 0 369.465 3.345 20 10 FGCDRO CCCC[N@H+](Cc1cnc(-c2cnn(C)c2)nc1)Cc1ccccc1O ZINC000370277274 499204826 /nfs/dbraw/zinc/20/48/26/499204826.db2.gz TZJCHSLPOTYXAY-UHFFFAOYSA-N 1 0 351.454 3.385 20 10 FGCDRO [NH3+]CCCCCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370782850 499254135 /nfs/dbraw/zinc/25/41/35/499254135.db2.gz VUIZZTUCJSQFII-UHFFFAOYSA-N 1 0 369.456 3.282 20 10 FGCDRO CC1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000368063997 499261067 /nfs/dbraw/zinc/26/10/67/499261067.db2.gz SKSXRZPWTZLISF-HWKANZROSA-N 1 0 358.482 3.082 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000371397305 499320814 /nfs/dbraw/zinc/32/08/14/499320814.db2.gz ZYBCQFHEDDXRFL-ZDUSSCGKSA-N 1 0 361.467 3.098 20 10 FGCDRO Cc1cnn(C)c1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000375685576 499545238 /nfs/dbraw/zinc/54/52/38/499545238.db2.gz SDKISNPRZUWBDL-UHFFFAOYSA-N 1 0 350.413 3.089 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1O ZINC000377803573 499736700 /nfs/dbraw/zinc/73/67/00/499736700.db2.gz YAUUTHMJZYMGMV-CMPLNLGQSA-N 1 0 350.260 3.394 20 10 FGCDRO CC[C@@H]1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CCO1 ZINC000443951710 500782443 /nfs/dbraw/zinc/78/24/43/500782443.db2.gz UVYDWKVAGPDJOK-QGZVFWFLSA-N 1 0 369.509 3.045 20 10 FGCDRO CCOc1ccc(N(CC2CC2)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1 ZINC000602580226 506223277 /nfs/dbraw/zinc/22/32/77/506223277.db2.gz WWIHPRHZYDFXMV-MRXNPFEDSA-N 1 0 368.481 3.175 20 10 FGCDRO CO[C@H]1CC[C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000435993567 501055063 /nfs/dbraw/zinc/05/50/63/501055063.db2.gz VOZYCRWORDNKOX-IRXDYDNUSA-N 1 0 369.509 3.092 20 10 FGCDRO CS[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000452555865 501522676 /nfs/dbraw/zinc/52/26/76/501522676.db2.gz ZEGZUMLZLLRADE-INIZCTEOSA-N 1 0 371.550 3.372 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000472234704 502279406 /nfs/dbraw/zinc/27/94/06/502279406.db2.gz XFONIOYZLDORNL-UHFFFAOYSA-N 1 0 368.481 3.353 20 10 FGCDRO CC[N@H+](CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C1CC1 ZINC000489909310 503063177 /nfs/dbraw/zinc/06/31/77/503063177.db2.gz WPISEUIZRZLHKQ-UHFFFAOYSA-N 1 0 357.498 3.119 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncccc2O)C1 ZINC000584759191 507488947 /nfs/dbraw/zinc/48/89/47/507488947.db2.gz APHPHJBCJFSSMO-UHFFFAOYSA-N 1 0 364.449 3.147 20 10 FGCDRO CC[N@H+](CC(=O)N[C@@H](C)C(C)C)Cc1cc(Br)ccc1O ZINC000076118463 700224542 /nfs/dbraw/zinc/22/45/42/700224542.db2.gz WLSGFOWERJHNKJ-LBPRGKRZSA-N 1 0 357.292 3.137 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1O ZINC000091964168 700429586 /nfs/dbraw/zinc/42/95/86/700429586.db2.gz DMXIPDNJAVXIAZ-CQSZACIVSA-N 1 0 358.276 3.410 20 10 FGCDRO COc1cc(Br)cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000093659934 700453053 /nfs/dbraw/zinc/45/30/53/700453053.db2.gz WFMYHAYVRMTMQZ-OAHLLOKOSA-N 1 0 371.319 3.470 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2(O)CCCCCC2)c1O ZINC000117947069 700606382 /nfs/dbraw/zinc/60/63/82/700606382.db2.gz BMFPBNUWXBCEER-UHFFFAOYSA-N 1 0 358.276 3.338 20 10 FGCDRO CCn1nccc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000119023958 700618207 /nfs/dbraw/zinc/61/82/07/700618207.db2.gz HQKJTDGKFBPFAR-UHFFFAOYSA-N 1 0 350.413 3.263 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000119476741 700630278 /nfs/dbraw/zinc/63/02/78/700630278.db2.gz JZDQFOIHUJJWBK-GJZGRUSLSA-N 1 0 350.459 3.326 20 10 FGCDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000123044483 700699443 /nfs/dbraw/zinc/69/94/43/700699443.db2.gz WLSSZVHJOIBPHG-HOTGVXAUSA-N 1 0 351.922 3.036 20 10 FGCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000127310240 700759793 /nfs/dbraw/zinc/75/97/93/700759793.db2.gz MLFUMVBMJRVRCH-AWEZNQCLSA-N 1 0 357.292 3.079 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128474666 700775797 /nfs/dbraw/zinc/77/57/97/700775797.db2.gz WDENVHMIYOGQHJ-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO Cn1ncc(Cl)c1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000131882580 700821147 /nfs/dbraw/zinc/82/11/47/700821147.db2.gz ZHGKNARVBQNPNN-LBPRGKRZSA-N 1 0 370.831 3.434 20 10 FGCDRO CN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000154083331 705021837 /nfs/dbraw/zinc/02/18/37/705021837.db2.gz HUSFMARTVFKPFW-UHFFFAOYSA-N 1 0 357.420 3.129 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000154611160 705041196 /nfs/dbraw/zinc/04/11/96/705041196.db2.gz IJVOIJGLUFTKDA-HNNXBMFYSA-N 1 0 368.572 3.285 20 10 FGCDRO C[C@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000157771089 705163359 /nfs/dbraw/zinc/16/33/59/705163359.db2.gz FLHWDCDHSJTEOF-INIZCTEOSA-N 1 0 354.219 3.291 20 10 FGCDRO CCc1nsc(N2CCC[N@H+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000173558550 705464127 /nfs/dbraw/zinc/46/41/27/705464127.db2.gz NZUUEOACOGPZHK-UHFFFAOYSA-N 1 0 358.511 3.007 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCCN(C(C)C)C1=O ZINC000177027183 705601283 /nfs/dbraw/zinc/60/12/83/705601283.db2.gz DCMRWXJOZMISPN-OAHLLOKOSA-N 1 0 369.303 3.376 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000182457239 705844170 /nfs/dbraw/zinc/84/41/70/705844170.db2.gz FITOFNRIPZWIGJ-SNVBAGLBSA-N 1 0 359.451 3.166 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000185533745 712696391 /nfs/dbraw/zinc/69/63/91/712696391.db2.gz YQCFBZCFFZCBDC-WBMJQRKESA-N 1 0 350.459 3.355 20 10 FGCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2O)c(C)s1 ZINC000186141443 712710531 /nfs/dbraw/zinc/71/05/31/712710531.db2.gz QSZNPGNMCCHYRL-CYBMUJFWSA-N 1 0 368.524 3.008 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC000189920781 712803784 /nfs/dbraw/zinc/80/37/84/712803784.db2.gz JBCTWECKLBLAOI-ZFWWWQNUSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1F ZINC000193168024 712883780 /nfs/dbraw/zinc/88/37/80/712883780.db2.gz KSWGOUWLQKVLBE-UVTDQMKNSA-N 1 0 366.483 3.130 20 10 FGCDRO C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249740811 713669387 /nfs/dbraw/zinc/66/93/87/713669387.db2.gz IXVHOBJYZMWYFY-BRWVUGGUSA-N 1 0 361.555 3.117 20 10 FGCDRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000314682982 713805619 /nfs/dbraw/zinc/80/56/19/713805619.db2.gz ARDMIIIKZDADQC-CYBMUJFWSA-N 1 0 351.292 3.453 20 10 FGCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1C(F)(F)F ZINC000779094280 724389633 /nfs/dbraw/zinc/38/96/33/724389633.db2.gz PLLZNLORYAYTPV-LBPRGKRZSA-N 1 0 357.347 3.491 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c1O ZINC000700730374 722409867 /nfs/dbraw/zinc/40/98/67/722409867.db2.gz MYLZSSDJBJVREB-DZGCQCFKSA-N 1 0 350.459 3.278 20 10 FGCDRO OC[C@H](C[NH2+]Cc1cc(Br)ccc1O)Cc1ccc(F)cc1 ZINC000725846471 722424548 /nfs/dbraw/zinc/42/45/48/722424548.db2.gz JGAWKYSKUMJBMV-ZDUSSCGKSA-N 1 0 368.246 3.235 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1O ZINC000725850198 722424835 /nfs/dbraw/zinc/42/48/35/722424835.db2.gz QGNGODMTYJEXDN-CQSZACIVSA-N 1 0 357.328 3.123 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCc2ccc(O)cc2)c1O ZINC000725847538 722424892 /nfs/dbraw/zinc/42/48/92/722424892.db2.gz BIMZJQWVJMNFML-UHFFFAOYSA-N 1 0 352.228 3.201 20 10 FGCDRO COc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1O ZINC000734843023 722510517 /nfs/dbraw/zinc/51/05/17/722510517.db2.gz BSTXKMFKNKQMLN-PBHICJAKSA-N 1 0 355.356 3.025 20 10 FGCDRO CCc1cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740866317 722538664 /nfs/dbraw/zinc/53/86/64/722538664.db2.gz BLGSPDMBRYMUII-OAHLLOKOSA-N 1 0 353.528 3.119 20 10 FGCDRO C[S@@](=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000751152090 722796353 /nfs/dbraw/zinc/79/63/53/722796353.db2.gz KUCDYHOZBDMTNN-HXUWFJFHSA-N 1 0 354.269 3.182 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cc(Br)ccc1O ZINC000756398303 722963890 /nfs/dbraw/zinc/96/38/90/722963890.db2.gz UOCYSZBZSCGHDW-JSGCOSHPSA-N 1 0 366.255 3.245 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000756493486 722965523 /nfs/dbraw/zinc/96/55/23/722965523.db2.gz GAYGWSNESODJPA-CHWSQXEVSA-N 1 0 364.467 3.184 20 10 FGCDRO CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000759066148 722999010 /nfs/dbraw/zinc/99/90/10/722999010.db2.gz SZIGJFCNJHXOJX-WZUFQYTHSA-N 1 0 359.857 3.352 20 10 FGCDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000759581983 723009981 /nfs/dbraw/zinc/00/99/81/723009981.db2.gz ZBKNFFZSUYERIP-OKILXGFUSA-N 1 0 356.561 3.187 20 10 FGCDRO CS(=O)(=O)C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000760394925 723053508 /nfs/dbraw/zinc/05/35/08/723053508.db2.gz DZDXOMIYPYAKGU-UHFFFAOYSA-N 1 0 363.479 3.026 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000761191856 723131682 /nfs/dbraw/zinc/13/16/82/723131682.db2.gz XYZHQGWZCVSTHR-CQSZACIVSA-N 1 0 370.877 3.495 20 10 FGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)ccc1N1CCOCC1 ZINC000762612588 723261900 /nfs/dbraw/zinc/26/19/00/723261900.db2.gz GYMZTDJOCUCPIU-KBAYOESNSA-N 1 0 368.543 3.132 20 10 FGCDRO Cc1cccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c1O ZINC000763420742 723341830 /nfs/dbraw/zinc/34/18/30/723341830.db2.gz LEMWXWDUAJAIAC-CQSZACIVSA-N 1 0 364.283 3.404 20 10 FGCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792840369 723373355 /nfs/dbraw/zinc/37/33/55/723373355.db2.gz HDHQMBMIGYGVLU-AWEZNQCLSA-N 1 0 357.420 3.072 20 10 FGCDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000792977750 723389129 /nfs/dbraw/zinc/38/91/29/723389129.db2.gz MSEVGNDPSDNZET-RTBURBONSA-N 1 0 364.555 3.226 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(C(F)(F)F)c1 ZINC000793009987 723392368 /nfs/dbraw/zinc/39/23/68/723392368.db2.gz XZNZHXREOAKSGA-CYBMUJFWSA-N 1 0 357.420 3.260 20 10 FGCDRO CC[C@H](C)[C@H](OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689962 723461074 /nfs/dbraw/zinc/46/10/74/723461074.db2.gz QXOYEPNRTPSQSX-OWQGQXMQSA-N 1 0 368.905 3.187 20 10 FGCDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)cc1Cl ZINC000764965225 723464095 /nfs/dbraw/zinc/46/40/95/723464095.db2.gz UFOJYRRJTNDRSN-CWFSZBLJSA-N 1 0 363.933 3.454 20 10 FGCDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978640 723549754 /nfs/dbraw/zinc/54/97/54/723549754.db2.gz DQPCVIVCQVPQCQ-LPHOPBHVSA-N 1 0 364.555 3.226 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000767711643 723630567 /nfs/dbraw/zinc/63/05/67/723630567.db2.gz KYADEMYWSXNZJM-HNNXBMFYSA-N 1 0 353.384 3.362 20 10 FGCDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1c1ccc(Cl)cc1 ZINC000768652412 723664293 /nfs/dbraw/zinc/66/42/93/723664293.db2.gz PPTGJLCZYWMEBW-FXAWDEMLSA-N 1 0 356.853 3.337 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(F)CCCC1 ZINC000773408695 723784182 /nfs/dbraw/zinc/78/41/82/723784182.db2.gz URACGSHSYKDGEG-HNNXBMFYSA-N 1 0 354.853 3.409 20 10 FGCDRO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000774134345 723861913 /nfs/dbraw/zinc/86/19/13/723861913.db2.gz YZIWOHJBGWGZRE-CQSZACIVSA-N 1 0 360.479 3.470 20 10 FGCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000798963279 723980994 /nfs/dbraw/zinc/98/09/94/723980994.db2.gz BUXBCPFYYQWFQU-GOSISDBHSA-N 1 0 355.862 3.146 20 10 FGCDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000799198739 723997984 /nfs/dbraw/zinc/99/79/84/723997984.db2.gz KSSXPEOOAIITHF-OAHLLOKOSA-N 1 0 357.523 3.442 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1cc(Br)ccc1O ZINC000775526967 723998526 /nfs/dbraw/zinc/99/85/26/723998526.db2.gz UNJMUEKKKZWHTN-XBFCOCLRSA-N 1 0 355.276 3.110 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1O ZINC000775694682 724026362 /nfs/dbraw/zinc/02/63/62/724026362.db2.gz OAEMKEZNVYJXAE-UHFFFAOYSA-N 1 0 370.287 3.438 20 10 FGCDRO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834414 724069570 /nfs/dbraw/zinc/06/95/70/724069570.db2.gz NVRJUTJQTQWLBI-AWEZNQCLSA-N 1 0 359.436 3.450 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775968247 724090435 /nfs/dbraw/zinc/09/04/35/724090435.db2.gz IDXUGRCTGNZOJP-KBPBESRZSA-N 1 0 350.459 3.231 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000776865847 724190549 /nfs/dbraw/zinc/19/05/49/724190549.db2.gz VIDGYAYXBSMXDB-ZNMIVQPWSA-N 1 0 350.459 3.308 20 10 FGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000802221829 724365867 /nfs/dbraw/zinc/36/58/67/724365867.db2.gz JPUVFGQHIXJUQE-IBGZPJMESA-N 1 0 365.543 3.141 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1O ZINC000784643247 724869423 /nfs/dbraw/zinc/86/94/23/724869423.db2.gz JAIHHNDAKSXMAD-NEPJUHHUSA-N 1 0 358.276 3.458 20 10 FGCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)s1 ZINC000786828390 725002583 /nfs/dbraw/zinc/00/25/83/725002583.db2.gz QOLFLVYCGPHBAS-UHFFFAOYSA-N 1 0 364.536 3.432 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)c2c1c(F)ccc2O ZINC000786964624 725010484 /nfs/dbraw/zinc/01/04/84/725010484.db2.gz ZJHJYYSXWUVFTG-JOYOIKCWSA-N 1 0 355.456 3.334 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000788594506 725074518 /nfs/dbraw/zinc/07/45/18/725074518.db2.gz VOFYHDDWAQNLPD-AZUAARDMSA-N 1 0 364.555 3.368 20 10 FGCDRO CCOC(=O)c1csc(/C=C/c2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000806562129 725133430 /nfs/dbraw/zinc/13/34/30/725133430.db2.gz GQDOUXRGTKPHPG-RMKNXTFCSA-N 1 0 357.479 3.242 20 10 FGCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000807209246 725156994 /nfs/dbraw/zinc/15/69/94/725156994.db2.gz GIYBQTMPHCPRQE-CABCVRRESA-N 1 0 366.937 3.326 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1O ZINC000808680154 725213294 /nfs/dbraw/zinc/21/32/94/725213294.db2.gz CWHLQLLUGKFJMQ-KSSFIOAISA-N 1 0 370.946 3.213 20 10 FGCDRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000809690919 725258860 /nfs/dbraw/zinc/25/88/60/725258860.db2.gz FQLGSVQOORXIKW-MRXNPFEDSA-N 1 0 350.459 3.282 20 10 FGCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809691631 725259126 /nfs/dbraw/zinc/25/91/26/725259126.db2.gz PIUGZSRBMCTNQP-CQSZACIVSA-N 1 0 371.275 3.255 20 10 FGCDRO Cc1cc(Br)cc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1O ZINC000809737636 725264022 /nfs/dbraw/zinc/26/40/22/725264022.db2.gz KBSCSLMGBGYVPF-MRXNPFEDSA-N 1 0 371.319 3.006 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000813788535 726914469 /nfs/dbraw/zinc/91/44/69/726914469.db2.gz OUBMZUYWBJVPFL-RYUDHWBXSA-N 1 0 358.841 3.483 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1O ZINC000815148435 727045933 /nfs/dbraw/zinc/04/59/33/727045933.db2.gz WDHWUXQXIMBCIN-SECBINFHSA-N 1 0 353.216 3.115 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](CO)C2CCCCC2)c1O ZINC000815150147 727046279 /nfs/dbraw/zinc/04/62/79/727046279.db2.gz PJOPQYWHCHIAFP-CQSZACIVSA-N 1 0 372.303 3.442 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000816552228 727174580 /nfs/dbraw/zinc/17/45/80/727174580.db2.gz FBSBZFKELHSARQ-UHFFFAOYSA-N 1 0 364.730 3.195 20 10 FGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1 ZINC000817573107 727266667 /nfs/dbraw/zinc/26/66/67/727266667.db2.gz BAIGYUMMIKWLRE-OAHLLOKOSA-N 1 0 350.478 3.224 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)C2)cc1 ZINC000818219248 727302021 /nfs/dbraw/zinc/30/20/21/727302021.db2.gz AYDUUYCCHTZWOQ-JKIFEVAISA-N 1 0 358.404 3.221 20 10 FGCDRO CC[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000818351304 727308794 /nfs/dbraw/zinc/30/87/94/727308794.db2.gz QDOSWSALOASJMU-CYBMUJFWSA-N 1 0 353.406 3.277 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000823851628 729309180 /nfs/dbraw/zinc/30/91/80/729309180.db2.gz SKQHRRJBNLXWPU-MRXNPFEDSA-N 1 0 360.523 3.358 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824635275 729351799 /nfs/dbraw/zinc/35/17/99/729351799.db2.gz FZPFJLBHKGXOES-QFBILLFUSA-N 1 0 365.832 3.354 20 10 FGCDRO CCOc1cccc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1O ZINC000824733814 729357074 /nfs/dbraw/zinc/35/70/74/729357074.db2.gz ZFAXHGKMKSNPGI-UHFFFAOYSA-N 1 0 350.459 3.278 20 10 FGCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000824845015 729361767 /nfs/dbraw/zinc/36/17/67/729361767.db2.gz GRDKPMCUSZYUIY-XLIONFOSSA-N 1 0 352.494 3.041 20 10 FGCDRO Oc1cc(Br)ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000824870223 729363114 /nfs/dbraw/zinc/36/31/14/729363114.db2.gz OFPMEPSOGSMDQE-AWEZNQCLSA-N 1 0 353.304 3.463 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)Cc1ccccc1 ZINC000825138706 729372528 /nfs/dbraw/zinc/37/25/28/729372528.db2.gz UFELXNIVMNGQRX-CQSZACIVSA-N 1 0 350.256 3.096 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)cc1OC ZINC000825312816 729378262 /nfs/dbraw/zinc/37/82/62/729378262.db2.gz YHHRXGFBNSMSPG-SFHVURJKSA-N 1 0 363.479 3.464 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)c(O)c1 ZINC000825336947 729379236 /nfs/dbraw/zinc/37/92/36/729379236.db2.gz AXIIYUSNFSBPTC-KRWDZBQOSA-N 1 0 366.255 3.377 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825413481 729382312 /nfs/dbraw/zinc/38/23/12/729382312.db2.gz XSULWGMUDVESTA-UHFFFAOYSA-N 1 0 353.871 3.437 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000825768323 729394863 /nfs/dbraw/zinc/39/48/63/729394863.db2.gz HVDYFYBLHBFFRE-UHFFFAOYSA-N 1 0 368.300 3.370 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1Cl ZINC000825779590 729395123 /nfs/dbraw/zinc/39/51/23/729395123.db2.gz LVWZCIMTCFINCA-UHFFFAOYSA-N 1 0 367.898 3.101 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000826029256 729402797 /nfs/dbraw/zinc/40/27/97/729402797.db2.gz BGEKARCVPSSBAI-ZDUSSCGKSA-N 1 0 351.855 3.015 20 10 FGCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000827400607 729429785 /nfs/dbraw/zinc/42/97/85/729429785.db2.gz CROHZBZRQZSVRH-UHFFFAOYSA-N 1 0 350.260 3.446 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)C2(CO)CCOCC2)cc1 ZINC000827907858 729436862 /nfs/dbraw/zinc/43/68/62/729436862.db2.gz ISSLNWAXPCPBBJ-UHFFFAOYSA-N 1 0 360.523 3.358 20 10 FGCDRO CC[NH+](CC)CCCC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000828217416 729441279 /nfs/dbraw/zinc/44/12/79/729441279.db2.gz XOECVXVVZKAGQF-UHFFFAOYSA-N 1 0 352.450 3.211 20 10 FGCDRO C[C@H](Cc1ccccc1Cl)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267034 729700780 /nfs/dbraw/zinc/70/07/80/729700780.db2.gz LRCGXJGPHKNZHE-AUUYWEPGSA-N 1 0 359.901 3.401 20 10 FGCDRO Cc1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1Cl ZINC000832266401 729700806 /nfs/dbraw/zinc/70/08/06/729700806.db2.gz FOVOOCMKHNVZNZ-AWEZNQCLSA-N 1 0 367.280 3.193 20 10 FGCDRO C[C@H](Cc1ccccc1Cl)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267036 729701043 /nfs/dbraw/zinc/70/10/43/729701043.db2.gz LRCGXJGPHKNZHE-KUHUBIRLSA-N 1 0 359.901 3.401 20 10 FGCDRO Cc1ccc(C)c(SCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832278856 729701738 /nfs/dbraw/zinc/70/17/38/729701738.db2.gz DYOCKTXJONOYOT-GOSISDBHSA-N 1 0 357.523 3.278 20 10 FGCDRO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000834885998 729842813 /nfs/dbraw/zinc/84/28/13/729842813.db2.gz OSHYWBSUFSIPKU-OAHLLOKOSA-N 1 0 354.441 3.079 20 10 FGCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000835026778 729850531 /nfs/dbraw/zinc/85/05/31/729850531.db2.gz HNOQMERSXBYBNS-HWKANZROSA-N 1 0 356.539 3.430 20 10 FGCDRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483482 730034403 /nfs/dbraw/zinc/03/44/03/730034403.db2.gz AVYSHEAFOKBLRD-VQIMIIECSA-N 1 0 366.889 3.085 20 10 FGCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000840715583 730165196 /nfs/dbraw/zinc/16/51/96/730165196.db2.gz RSVDVYFLELVXKR-INIZCTEOSA-N 1 0 357.523 3.364 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cncc(F)c1 ZINC000840761304 730170620 /nfs/dbraw/zinc/17/06/20/730170620.db2.gz VQXAPSIJLFSKGP-LBPRGKRZSA-N 1 0 351.372 3.186 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)ccc1O ZINC000840886988 730188429 /nfs/dbraw/zinc/18/84/29/730188429.db2.gz QFTJQZVAPSMQCX-KDDOJWQBSA-N 1 0 350.203 3.354 20 10 FGCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840947684 730195356 /nfs/dbraw/zinc/19/53/56/730195356.db2.gz BZEHAKVBFXGPDC-CQSZACIVSA-N 1 0 351.752 3.281 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Cl)c1 ZINC000840953587 730196120 /nfs/dbraw/zinc/19/61/20/730196120.db2.gz VMTANEPYNJEEIJ-CYBMUJFWSA-N 1 0 370.877 3.080 20 10 FGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)c1cccc(Br)c1 ZINC000840958079 730197368 /nfs/dbraw/zinc/19/73/68/730197368.db2.gz IEUSVBHRXHQVCD-INIZCTEOSA-N 1 0 354.219 3.459 20 10 FGCDRO CCc1nocc1/C=C1\SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000841494412 730248996 /nfs/dbraw/zinc/24/89/96/730248996.db2.gz AYQYHEQYIMIZBX-QPEQYQDCSA-N 1 0 353.513 3.026 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)cc1O ZINC000841744703 730269793 /nfs/dbraw/zinc/26/97/93/730269793.db2.gz RRKXNHGDJHOROF-NSHDSACASA-N 1 0 354.859 3.268 20 10 FGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2O)s1 ZINC000841753241 730270688 /nfs/dbraw/zinc/27/06/88/730270688.db2.gz YEBBEVVJBUZIOS-LLVKDONJSA-N 1 0 374.915 3.045 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(Cl)cc1O ZINC000841753667 730271082 /nfs/dbraw/zinc/27/10/82/730271082.db2.gz MZAISEXLOGLINT-GUYCJALGSA-N 1 0 359.857 3.282 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841764862 730272024 /nfs/dbraw/zinc/27/20/24/730272024.db2.gz SHAXEEQNABCJCZ-GXTWGEPZSA-N 1 0 359.857 3.074 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841855570 730281376 /nfs/dbraw/zinc/28/13/76/730281376.db2.gz BNQFVIYVUUQEON-LSDHHAIUSA-N 1 0 368.572 3.047 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NCC3([NH3+])CCC3)cc2Cl)C1 ZINC000841895572 730283889 /nfs/dbraw/zinc/28/38/89/730283889.db2.gz DQSCDSAGHPLXOM-AWEZNQCLSA-N 1 0 364.921 3.257 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)ccc1O ZINC000842883579 730553609 /nfs/dbraw/zinc/55/36/09/730553609.db2.gz DWKXDMXEKAUPKU-MFKMUULPSA-N 1 0 355.276 3.205 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000843044411 730573024 /nfs/dbraw/zinc/57/30/24/730573024.db2.gz BFVTVOXLNOSZTB-CZUORRHYSA-N 1 0 353.304 3.427 20 10 FGCDRO Cc1cc(Br)cc(CN2CCC([NH2+]CC3CC3)CC2)c1O ZINC000843054582 730574522 /nfs/dbraw/zinc/57/45/22/730574522.db2.gz UWQTVOHVQOBLBB-UHFFFAOYSA-N 1 0 353.304 3.427 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cc4cnccc4o3)SC2=S)CC1 ZINC000844269479 730696476 /nfs/dbraw/zinc/69/64/76/730696476.db2.gz SLOMOZSBHWIERQ-OQLLNIDSSA-N 1 0 359.476 3.123 20 10 FGCDRO COCCOc1cc2c(cc1C[NH2+]Cc1cc(Cl)ccc1O)OCO2 ZINC000846058714 730924576 /nfs/dbraw/zinc/92/45/76/730924576.db2.gz SHAPHBZTZSFQQE-UHFFFAOYSA-N 1 0 365.813 3.089 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1O ZINC000846142535 730931836 /nfs/dbraw/zinc/93/18/36/730931836.db2.gz AQIAVHMCNUMGQO-WFASDCNBSA-N 1 0 350.459 3.355 20 10 FGCDRO CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000846210890 730936830 /nfs/dbraw/zinc/93/68/30/730936830.db2.gz CWRLSBPQJZQZDL-GOEBONIOSA-N 1 0 358.276 3.127 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1O ZINC000848520408 731174758 /nfs/dbraw/zinc/17/47/58/731174758.db2.gz ITJQGCINGSUJAN-QMTHXVAHSA-N 1 0 357.292 3.154 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)c1O ZINC000848530578 731176358 /nfs/dbraw/zinc/17/63/58/731176358.db2.gz BOKJMENFVABZJF-RYUDHWBXSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(N(C)C)CCC2)c1O ZINC000848547082 731179214 /nfs/dbraw/zinc/17/92/14/731179214.db2.gz JITIVILNFSEKOT-NSHDSACASA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC=CCC2)c1O ZINC000848549852 731179706 /nfs/dbraw/zinc/17/97/06/731179706.db2.gz VYUXLQNEPBLSMH-LBPRGKRZSA-N 1 0 355.276 3.076 20 10 FGCDRO COc1ccncc1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848551053 731180101 /nfs/dbraw/zinc/18/01/01/731180101.db2.gz CFIBCHNGBXUMDT-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO CCn1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000848553866 731180787 /nfs/dbraw/zinc/18/07/87/731180787.db2.gz ZFJFDRYEBBRIPX-JTQLQIEISA-N 1 0 354.248 3.231 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000850501808 731365591 /nfs/dbraw/zinc/36/55/91/731365591.db2.gz POEGAZANGXGQKZ-GMZLATJGSA-N 1 0 372.303 3.371 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000850545546 731371506 /nfs/dbraw/zinc/37/15/06/731371506.db2.gz HBDLIVIYNPYCEN-PWSUYJOCSA-N 1 0 358.276 3.223 20 10 FGCDRO CCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000850553839 731372536 /nfs/dbraw/zinc/37/25/36/731372536.db2.gz DNOZLDQZYXQIPU-YPMHNXCESA-N 1 0 357.292 3.298 20 10 FGCDRO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCCSc3nccs3)cc21 ZINC000852806672 731637150 /nfs/dbraw/zinc/63/71/50/731637150.db2.gz VWHGHVYZNMBQOF-OAHLLOKOSA-N 1 0 361.536 3.434 20 10 FGCDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000852919999 731644295 /nfs/dbraw/zinc/64/42/95/731644295.db2.gz IICYOKGNUAGORK-LLVKDONJSA-N 1 0 364.287 3.194 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093279 731664403 /nfs/dbraw/zinc/66/44/03/731664403.db2.gz HRCAEFFAKLTCKF-AWEZNQCLSA-N 1 0 353.304 3.366 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1F ZINC000858100190 732180566 /nfs/dbraw/zinc/18/05/66/732180566.db2.gz NDHXFBJNDFUFAW-NSHDSACASA-N 1 0 351.363 3.005 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Br)Cc1ccc(F)cc1 ZINC000858106624 732181215 /nfs/dbraw/zinc/18/12/15/732181215.db2.gz NADUZYKVGXMCFF-CYBMUJFWSA-N 1 0 368.246 3.235 20 10 FGCDRO O=C(CC1CCCCC1)NCC[NH2+]Cc1c(O)cccc1Br ZINC000858136358 732184206 /nfs/dbraw/zinc/18/42/06/732184206.db2.gz PTKJOQYAWPYYRA-UHFFFAOYSA-N 1 0 369.303 3.331 20 10 FGCDRO CN(C)C(=O)C1([NH2+]Cc2c(O)cccc2Br)CCCCC1 ZINC000858172722 732188691 /nfs/dbraw/zinc/18/86/91/732188691.db2.gz DKMDJPLKJOXVAT-UHFFFAOYSA-N 1 0 355.276 3.035 20 10 FGCDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1c(O)cccc1Br ZINC000858186370 732190328 /nfs/dbraw/zinc/19/03/28/732190328.db2.gz ZSSRLAPSAPGZKV-AWEZNQCLSA-N 1 0 363.255 3.021 20 10 FGCDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000858470639 732218082 /nfs/dbraw/zinc/21/80/82/732218082.db2.gz KBRUTMDSJNOYCG-SKDRFNHKSA-N 1 0 370.243 3.076 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1O ZINC000858548309 732226103 /nfs/dbraw/zinc/22/61/03/732226103.db2.gz ULMGLCKAZCSPDJ-DUFXMDAXSA-N 1 0 356.260 3.381 20 10 FGCDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000862242003 732796263 /nfs/dbraw/zinc/79/62/63/732796263.db2.gz RSKFDNQHYRJZJA-ZYHUDNBSSA-N 1 0 354.166 3.042 20 10 FGCDRO [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646855 732989978 /nfs/dbraw/zinc/98/99/78/732989978.db2.gz QDGQZFOCDVCYMI-ZYHUDNBSSA-N 1 0 367.209 3.114 20 10 FGCDRO COCCc1ncc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000865417341 733195399 /nfs/dbraw/zinc/19/53/99/733195399.db2.gz HOBRWPHHEZJIQT-UHFFFAOYSA-N 1 0 363.552 3.175 20 10 FGCDRO C[NH+]1CCC(n2cc(NCc3c(O)cccc3Br)cn2)CC1 ZINC000865704653 733254973 /nfs/dbraw/zinc/25/49/73/733254973.db2.gz WYQFHNKZVWCZLX-UHFFFAOYSA-N 1 0 365.275 3.230 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000865783001 733269268 /nfs/dbraw/zinc/26/92/68/733269268.db2.gz JXXZHSCDCHDSJF-AWEZNQCLSA-N 1 0 363.479 3.088 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1O ZINC000866517935 733359799 /nfs/dbraw/zinc/35/97/99/733359799.db2.gz RZADCBSYBJEINY-DZKIICNBSA-N 1 0 361.463 3.056 20 10 FGCDRO CCCOc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1C ZINC000873169628 735729708 /nfs/dbraw/zinc/72/97/08/735729708.db2.gz NEOVEZMXIWXZAK-AYHJJNSGSA-N 1 0 351.512 3.229 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000873171621 735730092 /nfs/dbraw/zinc/73/00/92/735730092.db2.gz QYCLUASGTKQUGX-ALOPSCKCSA-N 1 0 368.518 3.117 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000873291661 735747157 /nfs/dbraw/zinc/74/71/57/735747157.db2.gz HDUCNFOMOSWRJH-OLZOCXBDSA-N 1 0 358.404 3.220 20 10 FGCDRO COCC[N@H+](Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876547158 736112412 /nfs/dbraw/zinc/11/24/12/736112412.db2.gz JOZDFWZQEIADTP-UHFFFAOYSA-N 1 0 360.523 3.358 20 10 FGCDRO COCCc1ncc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000876632023 736124208 /nfs/dbraw/zinc/12/42/08/736124208.db2.gz PVVQAOOIFVKVMU-UHFFFAOYSA-N 1 0 361.511 3.053 20 10 FGCDRO Cc1ccc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)c(O)c1 ZINC000876640907 736124950 /nfs/dbraw/zinc/12/49/50/736124950.db2.gz BSWOYJWHVNIJTC-UHFFFAOYSA-N 1 0 363.479 3.005 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000876942187 736165820 /nfs/dbraw/zinc/16/58/20/736165820.db2.gz VXOLVKKFNRTTCA-MRXNPFEDSA-N 1 0 358.404 3.201 20 10 FGCDRO CCSc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000877439113 736219199 /nfs/dbraw/zinc/21/91/99/736219199.db2.gz VDXFAYJVWUUJDS-UHFFFAOYSA-N 1 0 357.523 3.445 20 10 FGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000877481835 736225898 /nfs/dbraw/zinc/22/58/98/736225898.db2.gz UYBKXVSYJDKIJH-UHFFFAOYSA-N 1 0 373.396 3.413 20 10 FGCDRO CO[C@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687621 736704669 /nfs/dbraw/zinc/70/46/69/736704669.db2.gz KRCTUCJNMVVDAG-SJORKVTESA-N 1 0 359.857 3.050 20 10 FGCDRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000883305947 737551179 /nfs/dbraw/zinc/55/11/79/737551179.db2.gz JRGODRIZYCDHSP-RDJZCZTQSA-N 1 0 368.518 3.434 20 10 FGCDRO COC[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCCOC1 ZINC000886355742 739248193 /nfs/dbraw/zinc/24/81/93/739248193.db2.gz NEQJGXMVDZLEIT-KBXCAEBGSA-N 1 0 351.487 3.230 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCSCC1 ZINC000886748996 739290997 /nfs/dbraw/zinc/29/09/97/739290997.db2.gz GBGLKJWJCWGQHX-OAHLLOKOSA-N 1 0 361.555 3.010 20 10 FGCDRO CN(C)c1ccc(-c2nc(-c3cn(CCCCC[NH3+])nn3)cs2)cc1 ZINC000887380092 739363963 /nfs/dbraw/zinc/36/39/63/739363963.db2.gz RCGFFHGJQCRWFA-UHFFFAOYSA-N 1 0 356.499 3.264 20 10 FGCDRO Cc1cc(CC[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000892472278 740004106 /nfs/dbraw/zinc/00/41/06/740004106.db2.gz VQKTWYVNOURHSF-APWZRJJASA-N 1 0 360.523 3.049 20 10 FGCDRO COc1cc(C)cc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)c1O ZINC000894326697 742268708 /nfs/dbraw/zinc/26/87/08/742268708.db2.gz RRNYUJMFKJRLBJ-UHFFFAOYSA-N 1 0 360.420 3.463 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](OC2CCCC2)C(F)(F)F)c(O)c1OC ZINC000895333260 742398543 /nfs/dbraw/zinc/39/85/43/742398543.db2.gz CAMMYJLZFCHNFP-AWEZNQCLSA-N 1 0 363.376 3.389 20 10 FGCDRO Cc1nc([C@@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)no1 ZINC000896236811 742519255 /nfs/dbraw/zinc/51/92/55/742519255.db2.gz IFMGYRXDBDQPJL-LLVKDONJSA-N 1 0 352.232 3.144 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC000896983904 742626644 /nfs/dbraw/zinc/62/66/44/742626644.db2.gz CYRFNEMJGDUUER-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1O ZINC000897037570 742634452 /nfs/dbraw/zinc/63/44/52/742634452.db2.gz SDRZVKPAFAHBDA-UHFFFAOYSA-N 1 0 353.768 3.191 20 10 FGCDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)c(C)cc1O)CCO2 ZINC000897997561 742731796 /nfs/dbraw/zinc/73/17/96/742731796.db2.gz GXTOQXNPIQDRBQ-QZTJIDSGSA-N 1 0 355.862 3.146 20 10 FGCDRO O=S(=O)(Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1)C1CC1 ZINC000898292503 742771188 /nfs/dbraw/zinc/77/11/88/742771188.db2.gz MNLGNNMPXFNXBG-UHFFFAOYSA-N 1 0 366.870 3.240 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1Cl ZINC000898400176 742790463 /nfs/dbraw/zinc/79/04/63/742790463.db2.gz XJNAKKIKUUMYNU-DEOSSOPVSA-N 1 0 373.950 3.140 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898724556 742827025 /nfs/dbraw/zinc/82/70/25/742827025.db2.gz NNFIWPIROUJMJV-VIFPVBQESA-N 1 0 356.651 3.109 20 10 FGCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000902763747 743773472 /nfs/dbraw/zinc/77/34/72/743773472.db2.gz YJIAAXPUQWQWIZ-FUHWJXTLSA-N 1 0 350.478 3.224 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000903181012 743818622 /nfs/dbraw/zinc/81/86/22/743818622.db2.gz MGNIGNUCSAYVNI-IRXDYDNUSA-N 1 0 358.404 3.364 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2Br)c2c1c(F)ccc2O ZINC000903187927 743819420 /nfs/dbraw/zinc/81/94/20/743819420.db2.gz LCDCYKPKMTYZNB-KCJUWKMLSA-N 1 0 354.223 3.365 20 10 FGCDRO C[C@](O)(C[NH2+]CCCSc1nccs1)C(F)(F)C(F)(F)F ZINC000905109176 743993591 /nfs/dbraw/zinc/99/35/91/743993591.db2.gz CIPCTJONFGJXIN-VIFPVBQESA-N 1 0 350.378 3.164 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000922421217 758921576 /nfs/dbraw/zinc/92/15/76/758921576.db2.gz DMCTUGSNZQFFBT-UHFFFAOYSA-N 1 0 352.544 3.226 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)c(Cl)c1 ZINC000922681392 758978360 /nfs/dbraw/zinc/97/83/60/758978360.db2.gz MHZMVIPHSUKYLD-UHFFFAOYSA-N 1 0 353.871 3.090 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1O ZINC000922896720 759024521 /nfs/dbraw/zinc/02/45/21/759024521.db2.gz JKQQGVCHPWJMQS-LRDDRELGSA-N 1 0 370.287 3.458 20 10 FGCDRO OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924717433 759375475 /nfs/dbraw/zinc/37/54/75/759375475.db2.gz URQWGNAKYFQNRL-PKOBYXMFSA-N 1 0 350.478 3.083 20 10 FGCDRO Cc1nonc1[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924904378 759414894 /nfs/dbraw/zinc/41/48/94/759414894.db2.gz CEYLATOSHRPFRY-NSHDSACASA-N 1 0 352.385 3.299 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCSCC1 ZINC000779014982 724380835 /nfs/dbraw/zinc/38/08/35/724380835.db2.gz ZHVYVKJJGUCWJY-YJBOKZPZSA-N 1 0 361.555 3.010 20 10 FGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779022748 724381418 /nfs/dbraw/zinc/38/14/18/724381418.db2.gz YRPJEIFQSLWTMD-DGCLKSJQSA-N 1 0 371.275 3.345 20 10 FGCDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090662173 494491486 /nfs/dbraw/zinc/49/14/86/494491486.db2.gz GXQSZYFZQFXZPR-MRXNPFEDSA-N 1 0 350.478 3.256 20 10 FGCDRO CC(C)c1noc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091675323 494643362 /nfs/dbraw/zinc/64/33/62/494643362.db2.gz GTCXWWYBXSEWNT-UHFFFAOYSA-N 1 0 355.486 3.337 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c1 ZINC000093009584 494806817 /nfs/dbraw/zinc/80/68/17/494806817.db2.gz ZVCOFFXCURWMGL-UHFFFAOYSA-N 1 0 372.465 3.395 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000120611835 495417824 /nfs/dbraw/zinc/41/78/24/495417824.db2.gz GDEOBTVOTKIHPO-HNNXBMFYSA-N 1 0 356.514 3.235 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185344566 495539636 /nfs/dbraw/zinc/53/96/36/495539636.db2.gz QQASHFSVYRCMAL-QWHCGFSZSA-N 1 0 360.329 3.233 20 10 FGCDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000154770391 495723369 /nfs/dbraw/zinc/72/33/69/495723369.db2.gz BUOCRUPFQHTIOX-QURGRASLSA-N 1 0 353.426 3.061 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000171128866 495736134 /nfs/dbraw/zinc/73/61/34/495736134.db2.gz JUXWALJIODGGEA-UHFFFAOYSA-N 1 0 354.450 3.185 20 10 FGCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183109737 495838463 /nfs/dbraw/zinc/83/84/63/495838463.db2.gz SDJGVCQUWSFABK-KRWDZBQOSA-N 1 0 354.450 3.059 20 10 FGCDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc4ccccc4c3O)C2=O)n(C)n1 ZINC000186083323 495848277 /nfs/dbraw/zinc/84/82/77/495848277.db2.gz YQEMTAYZULVGJS-RDTXWAMCSA-N 1 0 364.449 3.043 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)ccc1O ZINC000186144069 495872763 /nfs/dbraw/zinc/87/27/63/495872763.db2.gz YLKJELGONYLXAV-JOYOIKCWSA-N 1 0 350.768 3.250 20 10 FGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C(C)(C)O1 ZINC000151545866 495873889 /nfs/dbraw/zinc/87/38/89/495873889.db2.gz DAOGLCQSSUQXIN-SFHVURJKSA-N 1 0 350.478 3.223 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000151592009 495887575 /nfs/dbraw/zinc/88/75/75/495887575.db2.gz WOSIQQXHSMEEHU-MRXNPFEDSA-N 1 0 368.477 3.475 20 10 FGCDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000155414063 495950195 /nfs/dbraw/zinc/95/01/95/495950195.db2.gz RRNQUFOYNRDQDN-MRXNPFEDSA-N 1 0 353.466 3.332 20 10 FGCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000183446744 495987877 /nfs/dbraw/zinc/98/78/77/495987877.db2.gz XOSLIAOVLCFOJI-OAHLLOKOSA-N 1 0 362.495 3.071 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(Br)ccc1O ZINC000155586827 496004168 /nfs/dbraw/zinc/00/41/68/496004168.db2.gz JPAYDVJSCLCOQI-JSGCOSHPSA-N 1 0 365.275 3.110 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000180678040 496100316 /nfs/dbraw/zinc/10/03/16/496100316.db2.gz YLHFNFQYLISCGW-ZJWNCGCPSA-N 1 0 363.479 3.340 20 10 FGCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000161169704 496118789 /nfs/dbraw/zinc/11/87/89/496118789.db2.gz ZDFLHENVOBFSTA-MRXNPFEDSA-N 1 0 368.481 3.154 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161578451 496201006 /nfs/dbraw/zinc/20/10/06/496201006.db2.gz YGZLSFSIVRXMRZ-LPHOPBHVSA-N 1 0 358.457 3.089 20 10 FGCDRO C[C@@H](CC(=O)N(C)C)[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000152955044 496306074 /nfs/dbraw/zinc/30/60/74/496306074.db2.gz CDAQSWIPRDWCRL-ZDUSSCGKSA-N 1 0 373.419 3.010 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)C1CCS(=O)(=O)CC1 ZINC000187186949 496331035 /nfs/dbraw/zinc/33/10/35/496331035.db2.gz DDBGTZKQODXJSO-QGZVFWFLSA-N 1 0 364.555 3.226 20 10 FGCDRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178254425 496387742 /nfs/dbraw/zinc/38/77/42/496387742.db2.gz ZMILZDWEJDOYQN-INIZCTEOSA-N 1 0 361.505 3.187 20 10 FGCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000184694118 496495646 /nfs/dbraw/zinc/49/56/46/496495646.db2.gz RTLIXCYGCCBBLW-MRXNPFEDSA-N 1 0 351.830 3.228 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679453 496543521 /nfs/dbraw/zinc/54/35/21/496543521.db2.gz OJNOUCGRGFIABG-MJGOQNOKSA-N 1 0 357.542 3.315 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3nnc4ccccn43)CC2)cc1 ZINC000164125685 496587390 /nfs/dbraw/zinc/58/73/90/496587390.db2.gz JQVDXHXGUIHBSZ-OAHLLOKOSA-N 1 0 351.454 3.058 20 10 FGCDRO O=C(CCc1ccccn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158123679 496633295 /nfs/dbraw/zinc/63/32/95/496633295.db2.gz CGNPQTVRQCVSMY-SFHVURJKSA-N 1 0 373.884 3.154 20 10 FGCDRO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1O ZINC000185086988 496654816 /nfs/dbraw/zinc/65/48/16/496654816.db2.gz HJVDJUOQOSLVRQ-CQSZACIVSA-N 1 0 351.443 3.187 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c1 ZINC000185132482 496674179 /nfs/dbraw/zinc/67/41/79/496674179.db2.gz XFJSYVYPMMRGSQ-IRXDYDNUSA-N 1 0 370.493 3.472 20 10 FGCDRO COc1ccc(O)c(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000182231300 496715286 /nfs/dbraw/zinc/71/52/86/496715286.db2.gz IXZVREARZYYYNA-UHFFFAOYSA-N 1 0 359.813 3.437 20 10 FGCDRO COCc1ccc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000268827209 496796991 /nfs/dbraw/zinc/79/69/91/496796991.db2.gz ZHYUXFDQRSHISV-GJZGRUSLSA-N 1 0 362.445 3.469 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NCc3cc(OC)c(OC)cc3O)c2)CC1 ZINC000191884324 496919618 /nfs/dbraw/zinc/91/96/18/496919618.db2.gz UDRRCPYDVNNMLB-UHFFFAOYSA-N 1 0 371.481 3.163 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000277978874 496958962 /nfs/dbraw/zinc/95/89/62/496958962.db2.gz TVUFMBSECKQYBK-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c(O)c1C ZINC000274022598 496994864 /nfs/dbraw/zinc/99/48/64/496994864.db2.gz FJYZXCADZCEGRG-MRXNPFEDSA-N 1 0 374.506 3.400 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000278108127 497007366 /nfs/dbraw/zinc/00/73/66/497007366.db2.gz AXJGQADFMWWWJD-UKRRQHHQSA-N 1 0 350.459 3.278 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c(O)c1 ZINC000264938956 497013965 /nfs/dbraw/zinc/01/39/65/497013965.db2.gz FIOVSAGIBVAKAN-UHFFFAOYSA-N 1 0 372.465 3.424 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000270277368 497091933 /nfs/dbraw/zinc/09/19/33/497091933.db2.gz YWBDQJPBPAYTGM-JOCHJYFZSA-N 1 0 364.493 3.270 20 10 FGCDRO COc1c([O-])c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278534995 497146107 /nfs/dbraw/zinc/14/61/07/497146107.db2.gz VYVUEIWKWLHISG-UHFFFAOYSA-N 1 0 371.437 3.195 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)ccc1O ZINC000279017255 497304824 /nfs/dbraw/zinc/30/48/24/497304824.db2.gz UKKLQRNKLJAYBS-NWDGAFQWSA-N 1 0 350.260 3.264 20 10 FGCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000275707945 497409638 /nfs/dbraw/zinc/40/96/38/497409638.db2.gz UBLMRHVQFKQMIH-DENIHFKCSA-N 1 0 373.541 3.072 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000272150321 497549545 /nfs/dbraw/zinc/54/95/45/497549545.db2.gz ZYVCSYGWPVXWPE-OAQYLSRUSA-N 1 0 371.433 3.422 20 10 FGCDRO Cc1cccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1O ZINC000289245577 498075216 /nfs/dbraw/zinc/07/52/16/498075216.db2.gz DXMGSYFWYPMKKA-KRWDZBQOSA-N 1 0 350.256 3.460 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000285435262 498083028 /nfs/dbraw/zinc/08/30/28/498083028.db2.gz YTPMCXBUBNZLLS-HNNXBMFYSA-N 1 0 359.445 3.231 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc([C@H]3CCOC3)no2)C1 ZINC000350564227 498115803 /nfs/dbraw/zinc/11/58/03/498115803.db2.gz GAKCPMAABLJYSU-HNNXBMFYSA-N 1 0 366.465 3.343 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C1(Cc3ccc(F)cc3)CCOCC1)OCO2 ZINC000292830354 498163015 /nfs/dbraw/zinc/16/30/15/498163015.db2.gz ANNSEMOBTMLSAT-UHFFFAOYSA-N 1 0 359.397 3.142 20 10 FGCDRO CS(=O)(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000292852202 498171958 /nfs/dbraw/zinc/17/19/58/498171958.db2.gz UGFVBJRFRLIFNN-UHFFFAOYSA-N 1 0 359.491 3.316 20 10 FGCDRO CC(C)n1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000289691134 498249659 /nfs/dbraw/zinc/24/96/59/498249659.db2.gz KCYBYTSZVVOOCZ-CQSZACIVSA-N 1 0 365.428 3.219 20 10 FGCDRO CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000285992328 498261101 /nfs/dbraw/zinc/26/11/01/498261101.db2.gz HBVOAYVHHUOFPE-FHWLQOOXSA-N 1 0 350.478 3.340 20 10 FGCDRO O=S(=O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1 ZINC000297629062 498518294 /nfs/dbraw/zinc/51/82/94/498518294.db2.gz JGOVIVSVPNHSEA-OAHLLOKOSA-N 1 0 351.855 3.096 20 10 FGCDRO OCC1([C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C2CC2)CCOCC1 ZINC000293891925 498524847 /nfs/dbraw/zinc/52/48/47/498524847.db2.gz DTYFKJUOEZKXRV-NRFANRHFSA-N 1 0 358.526 3.334 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000287447471 498758928 /nfs/dbraw/zinc/75/89/28/498758928.db2.gz UWCOQPFWXMQEPH-NSHDSACASA-N 1 0 354.248 3.101 20 10 FGCDRO COc1ccc([C@H](O)C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000291155829 498820315 /nfs/dbraw/zinc/82/03/15/498820315.db2.gz BSSWRSJDGFPITD-NRFANRHFSA-N 1 0 371.433 3.075 20 10 FGCDRO COC1CCN(c2ccc(C[NH2+][C@@H](CC(N)=O)C3CCCCC3)cc2)CC1 ZINC000294991319 498873312 /nfs/dbraw/zinc/87/33/12/498873312.db2.gz NBJQUIXHVFDTHM-NRFANRHFSA-N 1 0 373.541 3.216 20 10 FGCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000299083444 498961240 /nfs/dbraw/zinc/96/12/40/498961240.db2.gz RQCNUPSMBRDRKA-UHFFFAOYSA-N 1 0 370.497 3.152 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1O ZINC000366690728 499035462 /nfs/dbraw/zinc/03/54/62/499035462.db2.gz QDCFHMGVUWQBFR-JKSUJKDBSA-N 1 0 352.862 3.030 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363913189 499049981 /nfs/dbraw/zinc/04/99/81/499049981.db2.gz GYYJNLQLPUBKJL-FPOVZHCZSA-N 1 0 370.541 3.445 20 10 FGCDRO CN(C(=O)c1ccc(NCc2ccccc2O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000367041204 499138235 /nfs/dbraw/zinc/13/82/35/499138235.db2.gz SJHLOPVHIZJYPU-LJQANCHMSA-N 1 0 353.466 3.171 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Br)ccc1O ZINC000367066360 499142722 /nfs/dbraw/zinc/14/27/22/499142722.db2.gz JBXOTKNBYDFKNV-VBQJREDUSA-N 1 0 367.287 3.253 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c(O)c1 ZINC000369901966 499148278 /nfs/dbraw/zinc/14/82/78/499148278.db2.gz JDCZEOPBWOSEJS-NEPJUHHUSA-N 1 0 354.376 3.268 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000372811487 499178266 /nfs/dbraw/zinc/17/82/66/499178266.db2.gz GCOUJJCFFAUBFN-LJQANCHMSA-N 1 0 358.482 3.082 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000367547719 499211208 /nfs/dbraw/zinc/21/12/08/499211208.db2.gz ZWIJQDJUDFAHQG-KXBFYZLASA-N 1 0 360.479 3.304 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC000370766446 499252676 /nfs/dbraw/zinc/25/26/76/499252676.db2.gz LRZUXHMVGJUQBY-HBGVWJBISA-N 1 0 371.525 3.043 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)C[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000370861334 499263554 /nfs/dbraw/zinc/26/35/54/499263554.db2.gz MIRVPCBVIHTQGO-NRFANRHFSA-N 1 0 367.493 3.213 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1O ZINC000368374237 499290070 /nfs/dbraw/zinc/29/00/70/499290070.db2.gz KDQUINNHLIEPGK-RDJZCZTQSA-N 1 0 356.470 3.358 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000368753788 499328117 /nfs/dbraw/zinc/32/81/17/499328117.db2.gz MCMHZWXEPROYHM-JDFRZJQESA-N 1 0 370.287 3.452 20 10 FGCDRO Cc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c(C)n1-c1ccccn1 ZINC000371517769 499336932 /nfs/dbraw/zinc/33/69/32/499336932.db2.gz FWGRRXDQGQFYLE-UHFFFAOYSA-N 1 0 352.482 3.190 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000368865245 499341189 /nfs/dbraw/zinc/34/11/89/499341189.db2.gz HBLQMTQKPDJFQL-UHFFFAOYSA-N 1 0 369.421 3.344 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc2ccccc2c1O ZINC000371835109 499370269 /nfs/dbraw/zinc/37/02/69/499370269.db2.gz QEUBSMXXABUXNN-HTAPYJJXSA-N 1 0 370.493 3.077 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1O ZINC000369591952 499423668 /nfs/dbraw/zinc/42/36/68/499423668.db2.gz PAOIXIJPZJCNJC-CXAGYDPISA-N 1 0 361.511 3.166 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000373600494 499479125 /nfs/dbraw/zinc/47/91/25/499479125.db2.gz DBDHMHJXZQJQHH-SFHVURJKSA-N 1 0 360.479 3.273 20 10 FGCDRO Nc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000375515504 499527331 /nfs/dbraw/zinc/52/73/31/499527331.db2.gz SGEHPVXLRSCZII-TZIWHRDSSA-N 1 0 351.494 3.010 20 10 FGCDRO CN1CCc2cc(C[NH2+]C3CCN(C(=O)c4cc(Cl)c[nH]4)CC3)ccc21 ZINC000375748352 499551277 /nfs/dbraw/zinc/55/12/77/499551277.db2.gz YIFVHLDCLJJMAD-UHFFFAOYSA-N 1 0 372.900 3.055 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000376061531 499579949 /nfs/dbraw/zinc/57/99/49/499579949.db2.gz IWPVSUKTPDGLQO-ZLENFMNRSA-N 1 0 359.426 3.232 20 10 FGCDRO COCCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435757153 501023593 /nfs/dbraw/zinc/02/35/93/501023593.db2.gz YDEGDDFPHFSANG-UHFFFAOYSA-N 1 0 371.525 3.341 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C)CCO[C@@H]2C)C1 ZINC000436026120 501059057 /nfs/dbraw/zinc/05/90/57/501059057.db2.gz NLMKRHPHSPFJKJ-ZHRRBRCNSA-N 1 0 369.509 3.092 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000436469375 501132320 /nfs/dbraw/zinc/13/23/20/501132320.db2.gz OVNNBDCXFZKWHC-CALCHBBNSA-N 1 0 369.509 3.044 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC2(C)C)C1 ZINC000452470385 501506895 /nfs/dbraw/zinc/50/68/95/501506895.db2.gz SFABDBIQYUVULZ-FQEVSTJZSA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000472239900 502281686 /nfs/dbraw/zinc/28/16/86/502281686.db2.gz MSCBRFXZTZRBNV-FUHWJXTLSA-N 1 0 354.498 3.112 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000472239902 502281958 /nfs/dbraw/zinc/28/19/58/502281958.db2.gz MSCBRFXZTZRBNV-SJLPKXTDSA-N 1 0 354.498 3.112 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(CC[NH+](C)C)C3CC3)ccc21 ZINC000505662213 502962126 /nfs/dbraw/zinc/96/21/26/502962126.db2.gz OSTRRKWJAXVAPG-UHFFFAOYSA-N 1 0 357.498 3.071 20 10 FGCDRO CC(C)(C)c1cccc2c1OCCN2C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592566417 507707392 /nfs/dbraw/zinc/70/73/92/507707392.db2.gz NIAKAIHVNNSPCO-CQSZACIVSA-N 1 0 368.481 3.056 20 10 FGCDRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000737637812 598316027 /nfs/dbraw/zinc/31/60/27/598316027.db2.gz DIVOXMAMTSHFOY-UHFFFAOYSA-N 1 0 366.444 3.286 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116439901 700593551 /nfs/dbraw/zinc/59/35/51/700593551.db2.gz KJUDJZKNYQDPOJ-CXAGYDPISA-N 1 0 351.491 3.127 20 10 FGCDRO CSCC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000123223844 700702044 /nfs/dbraw/zinc/70/20/44/700702044.db2.gz MSTDKMBQSMZKER-QGZVFWFLSA-N 1 0 355.511 3.379 20 10 FGCDRO O=C1/C(=C/c2ccc(-n3ccnc3)cc2)SC(=S)N1Cc1ccon1 ZINC000130346654 700800047 /nfs/dbraw/zinc/80/00/47/700800047.db2.gz ROIWAYKGUHEKKO-DHDCSXOGSA-N 1 0 368.443 3.262 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c1O ZINC000130375719 700800518 /nfs/dbraw/zinc/80/05/18/700800518.db2.gz JCAJMVMWBQJGFL-GXFFZTMASA-N 1 0 370.243 3.358 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(Br)cc1O ZINC000130390806 700801390 /nfs/dbraw/zinc/80/13/90/700801390.db2.gz JGACOEZPCLBUBH-WFASDCNBSA-N 1 0 350.256 3.409 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134038494 704810720 /nfs/dbraw/zinc/81/07/20/704810720.db2.gz WILUKCSXVLVAKW-UHFFFAOYSA-N 1 0 353.304 3.463 20 10 FGCDRO C[NH+](C)Cc1cccc(CNC(=O)NCCCSc2nccs2)c1 ZINC000152335439 704959759 /nfs/dbraw/zinc/95/97/59/704959759.db2.gz XJHQAUHELPEAJS-UHFFFAOYSA-N 1 0 364.540 3.186 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1O ZINC000155474867 705079318 /nfs/dbraw/zinc/07/93/18/705079318.db2.gz XJARECDMBFIIER-UHFFFAOYSA-N 1 0 354.878 3.279 20 10 FGCDRO FC(F)(F)CN1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000163584510 705316697 /nfs/dbraw/zinc/31/66/97/705316697.db2.gz MOFGIHQTIJIRPE-UHFFFAOYSA-N 1 0 373.488 3.356 20 10 FGCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1)CC(F)(F)F ZINC000164449745 705329544 /nfs/dbraw/zinc/32/95/44/705329544.db2.gz RYCNHGOUIBMIJT-AWEZNQCLSA-N 1 0 360.420 3.415 20 10 FGCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000179958822 705722434 /nfs/dbraw/zinc/72/24/34/705722434.db2.gz HSQMUDULJFKOOC-NSHDSACASA-N 1 0 356.260 3.318 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC000186200833 712712126 /nfs/dbraw/zinc/71/21/26/712712126.db2.gz OFDJIJSYTUPFBU-BLLLJJGKSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000187630320 712749586 /nfs/dbraw/zinc/74/95/86/712749586.db2.gz KLBVPALYMOUGFK-UHFFFAOYSA-N 1 0 356.344 3.069 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000189377236 712792827 /nfs/dbraw/zinc/79/28/27/712792827.db2.gz GEIRHYWTHDJQHH-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1n1ccnc1 ZINC000246893570 713632241 /nfs/dbraw/zinc/63/22/41/713632241.db2.gz UDGPHXLTGYGNNT-IUODEOHRSA-N 1 0 350.260 3.434 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000373974992 713889454 /nfs/dbraw/zinc/88/94/54/713889454.db2.gz GERFPRFLGNIKIU-VBHSOAQHSA-N 1 0 355.862 3.213 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)c1O ZINC000374119681 713900613 /nfs/dbraw/zinc/90/06/13/713900613.db2.gz LSJUCCYALWZEOL-ZIAGYGMSSA-N 1 0 356.260 3.307 20 10 FGCDRO CCOc1cccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)c1O ZINC000749926931 722748071 /nfs/dbraw/zinc/74/80/71/722748071.db2.gz QXSOXTDAGSFDLG-INIZCTEOSA-N 1 0 360.841 3.339 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000780892648 724512184 /nfs/dbraw/zinc/51/21/84/724512184.db2.gz JTTLVABFPABKER-UONOGXRCSA-N 1 0 350.459 3.231 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(C)(F)F)cc2F)CC1 ZINC000730194776 722465982 /nfs/dbraw/zinc/46/59/82/722465982.db2.gz PHCKZUGRCQFXQD-UHFFFAOYSA-N 1 0 357.420 3.019 20 10 FGCDRO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000730254430 722466462 /nfs/dbraw/zinc/46/64/62/722466462.db2.gz PTJUZTMAJHOEOZ-OAHLLOKOSA-N 1 0 363.255 3.018 20 10 FGCDRO CC[C@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000730254427 722466469 /nfs/dbraw/zinc/46/64/69/722466469.db2.gz PTJUZTMAJHOEOZ-HNNXBMFYSA-N 1 0 363.255 3.018 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000731450261 722475414 /nfs/dbraw/zinc/47/54/14/722475414.db2.gz WDJOVSUTHNIXEW-QGZVFWFLSA-N 1 0 354.372 3.474 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1F ZINC000733327329 722495742 /nfs/dbraw/zinc/49/57/42/722495742.db2.gz SIZQLOBPZSZBGK-QGZVFWFLSA-N 1 0 356.363 3.431 20 10 FGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000734651880 722509028 /nfs/dbraw/zinc/50/90/28/722509028.db2.gz DEPNYSVBOZOCEU-QGZVFWFLSA-N 1 0 360.527 3.225 20 10 FGCDRO C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000740866796 722538682 /nfs/dbraw/zinc/53/86/82/722538682.db2.gz HHLCRNMVPATDSG-CYBMUJFWSA-N 1 0 359.447 3.158 20 10 FGCDRO CC1(OCC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000746301655 722597724 /nfs/dbraw/zinc/59/77/24/722597724.db2.gz OMRZDUXXDQYWOA-INIZCTEOSA-N 1 0 366.889 3.085 20 10 FGCDRO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(Br)cc1O ZINC000756557907 722966807 /nfs/dbraw/zinc/96/68/07/722966807.db2.gz XUKRFRKZYKENSM-GFCCVEGCSA-N 1 0 355.276 3.208 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)ccc1O ZINC000756583867 722967182 /nfs/dbraw/zinc/96/71/82/722967182.db2.gz RIDIQDFNFLTGED-OUCADQQQSA-N 1 0 369.303 3.452 20 10 FGCDRO COc1ccc(C[N@H+](C)Cc2cc(Br)cc(OC)c2O)cn1 ZINC000757917264 722981232 /nfs/dbraw/zinc/98/12/32/722981232.db2.gz AALRMWIKUBIDPK-UHFFFAOYSA-N 1 0 367.243 3.199 20 10 FGCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000759601305 723011200 /nfs/dbraw/zinc/01/12/00/723011200.db2.gz HFESDBGAKJATPA-UONOGXRCSA-N 1 0 356.561 3.140 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1O ZINC000761198777 723132358 /nfs/dbraw/zinc/13/23/58/723132358.db2.gz UAYYMURQWDWFRH-CYBMUJFWSA-N 1 0 353.821 3.134 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c1O ZINC000790483899 723145406 /nfs/dbraw/zinc/14/54/06/723145406.db2.gz AFVXSIPWAMNUQE-OAHLLOKOSA-N 1 0 371.319 3.373 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCOC[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792892425 723378136 /nfs/dbraw/zinc/37/81/36/723378136.db2.gz CWJHTXCCDPPRQU-MRXNPFEDSA-N 1 0 360.420 3.447 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000792947490 723385779 /nfs/dbraw/zinc/38/57/79/723385779.db2.gz ZGACQVFXUQOFLM-LBPRGKRZSA-N 1 0 369.353 3.498 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000793206089 723410933 /nfs/dbraw/zinc/41/09/33/723410933.db2.gz AHIQJIIJPUUCCT-UHFFFAOYSA-N 1 0 351.292 3.282 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000793610809 723454886 /nfs/dbraw/zinc/45/48/86/723454886.db2.gz YHOPZXWNEQAJOC-BBRMVZONSA-N 1 0 362.436 3.019 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1F ZINC000765287616 723502357 /nfs/dbraw/zinc/50/23/57/723502357.db2.gz WNOAFXLEPPCADI-KRWDZBQOSA-N 1 0 367.262 3.477 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCOCC1 ZINC000765285891 723502393 /nfs/dbraw/zinc/50/23/93/723502393.db2.gz JISXUJSALDVERE-IBGZPJMESA-N 1 0 350.478 3.082 20 10 FGCDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765982131 723549951 /nfs/dbraw/zinc/54/99/51/723549951.db2.gz ZUKJYWOXSSXUFJ-QGZVFWFLSA-N 1 0 358.507 3.081 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000766222410 723562572 /nfs/dbraw/zinc/56/25/72/723562572.db2.gz GTLRBYAQMMMGJO-UHFFFAOYSA-N 1 0 360.145 3.161 20 10 FGCDRO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274084 723565748 /nfs/dbraw/zinc/56/57/48/723565748.db2.gz SUMGHDTXSSNMHK-CVEARBPZSA-N 1 0 351.922 3.312 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1cc(F)c(F)c(F)c1 ZINC000767712170 723630541 /nfs/dbraw/zinc/63/05/41/723630541.db2.gz ORIMRULUNSVYBR-LLVKDONJSA-N 1 0 359.775 3.404 20 10 FGCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796324194 723632779 /nfs/dbraw/zinc/63/27/79/723632779.db2.gz QJYWYXWHNYNJMA-GKVSMKOHSA-N 1 0 356.535 3.496 20 10 FGCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796324198 723632816 /nfs/dbraw/zinc/63/28/16/723632816.db2.gz QJYWYXWHNYNJMA-SSOJOUAXSA-N 1 0 356.535 3.496 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1F ZINC000796515258 723641279 /nfs/dbraw/zinc/64/12/79/723641279.db2.gz RFMJOFAHRBFEER-UHFFFAOYSA-N 1 0 356.507 3.119 20 10 FGCDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440954 723657798 /nfs/dbraw/zinc/65/77/98/723657798.db2.gz BMGPLOLEUHBBRQ-SFHVURJKSA-N 1 0 363.841 3.372 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769196428 723679285 /nfs/dbraw/zinc/67/92/85/723679285.db2.gz WCHALUJBNQDXOU-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO Cc1ccncc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771064701 723727064 /nfs/dbraw/zinc/72/70/64/723727064.db2.gz KNQQJIMFWBAIAJ-INIZCTEOSA-N 1 0 359.857 3.143 20 10 FGCDRO C[C@@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773160850 723777908 /nfs/dbraw/zinc/77/79/08/723777908.db2.gz DFXCEFPDTAQWRH-RDTXWAMCSA-N 1 0 360.527 3.477 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775413555 723989013 /nfs/dbraw/zinc/98/90/13/723989013.db2.gz GGYJLXYMVBHABQ-GOEBONIOSA-N 1 0 363.255 3.422 20 10 FGCDRO CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000775500383 723996523 /nfs/dbraw/zinc/99/65/23/723996523.db2.gz JEDLBPFJMXZRFQ-DLBZAZTESA-N 1 0 367.921 3.029 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1F ZINC000775620145 724011765 /nfs/dbraw/zinc/01/17/65/724011765.db2.gz BKAFLIZSDJVIGZ-HZPDHXFCSA-N 1 0 351.466 3.427 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000775739070 724035928 /nfs/dbraw/zinc/03/59/28/724035928.db2.gz CBAMVMSVSBPKEY-ZFWWWQNUSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1O ZINC000776257376 724124435 /nfs/dbraw/zinc/12/44/35/724124435.db2.gz MHICMPGBANTPBJ-LBPRGKRZSA-N 1 0 372.303 3.442 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1 ZINC000776692814 724171210 /nfs/dbraw/zinc/17/12/10/724171210.db2.gz DNOZLUYXADNLIW-KGLIPLIRSA-N 1 0 350.459 3.231 20 10 FGCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800493659 724202927 /nfs/dbraw/zinc/20/29/27/724202927.db2.gz PFYGRTIFXHGFHM-KBPBESRZSA-N 1 0 358.935 3.099 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777438058 724225707 /nfs/dbraw/zinc/22/57/07/724225707.db2.gz KTOUTMOYFBVCQI-KRWDZBQOSA-N 1 0 366.230 3.387 20 10 FGCDRO Cc1cccc(NCC[NH2+]Cc2cc(Br)cc(C)c2O)n1 ZINC000777483273 724230505 /nfs/dbraw/zinc/23/05/05/724230505.db2.gz LODJTUIFAOOVCX-UHFFFAOYSA-N 1 0 350.260 3.368 20 10 FGCDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000800899827 724245156 /nfs/dbraw/zinc/24/51/56/724245156.db2.gz YQBZGORMINETPV-INIZCTEOSA-N 1 0 358.869 3.369 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)c2c1c(F)ccc2O ZINC000786964618 725010478 /nfs/dbraw/zinc/01/04/78/725010478.db2.gz ZJHJYYSXWUVFTG-BXKDBHETSA-N 1 0 355.456 3.334 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cccc(Cl)c1[O-] ZINC000806155940 725118580 /nfs/dbraw/zinc/11/85/80/725118580.db2.gz WIMDXUOXELYVLL-IRXDYDNUSA-N 1 0 369.937 3.179 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)ccc1O ZINC000806179518 725119851 /nfs/dbraw/zinc/11/98/51/725119851.db2.gz SOHSGZYHZRUNDN-CZUORRHYSA-N 1 0 365.271 3.367 20 10 FGCDRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809690099 725258951 /nfs/dbraw/zinc/25/89/51/725258951.db2.gz HDSZXHYTEUUBIZ-LLVKDONJSA-N 1 0 364.795 3.326 20 10 FGCDRO CCCN(CC[NH+]1CCCC1)Cc1cc(Br)cc(OC)c1O ZINC000809700562 725260419 /nfs/dbraw/zinc/26/04/19/725260419.db2.gz JDFORVGMBCCCQV-UHFFFAOYSA-N 1 0 371.319 3.471 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1 ZINC000809721072 725262640 /nfs/dbraw/zinc/26/26/40/725262640.db2.gz SEACIVILCXNRHK-INIZCTEOSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@H](O)c2ccccc2)c1O ZINC000809748816 725264614 /nfs/dbraw/zinc/26/46/14/725264614.db2.gz YSQQBEZYKLYZOM-HNNXBMFYSA-N 1 0 366.255 3.377 20 10 FGCDRO O=S1(=O)CC(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815619442 727086951 /nfs/dbraw/zinc/08/69/51/727086951.db2.gz NKKBTPXPDKDSDL-IBGZPJMESA-N 1 0 359.491 3.090 20 10 FGCDRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(Cl)c(F)cc3O)nc2)C1 ZINC000816558665 727175753 /nfs/dbraw/zinc/17/57/53/727175753.db2.gz IOUAZBBAILLDKR-CQSZACIVSA-N 1 0 364.852 3.332 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000816642760 727184375 /nfs/dbraw/zinc/18/43/75/727184375.db2.gz KCKMNEOCMBZFFQ-QGZVFWFLSA-N 1 0 369.303 3.081 20 10 FGCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[C@H]1CCS(=O)(=O)C1 ZINC000817297752 727238007 /nfs/dbraw/zinc/23/80/07/727238007.db2.gz AFTLRVBLTHUKNG-DOTOQJQBSA-N 1 0 351.512 3.155 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccc(Cl)cc1 ZINC000818953857 727329822 /nfs/dbraw/zinc/32/98/22/727329822.db2.gz NVNDJLLEFHZQNH-IBGZPJMESA-N 1 0 360.885 3.470 20 10 FGCDRO COc1cc(NC(=O)C[NH2+]Cc2c(O)cc(C)cc2Cl)cc(OC)c1 ZINC000822489349 729180846 /nfs/dbraw/zinc/18/08/46/729180846.db2.gz AWWJYXKDCNVQPY-UHFFFAOYSA-N 1 0 364.829 3.100 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1O ZINC000824501922 729343680 /nfs/dbraw/zinc/34/36/80/729343680.db2.gz VLVIIBWBJFZVGZ-MRXNPFEDSA-N 1 0 368.246 3.295 20 10 FGCDRO CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccccc1O ZINC000824544025 729346553 /nfs/dbraw/zinc/34/65/53/729346553.db2.gz SHNYRRZXHADTMK-AWEZNQCLSA-N 1 0 351.244 3.057 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(C(F)(F)F)cc1O ZINC000824565417 729347697 /nfs/dbraw/zinc/34/76/97/729347697.db2.gz UISVHVXZKQRTPG-HOCLYGCPSA-N 1 0 360.420 3.299 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824635274 729351913 /nfs/dbraw/zinc/35/19/13/729351913.db2.gz FZPFJLBHKGXOES-LPHOPBHVSA-N 1 0 365.832 3.354 20 10 FGCDRO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824913904 729364706 /nfs/dbraw/zinc/36/47/06/729364706.db2.gz IHQQYKJNPYCTDK-LJQANCHMSA-N 1 0 359.491 3.458 20 10 FGCDRO COc1cccc(CNc2cc(N(C)C)c(Br)c[nH+]2)c1O ZINC000825104316 729370979 /nfs/dbraw/zinc/37/09/79/729370979.db2.gz TXHHKHTZOVYBSM-UHFFFAOYSA-N 1 0 352.232 3.236 20 10 FGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000825190097 729374164 /nfs/dbraw/zinc/37/41/64/729374164.db2.gz FCCPMYTVSOXKQZ-CRAIPNDOSA-N 1 0 352.425 3.414 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263967 729376021 /nfs/dbraw/zinc/37/60/21/729376021.db2.gz XIGKAGLIQUIAAF-ZIAGYGMSSA-N 1 0 350.459 3.184 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1Cl ZINC000825319817 729378714 /nfs/dbraw/zinc/37/87/14/729378714.db2.gz CVDKTZCVWUJPAJ-UHFFFAOYSA-N 1 0 360.841 3.259 20 10 FGCDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000825375624 729380797 /nfs/dbraw/zinc/38/07/97/729380797.db2.gz OXQZZFLRYCSSEI-UHFFFAOYSA-N 1 0 357.292 3.185 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1O ZINC000827244468 729427508 /nfs/dbraw/zinc/42/75/08/729427508.db2.gz XLUXZMBSKWKGDD-OCCSQVGLSA-N 1 0 362.214 3.367 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000827924430 729437251 /nfs/dbraw/zinc/43/72/51/729437251.db2.gz TVSIDDXDVBMPGB-HNNXBMFYSA-N 1 0 352.862 3.077 20 10 FGCDRO C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266266 729700783 /nfs/dbraw/zinc/70/07/83/729700783.db2.gz DLZMNCWWRFLFBL-KUHUBIRLSA-N 1 0 359.901 3.401 20 10 FGCDRO CCOc1cc(Cl)ccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267363 729701059 /nfs/dbraw/zinc/70/10/59/729701059.db2.gz RDJHAGVKNAZCMY-KRWDZBQOSA-N 1 0 361.873 3.235 20 10 FGCDRO Cc1nc(C(C)(C)C)sc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280750 729701892 /nfs/dbraw/zinc/70/18/92/729701892.db2.gz QQMAVSDBKKHRAX-HNNXBMFYSA-N 1 0 360.527 3.245 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(Cl)ccc1O ZINC000834828219 729837461 /nfs/dbraw/zinc/83/74/61/729837461.db2.gz QPLMBLNEQMTVLY-VXGBXAGGSA-N 1 0 351.855 3.267 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c(C)n1-c1cccc(Cl)c1 ZINC000834832579 729837789 /nfs/dbraw/zinc/83/77/89/729837789.db2.gz XKRQIODXJWYHIQ-HNNXBMFYSA-N 1 0 355.816 3.460 20 10 FGCDRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(Cl)ccc1O ZINC000834840541 729838423 /nfs/dbraw/zinc/83/84/23/729838423.db2.gz KDAIUUKIBMIYBY-JTQLQIEISA-N 1 0 371.662 3.321 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000835043483 729852474 /nfs/dbraw/zinc/85/24/74/729852474.db2.gz VIMIJEMYQHKMKA-PLNGDYQASA-N 1 0 358.507 3.100 20 10 FGCDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(OC)c1O ZINC000835075155 729856723 /nfs/dbraw/zinc/85/67/23/729856723.db2.gz POTHXWACIPIGSM-UHFFFAOYSA-N 1 0 367.877 3.053 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000837306319 730016144 /nfs/dbraw/zinc/01/61/44/730016144.db2.gz CMNYOMDIWIPVGU-JKSUJKDBSA-N 1 0 357.885 3.429 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000840931694 730193022 /nfs/dbraw/zinc/19/30/22/730193022.db2.gz VEPPWGDVWNMQFP-UHFFFAOYSA-N 1 0 360.523 3.156 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCn2cc(Br)ccc2=O)c(Cl)c1 ZINC000840950130 730196042 /nfs/dbraw/zinc/19/60/42/730196042.db2.gz FLKKYWRFCHOAJL-UHFFFAOYSA-N 1 0 371.662 3.068 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000840967238 730198712 /nfs/dbraw/zinc/19/87/12/730198712.db2.gz YMSNHRWEBNPDJT-UHFFFAOYSA-N 1 0 364.536 3.051 20 10 FGCDRO Brc1cc(CNC[C@@H]2CCC[NH2+]2)ccc1N1CCCCC1 ZINC000841035259 730205043 /nfs/dbraw/zinc/20/50/43/730205043.db2.gz JLCFESFDESRXEY-HNNXBMFYSA-N 1 0 352.320 3.281 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc(O)c2Br)cc1 ZINC000841042033 730205325 /nfs/dbraw/zinc/20/53/25/730205325.db2.gz JMXLCUUSNQPOGV-HNNXBMFYSA-N 1 0 364.287 3.010 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(Br)ccc2F)cc1 ZINC000841041257 730205415 /nfs/dbraw/zinc/20/54/15/730205415.db2.gz ZAAWZSHJKRAKTI-KRWDZBQOSA-N 1 0 366.278 3.444 20 10 FGCDRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841896872 730284004 /nfs/dbraw/zinc/28/40/04/730284004.db2.gz OCDORWGAWISVEL-UONOGXRCSA-N 1 0 352.910 3.113 20 10 FGCDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841897304 730284269 /nfs/dbraw/zinc/28/42/69/730284269.db2.gz WSXYFIQWWPMSSK-ZQIUZPCESA-N 1 0 364.921 3.207 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000841952423 730285499 /nfs/dbraw/zinc/28/54/99/730285499.db2.gz TXCDEBHVKAUQSE-AWEZNQCLSA-N 1 0 372.307 3.060 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000843054519 730574745 /nfs/dbraw/zinc/57/47/45/730574745.db2.gz PRDSLPJBBASREM-UHFFFAOYSA-N 1 0 353.304 3.427 20 10 FGCDRO C[C@H](C(=O)NCc1ccccc1Cl)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350217 730609581 /nfs/dbraw/zinc/60/95/81/730609581.db2.gz PODCPEUOFSDNBK-CQSZACIVSA-N 1 0 357.885 3.256 20 10 FGCDRO CC(C)([NH3+])c1noc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1 ZINC000843357821 730610262 /nfs/dbraw/zinc/61/02/62/730610262.db2.gz VRTCNUGRNXSXPU-UHFFFAOYSA-N 1 0 356.348 3.115 20 10 FGCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000845926469 730909921 /nfs/dbraw/zinc/90/99/21/730909921.db2.gz QWPVQBSGJPPYDU-INIZCTEOSA-N 1 0 352.494 3.328 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000845971133 730913761 /nfs/dbraw/zinc/91/37/61/730913761.db2.gz HITRNZCEBAMIOY-KGLIPLIRSA-N 1 0 363.479 3.259 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000846143222 730931712 /nfs/dbraw/zinc/93/17/12/730931712.db2.gz YHZUNJQHRPWDGO-CHWSQXEVSA-N 1 0 364.467 3.184 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846205696 730936185 /nfs/dbraw/zinc/93/61/85/730936185.db2.gz KBQOYPJFHSAISW-NWDGAFQWSA-N 1 0 367.287 3.125 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1O ZINC000848527661 731175536 /nfs/dbraw/zinc/17/55/36/731175536.db2.gz FEGPQXRRCYKWAT-WDMOLILDSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1O ZINC000848532338 731176456 /nfs/dbraw/zinc/17/64/56/731176456.db2.gz FWBLPAWPUDSHSP-JRPNMDOOSA-N 1 0 369.303 3.297 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c1O ZINC000848533135 731176951 /nfs/dbraw/zinc/17/69/51/731176951.db2.gz OGZSOHTYTBOBKQ-GVXVVHGQSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000848535243 731177317 /nfs/dbraw/zinc/17/73/17/731177317.db2.gz FGMULXNBQQJJAV-SKDRFNHKSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000848535795 731177674 /nfs/dbraw/zinc/17/76/74/731177674.db2.gz GWWWOMVRSABORY-IONNQARKSA-N 1 0 372.181 3.127 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2nnc(C)s2)c1O ZINC000848550443 731179905 /nfs/dbraw/zinc/17/99/05/731179905.db2.gz MQVKTIBVWDLVPV-QMMMGPOBSA-N 1 0 372.288 3.217 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nccnc2C)c1O ZINC000848552063 731180217 /nfs/dbraw/zinc/18/02/17/731180217.db2.gz ZLJXLSCOIJKFAL-SNVBAGLBSA-N 1 0 366.259 3.155 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)c1O ZINC000848553297 731180628 /nfs/dbraw/zinc/18/06/28/731180628.db2.gz LQSDMTDCDGYWFH-LOWVWBTDSA-N 1 0 358.276 3.365 20 10 FGCDRO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000850345284 731345092 /nfs/dbraw/zinc/34/50/92/731345092.db2.gz RKNGXXLTRYVCJM-UHFFFAOYSA-N 1 0 359.491 3.364 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000850502822 731366084 /nfs/dbraw/zinc/36/60/84/731366084.db2.gz RHKVRDFYLPOTLD-GMZLATJGSA-N 1 0 372.303 3.371 20 10 FGCDRO Cc1cncc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000850552157 731372402 /nfs/dbraw/zinc/37/24/02/731372402.db2.gz XJOYHLWUJQISMB-LBPRGKRZSA-N 1 0 350.260 3.455 20 10 FGCDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850557122 731372825 /nfs/dbraw/zinc/37/28/25/731372825.db2.gz URLUBCNQBABFPW-HPUBIQBYSA-N 1 0 352.906 3.378 20 10 FGCDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)s1 ZINC000852773833 731633893 /nfs/dbraw/zinc/63/38/93/731633893.db2.gz GWFHTCXMLMLKIK-OAHLLOKOSA-N 1 0 359.495 3.375 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000852792279 731635957 /nfs/dbraw/zinc/63/59/57/731635957.db2.gz UXDDBAZZBXRBME-BZUAXINKSA-N 1 0 357.420 3.237 20 10 FGCDRO COc1cccc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1OC ZINC000858100554 732180507 /nfs/dbraw/zinc/18/05/07/732180507.db2.gz JTYMGBCMLHFLNE-UHFFFAOYSA-N 1 0 350.409 3.380 20 10 FGCDRO CCC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000862536005 732845491 /nfs/dbraw/zinc/84/54/91/732845491.db2.gz CZXLOSQIRMEWOK-UHFFFAOYSA-N 1 0 368.905 3.131 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863551467 732976138 /nfs/dbraw/zinc/97/61/38/732976138.db2.gz FLCQUCZIPGQRHQ-SMDDNHRTSA-N 1 0 364.795 3.207 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863645480 732990223 /nfs/dbraw/zinc/99/02/23/732990223.db2.gz INOGEVDFLVHJCU-JQWIXIFHSA-N 1 0 352.784 3.013 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 ZINC000866517154 733360098 /nfs/dbraw/zinc/36/00/98/733360098.db2.gz JEHTVLGIMJWINA-ZQIUZPCESA-N 1 0 361.463 3.056 20 10 FGCDRO Cc1ccc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000876642373 736125408 /nfs/dbraw/zinc/12/54/08/736125408.db2.gz YOOXBKQQOKRAGZ-UHFFFAOYSA-N 1 0 363.479 3.005 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(CCO)(CCO)CC2)cc1F ZINC000877692354 736706490 /nfs/dbraw/zinc/70/64/90/736706490.db2.gz YUPSLYKFTAUDSK-UHFFFAOYSA-N 1 0 352.494 3.019 20 10 FGCDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000877812950 736726483 /nfs/dbraw/zinc/72/64/83/736726483.db2.gz GVSDYEYLEJXHRS-INIZCTEOSA-N 1 0 361.486 3.417 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(Br)ccc1O ZINC000883276600 737545016 /nfs/dbraw/zinc/54/50/16/737545016.db2.gz NCZNIWVAOLFRLT-WCQYABFASA-N 1 0 354.244 3.250 20 10 FGCDRO CC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891256480 739887285 /nfs/dbraw/zinc/88/72/85/739887285.db2.gz YSELTLSRKIKKID-INIZCTEOSA-N 1 0 359.495 3.049 20 10 FGCDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+](C2CCCC2)CC1 ZINC000893437100 742154374 /nfs/dbraw/zinc/15/43/74/742154374.db2.gz OXRHXMSQFALXQI-UHFFFAOYSA-N 1 0 351.878 3.252 20 10 FGCDRO C[C@H](NC(=O)NCc1cccc(Cl)c1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894107769 742240084 /nfs/dbraw/zinc/24/00/84/742240084.db2.gz QUGFUWJQVQOBOJ-ZFWWWQNUSA-N 1 0 365.905 3.498 20 10 FGCDRO COc1ccc(CN(CC[NH+](C)C)Cc2cccs2)c(O)c1OC ZINC000894466490 742286713 /nfs/dbraw/zinc/28/67/13/742286713.db2.gz BJJXLPTUZUZUMC-UHFFFAOYSA-N 1 0 350.484 3.035 20 10 FGCDRO COc1cc(Br)cc(CN2CCC(C)([NH+]3CCC3)CC2)c1O ZINC000895669849 742437853 /nfs/dbraw/zinc/43/78/53/742437853.db2.gz DEALZMTUSGSIGT-UHFFFAOYSA-N 1 0 369.303 3.224 20 10 FGCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000895714577 742445986 /nfs/dbraw/zinc/44/59/86/742445986.db2.gz VFKYHARFYUHWIY-IBSYWUHOSA-N 1 0 355.356 3.479 20 10 FGCDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000903064496 743801232 /nfs/dbraw/zinc/80/12/32/743801232.db2.gz MWGSYAGLBHCQJO-IINYFYTJSA-N 1 0 353.264 3.331 20 10 FGCDRO CC[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000903155792 743813869 /nfs/dbraw/zinc/81/38/69/743813869.db2.gz IAAPDMVUXISHRF-XUJQIHCRSA-N 1 0 352.544 3.397 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(Br)cc1O ZINC000903391275 743843750 /nfs/dbraw/zinc/84/37/50/743843750.db2.gz XFPDKTJSFHSEBV-NHYWBVRUSA-N 1 0 356.260 3.143 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c(O)c1C ZINC000903424656 743849154 /nfs/dbraw/zinc/84/91/54/743849154.db2.gz ZYSJZUDSBPBTNQ-OAHLLOKOSA-N 1 0 362.495 3.256 20 10 FGCDRO Cc1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000917462176 758224214 /nfs/dbraw/zinc/22/42/14/758224214.db2.gz BCGIMMCLKZCWAU-HNNXBMFYSA-N 1 0 353.528 3.255 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000922896722 759024266 /nfs/dbraw/zinc/02/42/66/759024266.db2.gz JKQQGVCHPWJMQS-MLGOLLRUSA-N 1 0 370.287 3.458 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cccc3c2OCC3)c1O ZINC000922945437 759034469 /nfs/dbraw/zinc/03/44/69/759034469.db2.gz XGRGFKBBHPAWIC-UHFFFAOYSA-N 1 0 364.239 3.388 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000926910882 759846185 /nfs/dbraw/zinc/84/61/85/759846185.db2.gz WYYDEZPWYOFIJX-ZDUSSCGKSA-N 1 0 351.443 3.218 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCOC2CCOCC2)c1O ZINC000927080823 759887430 /nfs/dbraw/zinc/88/74/30/759887430.db2.gz WYAACLKPKHPHKR-LBPRGKRZSA-N 1 0 358.276 3.309 20 10 FGCDRO CC[C@@H]([NH2+]CCOC1CCOCC1)c1cc(Br)ccc1O ZINC000927079701 759887624 /nfs/dbraw/zinc/88/76/24/759887624.db2.gz OHWSTOGDIGYNMP-OAHLLOKOSA-N 1 0 358.276 3.391 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000779052501 724384698 /nfs/dbraw/zinc/38/46/98/724384698.db2.gz RESXHTKHXIZHQV-LRDDRELGSA-N 1 0 372.303 3.291 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)CC(=O)Nc3ccccc3)CC2)cc1 ZINC000072801455 494253472 /nfs/dbraw/zinc/25/34/72/494253472.db2.gz SQIVGNQHYOBPLL-UHFFFAOYSA-N 1 0 353.466 3.235 20 10 FGCDRO CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121304922 494691503 /nfs/dbraw/zinc/69/15/03/494691503.db2.gz KFGRSTVPKKHKPS-UHFFFAOYSA-N 1 0 353.466 3.114 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000108444228 494709072 /nfs/dbraw/zinc/70/90/72/494709072.db2.gz PECWUUICTDNYCG-UHFFFAOYSA-N 1 0 370.541 3.349 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000092145354 494799484 /nfs/dbraw/zinc/79/94/84/494799484.db2.gz PRRUTVMMOUKTIQ-UHFFFAOYSA-N 1 0 360.498 3.261 20 10 FGCDRO CN(C(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000134962141 495231388 /nfs/dbraw/zinc/23/13/88/495231388.db2.gz BWPORXPAZAZYGB-UHFFFAOYSA-N 1 0 367.493 3.008 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000129942144 495317482 /nfs/dbraw/zinc/31/74/82/495317482.db2.gz SBPUODRCKLKPRN-LJQANCHMSA-N 1 0 358.530 3.016 20 10 FGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])CN1CC[NH+](C)CC1 ZINC000185344534 495540149 /nfs/dbraw/zinc/54/01/49/495540149.db2.gz QQASHFSVYRCMAL-STQMWFEESA-N 1 0 360.329 3.233 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000185654882 495664784 /nfs/dbraw/zinc/66/47/84/495664784.db2.gz GSMOEYPODWAOSR-CQSZACIVSA-N 1 0 356.470 3.127 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741586 495713531 /nfs/dbraw/zinc/71/35/31/495713531.db2.gz JBSCAPRFYLZTBJ-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1OC ZINC000159786257 495809012 /nfs/dbraw/zinc/80/90/12/495809012.db2.gz SUSSZPMSYDMVDH-OAQYLSRUSA-N 1 0 357.450 3.355 20 10 FGCDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2)ncn1 ZINC000186023667 495824971 /nfs/dbraw/zinc/82/49/71/495824971.db2.gz WIUWQDGQJCSOLC-GOEBONIOSA-N 1 0 356.470 3.073 20 10 FGCDRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)ccc1O ZINC000186073942 495846297 /nfs/dbraw/zinc/84/62/97/495846297.db2.gz QCBDHMLVWXLMRV-GFCCVEGCSA-N 1 0 358.276 3.391 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190824 495890268 /nfs/dbraw/zinc/89/02/68/495890268.db2.gz ASSASIBSGQDZBR-NVXWUHKLSA-N 1 0 354.450 3.100 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000183428529 495979024 /nfs/dbraw/zinc/97/90/24/495979024.db2.gz BFIDACRQIXTPOT-CABCVRRESA-N 1 0 354.450 3.461 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000180594911 496060666 /nfs/dbraw/zinc/06/06/66/496060666.db2.gz JGUIRQMBAFUWST-MNDMWVCDSA-N 1 0 356.422 3.047 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180678024 496100877 /nfs/dbraw/zinc/10/08/77/496100877.db2.gz YLHFNFQYLISCGW-SHZVTRLKSA-N 1 0 363.479 3.340 20 10 FGCDRO COc1cccc(C[NH2+]CCCc2nnc(SC)n2CC(C)C)c1O ZINC000177558883 496111360 /nfs/dbraw/zinc/11/13/60/496111360.db2.gz GMFQMLWOERGCCW-UHFFFAOYSA-N 1 0 364.515 3.093 20 10 FGCDRO C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180848262 496169417 /nfs/dbraw/zinc/16/94/17/496169417.db2.gz DLOKMMJPZIAAPW-MXFAVLBMSA-N 1 0 366.461 3.280 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161424266 496173364 /nfs/dbraw/zinc/17/33/64/496173364.db2.gz OALYALJWXMIWFH-HUUCEWRRSA-N 1 0 361.511 3.073 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000178209155 496371245 /nfs/dbraw/zinc/37/12/45/496371245.db2.gz REKPXOWTOAIGNR-HNNXBMFYSA-N 1 0 372.440 3.284 20 10 FGCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000181730291 496521575 /nfs/dbraw/zinc/52/15/75/496521575.db2.gz ZZQFFNIHCHIOIP-UHFFFAOYSA-N 1 0 368.477 3.033 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000163703398 496548110 /nfs/dbraw/zinc/54/81/10/496548110.db2.gz YXYXVYMHOKHQTO-SFHVURJKSA-N 1 0 353.510 3.436 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185079981 496650210 /nfs/dbraw/zinc/65/02/10/496650210.db2.gz YLAYDKWOGVZSBA-UHFFFAOYSA-N 1 0 372.488 3.193 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000185131762 496674327 /nfs/dbraw/zinc/67/43/27/496674327.db2.gz HTOZGTLCEYBKIN-VBKZILBWSA-N 1 0 370.449 3.369 20 10 FGCDRO Cc1ccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(O)c1O ZINC000182310234 496729163 /nfs/dbraw/zinc/72/91/63/496729163.db2.gz ZXTYQDSLEXFLTQ-UHFFFAOYSA-N 1 0 368.477 3.390 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)ccc1OC ZINC000277633228 496836378 /nfs/dbraw/zinc/83/63/78/496836378.db2.gz CJOOZIRBWWWRBY-LJQANCHMSA-N 1 0 372.513 3.032 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000195320402 496888108 /nfs/dbraw/zinc/88/81/08/496888108.db2.gz CRAXSZWTWAWRJH-UHFFFAOYSA-N 1 0 373.541 3.135 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)n1-c1ccccn1 ZINC000264559609 496929398 /nfs/dbraw/zinc/92/93/98/496929398.db2.gz FJTGEMWKOGKDML-GOSISDBHSA-N 1 0 352.482 3.190 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c(O)c1C ZINC000274331105 497072386 /nfs/dbraw/zinc/07/23/86/497072386.db2.gz ZYCIRWHIAXCKNE-OAHLLOKOSA-N 1 0 359.445 3.231 20 10 FGCDRO O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248713391 497085160 /nfs/dbraw/zinc/08/51/60/497085160.db2.gz DHZNQJXGUNIKLC-IEBWSBKVSA-N 1 0 366.461 3.225 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1F ZINC000270283998 497092555 /nfs/dbraw/zinc/09/25/55/497092555.db2.gz NGIGACPPEXSZGW-GOSISDBHSA-N 1 0 355.457 3.030 20 10 FGCDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000274760867 497158863 /nfs/dbraw/zinc/15/88/63/497158863.db2.gz GSDIFSQXLJOYBU-UHFFFAOYSA-N 1 0 358.457 3.180 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1O ZINC000271314008 497317739 /nfs/dbraw/zinc/31/77/39/497317739.db2.gz RXKPSRRIAYAKIN-HNNXBMFYSA-N 1 0 366.255 3.377 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271536675 497376291 /nfs/dbraw/zinc/37/62/91/497376291.db2.gz XTPMUZHZYOJCHJ-IFXJQAMLSA-N 1 0 362.420 3.186 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000266693002 497400043 /nfs/dbraw/zinc/40/00/43/497400043.db2.gz UUFYOKBPILDIEZ-SFHVURJKSA-N 1 0 358.530 3.157 20 10 FGCDRO CC(=O)NC1CCC([NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC000271829831 497463302 /nfs/dbraw/zinc/46/33/02/497463302.db2.gz DTJBRFYAGDKZFI-UHFFFAOYSA-N 1 0 355.276 3.000 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)ccc21 ZINC000277116574 497746260 /nfs/dbraw/zinc/74/62/60/497746260.db2.gz FBQLTQXGLCRYRJ-LJQANCHMSA-N 1 0 371.525 3.461 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000280660293 497847554 /nfs/dbraw/zinc/84/75/54/497847554.db2.gz SVAKSQUBTUWTCL-UHFFFAOYSA-N 1 0 368.275 3.320 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(O)c1 ZINC000284856002 497923147 /nfs/dbraw/zinc/92/31/47/497923147.db2.gz AHJJHRKAGFILCS-OAHLLOKOSA-N 1 0 368.543 3.252 20 10 FGCDRO O=C1CCCC(=O)N1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000364423491 497949861 /nfs/dbraw/zinc/94/98/61/497949861.db2.gz XEARHICJHFOTDW-UHFFFAOYSA-N 1 0 352.434 3.049 20 10 FGCDRO OC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000289591243 498207372 /nfs/dbraw/zinc/20/73/72/498207372.db2.gz KJZVQRLGQQMHCP-ZYHUDNBSSA-N 1 0 368.193 3.147 20 10 FGCDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000293594315 498423104 /nfs/dbraw/zinc/42/31/04/498423104.db2.gz FQLWLHNJODOTRP-UHFFFAOYSA-N 1 0 364.555 3.370 20 10 FGCDRO CCOC(=O)[C@H](F)C1CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000293987653 498554531 /nfs/dbraw/zinc/55/45/31/498554531.db2.gz RTQMWLPPABHSCQ-HXUWFJFHSA-N 1 0 373.424 3.304 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282550475 498554943 /nfs/dbraw/zinc/55/49/43/498554943.db2.gz XDIHYMUQKNPVOB-GOEBONIOSA-N 1 0 355.438 3.358 20 10 FGCDRO Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1O ZINC000366305169 498866147 /nfs/dbraw/zinc/86/61/47/498866147.db2.gz PVLSRQZQIRHDAC-ZWKOTPCHSA-N 1 0 366.461 3.000 20 10 FGCDRO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3ccc(C)c(C)c3O)nn2)c1 ZINC000366673294 499028013 /nfs/dbraw/zinc/02/80/13/499028013.db2.gz DLMKXCSAZKGZLM-HNNXBMFYSA-N 1 0 352.438 3.449 20 10 FGCDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C2 ZINC000363862452 499028931 /nfs/dbraw/zinc/02/89/31/499028931.db2.gz YYZVBSHVMPKNGQ-WCQYABFASA-N 1 0 350.260 3.325 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1O ZINC000366690725 499034989 /nfs/dbraw/zinc/03/49/89/499034989.db2.gz QDCFHMGVUWQBFR-CVEARBPZSA-N 1 0 352.862 3.030 20 10 FGCDRO CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295511648 499039141 /nfs/dbraw/zinc/03/91/41/499039141.db2.gz ZHYCQCDRTBRSCA-UHFFFAOYSA-N 1 0 357.834 3.220 20 10 FGCDRO COCc1nccc([C@H]2CCC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)n1 ZINC000372680257 499159711 /nfs/dbraw/zinc/15/97/11/499159711.db2.gz HENVTGVOYDUPHD-AWEZNQCLSA-N 1 0 373.428 3.050 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3cn4cccc(C)c4n3)CC2)cc1 ZINC000367413599 499196189 /nfs/dbraw/zinc/19/61/89/499196189.db2.gz UPAPOOJHEKZLOV-UHFFFAOYSA-N 1 0 350.466 3.410 20 10 FGCDRO CCC(=O)N1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000368618049 499314188 /nfs/dbraw/zinc/31/41/88/499314188.db2.gz TXKVAGHHTONPBZ-UHFFFAOYSA-N 1 0 368.477 3.416 20 10 FGCDRO COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)cc1 ZINC000371422279 499324796 /nfs/dbraw/zinc/32/47/96/499324796.db2.gz DZYQMOHWGNSAEF-UWJYYQICSA-N 1 0 373.449 3.116 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368795547 499333570 /nfs/dbraw/zinc/33/35/70/499333570.db2.gz PUYFRLXQIJSMDJ-UHFFFAOYSA-N 1 0 359.495 3.260 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371559399 499341954 /nfs/dbraw/zinc/34/19/54/499341954.db2.gz HSOBRNAETSFONX-IBGZPJMESA-N 1 0 372.509 3.406 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371567202 499342764 /nfs/dbraw/zinc/34/27/64/499342764.db2.gz YWDJXTKUCWBVFZ-SFHVURJKSA-N 1 0 358.482 3.015 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3cn(C)nc3C(F)(F)F)CC2)cc1 ZINC000373143371 499453619 /nfs/dbraw/zinc/45/36/19/499453619.db2.gz WIFXBACTVJFCKG-UHFFFAOYSA-N 1 0 368.403 3.206 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000373185433 499456126 /nfs/dbraw/zinc/45/61/26/499456126.db2.gz IMPUTFXOGRVVJD-ACJLOTCBSA-N 1 0 361.511 3.166 20 10 FGCDRO COCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCCc2cccnc21 ZINC000373448027 499470196 /nfs/dbraw/zinc/47/01/96/499470196.db2.gz INNZPKVPLZHVOP-INIZCTEOSA-N 1 0 356.422 3.042 20 10 FGCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ccccc2C1 ZINC000378493058 499523721 /nfs/dbraw/zinc/52/37/21/499523721.db2.gz HRFJACARAUGJNE-FQEVSTJZSA-N 1 0 355.457 3.475 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1O ZINC000375875065 499564032 /nfs/dbraw/zinc/56/40/32/499564032.db2.gz SDNRDADAFCXFJA-MSOLQXFVSA-N 1 0 364.873 3.224 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000376505823 499613470 /nfs/dbraw/zinc/61/34/70/499613470.db2.gz MPIWYXLTGQGECL-SFHVURJKSA-N 1 0 358.482 3.014 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1O ZINC000377803576 499736563 /nfs/dbraw/zinc/73/65/63/499736563.db2.gz YAUUTHMJZYMGMV-ZYHUDNBSSA-N 1 0 350.260 3.394 20 10 FGCDRO CO[C@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444121275 500806245 /nfs/dbraw/zinc/80/62/45/500806245.db2.gz HLVXTOGZGYMXNY-KRWDZBQOSA-N 1 0 369.509 3.045 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000471613685 502087289 /nfs/dbraw/zinc/08/72/89/502087289.db2.gz KCDXEHITBCGJAT-UHFFFAOYSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000471674189 502105051 /nfs/dbraw/zinc/10/50/51/502105051.db2.gz PQFGIQRBYGEDTG-MRXNPFEDSA-N 1 0 356.514 3.408 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000472040831 502208117 /nfs/dbraw/zinc/20/81/17/502208117.db2.gz ASQWWFVUSQLJSA-UHFFFAOYSA-N 1 0 356.514 3.406 20 10 FGCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472223071 502275757 /nfs/dbraw/zinc/27/57/57/502275757.db2.gz NFFIRIQXCJUFSG-QGZVFWFLSA-N 1 0 356.514 3.360 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)CCC[NH+]3CCCC3)ccc21 ZINC000508409636 503489224 /nfs/dbraw/zinc/48/92/24/503489224.db2.gz CVUYULKWUABOMS-UHFFFAOYSA-N 1 0 371.525 3.462 20 10 FGCDRO COCCc1noc(CC2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000529638394 504750557 /nfs/dbraw/zinc/75/05/57/504750557.db2.gz BQRGLVYUCWBEOK-UHFFFAOYSA-N 1 0 359.470 3.036 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3C[NH+](C)C)ccc21 ZINC000590818101 506978241 /nfs/dbraw/zinc/97/82/41/506978241.db2.gz HUHFXFQDBAWXGG-IBGZPJMESA-N 1 0 371.525 3.461 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1OC ZINC000821384350 599393667 /nfs/dbraw/zinc/39/36/67/599393667.db2.gz VZQKLFREQHPQDZ-CQSZACIVSA-N 1 0 367.453 3.263 20 10 FGCDRO CC(C)[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(N(C)C)cc1 ZINC000824296672 608533583 /nfs/dbraw/zinc/53/35/83/608533583.db2.gz KEELIVHNAGVISJ-UHFFFAOYSA-N 1 0 356.499 3.405 20 10 FGCDRO CN(C)c1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825879277 608857140 /nfs/dbraw/zinc/85/71/40/608857140.db2.gz JYVWMQGKKNMKLX-UHFFFAOYSA-N 1 0 360.465 3.222 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1C ZINC000073586295 695970903 /nfs/dbraw/zinc/97/09/03/695970903.db2.gz HOBARIJLDVRPEQ-UHFFFAOYSA-N 1 0 354.479 3.336 20 10 FGCDRO CCOC(=O)CCCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866476 700364196 /nfs/dbraw/zinc/36/41/96/700364196.db2.gz CQRZBLXTTACWIP-UHFFFAOYSA-N 1 0 352.450 3.080 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000092482229 700436476 /nfs/dbraw/zinc/43/64/76/700436476.db2.gz YFBVALOEMKXXKJ-UHFFFAOYSA-N 1 0 368.300 3.324 20 10 FGCDRO Oc1ccc(Br)cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683326 700452883 /nfs/dbraw/zinc/45/28/83/700452883.db2.gz DHGNSJQCRNKTNK-CQSZACIVSA-N 1 0 353.304 3.463 20 10 FGCDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1ccccc1O ZINC000120464866 700655159 /nfs/dbraw/zinc/65/51/59/700655159.db2.gz GLCZBIFCVDLLGP-UHFFFAOYSA-N 1 0 351.244 3.497 20 10 FGCDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1O ZINC000122071243 700684012 /nfs/dbraw/zinc/68/40/12/700684012.db2.gz MANAJXXIEWJNCG-UHFFFAOYSA-N 1 0 363.255 3.032 20 10 FGCDRO CCOc1cccc(C[NH2+]CCOc2ncccc2C(F)(F)F)c1O ZINC000122836533 700696653 /nfs/dbraw/zinc/69/66/53/700696653.db2.gz FFMQGCXHNUGERU-UHFFFAOYSA-N 1 0 356.344 3.373 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)CCC2CCOCC2)c1O ZINC000129626100 700790052 /nfs/dbraw/zinc/79/00/52/700790052.db2.gz KEUXVNHTZZCZHB-UHFFFAOYSA-N 1 0 358.276 3.412 20 10 FGCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000130124229 700796696 /nfs/dbraw/zinc/79/66/96/700796696.db2.gz ZEQCLQVSZXLJLZ-OAHLLOKOSA-N 1 0 370.588 3.293 20 10 FGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C1CC1 ZINC000130806452 700806545 /nfs/dbraw/zinc/80/65/45/700806545.db2.gz XKOHQBLHWOITPO-CABCVRRESA-N 1 0 351.922 3.310 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000131408349 700814825 /nfs/dbraw/zinc/81/48/25/700814825.db2.gz XMIPLZBVOLMHDD-CABCVRRESA-N 1 0 350.459 3.326 20 10 FGCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(NS(C)(=O)=O)cc1 ZINC000132226861 700825273 /nfs/dbraw/zinc/82/52/73/700825273.db2.gz WFTFXLHDGISMLI-GFCCVEGCSA-N 1 0 371.553 3.348 20 10 FGCDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCCSc1nccs1 ZINC000151769222 704936951 /nfs/dbraw/zinc/93/69/51/704936951.db2.gz OCEHKGCUXBHSQC-AWEZNQCLSA-N 1 0 356.561 3.189 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154668471 705044133 /nfs/dbraw/zinc/04/41/33/705044133.db2.gz WOCSUUREMFZUNO-OAHLLOKOSA-N 1 0 368.572 3.285 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)c2cccc(C)c2)c1 ZINC000155805498 705091374 /nfs/dbraw/zinc/09/13/74/705091374.db2.gz PKFPGVWRSOHMSJ-HNNXBMFYSA-N 1 0 363.479 3.224 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000158575065 705191157 /nfs/dbraw/zinc/19/11/57/705191157.db2.gz SOLLHQOKDLLSQI-UONOGXRCSA-N 1 0 351.443 3.353 20 10 FGCDRO CCc1nsc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000173471102 705460394 /nfs/dbraw/zinc/46/03/94/705460394.db2.gz GWHQWVLWGVMDHP-UHFFFAOYSA-N 1 0 354.479 3.282 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N(C)C(C)C ZINC000175285607 705541749 /nfs/dbraw/zinc/54/17/49/705541749.db2.gz IFKLCFIOQNQWDU-LBPRGKRZSA-N 1 0 357.292 3.232 20 10 FGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000179562197 705705168 /nfs/dbraw/zinc/70/51/68/705705168.db2.gz WECYXTJTPOBANN-CQSZACIVSA-N 1 0 355.356 3.283 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179990973 705723538 /nfs/dbraw/zinc/72/35/38/705723538.db2.gz KYFHAWCUZMPQHR-UHFFFAOYSA-N 1 0 350.459 3.234 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1O ZINC000185855983 712703570 /nfs/dbraw/zinc/70/35/70/712703570.db2.gz HKCUOAINOSWBNT-PWSUYJOCSA-N 1 0 350.340 3.266 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC000186200849 712712183 /nfs/dbraw/zinc/71/21/83/712712183.db2.gz OFDJIJSYTUPFBU-MLGOLLRUSA-N 1 0 350.459 3.355 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000189377263 712793040 /nfs/dbraw/zinc/79/30/40/712793040.db2.gz GEIRHYWTHDJQHH-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000189504081 712795869 /nfs/dbraw/zinc/79/58/69/712795869.db2.gz ZDTLABFFEDWDKF-OALUTQOASA-N 1 0 363.571 3.365 20 10 FGCDRO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000237345039 713590501 /nfs/dbraw/zinc/59/05/01/713590501.db2.gz KCCMTNXYWOKGOA-UHFFFAOYSA-N 1 0 364.287 3.148 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000246874747 713632341 /nfs/dbraw/zinc/63/23/41/713632341.db2.gz DREVATGATKXPRF-PXNSSMCTSA-N 1 0 363.571 3.001 20 10 FGCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000247531453 713641713 /nfs/dbraw/zinc/64/17/13/713641713.db2.gz JNQHOOMYQZNZRF-KBPBESRZSA-N 1 0 356.561 3.045 20 10 FGCDRO CCOc1cccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000255727323 713705622 /nfs/dbraw/zinc/70/56/22/713705622.db2.gz ZIXJHBQINCPGDD-FOWTUZBSSA-N 1 0 362.520 3.381 20 10 FGCDRO CN(c1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1)C1CCCCC1 ZINC000291103296 713770156 /nfs/dbraw/zinc/77/01/56/713770156.db2.gz JNSJNBREIVHVCV-UHFFFAOYSA-N 1 0 350.528 3.122 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000382406086 713979717 /nfs/dbraw/zinc/97/97/17/713979717.db2.gz AYVSHZNRLMXLHL-DZGCQCFKSA-N 1 0 350.459 3.184 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(Br)ccc1O ZINC000779065797 724386760 /nfs/dbraw/zinc/38/67/60/724386760.db2.gz PUBAEYRYEBZPKE-OCCSQVGLSA-N 1 0 350.260 3.407 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000779067300 724387265 /nfs/dbraw/zinc/38/72/65/724387265.db2.gz UOGZXPRKYKBNDB-CABCVRRESA-N 1 0 360.889 3.039 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(N2CCOCC2)cc1Cl ZINC000779089594 724389313 /nfs/dbraw/zinc/38/93/13/724389313.db2.gz UAXGIEBELYNESS-DOXZYTNZSA-N 1 0 352.906 3.378 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(O)(C(F)F)CC2)c1O ZINC000779208079 724399920 /nfs/dbraw/zinc/39/99/20/724399920.db2.gz AVJUJPPETVFXLH-UHFFFAOYSA-N 1 0 350.203 3.055 20 10 FGCDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(Br)cc(C)c2O)C1(C)C ZINC000783724345 724782174 /nfs/dbraw/zinc/78/21/74/724782174.db2.gz VEYNPLQEFRXEMA-WMLDXEAASA-N 1 0 372.303 3.119 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000725848873 722424802 /nfs/dbraw/zinc/42/48/02/722424802.db2.gz AVTDNEPEIZBBAP-CYBMUJFWSA-N 1 0 364.467 3.013 20 10 FGCDRO O=C(C[NH2+]Cc1cc(Br)ccc1O)Nc1cccc(F)c1 ZINC000725850333 722424857 /nfs/dbraw/zinc/42/48/57/722424857.db2.gz ZJJRTUYKFFMHGY-UHFFFAOYSA-N 1 0 353.191 3.022 20 10 FGCDRO COc1c(C)cnc(C[NH2+]Cc2cc(Br)ccc2O)c1C ZINC000725850243 722424866 /nfs/dbraw/zinc/42/48/66/722424866.db2.gz UIEKONGOTZAECM-UHFFFAOYSA-N 1 0 351.244 3.465 20 10 FGCDRO Cc1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000731852064 722478500 /nfs/dbraw/zinc/47/85/00/722478500.db2.gz KMNAXXUUSDGBFM-AWEZNQCLSA-N 1 0 364.833 3.128 20 10 FGCDRO O=[S@](CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203215 722482395 /nfs/dbraw/zinc/48/23/95/722482395.db2.gz PZPBUWBOCDPSGS-IQGLISFBSA-N 1 0 359.491 3.181 20 10 FGCDRO OCC[C@@H]1CSCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753548549 722903804 /nfs/dbraw/zinc/90/38/04/722903804.db2.gz LXNYLJHFKVRAJJ-GOSISDBHSA-N 1 0 359.491 3.271 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000756429286 722964497 /nfs/dbraw/zinc/96/44/97/722964497.db2.gz GAOGFMOZKJLWIW-CYBMUJFWSA-N 1 0 350.409 3.462 20 10 FGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Br)ccc1O ZINC000756478979 722965390 /nfs/dbraw/zinc/96/53/90/722965390.db2.gz KJXUENHJRTUJPU-LLVKDONJSA-N 1 0 364.243 3.229 20 10 FGCDRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000756553312 722966742 /nfs/dbraw/zinc/96/67/42/722966742.db2.gz GEDDBFXUUJCDTL-GFCCVEGCSA-N 1 0 369.870 3.179 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1O ZINC000756601793 722967559 /nfs/dbraw/zinc/96/75/59/722967559.db2.gz BADPGFIOTVPZFW-YWZLYKJASA-N 1 0 360.885 3.333 20 10 FGCDRO C[C@@H]([NH2+]CCCNc1ncccn1)c1cc(Br)ccc1O ZINC000756641030 722968156 /nfs/dbraw/zinc/96/81/56/722968156.db2.gz FKMPKBJJXZOHQA-LLVKDONJSA-N 1 0 351.248 3.098 20 10 FGCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Br)ccc1O ZINC000757799916 722979922 /nfs/dbraw/zinc/97/99/22/722979922.db2.gz LJBONBIJINYHAN-XJKSGUPXSA-N 1 0 356.260 3.366 20 10 FGCDRO C[NH+](C)C1(CNC(=O)NCCCSc2nccs2)CCCCC1 ZINC000759538031 723007611 /nfs/dbraw/zinc/00/76/11/723007611.db2.gz LKXZJFUZDIUTLR-UHFFFAOYSA-N 1 0 356.561 3.189 20 10 FGCDRO CC(C)(CNC(=O)NCCCSc1nccs1)C[NH+]1CCCC1 ZINC000790422892 723139050 /nfs/dbraw/zinc/13/90/50/723139050.db2.gz BDSQZGVPWXUYBC-UHFFFAOYSA-N 1 0 356.561 3.047 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c(O)c1 ZINC000791003799 723204357 /nfs/dbraw/zinc/20/43/57/723204357.db2.gz IHGQELSMGFYPCE-CQSZACIVSA-N 1 0 351.393 3.010 20 10 FGCDRO Cc1cccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c1O ZINC000763442621 723343501 /nfs/dbraw/zinc/34/35/01/723343501.db2.gz JUWLYHXNDVDYDV-HNNXBMFYSA-N 1 0 364.283 3.404 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(C(F)(F)F)c1 ZINC000792800196 723368980 /nfs/dbraw/zinc/36/89/80/723368980.db2.gz VQTQPUQCCUFHGL-CYBMUJFWSA-N 1 0 357.420 3.249 20 10 FGCDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000792977749 723389112 /nfs/dbraw/zinc/38/91/12/723389112.db2.gz MSEVGNDPSDNZET-RBUKOAKNSA-N 1 0 364.555 3.226 20 10 FGCDRO CCOc1cccc(C[N@H+](CC)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000793604510 723453412 /nfs/dbraw/zinc/45/34/12/723453412.db2.gz LNWDYBOGHJCFNM-UHFFFAOYSA-N 1 0 350.459 3.232 20 10 FGCDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765425324 723512360 /nfs/dbraw/zinc/51/23/60/723512360.db2.gz OTDMNUDUZPKVJI-STQMWFEESA-N 1 0 364.383 3.280 20 10 FGCDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(Br)c2O)cc1 ZINC000765730421 723536054 /nfs/dbraw/zinc/53/60/54/723536054.db2.gz VDGBXQFAXWAEMH-UHFFFAOYSA-N 1 0 363.255 3.146 20 10 FGCDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979438 723549718 /nfs/dbraw/zinc/54/97/18/723549718.db2.gz UAKCDUHFBTYKLI-QUCCMNQESA-N 1 0 364.555 3.370 20 10 FGCDRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765982130 723549873 /nfs/dbraw/zinc/54/98/73/723549873.db2.gz ZUKJYWOXSSXUFJ-KRWDZBQOSA-N 1 0 358.507 3.081 20 10 FGCDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437963 723657486 /nfs/dbraw/zinc/65/74/86/723657486.db2.gz LGUHRJAVIKDQQY-INIZCTEOSA-N 1 0 353.340 3.469 20 10 FGCDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043638 723775266 /nfs/dbraw/zinc/77/52/66/723775266.db2.gz DTJQERZUDPJLFH-WMLDXEAASA-N 1 0 364.486 3.416 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773108289 723776842 /nfs/dbraw/zinc/77/68/42/723776842.db2.gz VWCAGGMEZJEQHO-RYUDHWBXSA-N 1 0 366.811 3.141 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCc2sccc2C1 ZINC000774486625 723899225 /nfs/dbraw/zinc/89/92/25/723899225.db2.gz WNRQDOGCSOBLSH-HUUCEWRRSA-N 1 0 357.523 3.438 20 10 FGCDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775205423 723970830 /nfs/dbraw/zinc/97/08/30/723970830.db2.gz SULPBTIRAJNBAT-FQEVSTJZSA-N 1 0 350.478 3.443 20 10 FGCDRO CC[C@@H]([NH2+]CCN1CCC(OC)CC1)c1cc(Br)ccc1O ZINC000775512419 723997144 /nfs/dbraw/zinc/99/71/44/723997144.db2.gz OTYCACXMBUSWEN-MRXNPFEDSA-N 1 0 371.319 3.306 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1O ZINC000775534130 723998916 /nfs/dbraw/zinc/99/89/16/723998916.db2.gz BXNJGHQGMZHIFB-XFBWCDHKSA-N 1 0 362.861 3.014 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000775726142 724032034 /nfs/dbraw/zinc/03/20/34/724032034.db2.gz WNBJRKPEKLAWGH-OAHLLOKOSA-N 1 0 358.404 3.323 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=S)NCC[NH+](C)C)cc2Cl)C1 ZINC000799898527 724108845 /nfs/dbraw/zinc/10/88/45/724108845.db2.gz QTFRWNAAUVLBKK-AWEZNQCLSA-N 1 0 368.978 3.102 20 10 FGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000776812174 724185457 /nfs/dbraw/zinc/18/54/57/724185457.db2.gz QVUGLGHCLCMLSH-GDBMZVCRSA-N 1 0 350.459 3.138 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]Cc3scnc3C3CC3)cc2F)CC1 ZINC000785435517 724911936 /nfs/dbraw/zinc/91/19/36/724911936.db2.gz KHNOPTGAOGHHPC-UHFFFAOYSA-N 1 0 361.486 3.411 20 10 FGCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000786580201 724989893 /nfs/dbraw/zinc/98/98/93/724989893.db2.gz YEOAILJBDKNQAL-QGZVFWFLSA-N 1 0 364.283 3.465 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788583963 725073927 /nfs/dbraw/zinc/07/39/27/725073927.db2.gz MJSATHXIOJPAOD-ZDUSSCGKSA-N 1 0 351.466 3.237 20 10 FGCDRO CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1[O-] ZINC000806149892 725118286 /nfs/dbraw/zinc/11/82/86/725118286.db2.gz YOMHESPXCQLLET-RCCFBDPRSA-N 1 0 352.906 3.464 20 10 FGCDRO NC(=O)C[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000808226606 725188684 /nfs/dbraw/zinc/18/86/84/725188684.db2.gz GJXBPLPGABGBQM-LLVKDONJSA-N 1 0 363.255 3.005 20 10 FGCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808715010 725214534 /nfs/dbraw/zinc/21/45/34/725214534.db2.gz RJDJBMWPTILSFF-CYBMUJFWSA-N 1 0 374.934 3.066 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000809696782 725259759 /nfs/dbraw/zinc/25/97/59/725259759.db2.gz QSMAIMLVEVDNSR-QGZVFWFLSA-N 1 0 358.404 3.460 20 10 FGCDRO COc1cc(C)c(C[NH2+]Cc2cc(Br)ccc2O)c(C)n1 ZINC000809713332 725261635 /nfs/dbraw/zinc/26/16/35/725261635.db2.gz MTDIQZCUETWYJK-UHFFFAOYSA-N 1 0 351.244 3.465 20 10 FGCDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809720202 725262430 /nfs/dbraw/zinc/26/24/30/725262430.db2.gz AAWVZPUDDOWMIG-MRXNPFEDSA-N 1 0 351.466 3.381 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000809757387 725265592 /nfs/dbraw/zinc/26/55/92/725265592.db2.gz MIIIFUNDMPMWSK-INIZCTEOSA-N 1 0 358.276 3.290 20 10 FGCDRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000810144987 725292652 /nfs/dbraw/zinc/29/26/52/725292652.db2.gz OFZHZKCESPPZQY-APWZRJJASA-N 1 0 362.539 3.003 20 10 FGCDRO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810262037 725300388 /nfs/dbraw/zinc/30/03/88/725300388.db2.gz IRMONKLLIAUBKV-DLBZAZTESA-N 1 0 351.510 3.433 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000814169689 726944297 /nfs/dbraw/zinc/94/42/97/726944297.db2.gz LIYOQKWDWKBOOE-UHFFFAOYSA-N 1 0 373.254 3.084 20 10 FGCDRO Cn1ncc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000815127027 727041847 /nfs/dbraw/zinc/04/18/47/727041847.db2.gz JQFFXTAFAIYMIZ-ZDUSSCGKSA-N 1 0 370.831 3.434 20 10 FGCDRO Cn1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1Cl ZINC000815125803 727041988 /nfs/dbraw/zinc/04/19/88/727041988.db2.gz AFPRNIDQOSJGCN-HNNXBMFYSA-N 1 0 369.296 3.187 20 10 FGCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000815596851 727085740 /nfs/dbraw/zinc/08/57/40/727085740.db2.gz GHDANNXBUSXKDU-CQSZACIVSA-N 1 0 368.524 3.008 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000816642129 727184060 /nfs/dbraw/zinc/18/40/60/727184060.db2.gz QBBYRGVOSMOZPQ-QGZVFWFLSA-N 1 0 353.304 3.381 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)cc1F ZINC000816654929 727185556 /nfs/dbraw/zinc/18/55/56/727185556.db2.gz IUKBBTMMEXPNLB-UHFFFAOYSA-N 1 0 351.466 3.335 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1F ZINC000816667350 727187640 /nfs/dbraw/zinc/18/76/40/727187640.db2.gz KRVVEDSYORAMAB-WOJBJXKFSA-N 1 0 350.478 3.082 20 10 FGCDRO CC[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817898265 727287087 /nfs/dbraw/zinc/28/70/87/727287087.db2.gz DLEATQBIHXSWJE-JLSDUUJJSA-N 1 0 353.457 3.377 20 10 FGCDRO CC[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817898267 727287247 /nfs/dbraw/zinc/28/72/47/727287247.db2.gz DLEATQBIHXSWJE-QGTPRVQTSA-N 1 0 353.457 3.377 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1F ZINC000818985292 727334339 /nfs/dbraw/zinc/33/43/39/727334339.db2.gz QXHXKHCDCBHABC-CQSZACIVSA-N 1 0 352.837 3.075 20 10 FGCDRO O[C@@H](C[NH2+]CCCSc1nccs1)COc1ccc(Cl)cc1 ZINC000819064045 727343579 /nfs/dbraw/zinc/34/35/79/727343579.db2.gz SVOYBFPKCOCSQU-ZDUSSCGKSA-N 1 0 358.916 3.308 20 10 FGCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000823737584 729301981 /nfs/dbraw/zinc/30/19/81/729301981.db2.gz ZQVAIPOFBFJRMZ-AWEZNQCLSA-N 1 0 364.486 3.189 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000825113506 729371276 /nfs/dbraw/zinc/37/12/76/729371276.db2.gz FQLWHEZIUQIACM-UHFFFAOYSA-N 1 0 362.271 3.308 20 10 FGCDRO CC(C)OCCN1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825331964 729378995 /nfs/dbraw/zinc/37/89/95/729378995.db2.gz UELPDKNNCDFRRX-UHFFFAOYSA-N 1 0 371.319 3.134 20 10 FGCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1O ZINC000825922437 729399677 /nfs/dbraw/zinc/39/96/77/729399677.db2.gz QYLNLWVPENXURH-AWEZNQCLSA-N 1 0 365.857 3.009 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826096788 729405161 /nfs/dbraw/zinc/40/51/61/729405161.db2.gz DDPHCQKDAQCFAP-BZNIZROVSA-N 1 0 361.404 3.443 20 10 FGCDRO O=C(CSC1CC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095860 729424197 /nfs/dbraw/zinc/42/41/97/729424197.db2.gz MKZIIFOOVMVFHY-CQSZACIVSA-N 1 0 354.903 3.022 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(F)(F)c2cccc(Cl)c2)cc1 ZINC000832278544 729701768 /nfs/dbraw/zinc/70/17/68/729701768.db2.gz DTVDGFQYJPXBCT-INIZCTEOSA-N 1 0 367.827 3.314 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC000834821692 729836733 /nfs/dbraw/zinc/83/67/33/729836733.db2.gz SINMBIXWVTXKFA-NWDGAFQWSA-N 1 0 364.287 3.322 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1O ZINC000834882903 729842125 /nfs/dbraw/zinc/84/21/25/729842125.db2.gz VFKXWSQCTGMNMK-GOSISDBHSA-N 1 0 362.495 3.192 20 10 FGCDRO Cc1cnc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)cn1 ZINC000834909386 729845630 /nfs/dbraw/zinc/84/56/30/729845630.db2.gz RADCZBGKNFQBQO-LBPRGKRZSA-N 1 0 350.260 3.455 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000835038657 729852239 /nfs/dbraw/zinc/85/22/39/729852239.db2.gz XSFDZQBHEYPRQX-VURMDHGXSA-N 1 0 358.507 3.219 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c(Cl)c1 ZINC000840874670 730186629 /nfs/dbraw/zinc/18/66/29/730186629.db2.gz AKYFLHWGKCMINA-CQSZACIVSA-N 1 0 361.873 3.264 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000840881252 730187421 /nfs/dbraw/zinc/18/74/21/730187421.db2.gz HSOULSNYWWXUIP-INIZCTEOSA-N 1 0 350.528 3.295 20 10 FGCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1O ZINC000840948683 730195728 /nfs/dbraw/zinc/19/57/28/730195728.db2.gz JNUSDQRZMRQIDJ-AWEZNQCLSA-N 1 0 365.857 3.009 20 10 FGCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000840957970 730197257 /nfs/dbraw/zinc/19/72/57/730197257.db2.gz NNYLZNXMTNQSIQ-KRWDZBQOSA-N 1 0 357.523 3.295 20 10 FGCDRO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000841099196 730211181 /nfs/dbraw/zinc/21/11/81/730211181.db2.gz HGTGQUYHQSGCRG-WBVHZDCISA-N 1 0 359.297 3.417 20 10 FGCDRO NC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000841102925 730211781 /nfs/dbraw/zinc/21/17/81/730211781.db2.gz CLVRVSUERPQRJN-UHFFFAOYSA-N 1 0 359.901 3.129 20 10 FGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841743156 730269914 /nfs/dbraw/zinc/26/99/14/730269914.db2.gz DJKDBCUVKXFOSQ-APPDUMDISA-N 1 0 351.830 3.447 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(Cl)cc1O ZINC000841744701 730269946 /nfs/dbraw/zinc/26/99/46/730269946.db2.gz RRKXNHGDJHOROF-LLVKDONJSA-N 1 0 354.859 3.268 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841764864 730271957 /nfs/dbraw/zinc/27/19/57/730271957.db2.gz SHAXEEQNABCJCZ-OCCSQVGLSA-N 1 0 359.857 3.074 20 10 FGCDRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000841855987 730281481 /nfs/dbraw/zinc/28/14/81/730281481.db2.gz DWSQIUXAATZPSS-UHFFFAOYSA-N 1 0 364.540 3.186 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)ccc1O ZINC000842883577 730553641 /nfs/dbraw/zinc/55/36/41/730553641.db2.gz DWKXDMXEKAUPKU-GWCFXTLKSA-N 1 0 355.276 3.205 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cc4cnccc4o3)SC2=S)CC1 ZINC000844269476 730696260 /nfs/dbraw/zinc/69/62/60/730696260.db2.gz SLOMOZSBHWIERQ-DHDCSXOGSA-N 1 0 359.476 3.123 20 10 FGCDRO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)ccc2cc(Br)ccc21 ZINC000844742324 730760954 /nfs/dbraw/zinc/76/09/54/730760954.db2.gz UDRBXQZRAWWOSZ-OYMPBJRDSA-N 1 0 366.280 3.013 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000845971134 730913779 /nfs/dbraw/zinc/91/37/79/730913779.db2.gz HITRNZCEBAMIOY-UONOGXRCSA-N 1 0 363.479 3.259 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000846143224 730931807 /nfs/dbraw/zinc/93/18/07/730931807.db2.gz YHZUNJQHRPWDGO-OLZOCXBDSA-N 1 0 364.467 3.184 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000846142837 730931810 /nfs/dbraw/zinc/93/18/10/730931810.db2.gz WMQQNFPZWBJDTE-LBPRGKRZSA-N 1 0 369.870 3.179 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CC2(N3CCSCC3)CCCC2)c1O ZINC000846138496 730931852 /nfs/dbraw/zinc/93/18/52/730931852.db2.gz DWAQZFZVFKJKNC-OAHLLOKOSA-N 1 0 350.528 3.413 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c1O ZINC000846157321 730932558 /nfs/dbraw/zinc/93/25/58/730932558.db2.gz KAULXXWVWJMGHX-WFASDCNBSA-N 1 0 350.459 3.355 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846674076 730972266 /nfs/dbraw/zinc/97/22/66/730972266.db2.gz ZDOQHBIYHSRZRX-CABCVRRESA-N 1 0 367.287 3.034 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)c1O ZINC000848548373 731179372 /nfs/dbraw/zinc/17/93/72/731179372.db2.gz WHNBPCJDLWZUOY-WDMOLILDSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1O ZINC000848551318 731180122 /nfs/dbraw/zinc/18/01/22/731180122.db2.gz JPKAYTQVFHVRCO-GXSJLCMTSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnc(C)cn2)c1O ZINC000848552129 731180133 /nfs/dbraw/zinc/18/01/33/731180133.db2.gz HTFMHADOFWDIAB-LLVKDONJSA-N 1 0 366.259 3.155 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cccc(CC)c2O)s1 ZINC000848910984 731219407 /nfs/dbraw/zinc/21/94/07/731219407.db2.gz PIPYLBZBVALFBZ-RYUDHWBXSA-N 1 0 362.499 3.121 20 10 FGCDRO COc1cc(C[NH2+]CCCOC[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850154539 731327011 /nfs/dbraw/zinc/32/70/11/731327011.db2.gz STECARAALQXJIO-OAHLLOKOSA-N 1 0 351.487 3.231 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1O ZINC000850344217 731344598 /nfs/dbraw/zinc/34/45/98/731344598.db2.gz YBGNAYYEAVNXIN-ZDUSSCGKSA-N 1 0 357.292 3.126 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000852700493 731622255 /nfs/dbraw/zinc/62/22/55/731622255.db2.gz GQILIRNRZXRJIC-KRWDZBQOSA-N 1 0 359.857 3.119 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000852792280 731636002 /nfs/dbraw/zinc/63/60/02/731636002.db2.gz UXDDBAZZBXRBME-OAGGEKHMSA-N 1 0 357.420 3.237 20 10 FGCDRO Cn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(Cl)n1 ZINC000856771069 732057881 /nfs/dbraw/zinc/05/78/81/732057881.db2.gz XYMRCWVWYZITCO-OAHLLOKOSA-N 1 0 369.296 3.187 20 10 FGCDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Br)c1ccc(F)cc1F ZINC000858137116 732184622 /nfs/dbraw/zinc/18/46/22/732184622.db2.gz GNGLRWJNODVRGA-INIZCTEOSA-N 1 0 372.209 3.430 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C2CCN(c3nccs3)CC2)cc1F ZINC000858161793 732187611 /nfs/dbraw/zinc/18/76/11/732187611.db2.gz FBUMGTPGCCRIID-UHFFFAOYSA-N 1 0 352.454 3.246 20 10 FGCDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858191946 732190980 /nfs/dbraw/zinc/19/09/80/732190980.db2.gz FRKABGARJSPBAV-CZUORRHYSA-N 1 0 364.287 3.389 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)cnc2OC)cc1C ZINC000858248953 732196775 /nfs/dbraw/zinc/19/67/75/732196775.db2.gz GRVCWJFHZNAGJH-UHFFFAOYSA-N 1 0 351.244 3.460 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000858284332 732200253 /nfs/dbraw/zinc/20/02/53/732200253.db2.gz FTHBULGWQYRYDB-KGLIPLIRSA-N 1 0 350.459 3.278 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000858526468 732223851 /nfs/dbraw/zinc/22/38/51/732223851.db2.gz CGLUIBJSFRKWMU-GXTWGEPZSA-N 1 0 370.877 3.332 20 10 FGCDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862251028 732799320 /nfs/dbraw/zinc/79/93/20/732799320.db2.gz YXEHGMKGJSIIBV-CQSZACIVSA-N 1 0 353.304 3.318 20 10 FGCDRO Cc1noc(C2(C)CC[NH+](Cc3c(O)cccc3Br)CC2)n1 ZINC000862308341 732807204 /nfs/dbraw/zinc/80/72/04/732807204.db2.gz CWVVHLNMAUMOKG-UHFFFAOYSA-N 1 0 366.259 3.400 20 10 FGCDRO COc1cc(N2CC[NH+](C[C@@]3(C)CCCS3)CC2)cc(OC)c1OC ZINC000862326689 732808243 /nfs/dbraw/zinc/80/82/43/732808243.db2.gz SBOMVMCZHFGMLA-LJQANCHMSA-N 1 0 366.527 3.120 20 10 FGCDRO COC(=O)CC1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000862366137 732817141 /nfs/dbraw/zinc/81/71/41/732817141.db2.gz LLULHDGNOKWQKK-UHFFFAOYSA-N 1 0 356.260 3.366 20 10 FGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@@H](O)Cc1ccccc1 ZINC000862377288 732819597 /nfs/dbraw/zinc/81/95/97/732819597.db2.gz PBNPMTXXEXMDIW-AWEZNQCLSA-N 1 0 350.256 3.190 20 10 FGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1F ZINC000862395293 732823761 /nfs/dbraw/zinc/82/37/61/732823761.db2.gz ZIDQHVHHBJMESE-HNNXBMFYSA-N 1 0 351.441 3.008 20 10 FGCDRO CN(CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O)CC(F)F ZINC000862549793 732849392 /nfs/dbraw/zinc/84/93/92/732849392.db2.gz FCODHLWBXVJGKW-UHFFFAOYSA-N 1 0 350.409 3.258 20 10 FGCDRO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322271 732945014 /nfs/dbraw/zinc/94/50/14/732945014.db2.gz QQQLTWZOKAFCCH-BJHJDKERSA-N 1 0 363.255 3.004 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000866435733 733349261 /nfs/dbraw/zinc/34/92/61/733349261.db2.gz FDIRKAABIAPXAT-BZNIZROVSA-N 1 0 354.376 3.317 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1C ZINC000873075763 735717563 /nfs/dbraw/zinc/71/75/63/735717563.db2.gz DPUQEUULOYJHOE-UHFFFAOYSA-N 1 0 359.491 3.403 20 10 FGCDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1Cc2cccc(O)c2C1 ZINC000875003594 735952436 /nfs/dbraw/zinc/95/24/36/735952436.db2.gz CERKLNLXTVLMCN-MRXNPFEDSA-N 1 0 357.479 3.316 20 10 FGCDRO Cc1cccc(O)c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000876726860 736137104 /nfs/dbraw/zinc/13/71/04/736137104.db2.gz AVWMLGXRVMRVDU-UHFFFAOYSA-N 1 0 350.260 3.497 20 10 FGCDRO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]CCCSc1nccs1 ZINC000877061909 736182458 /nfs/dbraw/zinc/18/24/58/736182458.db2.gz UUJWWYZOHTYEFD-UHFFFAOYSA-N 1 0 368.528 3.104 20 10 FGCDRO Cc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(O)c1 ZINC000877465282 736222309 /nfs/dbraw/zinc/22/23/09/736222309.db2.gz RHAJTKCYFZMDBB-UHFFFAOYSA-N 1 0 372.416 3.283 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1O ZINC000877728344 736710262 /nfs/dbraw/zinc/71/02/62/736710262.db2.gz CSPDEQWEWSQAPK-HNNXBMFYSA-N 1 0 370.287 3.138 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822732 736730742 /nfs/dbraw/zinc/73/07/42/736730742.db2.gz HTOJZRMEPANIOQ-PBHICJAKSA-N 1 0 358.404 3.065 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)cc3)cc2)CC1 ZINC000886325561 739244063 /nfs/dbraw/zinc/24/40/63/739244063.db2.gz JQQAZXHRKBBDEU-UHFFFAOYSA-N 1 0 357.885 3.332 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000886669646 739280286 /nfs/dbraw/zinc/28/02/86/739280286.db2.gz BODBWKGVSPJKCO-YUTCNCBUSA-N 1 0 358.276 3.044 20 10 FGCDRO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886748879 739290910 /nfs/dbraw/zinc/29/09/10/739290910.db2.gz BMXLZWREJOFDFE-ZDUSSCGKSA-N 1 0 357.420 3.209 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(F)F)o2)[NH+](C)C)cc1 ZINC000891247259 739885903 /nfs/dbraw/zinc/88/59/03/739885903.db2.gz SECYMYSJVHMVSD-CQSZACIVSA-N 1 0 351.397 3.316 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2scnc2C2CC2)[NH+](C)C)cc1 ZINC000891249731 739886560 /nfs/dbraw/zinc/88/65/60/739886560.db2.gz WBDIWBXXTWEHQL-MRXNPFEDSA-N 1 0 358.511 3.119 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000892812342 740046664 /nfs/dbraw/zinc/04/66/64/740046664.db2.gz MBUDDSGZROVZRK-CXAGYDPISA-N 1 0 353.304 3.427 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2cc(C3CC3)nn2C)c1O ZINC000897224022 742655550 /nfs/dbraw/zinc/65/55/50/742655550.db2.gz FDUWOQBIDDCCBW-UHFFFAOYSA-N 1 0 350.260 3.364 20 10 FGCDRO COc1nn(C)cc1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000898024972 742735695 /nfs/dbraw/zinc/73/56/95/742735695.db2.gz BDVYRSCJGXQLNE-UHFFFAOYSA-N 1 0 356.495 3.416 20 10 FGCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](Cc4nccs4)C3)cc2)CC1 ZINC000898069617 742740957 /nfs/dbraw/zinc/74/09/57/742740957.db2.gz YEIRNIZKKFJVLK-KRWDZBQOSA-N 1 0 357.523 3.169 20 10 FGCDRO Fc1cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)ccc1N1CCOCC1 ZINC000898070867 742741524 /nfs/dbraw/zinc/74/15/24/742741524.db2.gz AMEJUQMDHOKARB-INIZCTEOSA-N 1 0 361.486 3.183 20 10 FGCDRO CC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000898268171 742766309 /nfs/dbraw/zinc/76/63/09/742766309.db2.gz WQWSUJNMUSAVAP-AWEZNQCLSA-N 1 0 355.360 3.379 20 10 FGCDRO COc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000899260498 742900745 /nfs/dbraw/zinc/90/07/45/742900745.db2.gz ITKFJWOCSZVCMI-LFIBNONCSA-N 1 0 362.520 3.299 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(N2CCOCC2)cc1 ZINC000903180539 743818165 /nfs/dbraw/zinc/81/81/65/743818165.db2.gz DYRWITVWZQEBSD-JQFCIGGWSA-N 1 0 358.404 3.284 20 10 FGCDRO C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(Br)ccc1O ZINC000903347233 743839310 /nfs/dbraw/zinc/83/93/10/743839310.db2.gz MDEDIACNQRQRRB-LBPRGKRZSA-N 1 0 370.287 3.127 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1 ZINC000903436026 743851413 /nfs/dbraw/zinc/85/14/13/743851413.db2.gz TYIPIBNWYBIRBQ-OLZOCXBDSA-N 1 0 362.861 3.088 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000925785620 759537154 /nfs/dbraw/zinc/53/71/54/759537154.db2.gz VCCAMOLJRWWJPK-DTWKUNHWSA-N 1 0 367.209 3.189 20 10 FGCDRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000933124231 761321055 /nfs/dbraw/zinc/32/10/55/761321055.db2.gz CJLGVUREHWTSHM-GOSISDBHSA-N 1 0 357.523 3.353 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1O ZINC000779023940 724382112 /nfs/dbraw/zinc/38/21/12/724382112.db2.gz IDEGOPFORSAGOV-CHWSQXEVSA-N 1 0 358.276 3.167 20 10 FGCDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(C3=S=CC=C3)o2)CC1 ZINC000580002391 505659064 /nfs/dbraw/zinc/65/90/64/505659064.db2.gz WGLBZLFAMTWVFZ-UHFFFAOYSA-N 1 0 370.478 3.011 20 10 FGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000089636705 494334951 /nfs/dbraw/zinc/33/49/51/494334951.db2.gz ZWBPVFUCXSEPPF-CABCVRRESA-N 1 0 356.507 3.290 20 10 FGCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090183246 494454037 /nfs/dbraw/zinc/45/40/37/494454037.db2.gz BHKVLKVSWMUCSI-HNNXBMFYSA-N 1 0 368.518 3.291 20 10 FGCDRO COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000091530986 494612490 /nfs/dbraw/zinc/61/24/90/494612490.db2.gz VXVUOGVVECXCRU-OAHLLOKOSA-N 1 0 358.438 3.096 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000092644425 494690526 /nfs/dbraw/zinc/69/05/26/494690526.db2.gz MYKSDHLBUNEVCL-UHFFFAOYSA-N 1 0 371.550 3.385 20 10 FGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000091832132 494697884 /nfs/dbraw/zinc/69/78/84/494697884.db2.gz SPHDCDCBOIZTIU-LLVKDONJSA-N 1 0 352.232 3.226 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCc3cn4ccccc4n3)CC2)cc1 ZINC000130614328 495419986 /nfs/dbraw/zinc/41/99/86/495419986.db2.gz PJTVKTLPMKIGEB-UHFFFAOYSA-N 1 0 350.466 3.144 20 10 FGCDRO COc1cccc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1O ZINC000114772806 495423081 /nfs/dbraw/zinc/42/30/81/495423081.db2.gz BTYPFTYOKUDQNX-UHFFFAOYSA-N 1 0 359.813 3.437 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1O ZINC000179569554 495644587 /nfs/dbraw/zinc/64/45/87/495644587.db2.gz ZBXUXZYPJFAVAH-LJQANCHMSA-N 1 0 370.424 3.187 20 10 FGCDRO CCc1cc(N2CCC([NH2+][C@H](C)c3cc(OC)ccc3O)CC2)ncn1 ZINC000185642665 495659573 /nfs/dbraw/zinc/65/95/73/495659573.db2.gz IEUOKTLVLCRFEC-CQSZACIVSA-N 1 0 356.470 3.073 20 10 FGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185866030 495757124 /nfs/dbraw/zinc/75/71/24/495757124.db2.gz GZQJZQXHLSHIAH-JTQLQIEISA-N 1 0 368.275 3.310 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(S(C)(=O)=O)cc1 ZINC000171379385 495846709 /nfs/dbraw/zinc/84/67/09/495846709.db2.gz VMEPQNQVQOKOKF-HNNXBMFYSA-N 1 0 358.507 3.323 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCO2 ZINC000151548751 495875056 /nfs/dbraw/zinc/87/50/56/495875056.db2.gz UDJYFLINHDDJOE-AWEZNQCLSA-N 1 0 372.440 3.366 20 10 FGCDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000183223251 495886992 /nfs/dbraw/zinc/88/69/92/495886992.db2.gz ZCGAHRQZCOFKTE-QHERXFFYSA-N 1 0 360.473 3.271 20 10 FGCDRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000162516489 496365929 /nfs/dbraw/zinc/36/59/29/496365929.db2.gz AKRVRJSPKIVKPV-UHFFFAOYSA-N 1 0 370.541 3.326 20 10 FGCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000162627377 496386243 /nfs/dbraw/zinc/38/62/43/496386243.db2.gz MLMSJOSSGNKRKT-UHFFFAOYSA-N 1 0 360.479 3.003 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000184685328 496491996 /nfs/dbraw/zinc/49/19/96/496491996.db2.gz PPEQFJGWHGUNEC-CYBMUJFWSA-N 1 0 354.878 3.038 20 10 FGCDRO C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187737284 496550910 /nfs/dbraw/zinc/55/09/10/496550910.db2.gz VSBXXQXKLKODFP-HNNXBMFYSA-N 1 0 367.484 3.271 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000181814047 496555608 /nfs/dbraw/zinc/55/56/08/496555608.db2.gz GJRCMSGAUUUTPR-PKOBYXMFSA-N 1 0 351.494 3.452 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)ccc1OC ZINC000184937170 496592243 /nfs/dbraw/zinc/59/22/43/496592243.db2.gz IDXRUIPAMCHRNC-CLOONOSVSA-N 1 0 361.507 3.441 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c1 ZINC000185010846 496621693 /nfs/dbraw/zinc/62/16/93/496621693.db2.gz GCTWPFQFVVLDKT-OAHLLOKOSA-N 1 0 354.450 3.374 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000185178710 496693406 /nfs/dbraw/zinc/69/34/06/496693406.db2.gz HYEPECAHMGDGMP-INIZCTEOSA-N 1 0 374.506 3.336 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c(O)c1C ZINC000273363585 496784287 /nfs/dbraw/zinc/78/42/87/496784287.db2.gz DJKZPEBFCGISTP-RDJZCZTQSA-N 1 0 355.482 3.480 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000273411845 496798417 /nfs/dbraw/zinc/79/84/17/496798417.db2.gz PVORXECRFAJPMB-AWEZNQCLSA-N 1 0 374.506 3.493 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268846664 496801628 /nfs/dbraw/zinc/80/16/28/496801628.db2.gz JEOSLZQRGNOYPF-CLCXKQKWSA-N 1 0 360.477 3.414 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000273463009 496812470 /nfs/dbraw/zinc/81/24/70/496812470.db2.gz DDSAGWGHFMDBNZ-HUUCEWRRSA-N 1 0 362.495 3.363 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000271206250 497290369 /nfs/dbraw/zinc/29/03/69/497290369.db2.gz SEGMSTMUZVISCV-UHFFFAOYSA-N 1 0 360.498 3.452 20 10 FGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000275811562 497438414 /nfs/dbraw/zinc/43/84/14/497438414.db2.gz FBLVCNDULVHJMZ-LJQANCHMSA-N 1 0 350.478 3.082 20 10 FGCDRO COc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000271775393 497445450 /nfs/dbraw/zinc/44/54/50/497445450.db2.gz GSKBZTDTWYWIIM-CQSZACIVSA-N 1 0 361.873 3.431 20 10 FGCDRO CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000271786994 497449042 /nfs/dbraw/zinc/44/90/42/497449042.db2.gz IKWGXVIUEIECGL-UHFFFAOYSA-N 1 0 351.922 3.036 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)ccc1OC ZINC000190423368 497473406 /nfs/dbraw/zinc/47/34/06/497473406.db2.gz BAUKEGNROKXAQI-ICSRJNTNSA-N 1 0 373.497 3.458 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(C)cc1O ZINC000279942876 497596758 /nfs/dbraw/zinc/59/67/58/497596758.db2.gz BHMIYIPPEOLELY-QGZVFWFLSA-N 1 0 362.495 3.192 20 10 FGCDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cccc(O)c2O)CC1 ZINC000279983488 497609403 /nfs/dbraw/zinc/60/94/03/497609403.db2.gz LNCZJGZNFCXZDC-UHFFFAOYSA-N 1 0 369.465 3.128 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000295877474 497838858 /nfs/dbraw/zinc/83/88/58/497838858.db2.gz HMJXRYFDMOWRHR-HXUWFJFHSA-N 1 0 352.478 3.378 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364261185 497867251 /nfs/dbraw/zinc/86/72/51/497867251.db2.gz VKLZAVMMCLYPJQ-ZDUSSCGKSA-N 1 0 369.303 3.283 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@H](c2nccn2C)C2CCOCC2)c(O)c1 ZINC000284832260 497914426 /nfs/dbraw/zinc/91/44/26/497914426.db2.gz VWOFGTHFKCKXEK-IBGZPJMESA-N 1 0 359.470 3.172 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3cc(Cl)nc(C)n3)cc2F)CC1 ZINC000301211568 498002294 /nfs/dbraw/zinc/00/22/94/498002294.db2.gz WWANQYDUIHWZTB-UHFFFAOYSA-N 1 0 363.868 3.332 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1OC ZINC000285222238 498024946 /nfs/dbraw/zinc/02/49/46/498024946.db2.gz UYFUAIGMKBBMEB-CEXWTWQISA-N 1 0 369.461 3.414 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(O)c1 ZINC000285443062 498085586 /nfs/dbraw/zinc/08/55/86/498085586.db2.gz ZDCXPBVMLHLTOE-INIZCTEOSA-N 1 0 368.543 3.110 20 10 FGCDRO Oc1cccc2c1[C@H]([NH2+]CCCCn1cc(Br)cn1)CC2 ZINC000296618172 498124989 /nfs/dbraw/zinc/12/49/89/498124989.db2.gz YYSHPXJFPZHQHM-CQSZACIVSA-N 1 0 350.260 3.409 20 10 FGCDRO COc1cc(Cl)cc(CN(C)C2CC[NH+](C3CCOCC3)CC2)c1O ZINC000359958849 498231373 /nfs/dbraw/zinc/23/13/73/498231373.db2.gz LCISYDLOXMENHZ-UHFFFAOYSA-N 1 0 368.905 3.129 20 10 FGCDRO C[C@H]1C[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000361121838 498348729 /nfs/dbraw/zinc/34/87/29/498348729.db2.gz IKEPKILJCADSHE-GRWKNNQQSA-N 1 0 366.461 3.138 20 10 FGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281997379 498349995 /nfs/dbraw/zinc/34/99/95/498349995.db2.gz CSGUMBWVPWIDKS-QFBILLFUSA-N 1 0 350.478 3.082 20 10 FGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000290009129 498391939 /nfs/dbraw/zinc/39/19/39/498391939.db2.gz ZKBZPVNEXUVBDN-CQSZACIVSA-N 1 0 360.429 3.227 20 10 FGCDRO Cc1cnc(C)c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000302171507 498426962 /nfs/dbraw/zinc/42/69/62/498426962.db2.gz UOSOMNFMIXNZAU-UHFFFAOYSA-N 1 0 351.498 3.238 20 10 FGCDRO O[C@@H]1[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC12CCOCC2 ZINC000282699117 498617972 /nfs/dbraw/zinc/61/79/72/498617972.db2.gz LWKVNHIFVQJMNO-TZIWHRDSSA-N 1 0 358.526 3.334 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000579102501 506095190 /nfs/dbraw/zinc/09/51/90/506095190.db2.gz ISJHOOZNYHYZMP-MRXNPFEDSA-N 1 0 363.461 3.498 20 10 FGCDRO CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)ccc1O ZINC000287563545 498797446 /nfs/dbraw/zinc/79/74/46/498797446.db2.gz QHFKACXNYAXJSP-CQSZACIVSA-N 1 0 358.276 3.127 20 10 FGCDRO C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000287948636 498909616 /nfs/dbraw/zinc/90/96/16/498909616.db2.gz GPIZTDPZVRRGNT-INIZCTEOSA-N 1 0 358.486 3.008 20 10 FGCDRO COC1CCN(c2ccc(CN3C[C@@H]([NH+]4CCCC4)C[C@H]3C)cc2)CC1 ZINC000295272087 498962512 /nfs/dbraw/zinc/96/25/12/498962512.db2.gz JPWVSQURICNSQY-NQIIRXRSSA-N 1 0 357.542 3.360 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1O ZINC000363850445 499024055 /nfs/dbraw/zinc/02/40/55/499024055.db2.gz HKDSESKUFSCNMY-WMLDXEAASA-N 1 0 366.440 3.379 20 10 FGCDRO COCC1(C[NH2+]Cc2ccccc2O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000284042741 499035919 /nfs/dbraw/zinc/03/59/19/499035919.db2.gz OUTDJXNQTYARCJ-UHFFFAOYSA-N 1 0 364.486 3.146 20 10 FGCDRO Cn1cc(C(=O)N2CC3(CCC3)c3c2cccc3F)c([C@H]2CCC[NH2+]C2)n1 ZINC000333839572 499085290 /nfs/dbraw/zinc/08/52/90/499085290.db2.gz NZCJHJORBCPWAI-AWEZNQCLSA-N 1 0 368.456 3.108 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 ZINC000369900936 499148550 /nfs/dbraw/zinc/14/85/50/499148550.db2.gz DFPNBIOHPBTUNJ-RYUDHWBXSA-N 1 0 354.376 3.268 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000367319828 499180719 /nfs/dbraw/zinc/18/07/19/499180719.db2.gz XZADNSLAGNIRPR-RDJZCZTQSA-N 1 0 374.485 3.142 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(=O)[nH]n1 ZINC000367750402 499230695 /nfs/dbraw/zinc/23/06/95/499230695.db2.gz AOGKEVPYNSVZPF-LBPRGKRZSA-N 1 0 364.396 3.103 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000368021592 499256178 /nfs/dbraw/zinc/25/61/78/499256178.db2.gz ZHIDNZLMEUWFSC-INIZCTEOSA-N 1 0 359.495 3.456 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000368228683 499275922 /nfs/dbraw/zinc/27/59/22/499275922.db2.gz YURGMCPINICNNF-MRXNPFEDSA-N 1 0 371.872 3.023 20 10 FGCDRO Oc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000369517942 499411578 /nfs/dbraw/zinc/41/15/78/499411578.db2.gz IKFPZHMVRLPDCA-DYESRHJHSA-N 1 0 362.433 3.391 20 10 FGCDRO CC(=O)c1cc(F)cc(CN2CC[C@H](OCc3csc(C)n3)C2)c1O ZINC000372283471 499416373 /nfs/dbraw/zinc/41/63/73/499416373.db2.gz SVQFHWXXWOKAGT-INIZCTEOSA-N 1 0 364.442 3.290 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccnc(OC(F)F)c3)CC2)cc1 ZINC000375312315 499506308 /nfs/dbraw/zinc/50/63/08/499506308.db2.gz AUSMDNLMEXFYKE-UHFFFAOYSA-N 1 0 363.408 3.450 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000378440705 499517034 /nfs/dbraw/zinc/51/70/34/499517034.db2.gz DMXKAQXTEKBBFI-HXUWFJFHSA-N 1 0 352.434 3.349 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c(O)c1 ZINC000376015224 499576495 /nfs/dbraw/zinc/57/64/95/499576495.db2.gz QMZYKJYNFGOCPW-AVRDEDQJSA-N 1 0 368.477 3.490 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCn2cccc2)C1 ZINC000444242629 500822919 /nfs/dbraw/zinc/82/29/19/500822919.db2.gz HHFOCAWPLXGZQV-UHFFFAOYSA-N 1 0 364.493 3.026 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccn2C)C1 ZINC000435811585 501032609 /nfs/dbraw/zinc/03/26/09/501032609.db2.gz XPMCNVOAIAEJLJ-UHFFFAOYSA-N 1 0 364.493 3.063 20 10 FGCDRO CC[C@@H]1OCC[C@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000458301721 501416158 /nfs/dbraw/zinc/41/61/58/501416158.db2.gz YAXLNCPJCYBCML-NQIIRXRSSA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000475194518 502095508 /nfs/dbraw/zinc/09/55/08/502095508.db2.gz FQGGEUBBEJEMNZ-OAHLLOKOSA-N 1 0 356.491 3.439 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH+](CC(C)C)CC3)ccc21 ZINC000484595056 502679930 /nfs/dbraw/zinc/67/99/30/502679930.db2.gz VNAGSFDRUVIIBP-UHFFFAOYSA-N 1 0 371.525 3.318 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)CC[C@H]3C)ccc21 ZINC000498708901 503244036 /nfs/dbraw/zinc/24/40/36/503244036.db2.gz XQXZCZFXVFUNHV-OAHLLOKOSA-N 1 0 357.498 3.071 20 10 FGCDRO CC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)(C)O ZINC000512803459 503635342 /nfs/dbraw/zinc/63/53/42/503635342.db2.gz WQIHWXAZYUJCNJ-FQEVSTJZSA-N 1 0 371.525 3.074 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CSC[C@@H]2C)C1 ZINC000552669029 505530205 /nfs/dbraw/zinc/53/02/05/505530205.db2.gz YMXRNNXEBDTTFF-YJBOKZPZSA-N 1 0 371.550 3.276 20 10 FGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000821589350 607004823 /nfs/dbraw/zinc/00/48/23/607004823.db2.gz KKCVXAMDMJVGJA-UHFFFAOYSA-N 1 0 366.444 3.236 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000824293393 608531630 /nfs/dbraw/zinc/53/16/30/608531630.db2.gz KBHFGABTBHCVTG-UHFFFAOYSA-N 1 0 368.460 3.482 20 10 FGCDRO CC[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Br)ccc1O ZINC000076118535 700224668 /nfs/dbraw/zinc/22/46/68/700224668.db2.gz PJRJJEDUPZWSCS-UHFFFAOYSA-N 1 0 363.255 3.276 20 10 FGCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1F ZINC000084866414 700364038 /nfs/dbraw/zinc/36/40/38/700364038.db2.gz HHDIFQGHUUGYBX-GOSISDBHSA-N 1 0 364.848 3.343 20 10 FGCDRO COc1cccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000091935319 700429037 /nfs/dbraw/zinc/42/90/37/700429037.db2.gz OAPWCAQUUWEYLR-UHFFFAOYSA-N 1 0 350.459 3.232 20 10 FGCDRO CCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCCCO1 ZINC000093132414 700447155 /nfs/dbraw/zinc/44/71/55/700447155.db2.gz ROMRLCLADREWJV-GOSISDBHSA-N 1 0 350.478 3.443 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl)OCO2 ZINC000124237845 700716818 /nfs/dbraw/zinc/71/68/18/700716818.db2.gz AEXPKVCORWEDKD-ZDUSSCGKSA-N 1 0 356.205 3.251 20 10 FGCDRO C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000129856523 700792852 /nfs/dbraw/zinc/79/28/52/700792852.db2.gz FPKAOSJTTJGSBH-INIZCTEOSA-N 1 0 350.478 3.398 20 10 FGCDRO C[C@@](O)(C[NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000157770945 705163335 /nfs/dbraw/zinc/16/33/35/705163335.db2.gz FLHWDCDHSJTEOF-MRXNPFEDSA-N 1 0 354.219 3.291 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000174312785 705498029 /nfs/dbraw/zinc/49/80/29/705498029.db2.gz IDYRERVDRYUEBH-UHFFFAOYSA-N 1 0 353.871 3.226 20 10 FGCDRO CC[C@H]([NH2+]CCN1CCSCC1)c1cc(Br)ccc1O ZINC000229554540 713575868 /nfs/dbraw/zinc/57/58/68/713575868.db2.gz IDGGBWBQNOTADV-AWEZNQCLSA-N 1 0 359.333 3.244 20 10 FGCDRO CC[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)ccc1O ZINC000229554529 713575879 /nfs/dbraw/zinc/57/58/79/713575879.db2.gz IDGGBWBQNOTADV-CQSZACIVSA-N 1 0 359.333 3.244 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)CC1 ZINC000255585087 713701040 /nfs/dbraw/zinc/70/10/40/713701040.db2.gz NODDJBJNCCSCEW-RIYZIHGNSA-N 1 0 354.447 3.260 20 10 FGCDRO CN1CCC([NH2+]C[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000362866935 713857877 /nfs/dbraw/zinc/85/78/77/713857877.db2.gz WCOXMKTYDIZQJI-CQSZACIVSA-N 1 0 357.420 3.095 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1O ZINC000373851482 713877105 /nfs/dbraw/zinc/87/71/05/713877105.db2.gz XSEZSXSOBSFJEL-CJNGLKHVSA-N 1 0 366.889 3.325 20 10 FGCDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000802652082 724397490 /nfs/dbraw/zinc/39/74/90/724397490.db2.gz KQHUUTWOYLVCNP-OAHLLOKOSA-N 1 0 358.276 3.091 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000770389434 723712774 /nfs/dbraw/zinc/71/27/74/723712774.db2.gz WIEKWXWRTIRSKI-KGLIPLIRSA-N 1 0 350.459 3.136 20 10 FGCDRO c1csc(N2CCC([NH2+]Cc3ccc(N4CCSCC4)cc3)CC2)n1 ZINC000781455836 724566044 /nfs/dbraw/zinc/56/60/44/724566044.db2.gz MMOCQZGYSHMZER-UHFFFAOYSA-N 1 0 374.579 3.455 20 10 FGCDRO Cc1cc(CN(C)Cc2ncnn2CC(F)F)c(O)c(C(C)(C)C)c1 ZINC000782977624 724713790 /nfs/dbraw/zinc/71/37/90/724713790.db2.gz BDPNXFPPJCWHFA-UHFFFAOYSA-N 1 0 352.429 3.487 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000783594468 724769897 /nfs/dbraw/zinc/76/98/97/724769897.db2.gz FYTTWNACJIVURS-CQSZACIVSA-N 1 0 358.404 3.058 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 ZINC000727466605 722444843 /nfs/dbraw/zinc/44/48/43/722444843.db2.gz CJRHCGWXMHCVPC-IBGZPJMESA-N 1 0 364.848 3.139 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c(O)c1 ZINC000727836725 722447974 /nfs/dbraw/zinc/44/79/74/722447974.db2.gz DNYAWYHFALKXKH-KRWDZBQOSA-N 1 0 355.356 3.331 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000731449232 722475397 /nfs/dbraw/zinc/47/53/97/722475397.db2.gz XQNSNOZGPKSTOJ-UHFFFAOYSA-N 1 0 373.254 3.084 20 10 FGCDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732048903 722481010 /nfs/dbraw/zinc/48/10/10/722481010.db2.gz LLWXWBBADVFXNR-CQSZACIVSA-N 1 0 362.817 3.425 20 10 FGCDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1=CC(=O)CS1 ZINC000753502105 722901768 /nfs/dbraw/zinc/90/17/68/722901768.db2.gz BLVQANMKRRHGJR-BPQIPLTHSA-N 1 0 356.491 3.484 20 10 FGCDRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753572206 722905099 /nfs/dbraw/zinc/90/50/99/722905099.db2.gz VETMTIHZKIGZOH-OAHLLOKOSA-N 1 0 355.356 3.374 20 10 FGCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000754735845 722945123 /nfs/dbraw/zinc/94/51/23/722945123.db2.gz DOAURCHABDZCBG-OAHLLOKOSA-N 1 0 350.459 3.150 20 10 FGCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754742661 722945173 /nfs/dbraw/zinc/94/51/73/722945173.db2.gz WJBPJCSJBMXOQI-AWEZNQCLSA-N 1 0 367.511 3.179 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000756429290 722964483 /nfs/dbraw/zinc/96/44/83/722964483.db2.gz GAOGFMOZKJLWIW-ZDUSSCGKSA-N 1 0 350.409 3.462 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Br)ccc1O ZINC000756583869 722967150 /nfs/dbraw/zinc/96/71/50/722967150.db2.gz RIDIQDFNFLTGED-SCRDCRAPSA-N 1 0 369.303 3.452 20 10 FGCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1O ZINC000756601786 722967521 /nfs/dbraw/zinc/96/75/21/722967521.db2.gz BADPGFIOTVPZFW-FOIQADDNSA-N 1 0 360.885 3.333 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)cc1O ZINC000756787894 722970098 /nfs/dbraw/zinc/97/00/98/722970098.db2.gz SUDKDEWWYUPSKR-YPMHNXCESA-N 1 0 356.260 3.491 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)cc1 ZINC000758478593 722990484 /nfs/dbraw/zinc/99/04/84/722990484.db2.gz HXMHUZHZCMWERG-OAQYLSRUSA-N 1 0 355.551 3.460 20 10 FGCDRO C[C@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1CCCC[C@H]1C ZINC000759560314 723009017 /nfs/dbraw/zinc/00/90/17/723009017.db2.gz FJEPIAYSUOSMTB-ZIAGYGMSSA-N 1 0 356.561 3.187 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)c1ccccc1O ZINC000760014604 723033783 /nfs/dbraw/zinc/03/37/83/723033783.db2.gz DREJUKZKBSZLBP-SFHVURJKSA-N 1 0 363.479 3.053 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000761191851 723131637 /nfs/dbraw/zinc/13/16/37/723131637.db2.gz XYZHQGWZCVSTHR-AWEZNQCLSA-N 1 0 370.877 3.495 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC000763390599 723340352 /nfs/dbraw/zinc/34/03/52/723340352.db2.gz YUYJOUDTWBFIPU-GOSISDBHSA-N 1 0 358.507 3.108 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000792812877 723370194 /nfs/dbraw/zinc/37/01/94/723370194.db2.gz VWJSKVVKPJBRPM-CQSZACIVSA-N 1 0 358.404 3.356 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000792984283 723389665 /nfs/dbraw/zinc/38/96/65/723389665.db2.gz SOAFOARKTWBFMG-INIZCTEOSA-N 1 0 352.400 3.465 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c(C(F)(F)F)c1 ZINC000793394820 723433773 /nfs/dbraw/zinc/43/37/73/723433773.db2.gz MMJULURMPCPQCD-UHFFFAOYSA-N 1 0 357.420 3.262 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000765425320 723512258 /nfs/dbraw/zinc/51/22/58/723512258.db2.gz OTDMNUDUZPKVJI-QWHCGFSZSA-N 1 0 364.383 3.280 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000794836045 723548365 /nfs/dbraw/zinc/54/83/65/723548365.db2.gz RKCPKUYWUOMNSD-CMPLNLGQSA-N 1 0 373.266 3.203 20 10 FGCDRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979899 723549763 /nfs/dbraw/zinc/54/97/63/723549763.db2.gz WMRKDVNTSRSSNT-OAHLLOKOSA-N 1 0 364.536 3.142 20 10 FGCDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981584 723549893 /nfs/dbraw/zinc/54/98/93/723549893.db2.gz XAEBATMPXNRJHR-SJLPKXTDSA-N 1 0 352.544 3.226 20 10 FGCDRO C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384016 723571437 /nfs/dbraw/zinc/57/14/37/723571437.db2.gz VKRQBSLQUXUWIG-HZPDHXFCSA-N 1 0 351.922 3.169 20 10 FGCDRO COc1cccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1O ZINC000796468426 723638879 /nfs/dbraw/zinc/63/88/79/723638879.db2.gz CYLNXNHGTOTSSQ-QGZVFWFLSA-N 1 0 366.255 3.161 20 10 FGCDRO O=C(COC1CCCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912014 723672014 /nfs/dbraw/zinc/67/20/14/723672014.db2.gz LNRXSPSOLYXRPX-MRXNPFEDSA-N 1 0 366.889 3.085 20 10 FGCDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3O)CC2)cs1 ZINC000770506188 723715253 /nfs/dbraw/zinc/71/52/53/723715253.db2.gz XOTMPYNTQWSVQH-HNNXBMFYSA-N 1 0 361.511 3.264 20 10 FGCDRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3O)CC2)cs1 ZINC000770506189 723715333 /nfs/dbraw/zinc/71/53/33/723715333.db2.gz XOTMPYNTQWSVQH-OAHLLOKOSA-N 1 0 361.511 3.264 20 10 FGCDRO COc1ccc(N2CCC[N@H+](Cc3cn(C)nc3C(F)F)CC2)cc1 ZINC000770648584 723718267 /nfs/dbraw/zinc/71/82/67/723718267.db2.gz SGGRZHOUEBQQEP-UHFFFAOYSA-N 1 0 350.413 3.079 20 10 FGCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773108290 723776826 /nfs/dbraw/zinc/77/68/26/723776826.db2.gz VWCAGGMEZJEQHO-VXGBXAGGSA-N 1 0 366.811 3.141 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000797140931 723786312 /nfs/dbraw/zinc/78/63/12/723786312.db2.gz OSIYMDREVXLTRF-JHJVBQTASA-N 1 0 362.499 3.428 20 10 FGCDRO Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1O ZINC000775203503 723970737 /nfs/dbraw/zinc/97/07/37/723970737.db2.gz LHUZEGFKZIYUEY-UHFFFAOYSA-N 1 0 373.396 3.413 20 10 FGCDRO CC[C@@H]([NH2+]CCc1nncn1CC)c1cc(Br)ccc1O ZINC000775524920 723998201 /nfs/dbraw/zinc/99/82/01/723998201.db2.gz UTONIPBOHHCHGR-CYBMUJFWSA-N 1 0 353.264 3.050 20 10 FGCDRO CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000775733614 724033759 /nfs/dbraw/zinc/03/37/59/724033759.db2.gz WEZYMSFJLFNIRA-UHFFFAOYSA-N 1 0 369.912 3.175 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000775739069 724035893 /nfs/dbraw/zinc/03/58/93/724035893.db2.gz CBAMVMSVSBPKEY-UKRRQHHQSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000775968250 724090501 /nfs/dbraw/zinc/09/05/01/724090501.db2.gz IDXUGRCTGNZOJP-ZIAGYGMSSA-N 1 0 350.459 3.231 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000776175044 724115625 /nfs/dbraw/zinc/11/56/25/724115625.db2.gz FULZJZTYLYBPBU-WBVHZDCISA-N 1 0 355.356 3.025 20 10 FGCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3c(O)cccc3Cl)C2)c1 ZINC000776231641 724121637 /nfs/dbraw/zinc/12/16/37/724121637.db2.gz LCWPXMIIXXVYPH-CYBMUJFWSA-N 1 0 362.857 3.431 20 10 FGCDRO CC1CC[NH+]([C@H](CNC(=O)c2cccc(O)c2O)c2cccs2)CC1 ZINC000776318359 724131820 /nfs/dbraw/zinc/13/18/20/724131820.db2.gz WTLZJRQXIVRJMS-OAHLLOKOSA-N 1 0 360.479 3.362 20 10 FGCDRO NC(=O)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1ccccc1Cl ZINC000776938694 724197733 /nfs/dbraw/zinc/19/77/33/724197733.db2.gz OSPYAFNADXWVGG-CYBMUJFWSA-N 1 0 353.249 3.133 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C(F)F ZINC000801174466 724274475 /nfs/dbraw/zinc/27/44/75/724274475.db2.gz ONFIZHLBSBFGAP-RDBSUJKOSA-N 1 0 358.816 3.027 20 10 FGCDRO CC1(C)CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449140 725028710 /nfs/dbraw/zinc/02/87/10/725028710.db2.gz JFHSOVVUBALPFF-DOTOQJQBSA-N 1 0 366.889 3.084 20 10 FGCDRO Cc1nccn1C[C@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806652378 725139449 /nfs/dbraw/zinc/13/94/49/725139449.db2.gz WBRVBYSSWIYEMH-SNVBAGLBSA-N 1 0 371.268 3.339 20 10 FGCDRO C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000808442513 725201411 /nfs/dbraw/zinc/20/14/11/725201411.db2.gz GGAOCAHAPORDFT-UHFFFAOYSA-N 1 0 367.852 3.200 20 10 FGCDRO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713554 725261587 /nfs/dbraw/zinc/26/15/87/725261587.db2.gz SSULIPFSSQQESY-UHFFFAOYSA-N 1 0 358.667 3.394 20 10 FGCDRO [NH3+]CCN(Cc1cccc(Br)c1O)c1ccc([N+](=O)[O-])cc1 ZINC000809736548 725264045 /nfs/dbraw/zinc/26/40/45/725264045.db2.gz ZLXYAHDISIHMGB-UHFFFAOYSA-N 1 0 366.215 3.028 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@@H](O)c2ccccc2)c1O ZINC000809748818 725264555 /nfs/dbraw/zinc/26/45/55/725264555.db2.gz YSQQBEZYKLYZOM-OAHLLOKOSA-N 1 0 366.255 3.377 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810223336 725297789 /nfs/dbraw/zinc/29/77/89/725297789.db2.gz LABHSZMVSXVERH-ZWNOBZJWSA-N 1 0 353.406 3.275 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1O ZINC000811511680 725371476 /nfs/dbraw/zinc/37/14/76/725371476.db2.gz QPXCUHWWXADDFC-HNNXBMFYSA-N 1 0 368.861 3.297 20 10 FGCDRO Oc1ccc(Cl)c(F)c1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000812778937 726810529 /nfs/dbraw/zinc/81/05/29/726810529.db2.gz ROJCEXDTXMQBNX-AWEZNQCLSA-N 1 0 350.821 3.363 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc1C ZINC000813788305 726914486 /nfs/dbraw/zinc/91/44/86/726914486.db2.gz DWEKRAZLCZGUJD-HOTGVXAUSA-N 1 0 352.450 3.441 20 10 FGCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCC34CCCC4)cc2)CC1 ZINC000815579545 727084963 /nfs/dbraw/zinc/08/49/63/727084963.db2.gz PGNOXMGCWIYXMJ-IBGZPJMESA-N 1 0 362.539 3.124 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Br)ccc1O ZINC000817585725 727268273 /nfs/dbraw/zinc/26/82/73/727268273.db2.gz HHBNRKMHJLOUQB-HUBLWGQQSA-N 1 0 369.303 3.487 20 10 FGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817956098 727289431 /nfs/dbraw/zinc/28/94/31/727289431.db2.gz QTIFJYGUWPUMHW-GFCCVEGCSA-N 1 0 354.422 3.158 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000818218807 727302012 /nfs/dbraw/zinc/30/20/12/727302012.db2.gz QRKQYPBCANUSMD-JKSUJKDBSA-N 1 0 350.459 3.182 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)Cc1ccc(F)cc1 ZINC000818964264 727331361 /nfs/dbraw/zinc/33/13/61/727331361.db2.gz PKSDGMGJDGYNKS-FQEVSTJZSA-N 1 0 360.498 3.072 20 10 FGCDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819062617 727343736 /nfs/dbraw/zinc/34/37/36/727343736.db2.gz GURQOYUUHFQRSQ-OAHLLOKOSA-N 1 0 352.525 3.272 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000819076892 727344991 /nfs/dbraw/zinc/34/49/91/727344991.db2.gz GUXLRULXWMVETB-IBGZPJMESA-N 1 0 362.901 3.382 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000819078471 727345273 /nfs/dbraw/zinc/34/52/73/727345273.db2.gz WELMDIBGLDBAMB-HXUWFJFHSA-N 1 0 362.901 3.382 20 10 FGCDRO O[C@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)CC(F)(F)F ZINC000819121559 727349919 /nfs/dbraw/zinc/34/99/19/727349919.db2.gz WYUMLOOVRCITCK-AAEUAGOBSA-N 1 0 368.346 3.160 20 10 FGCDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2O)[nH]c1C ZINC000824377236 729334595 /nfs/dbraw/zinc/33/45/95/729334595.db2.gz ZDZPJQOYUHTUKZ-UHFFFAOYSA-N 1 0 367.243 3.258 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000824445721 729339165 /nfs/dbraw/zinc/33/91/65/729339165.db2.gz LNVFAGUZFXGCKU-CYBMUJFWSA-N 1 0 353.304 3.379 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H](O)C(F)F ZINC000824635550 729352241 /nfs/dbraw/zinc/35/22/41/729352241.db2.gz HQMYJZABFZZXNO-SJLPKXTDSA-N 1 0 351.393 3.465 20 10 FGCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824725786 729356740 /nfs/dbraw/zinc/35/67/40/729356740.db2.gz KOLNSGYGCBWBQX-OAHLLOKOSA-N 1 0 367.287 3.132 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]CCN1CCc2sccc2C1 ZINC000825131450 729372267 /nfs/dbraw/zinc/37/22/67/729372267.db2.gz OGWPGEKVCRWGHG-UHFFFAOYSA-N 1 0 367.312 3.364 20 10 FGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)c1ccccc1Br ZINC000825305680 729378085 /nfs/dbraw/zinc/37/80/85/729378085.db2.gz PSQYFVLFGHQBLY-MRXNPFEDSA-N 1 0 354.219 3.459 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCn2cc(Br)ccc2=O)cc1Cl ZINC000826030416 729402895 /nfs/dbraw/zinc/40/28/95/729402895.db2.gz YTIRZJMIOHWMCW-UHFFFAOYSA-N 1 0 371.662 3.068 20 10 FGCDRO C[C@@H](O)C1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000827585248 729432020 /nfs/dbraw/zinc/43/20/20/729432020.db2.gz DDVQOGPMWFNLOK-CYBMUJFWSA-N 1 0 353.304 3.442 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)c1 ZINC000828667181 729446376 /nfs/dbraw/zinc/44/63/76/729446376.db2.gz NTXAJGLNAGCISW-ABAIWWIYSA-N 1 0 363.845 3.025 20 10 FGCDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C1=CC(=O)CS1 ZINC000831221434 729626333 /nfs/dbraw/zinc/62/63/33/729626333.db2.gz YVALLZLSFPJWBV-OAHLLOKOSA-N 1 0 360.479 3.286 20 10 FGCDRO CC[C@@H](Sc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274857 729701581 /nfs/dbraw/zinc/70/15/81/729701581.db2.gz ZYEUVQNSPMAITJ-RBUKOAKNSA-N 1 0 357.523 3.440 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])c(C)n1-c1ccccc1Br ZINC000834453395 729804777 /nfs/dbraw/zinc/80/47/77/729804777.db2.gz RDPZCZBVYQJXBH-NSHDSACASA-N 1 0 364.287 3.324 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000834828415 729837466 /nfs/dbraw/zinc/83/74/66/729837466.db2.gz UACOIDOVFQKERT-VQIMIIECSA-N 1 0 358.507 3.364 20 10 FGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834896969 729844943 /nfs/dbraw/zinc/84/49/43/729844943.db2.gz PFLKELISPXHWRZ-HUUCEWRRSA-N 1 0 362.905 3.192 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000834899376 729844958 /nfs/dbraw/zinc/84/49/58/729844958.db2.gz GMBJTTFJSKCSOG-ZRGWGRIASA-N 1 0 352.906 3.378 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000835037554 729851977 /nfs/dbraw/zinc/85/19/77/729851977.db2.gz QNKCILHYVZIHQE-VMPITWQZSA-N 1 0 358.507 3.100 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cc(Cl)ccc1O ZINC000840796958 730175027 /nfs/dbraw/zinc/17/50/27/730175027.db2.gz ICBVKLFYYBHDKW-MLGOLLRUSA-N 1 0 355.862 3.112 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(Cl)c1 ZINC000840897967 730189224 /nfs/dbraw/zinc/18/92/24/730189224.db2.gz WKPPBWSYZRSCEJ-UHFFFAOYSA-N 1 0 352.906 3.479 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840938160 730193871 /nfs/dbraw/zinc/19/38/71/730193871.db2.gz ZWUDKDDMGRSCSM-UHFFFAOYSA-N 1 0 353.871 3.437 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000840956549 730196836 /nfs/dbraw/zinc/19/68/36/730196836.db2.gz WYCLYIVEKBFEME-UHFFFAOYSA-N 1 0 369.870 3.138 20 10 FGCDRO C[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841079956 730208625 /nfs/dbraw/zinc/20/86/25/730208625.db2.gz LWJCGGPUPFUWOL-MRVPVSSYSA-N 1 0 366.097 3.134 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841087438 730209102 /nfs/dbraw/zinc/20/91/02/730209102.db2.gz NMTMPLFWHSLBOU-XJKSGUPXSA-N 1 0 353.304 3.427 20 10 FGCDRO [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000841103282 730211645 /nfs/dbraw/zinc/21/16/45/730211645.db2.gz FWMIUHMEJABLOU-GOEBONIOSA-N 1 0 359.297 3.417 20 10 FGCDRO COc1cc(C)ccc1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000841495927 730249272 /nfs/dbraw/zinc/24/92/72/730249272.db2.gz LZWSWNQCISQUSB-LFIBNONCSA-N 1 0 362.520 3.299 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744984 730269959 /nfs/dbraw/zinc/26/99/59/730269959.db2.gz LVVQLJPLIRIPER-RYUDHWBXSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1O ZINC000841753360 730270660 /nfs/dbraw/zinc/27/06/60/730270660.db2.gz SIAZWQBDXPFPFO-LBPRGKRZSA-N 1 0 365.836 3.267 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H](C[NH3+])C3)cc2Cl)C1 ZINC000841897136 730283949 /nfs/dbraw/zinc/28/39/49/730283949.db2.gz PXEBGNGKGGEEDJ-GDBMZVCRSA-N 1 0 364.921 3.067 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1O ZINC000842919966 730557029 /nfs/dbraw/zinc/55/70/29/730557029.db2.gz OEAKQYSWWKYPIJ-SJCJKPOMSA-N 1 0 372.303 3.291 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000843049203 730574170 /nfs/dbraw/zinc/57/41/70/730574170.db2.gz JGKMILSRFZWJKX-HNNXBMFYSA-N 1 0 352.320 3.233 20 10 FGCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1OC ZINC000843115775 730587795 /nfs/dbraw/zinc/58/77/95/730587795.db2.gz SUEFBRFSEBXKDB-INIZCTEOSA-N 1 0 362.857 3.209 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)NCc1cccs1 ZINC000843428181 730619986 /nfs/dbraw/zinc/61/99/86/730619986.db2.gz QXVVVUCCAZBMSW-CQSZACIVSA-N 1 0 368.886 3.300 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1O ZINC000843429682 730620283 /nfs/dbraw/zinc/62/02/83/730620283.db2.gz ZNRSLIZPWSSLHF-MRXNPFEDSA-N 1 0 358.869 3.492 20 10 FGCDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000846056656 730924325 /nfs/dbraw/zinc/92/43/25/730924325.db2.gz WCSWQQXPGHJEAI-GFCCVEGCSA-N 1 0 358.825 3.210 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C(F)F)cc2F)cc1 ZINC000848395117 731160585 /nfs/dbraw/zinc/16/05/85/731160585.db2.gz YJYWRXSEPGHPRB-MRXNPFEDSA-N 1 0 351.372 3.259 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)cn1 ZINC000848519636 731174839 /nfs/dbraw/zinc/17/48/39/731174839.db2.gz SKLRMTBTLPWXEM-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000848525986 731175199 /nfs/dbraw/zinc/17/51/99/731175199.db2.gz SSQYXPYXPAFFHW-UWVGGRQHSA-N 1 0 373.291 3.117 20 10 FGCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cnc(Cl)n3C)cc2F)C[C@H](C)O1 ZINC000848530016 731176328 /nfs/dbraw/zinc/17/63/28/731176328.db2.gz BBKRDTQRFIOOJQ-STQMWFEESA-N 1 0 366.868 3.116 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)c1O ZINC000848535046 731177093 /nfs/dbraw/zinc/17/70/93/731177093.db2.gz CLHYFNGJGFEOMP-MWLCHTKSSA-N 1 0 368.275 3.477 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)ccc1OC ZINC000850345018 731344813 /nfs/dbraw/zinc/34/48/13/731344813.db2.gz GCXVCRWXNLHKOY-UHFFFAOYSA-N 1 0 355.360 3.330 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(F)c(F)cc3F)cc2)CC1 ZINC000850405838 731353335 /nfs/dbraw/zinc/35/33/35/731353335.db2.gz HAZNSAJNIUPKHJ-UHFFFAOYSA-N 1 0 350.384 3.355 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000850405976 731353469 /nfs/dbraw/zinc/35/34/69/731353469.db2.gz MLVMOQACSXLWHB-UHFFFAOYSA-N 1 0 350.384 3.355 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(C)(C)C(F)F ZINC000850423753 731355531 /nfs/dbraw/zinc/35/55/31/731355531.db2.gz ASGFEXMPKNVHTL-ZFWWWQNUSA-N 1 0 353.457 3.158 20 10 FGCDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850505918 731365965 /nfs/dbraw/zinc/36/59/65/731365965.db2.gz DANPMDPZHOIZGV-ROUUACIJSA-N 1 0 366.571 3.472 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851677913 731483518 /nfs/dbraw/zinc/48/35/18/731483518.db2.gz LFSOZKSAZKDSIZ-CQSZACIVSA-N 1 0 372.307 3.060 20 10 FGCDRO COc1ccc(OC)c(C[NH2+]Cc2c(O)cccc2Br)c1 ZINC000858090805 732179193 /nfs/dbraw/zinc/17/91/93/732179193.db2.gz LSAPVKSVNZATGJ-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858098089 732180277 /nfs/dbraw/zinc/18/02/77/732180277.db2.gz GLRHWMLSGZVCSE-UHFFFAOYSA-N 1 0 369.303 3.281 20 10 FGCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1c(O)cccc1Br ZINC000858122894 732182936 /nfs/dbraw/zinc/18/29/36/732182936.db2.gz UBTFVRRDOXDYNV-UHFFFAOYSA-N 1 0 351.244 3.465 20 10 FGCDRO COc1cccc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1O ZINC000858245945 732196636 /nfs/dbraw/zinc/19/66/36/732196636.db2.gz ZCARFFZWWDNEDI-KRWDZBQOSA-N 1 0 362.857 3.049 20 10 FGCDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1O ZINC000858563894 732227457 /nfs/dbraw/zinc/22/74/57/732227457.db2.gz ADLHVVWHOIVTNN-NSHDSACASA-N 1 0 362.813 3.106 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN(C)CC(F)F)c1O ZINC000858597760 732229957 /nfs/dbraw/zinc/22/99/57/732229957.db2.gz WKJKSILHTBJVRR-SNVBAGLBSA-N 1 0 351.235 3.311 20 10 FGCDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000862348912 732812988 /nfs/dbraw/zinc/81/29/88/732812988.db2.gz YMNNOJIUOHFBOW-ZANVPECISA-N 1 0 368.193 3.290 20 10 FGCDRO C[N@@H+](Cc1c(O)cccc1Br)C[C@H](O)Cc1ccccc1 ZINC000862377290 732819753 /nfs/dbraw/zinc/81/97/53/732819753.db2.gz PBNPMTXXEXMDIW-CQSZACIVSA-N 1 0 350.256 3.190 20 10 FGCDRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000862526567 732843349 /nfs/dbraw/zinc/84/33/49/732843349.db2.gz XHBCOMCKGHGAKT-UHFFFAOYSA-N 1 0 358.866 3.019 20 10 FGCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC000876713811 736135828 /nfs/dbraw/zinc/13/58/28/736135828.db2.gz TZIVBUQLELPRMX-MRXNPFEDSA-N 1 0 351.372 3.088 20 10 FGCDRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(O)c1 ZINC000876971350 736169680 /nfs/dbraw/zinc/16/96/80/736169680.db2.gz OCPVIZHYTHVSAC-UHFFFAOYSA-N 1 0 362.495 3.019 20 10 FGCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(Cl)ccc3O)CC2)cn1 ZINC000877612025 736692931 /nfs/dbraw/zinc/69/29/31/736692931.db2.gz BEHTVBMOPHDVNT-UHFFFAOYSA-N 1 0 362.817 3.107 20 10 FGCDRO CO[C@@H]1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687899 736705192 /nfs/dbraw/zinc/70/51/92/736705192.db2.gz NFAMACDFUJXEJN-HUUCEWRRSA-N 1 0 359.857 3.050 20 10 FGCDRO O=c1oc2ccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cc2o1 ZINC000882901158 737502340 /nfs/dbraw/zinc/50/23/40/737502340.db2.gz AOZSZVGXCDPCLI-UHFFFAOYSA-N 1 0 356.447 3.229 20 10 FGCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000885940648 739201014 /nfs/dbraw/zinc/20/10/14/739201014.db2.gz OJJJFVWKRKPCCK-AEFFLSMTSA-N 1 0 350.478 3.224 20 10 FGCDRO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000886750891 739291503 /nfs/dbraw/zinc/29/15/03/739291503.db2.gz AUODOQRAGOMGEK-CQSZACIVSA-N 1 0 358.511 3.004 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c(O)c1OC ZINC000892426005 739999508 /nfs/dbraw/zinc/99/95/08/739999508.db2.gz QXPMRRJEKZSVIG-HNNXBMFYSA-N 1 0 362.495 3.398 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(Br)cc2)c(O)c1OC ZINC000892697624 740033851 /nfs/dbraw/zinc/03/38/51/740033851.db2.gz UOJQUISXVWQKDZ-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)c(O)c1 ZINC000894186429 742250023 /nfs/dbraw/zinc/25/00/23/742250023.db2.gz WTOZOHGZBRVMPC-UHFFFAOYSA-N 1 0 355.360 3.170 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000894501712 742292616 /nfs/dbraw/zinc/29/26/16/742292616.db2.gz FNVFKRSIJGCQFV-SECBINFHSA-N 1 0 353.216 3.115 20 10 FGCDRO CCOc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)o1 ZINC000894842983 742341811 /nfs/dbraw/zinc/34/18/11/742341811.db2.gz FTCSIXRPISTRNM-UHFFFAOYSA-N 1 0 352.381 3.083 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H]3C[C@]3(C)Br)C2)cc1 ZINC000895006083 742362744 /nfs/dbraw/zinc/36/27/44/742362744.db2.gz KLFMGMFEHWBYAM-KEYYUXOJSA-N 1 0 353.304 3.285 20 10 FGCDRO COC(=O)c1sccc1C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000895007062 742363399 /nfs/dbraw/zinc/36/33/99/742363399.db2.gz XFADXQVYLIFHDI-AWEZNQCLSA-N 1 0 360.479 3.159 20 10 FGCDRO CCOC(=O)c1csc(CC2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000895558835 742426566 /nfs/dbraw/zinc/42/65/66/742426566.db2.gz XNIUWZLUOROGTD-UHFFFAOYSA-N 1 0 360.479 3.480 20 10 FGCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000895714574 742445924 /nfs/dbraw/zinc/44/59/24/742445924.db2.gz VFKYHARFYUHWIY-DOOKAGJSSA-N 1 0 355.356 3.479 20 10 FGCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000896499424 742559590 /nfs/dbraw/zinc/55/95/90/742559590.db2.gz OHLUULWJSOWMPU-UHFFFAOYSA-N 1 0 360.479 3.403 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)c(C(F)(F)F)c1 ZINC000898114888 742748013 /nfs/dbraw/zinc/74/80/13/742748013.db2.gz HDFSMTUPYGENDB-MRXNPFEDSA-N 1 0 358.404 3.199 20 10 FGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898722946 742826045 /nfs/dbraw/zinc/82/60/45/742826045.db2.gz AHDMHXJUMLGCQX-LLVKDONJSA-N 1 0 356.651 3.109 20 10 FGCDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)c1nncn1C ZINC000903063939 743800867 /nfs/dbraw/zinc/80/08/67/743800867.db2.gz JLOHQIJCSHVYMJ-YGRLFVJLSA-N 1 0 353.264 3.331 20 10 FGCDRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000922389223 758910436 /nfs/dbraw/zinc/91/04/36/758910436.db2.gz SIGXTKAONBNISJ-XYVMCAHJSA-N 1 0 373.324 3.268 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000922535475 758945528 /nfs/dbraw/zinc/94/55/28/758945528.db2.gz RVKOKPDVGNJHPK-PPUGGXLSSA-N 1 0 362.267 3.337 20 10 FGCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)C2)n1 ZINC000922863084 759018106 /nfs/dbraw/zinc/01/81/06/759018106.db2.gz XQLNSWPGHVPTBU-YPMHNXCESA-N 1 0 350.413 3.402 20 10 FGCDRO Cc1ncsc1CN(Cc1ccc(N(C)C)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC000923338653 759102769 /nfs/dbraw/zinc/10/27/69/759102769.db2.gz DOUSBSLGHYHXFD-SFHVURJKSA-N 1 0 358.555 3.438 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3[C@H](C)COC[C@H]3C)cc2F)C[C@H](C)O1 ZINC000924716208 759375996 /nfs/dbraw/zinc/37/59/96/759375996.db2.gz NVZFUOQCSHRKKU-FPCVCCKLSA-N 1 0 350.478 3.200 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000925778159 759535365 /nfs/dbraw/zinc/53/53/65/759535365.db2.gz RRHHCCFFZQXPTK-DTWKUNHWSA-N 1 0 367.209 3.189 20 10 FGCDRO CC[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000926909189 759843663 /nfs/dbraw/zinc/84/36/63/759843663.db2.gz WGLRXCDANPAAGQ-LJQANCHMSA-N 1 0 360.523 3.440 20 10 FGCDRO Oc1ccccc1C[N@H+](CCOC1CCSCC1)C[C@@H]1CCCO1 ZINC000929970894 760503709 /nfs/dbraw/zinc/50/37/09/760503709.db2.gz LPEQAUKHNITINW-SFHVURJKSA-N 1 0 351.512 3.285 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090055579 494434040 /nfs/dbraw/zinc/43/40/40/494434040.db2.gz SJHIDTZYUVZVCZ-MGPUTAFESA-N 1 0 350.478 3.254 20 10 FGCDRO CSC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000090113801 494443841 /nfs/dbraw/zinc/44/38/41/494443841.db2.gz KZKLAACPMINNJV-HNNXBMFYSA-N 1 0 368.518 3.225 20 10 FGCDRO CSC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000090113804 494444346 /nfs/dbraw/zinc/44/43/46/494444346.db2.gz KZKLAACPMINNJV-OAHLLOKOSA-N 1 0 368.518 3.225 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3cc(C)c([N+](=O)[O-])cn3)cc2F)CC1 ZINC000074748753 494590698 /nfs/dbraw/zinc/59/06/98/494590698.db2.gz RAYPKBDHJKQJFK-UHFFFAOYSA-N 1 0 373.432 3.191 20 10 FGCDRO Cc1csc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000092481766 494640225 /nfs/dbraw/zinc/64/02/25/494640225.db2.gz OUFATAPGQJRUKX-UHFFFAOYSA-N 1 0 372.538 3.000 20 10 FGCDRO C[NH+](C)Cc1cccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000108691672 494764423 /nfs/dbraw/zinc/76/44/23/494764423.db2.gz BVHDFUWIWHKUHG-DHZHZOJOSA-N 1 0 365.477 3.237 20 10 FGCDRO CC1CCN(c2ccc(CNc3cc(-n4cccn4)nc(N)[nH+]3)cc2)CC1 ZINC000092896655 494784202 /nfs/dbraw/zinc/78/42/02/494784202.db2.gz LNQROKWVVDVCMA-UHFFFAOYSA-N 1 0 363.469 3.093 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c1O ZINC000093010144 494807916 /nfs/dbraw/zinc/80/79/16/494807916.db2.gz CRKLVSHFABSVEI-UHFFFAOYSA-N 1 0 358.438 3.087 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000093385922 494883068 /nfs/dbraw/zinc/88/30/68/494883068.db2.gz HQNMKYJUKZTCTL-UHFFFAOYSA-N 1 0 360.479 3.201 20 10 FGCDRO COc1ccc(N2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)CC2)cc1 ZINC000111204436 495049290 /nfs/dbraw/zinc/04/92/90/495049290.db2.gz QESYTOGVMOHYIV-UHFFFAOYSA-N 1 0 363.461 3.249 20 10 FGCDRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236320 495052974 /nfs/dbraw/zinc/05/29/74/495052974.db2.gz JDVBPZVFGSETLX-UHFFFAOYSA-N 1 0 364.392 3.084 20 10 FGCDRO Cc1ncsc1C(=O)NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000123339130 495116584 /nfs/dbraw/zinc/11/65/84/495116584.db2.gz RCFSAEREMPUUCY-UHFFFAOYSA-N 1 0 365.886 3.205 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1nc2ccccc2n1C ZINC000124277783 495261843 /nfs/dbraw/zinc/26/18/43/495261843.db2.gz WRZLCHKSOOWXFG-HNNXBMFYSA-N 1 0 368.456 3.400 20 10 FGCDRO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1O ZINC000179527092 495629141 /nfs/dbraw/zinc/62/91/41/495629141.db2.gz FVAPPEBYRLRCHS-QGZVFWFLSA-N 1 0 354.450 3.000 20 10 FGCDRO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000179581386 495648879 /nfs/dbraw/zinc/64/88/79/495648879.db2.gz ONCGNJNIZFVKOD-OAHLLOKOSA-N 1 0 361.511 3.264 20 10 FGCDRO Cc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(O)c1O ZINC000182978382 495782361 /nfs/dbraw/zinc/78/23/61/495782361.db2.gz VDEVGOQRJQBYIW-UHFFFAOYSA-N 1 0 369.465 3.180 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(NC(C)=O)c3)CC2)cc1 ZINC000155461797 495963326 /nfs/dbraw/zinc/96/33/26/495963326.db2.gz YEYWINGJOYMUCH-UHFFFAOYSA-N 1 0 353.466 3.412 20 10 FGCDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(Br)cc1O ZINC000186855808 496182273 /nfs/dbraw/zinc/18/22/73/496182273.db2.gz OAFAOMLLEOOXSG-LLVKDONJSA-N 1 0 364.305 3.020 20 10 FGCDRO C[C@H](CC(=O)N(C)C)[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000152955144 496306264 /nfs/dbraw/zinc/30/62/64/496306264.db2.gz CDAQSWIPRDWCRL-CYBMUJFWSA-N 1 0 373.419 3.010 20 10 FGCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187173552 496325324 /nfs/dbraw/zinc/32/53/24/496325324.db2.gz WLFXBEGTTBSWFQ-GFCCVEGCSA-N 1 0 369.303 3.372 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000178209167 496371055 /nfs/dbraw/zinc/37/10/55/496371055.db2.gz REKPXOWTOAIGNR-OAHLLOKOSA-N 1 0 372.440 3.284 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2O)cc1O ZINC000181377392 496372079 /nfs/dbraw/zinc/37/20/79/496372079.db2.gz VMJUSQROPAUEPJ-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CN1C1CC1 ZINC000157746122 496544641 /nfs/dbraw/zinc/54/46/41/496544641.db2.gz YXMWRPBZQBRSJV-HOCLYGCPSA-N 1 0 365.468 3.472 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CN1C1CC1 ZINC000157746270 496544912 /nfs/dbraw/zinc/54/49/12/496544912.db2.gz YXMWRPBZQBRSJV-GDBMZVCRSA-N 1 0 365.468 3.472 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)c3cc(C)oc3C)CC2)cc1 ZINC000164123411 496587231 /nfs/dbraw/zinc/58/72/31/496587231.db2.gz GRSOTJQXUFHFGI-NRFANRHFSA-N 1 0 358.482 3.371 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185049056 496636988 /nfs/dbraw/zinc/63/69/88/496636988.db2.gz AFVLCIFCORSCSK-DNVCBOLYSA-N 1 0 354.450 3.415 20 10 FGCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Br)cc1O ZINC000185062036 496643038 /nfs/dbraw/zinc/64/30/38/496643038.db2.gz XGOOMXHCOVYSFS-GFCCVEGCSA-N 1 0 355.276 3.208 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000273365471 496783836 /nfs/dbraw/zinc/78/38/36/496783836.db2.gz BGLJOIODRSMWKQ-LIRRHRJNSA-N 1 0 351.450 3.190 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c(O)c1 ZINC000273374879 496787709 /nfs/dbraw/zinc/78/77/09/496787709.db2.gz HAVYDGAHJXKFIU-INIZCTEOSA-N 1 0 354.450 3.024 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000278372701 497091282 /nfs/dbraw/zinc/09/12/82/497091282.db2.gz ZSXXVPZNZBEOOR-HIFRSBDPSA-N 1 0 350.459 3.278 20 10 FGCDRO Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000261602967 497417399 /nfs/dbraw/zinc/41/73/99/497417399.db2.gz ASRAUZZDCZUJBS-VQTJNVASSA-N 1 0 360.461 3.056 20 10 FGCDRO COc1cc(O)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000271717693 497427509 /nfs/dbraw/zinc/42/75/09/497427509.db2.gz CLSUGRPLUKGAGO-QGZVFWFLSA-N 1 0 373.449 3.296 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1O ZINC000277240640 497785965 /nfs/dbraw/zinc/78/59/65/497785965.db2.gz OEKIAGKQFLCWOR-MRXNPFEDSA-N 1 0 354.516 3.026 20 10 FGCDRO COCC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)Cc1ccccn1 ZINC000296032272 497897877 /nfs/dbraw/zinc/89/78/77/497897877.db2.gz SBLDEBKPAGDJBR-UHFFFAOYSA-N 1 0 369.509 3.345 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(O)c1 ZINC000284853790 497923011 /nfs/dbraw/zinc/92/30/11/497923011.db2.gz AHJJHRKAGFILCS-HNNXBMFYSA-N 1 0 368.543 3.252 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000296177566 497944951 /nfs/dbraw/zinc/94/49/51/497944951.db2.gz XQBBAUTZZPBCKP-UHFFFAOYSA-N 1 0 360.523 3.406 20 10 FGCDRO COc1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000364449500 497962535 /nfs/dbraw/zinc/96/25/35/497962535.db2.gz USZVCQTVQUGHAJ-PHZGNYQRSA-N 1 0 362.470 3.421 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H](c2nncn2C)C(C)C)c1O ZINC000289532681 498182290 /nfs/dbraw/zinc/18/22/90/498182290.db2.gz PZEFZVYIZHXUSM-ZDUSSCGKSA-N 1 0 353.264 3.079 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1 ZINC000360054176 498241388 /nfs/dbraw/zinc/24/13/88/498241388.db2.gz ASKGDHJAYJRCIC-UYAOXDASSA-N 1 0 366.509 3.238 20 10 FGCDRO C[C@@](CO)([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)cc1 ZINC000289715935 498261198 /nfs/dbraw/zinc/26/11/98/498261198.db2.gz PBZJXOQRWWXIES-INIZCTEOSA-N 1 0 354.219 3.291 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000360345162 498267998 /nfs/dbraw/zinc/26/79/98/498267998.db2.gz PSAUNFGKSUZTNI-HNNXBMFYSA-N 1 0 352.862 3.031 20 10 FGCDRO Cc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)c(C)n1-c1ccccn1 ZINC000297164885 498339991 /nfs/dbraw/zinc/33/99/91/498339991.db2.gz MYSQOLQVDUBYGD-UHFFFAOYSA-N 1 0 352.482 3.236 20 10 FGCDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)/C=C/c1cnc2ccccc2n1 ZINC000365217655 498356380 /nfs/dbraw/zinc/35/63/80/498356380.db2.gz GFAVTZHYDFDNHL-RCMYXZNBSA-N 1 0 360.417 3.088 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000282031770 498364032 /nfs/dbraw/zinc/36/40/32/498364032.db2.gz FLZUBBWZKOPUSE-OAQYLSRUSA-N 1 0 358.526 3.334 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761924 498428188 /nfs/dbraw/zinc/42/81/88/498428188.db2.gz GDGSNEISWFRAMI-MRXNPFEDSA-N 1 0 353.422 3.206 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000297401039 498436005 /nfs/dbraw/zinc/43/60/05/498436005.db2.gz SKVIJEJYEPRYDN-HJOIGYKYSA-N 1 0 352.544 3.397 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Cl)c1[O-] ZINC000287540850 498791234 /nfs/dbraw/zinc/79/12/34/498791234.db2.gz FAQSVJKJSCNRRL-HUUCEWRRSA-N 1 0 362.861 3.015 20 10 FGCDRO COc1ccc(F)cc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000291562193 498991815 /nfs/dbraw/zinc/99/18/15/498991815.db2.gz NTXJOIFRYCGYCF-GDNBJRDFSA-N 1 0 366.483 3.130 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c(O)c1 ZINC000283884520 499005882 /nfs/dbraw/zinc/00/58/82/499005882.db2.gz CGQKEJHCNHGOAW-IAGOWNOFSA-N 1 0 355.482 3.480 20 10 FGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C2 ZINC000363871026 499033416 /nfs/dbraw/zinc/03/34/16/499033416.db2.gz ZIXWEVCUDAXDCF-IINYFYTJSA-N 1 0 362.271 3.461 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(CO)CCOCC2)cc1 ZINC000295667828 499076075 /nfs/dbraw/zinc/07/60/75/499076075.db2.gz JWZDOLJUTJEJSW-UHFFFAOYSA-N 1 0 360.523 3.263 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000369910975 499150729 /nfs/dbraw/zinc/15/07/29/499150729.db2.gz WPORSPUQHLUPFA-HGQUKEQDSA-N 1 0 360.479 3.475 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000367357788 499187749 /nfs/dbraw/zinc/18/77/49/499187749.db2.gz YGBFXSLIFDFXMS-OAHLLOKOSA-N 1 0 370.497 3.469 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000370373586 499214323 /nfs/dbraw/zinc/21/43/23/499214323.db2.gz JXSMKOWVROMULG-DOTOQJQBSA-N 1 0 356.441 3.273 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3cnc([C@@H](C)O)s3)CC2)cc1 ZINC000368016730 499255227 /nfs/dbraw/zinc/25/52/27/499255227.db2.gz LDDLMHLUZICLEL-CQSZACIVSA-N 1 0 361.511 3.306 20 10 FGCDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)cc1 ZINC000372423370 499432956 /nfs/dbraw/zinc/43/29/56/499432956.db2.gz XIEWRWWNQRLCGE-HNNXBMFYSA-N 1 0 373.522 3.291 20 10 FGCDRO COCc1nccc([C@H]2CCC[N@@H+]([C@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000373609416 499479823 /nfs/dbraw/zinc/47/98/23/499479823.db2.gz NZXIYBUFECDJRM-CABCVRRESA-N 1 0 357.454 3.278 20 10 FGCDRO CCn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)C1CCOCC1 ZINC000375245128 499498698 /nfs/dbraw/zinc/49/86/98/499498698.db2.gz PBFSGXWWQIWLRZ-FQEVSTJZSA-N 1 0 354.498 3.153 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1 ZINC000378336396 499502908 /nfs/dbraw/zinc/50/29/08/499502908.db2.gz VVMQUZWLKDERML-UHFFFAOYSA-N 1 0 367.497 3.174 20 10 FGCDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000378378357 499509083 /nfs/dbraw/zinc/50/90/83/499509083.db2.gz PQMLICYMUHAFDA-FGZHOGPDSA-N 1 0 368.525 3.499 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1O ZINC000377251340 499673924 /nfs/dbraw/zinc/67/39/24/499673924.db2.gz QCXSXDATJIWVRC-ZDUSSCGKSA-N 1 0 370.287 3.412 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(O)c1 ZINC000377300557 499678009 /nfs/dbraw/zinc/67/80/09/499678009.db2.gz WGENLGRVPJOQIX-RXVVDRJESA-N 1 0 355.482 3.359 20 10 FGCDRO COC[C@]1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)OCCc2ccccc21 ZINC000377936357 499749403 /nfs/dbraw/zinc/74/94/03/499749403.db2.gz DVBSYEMYQQQQTH-BTYIYWSLSA-N 1 0 357.450 3.166 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CS[C@H](C)C2)C1 ZINC000412614890 499869265 /nfs/dbraw/zinc/86/92/65/499869265.db2.gz QVQVXQLFZXFYAT-CVEARBPZSA-N 1 0 371.550 3.418 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418098982 500229373 /nfs/dbraw/zinc/22/93/73/500229373.db2.gz MSAJZKPUBFTDQI-IRXDYDNUSA-N 1 0 354.498 3.018 20 10 FGCDRO CCCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@@H]1CC[NH2+]C1 ZINC000579487733 506187326 /nfs/dbraw/zinc/18/73/26/506187326.db2.gz GQKLBZVJIBMRNA-GOSISDBHSA-N 1 0 357.498 3.119 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCS2)C1 ZINC000435820176 501033291 /nfs/dbraw/zinc/03/32/91/501033291.db2.gz ZXGZQWAVOULWHY-MRXNPFEDSA-N 1 0 371.550 3.420 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000471811921 502143555 /nfs/dbraw/zinc/14/35/55/502143555.db2.gz TUYULTZRACHDFR-QGZVFWFLSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000472279325 502296651 /nfs/dbraw/zinc/29/66/51/502296651.db2.gz NVIVOSZGAVDXJZ-SFHVURJKSA-N 1 0 368.525 3.360 20 10 FGCDRO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000490549801 503194386 /nfs/dbraw/zinc/19/43/86/503194386.db2.gz YZRXQGCBKLWEFU-UHFFFAOYSA-N 1 0 359.514 3.366 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CC=CC2)C1 ZINC000529710991 503669705 /nfs/dbraw/zinc/66/97/05/503669705.db2.gz YYUDIWDQOVLSQK-UHFFFAOYSA-N 1 0 351.494 3.490 20 10 FGCDRO C[NH+](C)CCNC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000527767927 503934008 /nfs/dbraw/zinc/93/40/08/503934008.db2.gz ZSPRVJRLFBCFCZ-UHFFFAOYSA-N 1 0 365.836 3.088 20 10 FGCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528289750 504151412 /nfs/dbraw/zinc/15/14/12/504151412.db2.gz UQWBNHSUQKORES-KRWDZBQOSA-N 1 0 357.498 3.087 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@H](C)[C@H]3C)ccc21 ZINC000538921036 504416860 /nfs/dbraw/zinc/41/68/60/504416860.db2.gz DKYNPTVDUDOYJZ-IAGOWNOFSA-N 1 0 357.498 3.069 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1cc(Br)ccc1O ZINC000037781994 695755282 /nfs/dbraw/zinc/75/52/82/695755282.db2.gz NHDMNELAUURJKC-RISCZKNCSA-N 1 0 355.276 3.206 20 10 FGCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)cc1F ZINC000084866407 700364053 /nfs/dbraw/zinc/36/40/53/700364053.db2.gz HHDIFQGHUUGYBX-SFHVURJKSA-N 1 0 364.848 3.343 20 10 FGCDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c1O ZINC000093359970 700450847 /nfs/dbraw/zinc/45/08/47/700450847.db2.gz KHWJBLUTSKYWJA-MRXNPFEDSA-N 1 0 360.841 3.292 20 10 FGCDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccc1O ZINC000109771694 700536421 /nfs/dbraw/zinc/53/64/21/700536421.db2.gz IEVKILGLAAJONY-LLVKDONJSA-N 1 0 363.801 3.413 20 10 FGCDRO C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1ccccc1O ZINC000111235418 700547004 /nfs/dbraw/zinc/54/70/04/700547004.db2.gz LPOYSXLTJRCEQU-UHFFFAOYSA-N 1 0 367.276 3.490 20 10 FGCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3c(O)cccc3Cl)cn2)C[C@H](C)O1 ZINC000113322395 700571004 /nfs/dbraw/zinc/57/10/04/700571004.db2.gz IITKFYNMACHWRG-KBPBESRZSA-N 1 0 361.873 3.344 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000119476868 700630290 /nfs/dbraw/zinc/63/02/90/700630290.db2.gz JZDQFOIHUJJWBK-HUUCEWRRSA-N 1 0 350.459 3.326 20 10 FGCDRO Oc1cccc(Cl)c1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000120052444 700646912 /nfs/dbraw/zinc/64/69/12/700646912.db2.gz UQNHQMJGAQOUNX-UHFFFAOYSA-N 1 0 366.811 3.132 20 10 FGCDRO COc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1F ZINC000126477294 700748694 /nfs/dbraw/zinc/74/86/94/700748694.db2.gz DFXLXBYFKXOTGK-GDNBJRDFSA-N 1 0 366.483 3.130 20 10 FGCDRO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000127413041 700761317 /nfs/dbraw/zinc/76/13/17/700761317.db2.gz UKGKLLJVQKANOU-KRWDZBQOSA-N 1 0 360.523 3.408 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000129917773 700793766 /nfs/dbraw/zinc/79/37/66/700793766.db2.gz ULJJKTGBWSDWQD-NSHDSACASA-N 1 0 356.260 3.164 20 10 FGCDRO C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000132118240 700824046 /nfs/dbraw/zinc/82/40/46/700824046.db2.gz BJRPXKIZDBHWKL-OAHLLOKOSA-N 1 0 353.938 3.415 20 10 FGCDRO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000151756277 704936379 /nfs/dbraw/zinc/93/63/79/704936379.db2.gz PPVNTYMWYPOJSV-GFCCVEGCSA-N 1 0 353.392 3.324 20 10 FGCDRO CC(C)[NH+](CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000156240321 705107462 /nfs/dbraw/zinc/10/74/62/705107462.db2.gz GWGHBRDUUFLSPI-KRWDZBQOSA-N 1 0 351.510 3.432 20 10 FGCDRO CN(c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1)C1CCCCC1 ZINC000182676347 705856343 /nfs/dbraw/zinc/85/63/43/705856343.db2.gz WWPVGLWYGRSWTQ-KRWDZBQOSA-N 1 0 350.528 3.122 20 10 FGCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]21 ZINC000184240085 705925227 /nfs/dbraw/zinc/92/52/27/705925227.db2.gz BBJIJOMFTWHUAT-VBNZEHGJSA-N 1 0 350.434 3.266 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000185455802 712694705 /nfs/dbraw/zinc/69/47/05/712694705.db2.gz DLNQNAUYWYHHQO-ZIAGYGMSSA-N 1 0 350.459 3.451 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCSCC1 ZINC000187051213 712731756 /nfs/dbraw/zinc/73/17/56/712731756.db2.gz HSXBWSRILPDKJE-AWEZNQCLSA-N 1 0 352.519 3.408 20 10 FGCDRO CN(CC[NH2+]Cc1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000227760533 713573579 /nfs/dbraw/zinc/57/35/79/713573579.db2.gz NLKCSNWDEQSMPB-UHFFFAOYSA-N 1 0 359.264 3.111 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@H](C)C1 ZINC000248493078 713651883 /nfs/dbraw/zinc/65/18/83/713651883.db2.gz JUDBJQKFGAVJOQ-MDZRGWNJSA-N 1 0 350.503 3.188 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000779190158 724398847 /nfs/dbraw/zinc/39/88/47/724398847.db2.gz FVQFJCYCLVZHTE-UHFFFAOYSA-N 1 0 363.845 3.278 20 10 FGCDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000780893851 724512706 /nfs/dbraw/zinc/51/27/06/724512706.db2.gz UEWAIJYDGOBHNK-NSHDSACASA-N 1 0 356.260 3.237 20 10 FGCDRO CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1cc(Br)ccc1O ZINC000781908398 724610485 /nfs/dbraw/zinc/61/04/85/724610485.db2.gz MKGSXZICCOIIAA-UHFFFAOYSA-N 1 0 367.243 3.292 20 10 FGCDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782654304 724690518 /nfs/dbraw/zinc/69/05/18/724690518.db2.gz OSOTZYHVZCWVLP-INIZCTEOSA-N 1 0 359.436 3.278 20 10 FGCDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000782777213 724699928 /nfs/dbraw/zinc/69/99/28/724699928.db2.gz KXYBGMXIFYQJMZ-BEFAXECRSA-N 1 0 350.478 3.254 20 10 FGCDRO COc1cccc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1O ZINC000783720483 724781287 /nfs/dbraw/zinc/78/12/87/724781287.db2.gz VMZASEAVVZNFAO-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO COCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000731474485 722475727 /nfs/dbraw/zinc/47/57/27/722475727.db2.gz XESIZZNKZXGHAH-UHFFFAOYSA-N 1 0 363.889 3.056 20 10 FGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncnc3c2CCC3)C1 ZINC000732048671 722481000 /nfs/dbraw/zinc/48/10/00/722481000.db2.gz FPDOBBSHNNALGI-OAHLLOKOSA-N 1 0 358.873 3.401 20 10 FGCDRO COc1cc(C)nc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000735487045 722516694 /nfs/dbraw/zinc/51/66/94/722516694.db2.gz ANKIZVOCLQQTFS-OAHLLOKOSA-N 1 0 362.861 3.229 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735744691 722519029 /nfs/dbraw/zinc/51/90/29/722519029.db2.gz WIDWUWZRSYEMQZ-INIZCTEOSA-N 1 0 357.420 3.126 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000742377602 722556565 /nfs/dbraw/zinc/55/65/65/722556565.db2.gz WFMCROVSKTUYOT-MAZHCROVSA-N 1 0 370.287 3.457 20 10 FGCDRO COc1cccc(C[N@H+](CCO)Cc2cc(Br)cs2)c1O ZINC000756117892 722961026 /nfs/dbraw/zinc/96/10/26/722961026.db2.gz BYCMESKQVDYTAQ-UHFFFAOYSA-N 1 0 372.284 3.219 20 10 FGCDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cc1 ZINC000756394194 722963837 /nfs/dbraw/zinc/96/38/37/722963837.db2.gz CGRYWFQVAQBHCH-NSHDSACASA-N 1 0 363.255 3.365 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000756511613 722965975 /nfs/dbraw/zinc/96/59/75/722965975.db2.gz QYXGNKUEQIEZRI-WBMJQRKESA-N 1 0 363.454 3.414 20 10 FGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000756529584 722966286 /nfs/dbraw/zinc/96/62/86/722966286.db2.gz SEECBYZAUMUMJM-ZYHUDNBSSA-N 1 0 357.248 3.036 20 10 FGCDRO C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(Br)cc1O ZINC000756557908 722966859 /nfs/dbraw/zinc/96/68/59/722966859.db2.gz XUKRFRKZYKENSM-LBPRGKRZSA-N 1 0 355.276 3.208 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)ccc1O ZINC000756583871 722967199 /nfs/dbraw/zinc/96/71/99/722967199.db2.gz RIDIQDFNFLTGED-SGMGOOAPSA-N 1 0 369.303 3.452 20 10 FGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)c1 ZINC000762101350 723214922 /nfs/dbraw/zinc/21/49/22/723214922.db2.gz VPFUHEBNUZFRJW-UHFFFAOYSA-N 1 0 351.372 3.144 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1cccc(Br)c1 ZINC000763441941 723343682 /nfs/dbraw/zinc/34/36/82/723343682.db2.gz IILFVMYUIOBGLY-CYBMUJFWSA-N 1 0 368.246 3.235 20 10 FGCDRO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000792979428 723389375 /nfs/dbraw/zinc/38/93/75/723389375.db2.gz IIMXEYCYOATJNF-MRXNPFEDSA-N 1 0 368.905 3.189 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2O)c(O)c1 ZINC000793387335 723432834 /nfs/dbraw/zinc/43/28/34/723432834.db2.gz DLBWTGBNLCPMMH-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO CC[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)ccc1O ZINC000793565159 723449407 /nfs/dbraw/zinc/44/94/07/723449407.db2.gz BZWNORPDEGPGQW-NOLJZWGESA-N 1 0 374.319 3.353 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000793610811 723454695 /nfs/dbraw/zinc/45/46/95/723454695.db2.gz YHOPZXWNEQAJOC-CJNGLKHVSA-N 1 0 362.436 3.019 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794807157 723546932 /nfs/dbraw/zinc/54/69/32/723546932.db2.gz KNQJGQMUJXXYHT-UGSOOPFHSA-N 1 0 351.393 3.459 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000794830250 723548128 /nfs/dbraw/zinc/54/81/28/723548128.db2.gz UQVHGTRBBTZMTC-ZBEGNZNMSA-N 1 0 363.255 3.340 20 10 FGCDRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978137 723549483 /nfs/dbraw/zinc/54/94/83/723549483.db2.gz LTQCVFHXZIONEU-LPHOPBHVSA-N 1 0 352.544 3.226 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccs1 ZINC000765978189 723549532 /nfs/dbraw/zinc/54/95/32/723549532.db2.gz MFHRNDFCKIPROJ-KRWDZBQOSA-N 1 0 364.536 3.224 20 10 FGCDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308460 723632018 /nfs/dbraw/zinc/63/20/18/723632018.db2.gz CHSNPFQBOBWDSQ-NRFANRHFSA-N 1 0 356.535 3.453 20 10 FGCDRO C[N@H+](Cc1cc(Br)cs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439874 723657518 /nfs/dbraw/zinc/65/75/18/723657518.db2.gz OMABRXOUOWPSSO-CQSZACIVSA-N 1 0 370.268 3.274 20 10 FGCDRO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439948 723657550 /nfs/dbraw/zinc/65/75/50/723657550.db2.gz AUAKGLFUABBJHT-INIZCTEOSA-N 1 0 353.340 3.469 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1F ZINC000769196817 723679317 /nfs/dbraw/zinc/67/93/17/723679317.db2.gz ZNSOQKGBFROJPZ-HNNXBMFYSA-N 1 0 351.466 3.238 20 10 FGCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769334754 723682726 /nfs/dbraw/zinc/68/27/26/723682726.db2.gz QXFLADIUIFYKOJ-OAHLLOKOSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1cccc(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1O ZINC000769563729 723689863 /nfs/dbraw/zinc/68/98/63/723689863.db2.gz VZJDPPLVRQXUDB-UHFFFAOYSA-N 1 0 352.475 3.384 20 10 FGCDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000770668035 723718731 /nfs/dbraw/zinc/71/87/31/723718731.db2.gz UWILQOAIGQHAQB-CYBMUJFWSA-N 1 0 350.413 3.045 20 10 FGCDRO Cc1noc(CCC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC000772961145 723773363 /nfs/dbraw/zinc/77/33/63/723773363.db2.gz ZAUZWXZRCLQOGB-CYBMUJFWSA-N 1 0 364.877 3.151 20 10 FGCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000773921610 723839319 /nfs/dbraw/zinc/83/93/19/723839319.db2.gz LOGSHFAQZRFDJX-IBGZPJMESA-N 1 0 351.418 3.145 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=S)NC(C)(C)CC)cc2F)CC1 ZINC000774175592 723866347 /nfs/dbraw/zinc/86/63/47/723866347.db2.gz GIYUGNXKWFBIOG-UHFFFAOYSA-N 1 0 366.550 3.120 20 10 FGCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000774488945 723899240 /nfs/dbraw/zinc/89/92/40/723899240.db2.gz SJPZETNXIKUXHW-XOMBGVMMSA-N 1 0 358.276 3.044 20 10 FGCDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775205425 723970756 /nfs/dbraw/zinc/97/07/56/723970756.db2.gz SULPBTIRAJNBAT-HXUWFJFHSA-N 1 0 350.478 3.443 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(CC(C)C)CC(F)(F)F)c1 ZINC000775373082 723985955 /nfs/dbraw/zinc/98/59/55/723985955.db2.gz MGNGOCJQODWRKC-GFCCVEGCSA-N 1 0 362.392 3.098 20 10 FGCDRO FC(F)(F)c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)[nH]n1 ZINC000799334389 724013282 /nfs/dbraw/zinc/01/32/82/724013282.db2.gz YBDPXJZFROOWND-UHFFFAOYSA-N 1 0 356.417 3.272 20 10 FGCDRO COc1ccc(O)c(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000775736844 724034432 /nfs/dbraw/zinc/03/44/32/724034432.db2.gz MAOUKOZNHQKEFU-UHFFFAOYSA-N 1 0 352.475 3.384 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1O ZINC000776498821 724151615 /nfs/dbraw/zinc/15/16/15/724151615.db2.gz PZAJJPRMFOVWRH-ZWZTZDBGSA-N 1 0 358.276 3.312 20 10 FGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000776807513 724184909 /nfs/dbraw/zinc/18/49/09/724184909.db2.gz ITDYMMXSTFAEMC-HUUCEWRRSA-N 1 0 350.459 3.138 20 10 FGCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800492679 724202464 /nfs/dbraw/zinc/20/24/64/724202464.db2.gz DYQYVDQEFCBBPD-CABCVRRESA-N 1 0 372.962 3.489 20 10 FGCDRO C[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2Cl)C1 ZINC000800493766 724202907 /nfs/dbraw/zinc/20/29/07/724202907.db2.gz QECBKUIOYNDDAT-HOCLYGCPSA-N 1 0 370.946 3.243 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNc3ccc(Br)cn3)cc2)CC1 ZINC000777505811 724233585 /nfs/dbraw/zinc/23/35/85/724233585.db2.gz GSFRPALGZHCORH-UHFFFAOYSA-N 1 0 361.287 3.208 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)cc1C ZINC000808203503 725188219 /nfs/dbraw/zinc/18/82/19/725188219.db2.gz RYKUKPNEKRSSJD-ZFWWWQNUSA-N 1 0 350.459 3.197 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1O ZINC000808718741 725214794 /nfs/dbraw/zinc/21/47/94/725214794.db2.gz QVQUGBSMPMNXLB-BXUZGUMPSA-N 1 0 366.811 3.268 20 10 FGCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639631 725255072 /nfs/dbraw/zinc/25/50/72/725255072.db2.gz MOGNNCPAKBKYID-NSYGIPOTSA-N 1 0 356.535 3.448 20 10 FGCDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000809738292 725263931 /nfs/dbraw/zinc/26/39/31/725263931.db2.gz WIVCVDPHSLELBF-UHFFFAOYSA-N 1 0 350.409 3.243 20 10 FGCDRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000809740953 725264091 /nfs/dbraw/zinc/26/40/91/725264091.db2.gz GVJBWKIOKACVQL-KGLIPLIRSA-N 1 0 357.397 3.248 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCN(c3nccc4sccc43)CC2)c1 ZINC000809787325 725268751 /nfs/dbraw/zinc/26/87/51/725268751.db2.gz YZILZXIHRLTQQJ-UHFFFAOYSA-N 1 0 355.463 3.333 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1O ZINC000809792594 725268915 /nfs/dbraw/zinc/26/89/15/725268915.db2.gz BGUHGTPEMQGFJR-WMLDXEAASA-N 1 0 364.239 3.047 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1O ZINC000809792592 725269076 /nfs/dbraw/zinc/26/90/76/725269076.db2.gz BGUHGTPEMQGFJR-PBHICJAKSA-N 1 0 364.239 3.047 20 10 FGCDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000810144990 725292570 /nfs/dbraw/zinc/29/25/70/725292570.db2.gz OFZHZKCESPPZQY-VQIMIIECSA-N 1 0 362.539 3.003 20 10 FGCDRO CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810239370 725299098 /nfs/dbraw/zinc/29/90/98/725299098.db2.gz ZMJWTXWWBBFYJG-OAHLLOKOSA-N 1 0 358.404 3.317 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2O)c(OC)n1 ZINC000811519347 725372351 /nfs/dbraw/zinc/37/23/51/725372351.db2.gz ZMVWSPJMUGHEMB-UHFFFAOYSA-N 1 0 367.243 3.165 20 10 FGCDRO CCc1nsc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816515004 727170144 /nfs/dbraw/zinc/17/01/44/727170144.db2.gz MMSZAGQVSIGEDQ-UHFFFAOYSA-N 1 0 354.479 3.282 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c(C(F)(F)F)c1 ZINC000817411009 727248594 /nfs/dbraw/zinc/24/85/94/727248594.db2.gz LBBHUOLFVGMJQB-JOCQHMNTSA-N 1 0 357.420 3.153 20 10 FGCDRO CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000817413997 727248868 /nfs/dbraw/zinc/24/88/68/727248868.db2.gz PGNRTJFHZBKTPW-UHFFFAOYSA-N 1 0 369.912 3.177 20 10 FGCDRO COC1([C@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)CCOCC1 ZINC000817419847 727250062 /nfs/dbraw/zinc/25/00/62/727250062.db2.gz LCUNEHKDFLEMQX-LBPRGKRZSA-N 1 0 358.276 3.137 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817587117 727268585 /nfs/dbraw/zinc/26/85/85/727268585.db2.gz UXDDENATUKUOEW-JHJVBQTASA-N 1 0 369.303 3.405 20 10 FGCDRO C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817963985 727289836 /nfs/dbraw/zinc/28/98/36/727289836.db2.gz ZXGLYSJXBQGCIZ-HTQZYQBOSA-N 1 0 366.097 3.163 20 10 FGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3cccc(Cl)c3)C2)cc1 ZINC000819379410 727371994 /nfs/dbraw/zinc/37/19/94/727371994.db2.gz HMWPHZGFASJUFU-YWZLYKJASA-N 1 0 360.885 3.498 20 10 FGCDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNc1ccccc1OCC(F)F ZINC000819461013 727377178 /nfs/dbraw/zinc/37/71/78/727377178.db2.gz YVFVLWIQVDRGQG-MRXNPFEDSA-N 1 0 350.409 3.235 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1O ZINC000821306341 729074313 /nfs/dbraw/zinc/07/43/13/729074313.db2.gz XYNVHKUQFJRBOL-WMLDXEAASA-N 1 0 365.426 3.158 20 10 FGCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000823666725 729297316 /nfs/dbraw/zinc/29/73/16/729297316.db2.gz QQOFBGXNGPHDNE-BLLLJJGKSA-N 1 0 360.445 3.383 20 10 FGCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000823666729 729297444 /nfs/dbraw/zinc/29/74/44/729297444.db2.gz QQOFBGXNGPHDNE-MLGOLLRUSA-N 1 0 360.445 3.383 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)c1 ZINC000823871799 729310609 /nfs/dbraw/zinc/31/06/09/729310609.db2.gz NUSGHABEIBCKOV-OAHLLOKOSA-N 1 0 352.475 3.287 20 10 FGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824601631 729349639 /nfs/dbraw/zinc/34/96/39/729349639.db2.gz KYLZVUFLGOVMGA-GFCCVEGCSA-N 1 0 350.260 3.268 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000824715790 729356320 /nfs/dbraw/zinc/35/63/20/729356320.db2.gz NOBOUCRXUJIXSM-ZNMIVQPWSA-N 1 0 370.287 3.289 20 10 FGCDRO CC1(C2CC[NH+](Cc3ccc(Br)cc3O)CC2)OCCO1 ZINC000824789825 729359018 /nfs/dbraw/zinc/35/90/18/729359018.db2.gz RIDCOEIGUDQLSS-UHFFFAOYSA-N 1 0 356.260 3.130 20 10 FGCDRO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824913903 729364694 /nfs/dbraw/zinc/36/46/94/729364694.db2.gz IHQQYKJNPYCTDK-IBGZPJMESA-N 1 0 359.491 3.458 20 10 FGCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000825158104 729373080 /nfs/dbraw/zinc/37/30/80/729373080.db2.gz DXQFAYMBWRUDAF-FQEVSTJZSA-N 1 0 360.523 3.215 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000825179449 729373792 /nfs/dbraw/zinc/37/37/92/729373792.db2.gz WCKTWMLAIWUSNZ-UHFFFAOYSA-N 1 0 367.209 3.271 20 10 FGCDRO O=C(CC[NH2+]Cc1ccc(Br)cc1O)N1CCCCCC1 ZINC000825423174 729382797 /nfs/dbraw/zinc/38/27/97/729382797.db2.gz YLGYSXBWWJODJK-UHFFFAOYSA-N 1 0 355.276 3.037 20 10 FGCDRO C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(Br)cc1O)C[C@H](C)O2 ZINC000825754079 729394105 /nfs/dbraw/zinc/39/41/05/729394105.db2.gz ZJWAQNJHHMZRMS-IGCXYCKISA-N 1 0 370.287 3.313 20 10 FGCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825885626 729398361 /nfs/dbraw/zinc/39/83/61/729398361.db2.gz IQPRTONTKRRKBV-AWEZNQCLSA-N 1 0 351.752 3.281 20 10 FGCDRO COCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1O ZINC000825903597 729399027 /nfs/dbraw/zinc/39/90/27/729399027.db2.gz MLSDWFMIEOQBBO-UHFFFAOYSA-N 1 0 351.244 3.198 20 10 FGCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000827329303 729428740 /nfs/dbraw/zinc/42/87/40/729428740.db2.gz XQGPXNYNQNACLK-XJKSGUPXSA-N 1 0 364.287 3.389 20 10 FGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000829481473 729484077 /nfs/dbraw/zinc/48/40/77/729484077.db2.gz NOIASHDQBDAMOS-LJQANCHMSA-N 1 0 364.555 3.384 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000835049626 729853041 /nfs/dbraw/zinc/85/30/41/729853041.db2.gz HEWQBPZYEBWKCJ-PLNGDYQASA-N 1 0 350.509 3.021 20 10 FGCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000840715584 730165234 /nfs/dbraw/zinc/16/52/34/730165234.db2.gz RSVDVYFLELVXKR-MRXNPFEDSA-N 1 0 357.523 3.364 20 10 FGCDRO CCOCCCNC(=O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910527 730189894 /nfs/dbraw/zinc/18/98/94/730189894.db2.gz OUOCMXFJFXKBTG-UHFFFAOYSA-N 1 0 368.905 3.109 20 10 FGCDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840923460 730192335 /nfs/dbraw/zinc/19/23/35/730192335.db2.gz UMZHNVZTSABPPZ-UHFFFAOYSA-N 1 0 359.543 3.187 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2sccc2Br)cc1 ZINC000841041761 730205509 /nfs/dbraw/zinc/20/55/09/730205509.db2.gz BKPQVHDNZQRFRJ-AWEZNQCLSA-N 1 0 354.317 3.366 20 10 FGCDRO [NH3+]C1(CNCc2ccc(N3CCCCC3)c(Br)c2)CCC1 ZINC000841048888 730206347 /nfs/dbraw/zinc/20/63/47/730206347.db2.gz MJNNHMKQKUEEIA-UHFFFAOYSA-N 1 0 352.320 3.410 20 10 FGCDRO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1c1ccccc1F ZINC000841104627 730211802 /nfs/dbraw/zinc/21/18/02/730211802.db2.gz UQEIPLLYPAZHKV-GOEBONIOSA-N 1 0 365.246 3.221 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1O ZINC000841745917 730270064 /nfs/dbraw/zinc/27/00/64/730270064.db2.gz BUWYDUALWWGZCM-CMPLNLGQSA-N 1 0 357.784 3.414 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(Cl)cc1O ZINC000841745919 730270125 /nfs/dbraw/zinc/27/01/25/730270125.db2.gz BUWYDUALWWGZCM-PWSUYJOCSA-N 1 0 357.784 3.414 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(Br)cc1O ZINC000841760282 730271575 /nfs/dbraw/zinc/27/15/75/730271575.db2.gz DOJPOGXXZGJAIC-GFCCVEGCSA-N 1 0 372.303 3.373 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N(C)C2CCC([NH3+])CC2)cc1F ZINC000841798101 730275047 /nfs/dbraw/zinc/27/50/47/730275047.db2.gz DPWKYOPKRXBCPD-UHFFFAOYSA-N 1 0 350.482 3.083 20 10 FGCDRO CCn1cncc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841865562 730281736 /nfs/dbraw/zinc/28/17/36/730281736.db2.gz UDPKBRJLCLWFME-AWEZNQCLSA-N 1 0 350.413 3.263 20 10 FGCDRO [NH3+]C1(CNC(=O)NCc2cc(Br)ccc2O)CCCCCC1 ZINC000841917324 730284691 /nfs/dbraw/zinc/28/46/91/730284691.db2.gz KTOOFVNLFAHCGB-UHFFFAOYSA-N 1 0 370.291 3.006 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841952424 730285498 /nfs/dbraw/zinc/28/54/98/730285498.db2.gz TXCDEBHVKAUQSE-CQSZACIVSA-N 1 0 372.307 3.060 20 10 FGCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000844400048 730713128 /nfs/dbraw/zinc/71/31/28/730713128.db2.gz UDNXPEWSZAHABV-LJQANCHMSA-N 1 0 350.409 3.075 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000846166738 730933186 /nfs/dbraw/zinc/93/31/86/730933186.db2.gz OHBKJWJQBOBTKK-NSHDSACASA-N 1 0 369.870 3.309 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccnc2OC)c1O ZINC000848517035 731174261 /nfs/dbraw/zinc/17/42/61/731174261.db2.gz ACBKKEMZSHOQRB-SNVBAGLBSA-N 1 0 367.243 3.418 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1O ZINC000848527527 731175525 /nfs/dbraw/zinc/17/55/25/731175525.db2.gz CCGUYMCOXZWEBG-RISCZKNCSA-N 1 0 369.303 3.298 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)c1O ZINC000848534146 731177178 /nfs/dbraw/zinc/17/71/78/731177178.db2.gz YAPUYQKTHRQPMY-YPMHNXCESA-N 1 0 374.275 3.010 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)c1O ZINC000848551295 731180138 /nfs/dbraw/zinc/18/01/38/731180138.db2.gz IUECHGLYMCDDGN-HZMBPMFUSA-N 1 0 358.276 3.365 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000849349717 731251173 /nfs/dbraw/zinc/25/11/73/731251173.db2.gz FVHSWHNOKRKSMP-ZDUSSCGKSA-N 1 0 353.850 3.165 20 10 FGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CO1 ZINC000850034132 731311657 /nfs/dbraw/zinc/31/16/57/731311657.db2.gz HPYFNJSFOYLJNJ-GOEBONIOSA-N 1 0 358.404 3.199 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000850520671 731368966 /nfs/dbraw/zinc/36/89/66/731368966.db2.gz FPEVLXAUUCBQEA-UFBFGSQYSA-N 1 0 366.202 3.238 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)c1O ZINC000850572320 731374707 /nfs/dbraw/zinc/37/47/07/731374707.db2.gz JYQMFUBFRAQNHV-ZJUUUORDSA-N 1 0 354.248 3.309 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851792864 731499466 /nfs/dbraw/zinc/49/94/66/731499466.db2.gz QKHGQLIJOJDODD-MLGOLLRUSA-N 1 0 358.276 3.028 20 10 FGCDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000852922059 731644198 /nfs/dbraw/zinc/64/41/98/731644198.db2.gz UNVHADXWUYRXEU-NSHDSACASA-N 1 0 364.287 3.194 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(F)F)ccc2F)cc1 ZINC000856993526 732089223 /nfs/dbraw/zinc/08/92/23/732089223.db2.gz DMNKDAFSUANLKV-INIZCTEOSA-N 1 0 351.372 3.259 20 10 FGCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC000858162379 732187643 /nfs/dbraw/zinc/18/76/43/732187643.db2.gz YYHNPSRWDQTLGN-AWEZNQCLSA-N 1 0 350.256 3.238 20 10 FGCDRO CCO[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241903 732480286 /nfs/dbraw/zinc/48/02/86/732480286.db2.gz MZTJELHLFTZIDH-WMZOPIPTSA-N 1 0 368.905 3.187 20 10 FGCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862236724 732793562 /nfs/dbraw/zinc/79/35/62/732793562.db2.gz CDDMJRMAYCJYII-ZDUSSCGKSA-N 1 0 369.303 3.139 20 10 FGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000862292539 732806014 /nfs/dbraw/zinc/80/60/14/732806014.db2.gz HRSVKBGEHSYMOJ-KRWDZBQOSA-N 1 0 366.230 3.387 20 10 FGCDRO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646851 732990033 /nfs/dbraw/zinc/99/00/33/732990033.db2.gz QDGQZFOCDVCYMI-CMPLNLGQSA-N 1 0 367.209 3.114 20 10 FGCDRO [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646854 732990122 /nfs/dbraw/zinc/99/01/22/732990122.db2.gz QDGQZFOCDVCYMI-PWSUYJOCSA-N 1 0 367.209 3.114 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863645479 732990179 /nfs/dbraw/zinc/99/01/79/732990179.db2.gz INOGEVDFLVHJCU-CMPLNLGQSA-N 1 0 352.784 3.013 20 10 FGCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cc(Br)ccc2O)on1 ZINC000866514962 733359165 /nfs/dbraw/zinc/35/91/65/733359165.db2.gz XMZMCXQAIREOPS-SECBINFHSA-N 1 0 369.215 3.170 20 10 FGCDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)on1 ZINC000866514887 733359568 /nfs/dbraw/zinc/35/95/68/733359568.db2.gz VGFDORQCDCHBFJ-SECBINFHSA-N 1 0 369.215 3.170 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870895736 733900331 /nfs/dbraw/zinc/90/03/31/733900331.db2.gz JTJCMBGPKYEJPJ-VDISTLRHSA-N 1 0 355.276 3.021 20 10 FGCDRO C[NH+](C)C1(C)CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000875374382 735982229 /nfs/dbraw/zinc/98/22/29/735982229.db2.gz JPCKUXCGCVRKHF-UHFFFAOYSA-N 1 0 356.561 3.187 20 10 FGCDRO Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c(O)c1 ZINC000877481944 736225537 /nfs/dbraw/zinc/22/55/37/736225537.db2.gz YDIUZRHBELQFGE-UHFFFAOYSA-N 1 0 373.396 3.413 20 10 FGCDRO c1csc(CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000877673625 736702894 /nfs/dbraw/zinc/70/28/94/736702894.db2.gz IOMGJBONRDWKEQ-UHFFFAOYSA-N 1 0 357.523 3.434 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccccc1O ZINC000879647936 737023272 /nfs/dbraw/zinc/02/32/72/737023272.db2.gz RLSGOWPDZJMZGR-GFCCVEGCSA-N 1 0 356.344 3.227 20 10 FGCDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCCOC1 ZINC000886355743 739247826 /nfs/dbraw/zinc/24/78/26/739247826.db2.gz NEQJGXMVDZLEIT-KDOFPFPSSA-N 1 0 351.487 3.230 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)(C)C(F)F ZINC000886751630 739291631 /nfs/dbraw/zinc/29/16/31/739291631.db2.gz WVIJGEKYILOYGI-CYBMUJFWSA-N 1 0 353.457 3.158 20 10 FGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000886750890 739291723 /nfs/dbraw/zinc/29/17/23/739291723.db2.gz AUODOQRAGOMGEK-AWEZNQCLSA-N 1 0 358.511 3.004 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)[NH+](C)C)cc1 ZINC000891244366 739885950 /nfs/dbraw/zinc/88/59/50/739885950.db2.gz ZUAOLWHZRLXWSN-ZCTYVAAUSA-N 1 0 361.555 3.146 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)C2(C(F)(F)F)CCC2)[NH+](C)C)cc1 ZINC000891248846 739886466 /nfs/dbraw/zinc/88/64/66/739886466.db2.gz NOSLGLVOFGXRJT-HNNXBMFYSA-N 1 0 357.420 3.204 20 10 FGCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CS1 ZINC000895813367 742456469 /nfs/dbraw/zinc/45/64/69/742456469.db2.gz INLWEYNBDRHFDG-IEBWSBKVSA-N 1 0 361.555 3.008 20 10 FGCDRO Cc1nc([C@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)no1 ZINC000896236813 742519278 /nfs/dbraw/zinc/51/92/78/742519278.db2.gz IFMGYRXDBDQPJL-NSHDSACASA-N 1 0 352.232 3.144 20 10 FGCDRO CC1([NH+]2CCC2)CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000896703731 742585854 /nfs/dbraw/zinc/58/58/54/742585854.db2.gz ACXIHDGXWFPBFZ-UHFFFAOYSA-N 1 0 351.878 3.252 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2cc(Br)cc(OC)c2)c1 ZINC000896807479 742601846 /nfs/dbraw/zinc/60/18/46/742601846.db2.gz FQOFIOQSOURBFB-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897430186 742678564 /nfs/dbraw/zinc/67/85/64/742678564.db2.gz RGJBSQCAQHLIGZ-UHFFFAOYSA-N 1 0 350.260 3.441 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000898268172 742766350 /nfs/dbraw/zinc/76/63/50/742766350.db2.gz WQWSUJNMUSAVAP-CQSZACIVSA-N 1 0 355.360 3.379 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1C ZINC000903433918 743850651 /nfs/dbraw/zinc/85/06/51/743850651.db2.gz GXVBGFASOVQVHM-STQMWFEESA-N 1 0 362.861 3.088 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1(Br)CC1 ZINC000924761033 759381359 /nfs/dbraw/zinc/38/13/59/759381359.db2.gz SPEZJVJALAWRRY-CQSZACIVSA-N 1 0 367.331 3.301 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000927006796 759874720 /nfs/dbraw/zinc/87/47/20/759874720.db2.gz WEPGNNFCQOHDIZ-NSHDSACASA-N 1 0 366.259 3.200 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000779035813 724383071 /nfs/dbraw/zinc/38/30/71/724383071.db2.gz IZLVXDZZKLNGHT-GVAXYQGFSA-N 1 0 367.287 3.123 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccccn1 ZINC000069714832 494000583 /nfs/dbraw/zinc/00/05/83/494000583.db2.gz QMMUNVNMYKBIPD-UHFFFAOYSA-N 1 0 351.372 3.227 20 10 FGCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000089636707 494335315 /nfs/dbraw/zinc/33/53/15/494335315.db2.gz ZWBPVFUCXSEPPF-GJZGRUSLSA-N 1 0 356.507 3.290 20 10 FGCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000090183166 494453931 /nfs/dbraw/zinc/45/39/31/494453931.db2.gz GSCBNUWZZVWRLT-MRXNPFEDSA-N 1 0 350.528 3.152 20 10 FGCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000092380709 494610713 /nfs/dbraw/zinc/61/07/13/494610713.db2.gz BGYBAKFQJKQXRU-UHFFFAOYSA-N 1 0 353.466 3.366 20 10 FGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092707399 494721064 /nfs/dbraw/zinc/72/10/64/494721064.db2.gz HTTRGYOUCSNKLB-CYBMUJFWSA-N 1 0 369.303 3.283 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000091949581 494730560 /nfs/dbraw/zinc/73/05/60/494730560.db2.gz SSLKGKCVSPTSPA-INIZCTEOSA-N 1 0 360.498 3.261 20 10 FGCDRO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958272 494736079 /nfs/dbraw/zinc/73/60/79/494736079.db2.gz UPJGRWATDWYCHT-WOJBJXKFSA-N 1 0 356.466 3.204 20 10 FGCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000125390380 495436843 /nfs/dbraw/zinc/43/68/43/495436843.db2.gz HDRIRTSGNVOXHA-VFNWGFHPSA-N 1 0 374.456 3.055 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182449066 495568192 /nfs/dbraw/zinc/56/81/92/495568192.db2.gz YFYGDXMYPFXISK-KGLIPLIRSA-N 1 0 350.459 3.308 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000185649706 495662250 /nfs/dbraw/zinc/66/22/50/495662250.db2.gz ZPSWFWWONSLDDR-LBPRGKRZSA-N 1 0 353.871 3.441 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c(O)c1 ZINC000154966034 495787484 /nfs/dbraw/zinc/78/74/84/495787484.db2.gz IFJPKINQUWEQKT-GOSISDBHSA-N 1 0 363.479 3.057 20 10 FGCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000186128271 495865907 /nfs/dbraw/zinc/86/59/07/495865907.db2.gz AOKGNHNQVFZDMP-OAHLLOKOSA-N 1 0 356.466 3.224 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000186519669 496029140 /nfs/dbraw/zinc/02/91/40/496029140.db2.gz UMGGQIRQSPQXPM-HNAYVOBHSA-N 1 0 358.457 3.339 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000180723920 496118661 /nfs/dbraw/zinc/11/86/61/496118661.db2.gz ZBIHICWQNIXABD-SOFGYWHQSA-N 1 0 370.474 3.299 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(COC)c3)c2)CC1 ZINC000184274107 496313943 /nfs/dbraw/zinc/31/39/43/496313943.db2.gz WVAXGUCMHJSLPD-UHFFFAOYSA-N 1 0 353.466 3.227 20 10 FGCDRO COc1cccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1O ZINC000163074419 496461122 /nfs/dbraw/zinc/46/11/22/496461122.db2.gz ZDARICXOGYUBJA-UHFFFAOYSA-N 1 0 368.477 3.319 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000184685312 496492071 /nfs/dbraw/zinc/49/20/71/496492071.db2.gz PPEQFJGWHGUNEC-ZDUSSCGKSA-N 1 0 354.878 3.038 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000184699864 496497919 /nfs/dbraw/zinc/49/79/19/496497919.db2.gz XZSZIHBQLNVWHD-UHFFFAOYSA-N 1 0 352.862 3.031 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187798565 496576131 /nfs/dbraw/zinc/57/61/31/496576131.db2.gz OOGWCWZAYQQBQT-ZLIFDBKOSA-N 1 0 354.441 3.089 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000184965134 496603418 /nfs/dbraw/zinc/60/34/18/496603418.db2.gz NVQGDNFBTDKHMY-KRWDZBQOSA-N 1 0 367.493 3.454 20 10 FGCDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)ccc1O ZINC000185061658 496642030 /nfs/dbraw/zinc/64/20/30/496642030.db2.gz VZXGRXSBNCAZMZ-LBPRGKRZSA-N 1 0 355.276 3.208 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165804181 496668782 /nfs/dbraw/zinc/66/87/82/496668782.db2.gz QKMYJOGZULEIER-HIFRSBDPSA-N 1 0 356.532 3.162 20 10 FGCDRO COc1ccc(O)c(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000182186601 496700727 /nfs/dbraw/zinc/70/07/27/496700727.db2.gz JEACLHRZUZCUIG-UHFFFAOYSA-N 1 0 359.813 3.437 20 10 FGCDRO COCCCN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185314226 496727918 /nfs/dbraw/zinc/72/79/18/496727918.db2.gz WEYMZOPZEZFMJD-ZDUSSCGKSA-N 1 0 371.319 3.306 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273380867 496789155 /nfs/dbraw/zinc/78/91/55/496789155.db2.gz IFYJWHXLECKAQN-JTQLQIEISA-N 1 0 366.343 3.313 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000273734651 496889245 /nfs/dbraw/zinc/88/92/45/496889245.db2.gz KXLLMIVJXIEZEJ-GFCCVEGCSA-N 1 0 362.861 3.429 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000278108128 497007778 /nfs/dbraw/zinc/00/77/78/497007778.db2.gz AXJGQADFMWWWJD-ZFWWWQNUSA-N 1 0 350.459 3.278 20 10 FGCDRO COCCOCCOCCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000274422766 497095312 /nfs/dbraw/zinc/09/53/12/497095312.db2.gz QSHQXRSSANCRTN-UHFFFAOYSA-N 1 0 359.466 3.219 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])c2)CC1 ZINC000274517868 497115782 /nfs/dbraw/zinc/11/57/82/497115782.db2.gz ZFISVXFOWGKCRZ-UHFFFAOYSA-N 1 0 368.437 3.297 20 10 FGCDRO COc1c([O-])c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)ccc1[N+](=O)[O-] ZINC000278501720 497136502 /nfs/dbraw/zinc/13/65/02/497136502.db2.gz NWNGFPROVPFWHG-UHFFFAOYSA-N 1 0 364.785 3.187 20 10 FGCDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237472367 497241939 /nfs/dbraw/zinc/24/19/39/497241939.db2.gz ZPKIGVBHGFDKSE-QGZVFWFLSA-N 1 0 351.494 3.360 20 10 FGCDRO Nc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000237920773 497315338 /nfs/dbraw/zinc/31/53/38/497315338.db2.gz GDEAXQKAONKPAI-UHFFFAOYSA-N 1 0 355.507 3.041 20 10 FGCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cn1 ZINC000279132011 497343521 /nfs/dbraw/zinc/34/35/21/497343521.db2.gz RBBBPDADAJSEAE-SNVBAGLBSA-N 1 0 364.243 3.359 20 10 FGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CS1 ZINC000277191811 497771343 /nfs/dbraw/zinc/77/13/43/497771343.db2.gz ITVTUWUFXLXPRU-BEFAXECRSA-N 1 0 352.519 3.407 20 10 FGCDRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280634953 497834841 /nfs/dbraw/zinc/83/48/41/497834841.db2.gz RKCXVYJHJHVFIV-CQSZACIVSA-N 1 0 357.420 3.120 20 10 FGCDRO COCC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000296410258 498033398 /nfs/dbraw/zinc/03/33/98/498033398.db2.gz MAIVSVLZRANBRG-UHFFFAOYSA-N 1 0 350.478 3.082 20 10 FGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COCC(F)(F)F ZINC000292494486 498036385 /nfs/dbraw/zinc/03/63/85/498036385.db2.gz BRSZGCIHSPRQKL-KRWDZBQOSA-N 1 0 360.420 3.049 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701883 498099817 /nfs/dbraw/zinc/09/98/17/498099817.db2.gz DPTHBNACJAOCSC-INIZCTEOSA-N 1 0 353.422 3.206 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000364980819 498238981 /nfs/dbraw/zinc/23/89/81/498238981.db2.gz KEVUTERCEISZMY-HNNXBMFYSA-N 1 0 374.485 3.176 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3nc4ccccc4[nH]3)CC2)cc1 ZINC000301870239 498304495 /nfs/dbraw/zinc/30/44/95/498304495.db2.gz IMRRVUUDHAQGAT-UHFFFAOYSA-N 1 0 365.481 3.196 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3nc(C)cs3)CC2)c1 ZINC000360790863 498309323 /nfs/dbraw/zinc/30/93/23/498309323.db2.gz CIYWYWPWOXBMAL-UHFFFAOYSA-N 1 0 361.467 3.016 20 10 FGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1cccnc1 ZINC000293509373 498400349 /nfs/dbraw/zinc/40/03/49/498400349.db2.gz ADKWJHBHCVKCCO-INIZCTEOSA-N 1 0 365.271 3.399 20 10 FGCDRO COCCn1cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)cn1 ZINC000282526851 498546354 /nfs/dbraw/zinc/54/63/54/498546354.db2.gz PVDFRYDKOCJVTG-UHFFFAOYSA-N 1 0 367.449 3.104 20 10 FGCDRO CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000294290866 498646193 /nfs/dbraw/zinc/64/61/93/498646193.db2.gz PJUBITUSUNYBAO-UHFFFAOYSA-N 1 0 369.912 3.175 20 10 FGCDRO COC(=O)C1([N@@H+](C)Cc2ccc(N3CCC(OC)CC3)cc2)CCCC1 ZINC000294885584 498838192 /nfs/dbraw/zinc/83/81/92/498838192.db2.gz GJNMINGVFSYUQK-UHFFFAOYSA-N 1 0 360.498 3.219 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000366294322 498862211 /nfs/dbraw/zinc/86/22/11/498862211.db2.gz LJKMNNOMGQFOCS-KGLIPLIRSA-N 1 0 368.403 3.496 20 10 FGCDRO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366319928 498872924 /nfs/dbraw/zinc/87/29/24/498872924.db2.gz CTYNGYARXPIJEZ-DYVFJYSZSA-N 1 0 373.419 3.045 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c1 ZINC000283942165 499017335 /nfs/dbraw/zinc/01/73/35/499017335.db2.gz JTEAGIWRJWSHTH-AWEZNQCLSA-N 1 0 363.479 3.435 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc2c(cc1O)CCCC2 ZINC000363857045 499026774 /nfs/dbraw/zinc/02/67/74/499026774.db2.gz PMSRQDUSMHEFDH-LIRRHRJNSA-N 1 0 355.482 3.188 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c(O)c1C ZINC000363860958 499028965 /nfs/dbraw/zinc/02/89/65/499028965.db2.gz VXMWMMSPONPHCQ-QKLQHJQFSA-N 1 0 356.514 3.476 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000363967019 499070396 /nfs/dbraw/zinc/07/03/96/499070396.db2.gz RRTMKPYGENKRJQ-FXAWDEMLSA-N 1 0 356.514 3.053 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000372497485 499134550 /nfs/dbraw/zinc/13/45/50/499134550.db2.gz QGVOAZOZNNAPDP-ZWNOBZJWSA-N 1 0 350.260 3.394 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323145 499181564 /nfs/dbraw/zinc/18/15/64/499181564.db2.gz ZNWYBBAAVXRTIO-HZPDHXFCSA-N 1 0 356.470 3.161 20 10 FGCDRO COCCC[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370343215 499211551 /nfs/dbraw/zinc/21/15/51/499211551.db2.gz NKWACRZPPGLBEJ-PBHICJAKSA-N 1 0 368.905 3.189 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370372903 499213954 /nfs/dbraw/zinc/21/39/54/499213954.db2.gz GABPAUBEQJXCHS-HKUYNNGSSA-N 1 0 352.478 3.442 20 10 FGCDRO Clc1cnn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000367880083 499241291 /nfs/dbraw/zinc/24/12/91/499241291.db2.gz RUESJKVLJNYEEW-UHFFFAOYSA-N 1 0 360.889 3.210 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)c1O ZINC000371380516 499317564 /nfs/dbraw/zinc/31/75/64/499317564.db2.gz RXTOPTCBUVEYQD-UHFFFAOYSA-N 1 0 374.485 3.005 20 10 FGCDRO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)o1 ZINC000368672580 499320740 /nfs/dbraw/zinc/32/07/40/499320740.db2.gz GNBXWWNXIANURU-LJQANCHMSA-N 1 0 359.445 3.458 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1F ZINC000373471184 499471917 /nfs/dbraw/zinc/47/19/17/499471917.db2.gz VQERJXNJGKBPQY-UWJYYQICSA-N 1 0 355.457 3.201 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608685 499479683 /nfs/dbraw/zinc/47/96/83/499479683.db2.gz LKFBIHAXUZEYCX-STQMWFEESA-N 1 0 361.467 3.269 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975512 499573058 /nfs/dbraw/zinc/57/30/58/499573058.db2.gz MWNBQGKFSJHFJT-KRWDZBQOSA-N 1 0 372.513 3.447 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377911984 499747642 /nfs/dbraw/zinc/74/76/42/499747642.db2.gz JNPZPMJFUJGZSX-INIZCTEOSA-N 1 0 355.482 3.453 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@H](C)C2)C1 ZINC000436036067 501061351 /nfs/dbraw/zinc/06/13/51/501061351.db2.gz WZIJITFBBVNAQS-SJORKVTESA-N 1 0 369.509 3.092 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000458174419 501384653 /nfs/dbraw/zinc/38/46/53/501384653.db2.gz SJMZVYOIZHBRPS-SFHVURJKSA-N 1 0 371.525 3.366 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000472239906 502281644 /nfs/dbraw/zinc/28/16/44/502281644.db2.gz MSCBRFXZTZRBNV-WMZOPIPTSA-N 1 0 354.498 3.112 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)c1O ZINC000527771534 503936544 /nfs/dbraw/zinc/93/65/44/503936544.db2.gz GUDHEFDZVWJNEC-SFHVURJKSA-N 1 0 356.466 3.164 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cc1C ZINC000822210845 599396702 /nfs/dbraw/zinc/39/67/02/599396702.db2.gz SWTZFWFDBILSPQ-UHFFFAOYSA-N 1 0 369.494 3.212 20 10 FGCDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823732939 606751686 /nfs/dbraw/zinc/75/16/86/606751686.db2.gz QIDPXSMMJWTUEJ-UHFFFAOYSA-N 1 0 361.405 3.368 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821611145 607112941 /nfs/dbraw/zinc/11/29/41/607112941.db2.gz SDERYCNGABRGGF-UHFFFAOYSA-N 1 0 362.481 3.489 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000113343499 700570909 /nfs/dbraw/zinc/57/09/09/700570909.db2.gz SZIDTJIMOVQKNB-ZDUSSCGKSA-N 1 0 371.275 3.254 20 10 FGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000119999541 700645227 /nfs/dbraw/zinc/64/52/27/700645227.db2.gz SXUDGOSTQLEEAQ-UHFFFAOYSA-N 1 0 357.483 3.166 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000122723885 700694591 /nfs/dbraw/zinc/69/45/91/700694591.db2.gz CYIGSDQFUXXMEC-OAHLLOKOSA-N 1 0 361.511 3.283 20 10 FGCDRO CC[NH+]1CCC(CCNC(=O)NCCCSc2nccs2)CC1 ZINC000154003076 705019087 /nfs/dbraw/zinc/01/90/87/705019087.db2.gz APKPKNHTOBISES-UHFFFAOYSA-N 1 0 356.561 3.047 20 10 FGCDRO CC(C)(C)c1cnc(SCC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000164023259 705323412 /nfs/dbraw/zinc/32/34/12/705323412.db2.gz CQWRQCIQXMQOTO-UHFFFAOYSA-N 1 0 353.557 3.276 20 10 FGCDRO COCCCOC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000172914226 705436298 /nfs/dbraw/zinc/43/62/98/705436298.db2.gz BJCZURQJXXEPSJ-UHFFFAOYSA-N 1 0 351.487 3.413 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180797206 705757976 /nfs/dbraw/zinc/75/79/76/705757976.db2.gz MFLPOOIUXBXISH-CYBMUJFWSA-N 1 0 355.360 3.453 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180797183 705758057 /nfs/dbraw/zinc/75/80/57/705758057.db2.gz MFLPOOIUXBXISH-ZDUSSCGKSA-N 1 0 355.360 3.453 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1O ZINC000186414100 712718583 /nfs/dbraw/zinc/71/85/83/712718583.db2.gz OILSKFLKYRXNHL-SFHVURJKSA-N 1 0 360.479 3.173 20 10 FGCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2Cl)C1 ZINC000291250904 713770677 /nfs/dbraw/zinc/77/06/77/713770677.db2.gz VXRCSKYJNVBJGH-AWEZNQCLSA-N 1 0 370.946 3.243 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000373974993 713889201 /nfs/dbraw/zinc/88/92/01/713889201.db2.gz GERFPRFLGNIKIU-ZJNRKIDTSA-N 1 0 355.862 3.213 20 10 FGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000769381133 723683780 /nfs/dbraw/zinc/68/37/80/723683780.db2.gz MAEBLNFXDZFGFK-ZYHUDNBSSA-N 1 0 354.166 3.042 20 10 FGCDRO CCCCCC[N@H+](C)CC(=O)NCc1cc(Br)ccc1O ZINC000804737398 724547731 /nfs/dbraw/zinc/54/77/31/724547731.db2.gz ISRDFRZAEHHAJY-UHFFFAOYSA-N 1 0 357.292 3.283 20 10 FGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000781921896 724613220 /nfs/dbraw/zinc/61/32/20/724613220.db2.gz XCROEVFBITXVIR-SFHVURJKSA-N 1 0 360.479 3.107 20 10 FGCDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782654307 724690626 /nfs/dbraw/zinc/69/06/26/724690626.db2.gz OSOTZYHVZCWVLP-MRXNPFEDSA-N 1 0 359.436 3.278 20 10 FGCDRO O=C(/C=C/c1ccc[nH]1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676457 724777977 /nfs/dbraw/zinc/77/79/77/724777977.db2.gz JTAOPYSVKVJWTH-JKNJVXJCSA-N 1 0 359.857 3.168 20 10 FGCDRO [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000708091388 722412881 /nfs/dbraw/zinc/41/28/81/722412881.db2.gz UBSIJPJLRZXUIX-SNVBAGLBSA-N 1 0 359.695 3.382 20 10 FGCDRO CCn1ccnc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000727644308 722446012 /nfs/dbraw/zinc/44/60/12/722446012.db2.gz HKRCSDMZNUDCPP-UHFFFAOYSA-N 1 0 350.413 3.263 20 10 FGCDRO CC[N@H+](CCc1cccs1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000746657502 722612587 /nfs/dbraw/zinc/61/25/87/722612587.db2.gz GCHPMGJLLPHVJF-UHFFFAOYSA-N 1 0 359.539 3.337 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000750055383 722753025 /nfs/dbraw/zinc/75/30/25/722753025.db2.gz ADQWLHFGNOCUSF-OAHLLOKOSA-N 1 0 350.890 3.412 20 10 FGCDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931096 722835963 /nfs/dbraw/zinc/83/59/63/722835963.db2.gz MCIVCJYJJSHCIB-MRXNPFEDSA-N 1 0 359.495 3.347 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000756511611 722965918 /nfs/dbraw/zinc/96/59/18/722965918.db2.gz QYXGNKUEQIEZRI-LRDDRELGSA-N 1 0 363.454 3.414 20 10 FGCDRO C[C@H]([NH2+]CCCN1CCCCC1=O)c1cc(Br)ccc1O ZINC000756557807 722966789 /nfs/dbraw/zinc/96/67/89/722966789.db2.gz VSGPBXWTRASFAC-LBPRGKRZSA-N 1 0 355.276 3.208 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Br)ccc1O ZINC000756583866 722967211 /nfs/dbraw/zinc/96/72/11/722967211.db2.gz RIDIQDFNFLTGED-OBJOEFQTSA-N 1 0 369.303 3.452 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756633223 722967980 /nfs/dbraw/zinc/96/79/80/722967980.db2.gz GMLLHKABJHUHQF-LRDDRELGSA-N 1 0 363.454 3.414 20 10 FGCDRO COC1CCC(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000757985132 722982479 /nfs/dbraw/zinc/98/24/79/722982479.db2.gz LITSZSPYDVKILU-UHFFFAOYSA-N 1 0 350.478 3.347 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)c1cc(Br)ccc1O ZINC000761499571 723160224 /nfs/dbraw/zinc/16/02/24/723160224.db2.gz QFVIYHXBTGOVSM-AWEZNQCLSA-N 1 0 371.275 3.426 20 10 FGCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000763526943 723348511 /nfs/dbraw/zinc/34/85/11/723348511.db2.gz QGPKMEPMSHWXSM-QFBILLFUSA-N 1 0 350.478 3.346 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000793038037 723394642 /nfs/dbraw/zinc/39/46/42/723394642.db2.gz OEDVHWDMHJBARW-YOEHRIQHSA-N 1 0 358.404 3.199 20 10 FGCDRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000793389716 723433141 /nfs/dbraw/zinc/43/31/41/723433141.db2.gz NACVDCILLHCNQU-UONOGXRCSA-N 1 0 357.397 3.248 20 10 FGCDRO CCCN(CC[NH+](CC)CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000764679094 723436605 /nfs/dbraw/zinc/43/66/05/723436605.db2.gz YCVHSQOZFAGVGM-UHFFFAOYSA-N 1 0 351.510 3.216 20 10 FGCDRO C[C@H](C(=O)NCc1cccc(Br)c1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000765733198 723536403 /nfs/dbraw/zinc/53/64/03/723536403.db2.gz VGICGQTXXABITI-IJLUTSLNSA-N 1 0 355.276 3.032 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCN1C ZINC000765991642 723550281 /nfs/dbraw/zinc/55/02/81/723550281.db2.gz DNPUMXTURQIDRH-ZTFGCOKTSA-N 1 0 351.922 3.082 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cnn3ccccc23)c1O ZINC000796484756 723639610 /nfs/dbraw/zinc/63/96/10/723639610.db2.gz YUHJLKQBJRMQJL-UHFFFAOYSA-N 1 0 362.227 3.101 20 10 FGCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000768343928 723654678 /nfs/dbraw/zinc/65/46/78/723654678.db2.gz ADTMNHBDJXSBQT-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO C[N@H+](Cc1cc(Br)cs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439873 723657524 /nfs/dbraw/zinc/65/75/24/723657524.db2.gz OMABRXOUOWPSSO-AWEZNQCLSA-N 1 0 370.268 3.274 20 10 FGCDRO CCCN(CCC)c1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000769468220 723686471 /nfs/dbraw/zinc/68/64/71/723686471.db2.gz DDJJJEZKNZWFMY-GOSISDBHSA-N 1 0 352.544 3.180 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCSC2)C1 ZINC000774079329 723856931 /nfs/dbraw/zinc/85/69/31/723856931.db2.gz XCVCWJYWLMRXDR-OAHLLOKOSA-N 1 0 358.507 3.457 20 10 FGCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000798088538 723903546 /nfs/dbraw/zinc/90/35/46/723903546.db2.gz DAKKXWCDWXGNSQ-RISCZKNCSA-N 1 0 356.260 3.285 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000775048887 723956114 /nfs/dbraw/zinc/95/61/14/723956114.db2.gz WJLYWSBSXPVKDR-UONOGXRCSA-N 1 0 350.459 3.278 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1O ZINC000775674825 724022254 /nfs/dbraw/zinc/02/22/54/724022254.db2.gz LDUWUYIPSXTBPN-HNNXBMFYSA-N 1 0 350.260 3.497 20 10 FGCDRO Cc1cccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)c1O ZINC000776100746 724110272 /nfs/dbraw/zinc/11/02/72/724110272.db2.gz KRRBHQXWSDFGTR-UHFFFAOYSA-N 1 0 363.255 3.500 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1O ZINC000776252320 724124196 /nfs/dbraw/zinc/12/41/96/724124196.db2.gz QLCPNZDIMDBHRW-INIZCTEOSA-N 1 0 368.246 3.295 20 10 FGCDRO CS[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1[NH+]1CCCC1 ZINC000776487197 724150871 /nfs/dbraw/zinc/15/08/71/724150871.db2.gz WETPATWCDKRTEC-SJORKVTESA-N 1 0 368.930 3.260 20 10 FGCDRO CCCC[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccccc1O ZINC000801595059 724318044 /nfs/dbraw/zinc/31/80/44/724318044.db2.gz FTSAXWUJOPQWPT-UHFFFAOYSA-N 1 0 360.479 3.055 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CCOC(C)C ZINC000788274092 725054144 /nfs/dbraw/zinc/05/41/44/725054144.db2.gz DPJJJEWZCNUAJF-HNNXBMFYSA-N 1 0 360.292 3.153 20 10 FGCDRO CCn1cccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)c1=O ZINC000788610597 725075714 /nfs/dbraw/zinc/07/57/14/725075714.db2.gz ZBDLQVXEHLBASS-GFCCVEGCSA-N 1 0 365.271 3.496 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c(O)c1 ZINC000788823833 725090097 /nfs/dbraw/zinc/09/00/97/725090097.db2.gz QMZPUOKOILLPNZ-QGZVFWFLSA-N 1 0 361.507 3.317 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000806134562 725117137 /nfs/dbraw/zinc/11/71/37/725117137.db2.gz ZTYIVYAQOSVZGD-YSVLISHTSA-N 1 0 358.404 3.284 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000806134560 725117370 /nfs/dbraw/zinc/11/73/70/725117370.db2.gz ZTYIVYAQOSVZGD-QRTARXTBSA-N 1 0 358.404 3.284 20 10 FGCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000807209247 725157031 /nfs/dbraw/zinc/15/70/31/725157031.db2.gz GIYBQTMPHCPRQE-GJZGRUSLSA-N 1 0 366.937 3.326 20 10 FGCDRO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713763 725261810 /nfs/dbraw/zinc/26/18/10/725261810.db2.gz ZCZMAMFHDVQNQI-UHFFFAOYSA-N 1 0 365.058 3.485 20 10 FGCDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809720201 725262494 /nfs/dbraw/zinc/26/24/94/725262494.db2.gz AAWVZPUDDOWMIG-INIZCTEOSA-N 1 0 351.466 3.381 20 10 FGCDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000809738492 725264019 /nfs/dbraw/zinc/26/40/19/725264019.db2.gz ZRDJIHYSAWZPSS-UHFFFAOYSA-N 1 0 350.409 3.243 20 10 FGCDRO COc1cccc(O)c1C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000809786788 725268780 /nfs/dbraw/zinc/26/87/80/725268780.db2.gz KYJQVRKNTBKFMC-UHFFFAOYSA-N 1 0 355.463 3.333 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810240185 725299082 /nfs/dbraw/zinc/29/90/82/725299082.db2.gz QHDIBUZZCAALKO-FZMZJTMJSA-N 1 0 365.417 3.277 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)OCC(C)C)CC2)c1 ZINC000813330740 726862248 /nfs/dbraw/zinc/86/22/48/726862248.db2.gz FUYWWHQQHNUQKQ-CQSZACIVSA-N 1 0 350.459 3.308 20 10 FGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000815633026 727087981 /nfs/dbraw/zinc/08/79/81/727087981.db2.gz DNNAZELCJNEHFS-VXGBXAGGSA-N 1 0 357.292 3.358 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000816628758 727182150 /nfs/dbraw/zinc/18/21/50/727182150.db2.gz JGANLRKKHRTCSH-UHFFFAOYSA-N 1 0 362.857 3.181 20 10 FGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000817419918 727250038 /nfs/dbraw/zinc/25/00/38/727250038.db2.gz MQLAGSGCMOIJMZ-ZDUSSCGKSA-N 1 0 360.420 3.445 20 10 FGCDRO CN1CCO[C@@H]([C@H]([NH2+]CCc2ccc(N)cc2)c2ccc(Cl)cc2)C1 ZINC000817958783 727289579 /nfs/dbraw/zinc/28/95/79/727289579.db2.gz YDQUYLNWMRLHOE-WOJBJXKFSA-N 1 0 359.901 3.126 20 10 FGCDRO CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1[O-] ZINC000817982816 727290332 /nfs/dbraw/zinc/29/03/32/727290332.db2.gz HWBBJQSMENLLOO-JTTJXQCZSA-N 1 0 351.922 3.303 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)COCc1cccs1 ZINC000819376744 727371986 /nfs/dbraw/zinc/37/19/86/727371986.db2.gz INWHCYHSAHRKRH-LPHOPBHVSA-N 1 0 362.539 3.221 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H](O)C(F)F ZINC000824635549 729352260 /nfs/dbraw/zinc/35/22/60/729352260.db2.gz HQMYJZABFZZXNO-FUHWJXTLSA-N 1 0 351.393 3.465 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000824695795 729355695 /nfs/dbraw/zinc/35/56/95/729355695.db2.gz DIPBZPXNTPORKI-OAHLLOKOSA-N 1 0 366.255 3.329 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1O ZINC000824715802 729356365 /nfs/dbraw/zinc/35/63/65/729356365.db2.gz OAGXXSMKEFOTOB-UHFFFAOYSA-N 1 0 369.303 3.344 20 10 FGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](CO)C(C)C ZINC000824845010 729361803 /nfs/dbraw/zinc/36/18/03/729361803.db2.gz GRDKPMCUSZYUIY-FXAWDEMLSA-N 1 0 352.494 3.041 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124810 729371859 /nfs/dbraw/zinc/37/18/59/729371859.db2.gz YRMCJJWLQHVPRL-NOZJJQNGSA-N 1 0 368.193 3.208 20 10 FGCDRO Fc1cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000825215256 729374786 /nfs/dbraw/zinc/37/47/86/729374786.db2.gz JFCLPJHEOMMHDE-LJQANCHMSA-N 1 0 350.503 3.381 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000825338665 729379394 /nfs/dbraw/zinc/37/93/94/729379394.db2.gz STOZXKXNGYYJQU-QGZVFWFLSA-N 1 0 366.255 3.377 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000825358466 729380249 /nfs/dbraw/zinc/38/02/49/729380249.db2.gz SQSAAVWQBAOIOJ-UHFFFAOYSA-N 1 0 364.165 3.203 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1Cl ZINC000825525391 729386783 /nfs/dbraw/zinc/38/67/83/729386783.db2.gz DNYMNUGWYKAZAO-MRXNPFEDSA-N 1 0 353.871 3.230 20 10 FGCDRO COc1cc(O)c(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)cc1OC ZINC000827757807 729434285 /nfs/dbraw/zinc/43/42/85/729434285.db2.gz NMFDTNYEWAMJBK-UHFFFAOYSA-N 1 0 351.443 3.011 20 10 FGCDRO C[C@@H](SCc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273266 729701304 /nfs/dbraw/zinc/70/13/04/729701304.db2.gz MKTWECXSQYARPK-BEFAXECRSA-N 1 0 357.523 3.191 20 10 FGCDRO C[C@@H]1CCc2c(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)csc2C1 ZINC000832284315 729702276 /nfs/dbraw/zinc/70/22/76/729702276.db2.gz ILANDPXFWJPHRG-FZKQIMNGSA-N 1 0 357.523 3.369 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000832285202 729702381 /nfs/dbraw/zinc/70/23/81/729702381.db2.gz PQWDSZBQJUBJTK-SFHVURJKSA-N 1 0 357.885 3.254 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c(O)c1 ZINC000834839872 729838361 /nfs/dbraw/zinc/83/83/61/729838361.db2.gz DVCZYTDYVMEDCB-ZDUSSCGKSA-N 1 0 365.271 3.284 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000834897121 729844903 /nfs/dbraw/zinc/84/49/03/729844903.db2.gz PFLKELISPXHWRZ-LSDHHAIUSA-N 1 0 362.905 3.192 20 10 FGCDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834896964 729844954 /nfs/dbraw/zinc/84/49/54/729844954.db2.gz PFLKELISPXHWRZ-CABCVRRESA-N 1 0 362.905 3.192 20 10 FGCDRO COc1cccc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)c1O ZINC000840958065 730197100 /nfs/dbraw/zinc/19/71/00/730197100.db2.gz IBKNNOOQFQJVSQ-OAHLLOKOSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1cc(Br)cc(CN2C[C@H]([NH3+])Cc3ccccc32)c1O ZINC000841106795 730212077 /nfs/dbraw/zinc/21/20/77/730212077.db2.gz PTPXRHOWHBOBQI-CQSZACIVSA-N 1 0 363.255 3.053 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cc4cccnc4o3)SC2=S)CC1 ZINC000841495881 730249261 /nfs/dbraw/zinc/24/92/61/730249261.db2.gz JZVJSKCHRDZGGS-GXDHUFHOSA-N 1 0 359.476 3.123 20 10 FGCDRO CC[NH+](CC)[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccsc1 ZINC000841693497 730264868 /nfs/dbraw/zinc/26/48/68/730264868.db2.gz QETAKVYGGOFVEI-SFHVURJKSA-N 1 0 360.527 3.255 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1O ZINC000841758540 730271340 /nfs/dbraw/zinc/27/13/40/730271340.db2.gz SSARJWNHFAIKQZ-RYUDHWBXSA-N 1 0 351.855 3.267 20 10 FGCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841895327 730283741 /nfs/dbraw/zinc/28/37/41/730283741.db2.gz CMAOEYWJXKBNCT-HIFRSBDPSA-N 1 0 352.910 3.113 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC([NH3+])CC3)cc2Cl)C1 ZINC000841895431 730284014 /nfs/dbraw/zinc/28/40/14/730284014.db2.gz CEMYWTFADMUBCK-CQSZACIVSA-N 1 0 364.921 3.209 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000843044407 730573239 /nfs/dbraw/zinc/57/32/39/730573239.db2.gz BFVTVOXLNOSZTB-BBRMVZONSA-N 1 0 353.304 3.427 20 10 FGCDRO COc1cc(Br)cc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1O ZINC000843047914 730574010 /nfs/dbraw/zinc/57/40/10/730574010.db2.gz BGFIEKCRQQZWNO-GJZGRUSLSA-N 1 0 369.303 3.270 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCSc2ccc(F)cc2)cc1 ZINC000843298724 730605944 /nfs/dbraw/zinc/60/59/44/730605944.db2.gz NYZRVLBNJAWGSC-GOSISDBHSA-N 1 0 361.486 3.190 20 10 FGCDRO C[C@@H](CSc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299630 730605954 /nfs/dbraw/zinc/60/59/54/730605954.db2.gz YMEINUFCWREFBO-KXBFYZLASA-N 1 0 357.523 3.297 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000843487316 730624316 /nfs/dbraw/zinc/62/43/16/730624316.db2.gz OIHMMCIDJYGCTR-NWDGAFQWSA-N 1 0 364.287 3.322 20 10 FGCDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844880626 730784831 /nfs/dbraw/zinc/78/48/31/730784831.db2.gz AMUTUFHWVNMNTN-CQSZACIVSA-N 1 0 353.894 3.357 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1O ZINC000846042192 730922714 /nfs/dbraw/zinc/92/27/14/730922714.db2.gz ITVMUTJGJAVBJK-INIZCTEOSA-N 1 0 370.287 3.458 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1O ZINC000846073627 730925569 /nfs/dbraw/zinc/92/55/69/730925569.db2.gz QNUKKAHVTAAJRC-IAQYHMDHSA-N 1 0 356.388 3.463 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000848516674 731174234 /nfs/dbraw/zinc/17/42/34/731174234.db2.gz ATIXVGQHZPYLNT-BXKDBHETSA-N 1 0 356.216 3.141 20 10 FGCDRO CCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)cn1 ZINC000848532742 731176269 /nfs/dbraw/zinc/17/62/69/731176269.db2.gz DPJFHCXOVACZQV-SNVBAGLBSA-N 1 0 354.248 3.231 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000848535814 731177640 /nfs/dbraw/zinc/17/76/40/731177640.db2.gz HBTGCNDBBLOBSR-JVXZTZIISA-N 1 0 372.181 3.127 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)c1O ZINC000848550483 731179701 /nfs/dbraw/zinc/17/97/01/731179701.db2.gz NZDZZGMHIRFLRM-SRVKXCTJSA-N 1 0 358.276 3.487 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1O)[C@H](O)C(F)F ZINC000848552218 731180564 /nfs/dbraw/zinc/18/05/64/731180564.db2.gz AFYZUCYUIRUIRG-IDALBHDPSA-N 1 0 368.218 3.219 20 10 FGCDRO [NH2+]=C(NCCc1cccs1)NCc1cc(Br)ccc1O ZINC000849052034 731224237 /nfs/dbraw/zinc/22/42/37/731224237.db2.gz MWLUDCLWJJBGEL-UHFFFAOYSA-N 1 0 354.273 3.073 20 10 FGCDRO COc1cc(C[NH2+]CCNC(=O)c2cccs2)c(O)c(C(C)(C)C)c1 ZINC000850035211 731312024 /nfs/dbraw/zinc/31/20/24/731312024.db2.gz QVXIZNJJFRAFOC-UHFFFAOYSA-N 1 0 362.495 3.279 20 10 FGCDRO COC(=O)N1CCC([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850073534 731315120 /nfs/dbraw/zinc/31/51/20/731315120.db2.gz CPCFYLIEGYEKEA-UHFFFAOYSA-N 1 0 350.459 3.019 20 10 FGCDRO COc1cc(C[NH2+]CCCOC2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850158328 731327329 /nfs/dbraw/zinc/32/73/29/731327329.db2.gz AIUBXIPZMYXPJF-UHFFFAOYSA-N 1 0 351.487 3.374 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ncccc3C(F)(F)F)C2)cc1 ZINC000850347876 731345799 /nfs/dbraw/zinc/34/57/99/731345799.db2.gz ZNNRASVLJPOGMS-CYBMUJFWSA-N 1 0 351.372 3.478 20 10 FGCDRO CCOC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000850426562 731355836 /nfs/dbraw/zinc/35/58/36/731355836.db2.gz DBJVHSIADRDUCW-UHFFFAOYSA-N 1 0 350.478 3.224 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)C2)cc1 ZINC000850488155 731362476 /nfs/dbraw/zinc/36/24/76/731362476.db2.gz LNBGOLQTGGNSNQ-OKDNKWQNSA-N 1 0 350.553 3.243 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000852754542 731630818 /nfs/dbraw/zinc/63/08/18/731630818.db2.gz UOFYABJOPBBZEF-OAHLLOKOSA-N 1 0 350.890 3.460 20 10 FGCDRO O=C(NCCC[NH2+]Cc1c(O)cccc1Br)c1cccs1 ZINC000858136653 732184283 /nfs/dbraw/zinc/18/42/83/732184283.db2.gz XEUOTAAWGCMYPO-UHFFFAOYSA-N 1 0 369.284 3.126 20 10 FGCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858146038 732185815 /nfs/dbraw/zinc/18/58/15/732185815.db2.gz NOPVUYREXPCABB-SNVBAGLBSA-N 1 0 352.276 3.226 20 10 FGCDRO COc1ccc([C@@H](CO)C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858177015 732189286 /nfs/dbraw/zinc/18/92/86/732189286.db2.gz GEYIXYUCICCZDN-CYBMUJFWSA-N 1 0 366.255 3.029 20 10 FGCDRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2ccc(Br)cc2O)n1 ZINC000858591936 732229594 /nfs/dbraw/zinc/22/95/94/732229594.db2.gz NYCGFDNMUSODSF-PELMWDNLSA-N 1 0 368.231 3.027 20 10 FGCDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000858596369 732229838 /nfs/dbraw/zinc/22/98/38/732229838.db2.gz DXIRBYZIIJLWOJ-CYBMUJFWSA-N 1 0 361.864 3.024 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1O ZINC000858603123 732230890 /nfs/dbraw/zinc/23/08/90/732230890.db2.gz RMSPLBXMVDCJRX-CABCVRRESA-N 1 0 367.287 3.349 20 10 FGCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862229701 732790586 /nfs/dbraw/zinc/79/05/86/732790586.db2.gz JKTORTUMZOYOLR-GFCCVEGCSA-N 1 0 350.260 3.268 20 10 FGCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)o1 ZINC000862237674 732793199 /nfs/dbraw/zinc/79/31/99/732793199.db2.gz CIWRYHQGCZWEHK-NSHDSACASA-N 1 0 352.232 3.226 20 10 FGCDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000862242002 732796000 /nfs/dbraw/zinc/79/60/00/732796000.db2.gz RSKFDNQHYRJZJA-PWSUYJOCSA-N 1 0 354.166 3.042 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1F ZINC000862351300 732813300 /nfs/dbraw/zinc/81/33/00/732813300.db2.gz JYOSXRWGZNOOEJ-SREVYHEPSA-N 1 0 355.429 3.201 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1O ZINC000862547508 732848719 /nfs/dbraw/zinc/84/87/19/732848719.db2.gz IBRQUPCEGOQGHY-QGZVFWFLSA-N 1 0 365.857 3.112 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000865713253 733256439 /nfs/dbraw/zinc/25/64/39/733256439.db2.gz KMRQOZJEPPNACM-HDJSIYSDSA-N 1 0 350.459 3.326 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000866435734 733349287 /nfs/dbraw/zinc/34/92/87/733349287.db2.gz FDIRKAABIAPXAT-MEDUHNTESA-N 1 0 354.376 3.317 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000866615529 733374831 /nfs/dbraw/zinc/37/48/31/733374831.db2.gz UYHBCMHJJYRGDK-UWVGGRQHSA-N 1 0 354.248 3.309 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCOC1 ZINC000872029469 735578988 /nfs/dbraw/zinc/57/89/88/735578988.db2.gz XEUABUNDOJQZGO-LPHOPBHVSA-N 1 0 350.478 3.082 20 10 FGCDRO Cc1cc(CC[NH2+][C@@H]2CCCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000873009035 735709078 /nfs/dbraw/zinc/70/90/78/735709078.db2.gz FXCPGZFZIHSIRQ-LJQANCHMSA-N 1 0 360.523 3.194 20 10 FGCDRO CC1([NH+]2CCCC2)CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000875374049 735982249 /nfs/dbraw/zinc/98/22/49/735982249.db2.gz CRGCVWGLXNTOTE-UHFFFAOYSA-N 1 0 368.572 3.285 20 10 FGCDRO Cc1nnsc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071167 736183884 /nfs/dbraw/zinc/18/38/84/736183884.db2.gz FVWCSCCZBGFSKX-LBPRGKRZSA-N 1 0 354.426 3.207 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]C3CCC(OC(F)F)CC3)cc2)CC1 ZINC000877573645 736687175 /nfs/dbraw/zinc/68/71/75/736687175.db2.gz RTIJHYRPYJLCLE-UHFFFAOYSA-N 1 0 354.441 3.288 20 10 FGCDRO COC(=O)c1oc(C[NH2+]Cc2ccc(Br)cc2O)cc1C ZINC000877693937 736706580 /nfs/dbraw/zinc/70/65/80/736706580.db2.gz VEBKHMISVYQVRC-UHFFFAOYSA-N 1 0 354.200 3.133 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2ccc(OC(F)F)cc2F)cc1OC ZINC000877729949 736710667 /nfs/dbraw/zinc/71/06/67/736710667.db2.gz HHCFNKZNGNMTOQ-UHFFFAOYSA-N 1 0 357.328 3.440 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(Cl)cn3)SC2=S)CC1 ZINC000887271909 739351748 /nfs/dbraw/zinc/35/17/48/739351748.db2.gz BIMRTRZSSFRRNP-MDWZMJQESA-N 1 0 353.900 3.030 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891249552 739886739 /nfs/dbraw/zinc/88/67/39/739886739.db2.gz RNFZDSQCUPYBFH-DOTOQJQBSA-N 1 0 353.457 3.297 20 10 FGCDRO Oc1ccc(Cl)cc1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000895140671 742380603 /nfs/dbraw/zinc/38/06/03/742380603.db2.gz QWYLAUJZZYVINL-UHFFFAOYSA-N 1 0 374.293 3.282 20 10 FGCDRO COc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1OC ZINC000895691916 742440301 /nfs/dbraw/zinc/44/03/01/742440301.db2.gz KMYVKPJEIKUAKO-OAHLLOKOSA-N 1 0 369.820 3.415 20 10 FGCDRO Cc1nc(CC2CC[NH+](Cc3cc(Br)ccc3O)CC2)no1 ZINC000896550911 742564687 /nfs/dbraw/zinc/56/46/87/742564687.db2.gz HCJQSYCMWJQJRT-UHFFFAOYSA-N 1 0 366.259 3.301 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c1O ZINC000896968017 742623554 /nfs/dbraw/zinc/62/35/54/742623554.db2.gz CBWXYUZLONMWPN-CYBMUJFWSA-N 1 0 362.451 3.024 20 10 FGCDRO OC1CC2(C[C@@H]2[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000897843592 742718108 /nfs/dbraw/zinc/71/81/08/742718108.db2.gz COTGSOZPKIBYHY-GMXGEUMGSA-N 1 0 365.315 3.442 20 10 FGCDRO COc1ccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)cc1Cl ZINC000905617079 744037043 /nfs/dbraw/zinc/03/70/43/744037043.db2.gz BKFZNWOLVYGHMJ-UHFFFAOYSA-N 1 0 350.875 3.296 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)COCc2cccs2)C2CC2)cc1 ZINC000917013463 758164746 /nfs/dbraw/zinc/16/47/46/758164746.db2.gz BMYSTRVAGCKRJW-LJQANCHMSA-N 1 0 360.523 3.356 20 10 FGCDRO CCOc1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1O ZINC000922801550 759007454 /nfs/dbraw/zinc/00/74/54/759007454.db2.gz BCAZCZKXQGUROI-UHFFFAOYSA-N 1 0 366.259 3.029 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(Br)ccc1O ZINC000927059273 759883472 /nfs/dbraw/zinc/88/34/72/759883472.db2.gz APKFKVRDQOTXRD-VGKMCQHDSA-N 1 0 356.260 3.488 20 10 FGCDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000933124232 761320869 /nfs/dbraw/zinc/32/08/69/761320869.db2.gz CJLGVUREHWTSHM-SFHVURJKSA-N 1 0 357.523 3.353 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000044862802 494385397 /nfs/dbraw/zinc/38/53/97/494385397.db2.gz FEHFHEBGSRGENJ-FQEVSTJZSA-N 1 0 372.534 3.237 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c(O)c1 ZINC000093016276 494809060 /nfs/dbraw/zinc/80/90/60/494809060.db2.gz NUUCNZVZNBDHIB-UHFFFAOYSA-N 1 0 361.511 3.345 20 10 FGCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000127697939 494983141 /nfs/dbraw/zinc/98/31/41/494983141.db2.gz WFCATXONOKUZBN-SFHVURJKSA-N 1 0 373.541 3.355 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)n1-c1ccccn1 ZINC000119230597 495122516 /nfs/dbraw/zinc/12/25/16/495122516.db2.gz FKQURGCJFYJTGV-MJGOQNOKSA-N 1 0 352.482 3.045 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000113327951 495296253 /nfs/dbraw/zinc/29/62/53/495296253.db2.gz JQJWLPGBTXUHPC-UHFFFAOYSA-N 1 0 362.495 3.019 20 10 FGCDRO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ccn1 ZINC000580516041 505776137 /nfs/dbraw/zinc/77/61/37/505776137.db2.gz LUKIGRTXXXZQAR-UHFFFAOYSA-N 1 0 362.477 3.172 20 10 FGCDRO Cc1cc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)ccc1F ZINC000105507037 495366548 /nfs/dbraw/zinc/36/65/48/495366548.db2.gz GISDNXXPSIGKOR-GDNBJRDFSA-N 1 0 350.484 3.430 20 10 FGCDRO CN(C)c1ccc(CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)cc1F ZINC000131043972 495484394 /nfs/dbraw/zinc/48/43/94/495484394.db2.gz IZKYZNONWYPLRQ-UHFFFAOYSA-N 1 0 362.493 3.098 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839300 495598508 /nfs/dbraw/zinc/59/85/08/495598508.db2.gz QAQGIHLCQYGUJM-OAHLLOKOSA-N 1 0 370.449 3.260 20 10 FGCDRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C)ccc1O ZINC000179572175 495645957 /nfs/dbraw/zinc/64/59/57/495645957.db2.gz BBJZOQVBRCKZBJ-UHFFFAOYSA-N 1 0 355.438 3.120 20 10 FGCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cc(Br)ccc2O)C1 ZINC000156376541 496228815 /nfs/dbraw/zinc/22/88/15/496228815.db2.gz LHMREKVZXZQWMI-GXTWGEPZSA-N 1 0 355.276 3.206 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCCc1nc(-c3ccc(F)cc3)no1)OCO2 ZINC000184173062 496271436 /nfs/dbraw/zinc/27/14/36/496271436.db2.gz TWMORLOZACKEAL-UHFFFAOYSA-N 1 0 371.368 3.032 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1cc(Br)ccc1O ZINC000156562718 496279370 /nfs/dbraw/zinc/27/93/70/496279370.db2.gz NWYVADGRUWKSSF-MFKMUULPSA-N 1 0 364.305 3.019 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCC2 ZINC000181563004 496447362 /nfs/dbraw/zinc/44/73/62/496447362.db2.gz XJSFBDUAYJQPIF-VQTJNVASSA-N 1 0 362.489 3.224 20 10 FGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685356 496492315 /nfs/dbraw/zinc/49/23/15/496492315.db2.gz PTHCUUJQHBQINC-ZDUSSCGKSA-N 1 0 354.878 3.183 20 10 FGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175801141 496550559 /nfs/dbraw/zinc/55/05/59/496550559.db2.gz AWGROMNCOJNHHO-UHFFFAOYSA-N 1 0 368.525 3.269 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109184 496664766 /nfs/dbraw/zinc/66/47/66/496664766.db2.gz CVGKKRMRHAALCJ-GJZGRUSLSA-N 1 0 362.495 3.363 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154079988 496677766 /nfs/dbraw/zinc/67/77/66/496677766.db2.gz XBTISRJXJQKHST-BEFAXECRSA-N 1 0 361.461 3.209 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000185172577 496690925 /nfs/dbraw/zinc/69/09/25/496690925.db2.gz DCLWMARXHJAIBZ-HNNXBMFYSA-N 1 0 354.450 3.356 20 10 FGCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)cc(C)c2O)n1 ZINC000191511282 496791501 /nfs/dbraw/zinc/79/15/01/496791501.db2.gz HIHWXPIAIYDTAZ-UHFFFAOYSA-N 1 0 354.859 3.320 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000268854826 496804617 /nfs/dbraw/zinc/80/46/17/496804617.db2.gz UDOVZJIRWVWUGL-OAHLLOKOSA-N 1 0 361.511 3.365 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1C ZINC000273464302 496814382 /nfs/dbraw/zinc/81/43/82/496814382.db2.gz QWIUCTMICSIMAS-APWZRJJASA-N 1 0 353.466 3.246 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000278108125 497007836 /nfs/dbraw/zinc/00/78/36/497007836.db2.gz AXJGQADFMWWWJD-DZGCQCFKSA-N 1 0 350.459 3.278 20 10 FGCDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000237095460 497190260 /nfs/dbraw/zinc/19/02/60/497190260.db2.gz WQERZQBVNKKDSP-UHFFFAOYSA-N 1 0 366.509 3.228 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C ZINC000192910402 497244396 /nfs/dbraw/zinc/24/43/96/497244396.db2.gz YFRMZHVWCCSUFA-ZIAGYGMSSA-N 1 0 350.413 3.341 20 10 FGCDRO Cc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)c(C)n1-c1cccc(C)c1 ZINC000237820227 497296951 /nfs/dbraw/zinc/29/69/51/497296951.db2.gz BLUGPECAOGQWEA-UHFFFAOYSA-N 1 0 369.509 3.373 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)ccc1O ZINC000279017259 497304467 /nfs/dbraw/zinc/30/44/67/497304467.db2.gz UKKLQRNKLJAYBS-VXGBXAGGSA-N 1 0 350.260 3.264 20 10 FGCDRO Fc1cc(C[NH2+]Cc2ccnn2-c2ccccc2)ccc1N1CCOCC1 ZINC000279038164 497313364 /nfs/dbraw/zinc/31/33/64/497313364.db2.gz CIDDGCNAIYCGFQ-UHFFFAOYSA-N 1 0 366.440 3.138 20 10 FGCDRO CCOc1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1O ZINC000271314013 497317627 /nfs/dbraw/zinc/31/76/27/497317627.db2.gz RXKPSRRIAYAKIN-OAHLLOKOSA-N 1 0 366.255 3.377 20 10 FGCDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000275707982 497409738 /nfs/dbraw/zinc/40/97/38/497409738.db2.gz UBLMRHVQFKQMIH-UGKGYDQZSA-N 1 0 373.541 3.072 20 10 FGCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000266864197 497433723 /nfs/dbraw/zinc/43/37/23/497433723.db2.gz VNZOKLKTWOEHOX-UHFFFAOYSA-N 1 0 355.482 3.216 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000272463679 497635764 /nfs/dbraw/zinc/63/57/64/497635764.db2.gz HNAGLGZVRXBBIH-FQEVSTJZSA-N 1 0 374.525 3.107 20 10 FGCDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000272794147 497732425 /nfs/dbraw/zinc/73/24/25/497732425.db2.gz YENRPGGKBKPKGI-MRXNPFEDSA-N 1 0 353.466 3.332 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1OC ZINC000296095117 497918600 /nfs/dbraw/zinc/91/86/00/497918600.db2.gz TVLAGWZPJXFAMT-KRWDZBQOSA-N 1 0 351.468 3.320 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@H]31)OCO2 ZINC000285176815 498013914 /nfs/dbraw/zinc/01/39/14/498013914.db2.gz QTQRXBUKSMROAL-KZNAEPCWSA-N 1 0 353.418 3.125 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000281267290 498081097 /nfs/dbraw/zinc/08/10/97/498081097.db2.gz WUGMPPMGQDYTPI-YPMHNXCESA-N 1 0 355.276 3.064 20 10 FGCDRO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000364725129 498114696 /nfs/dbraw/zinc/11/46/96/498114696.db2.gz SSLOISLZPXVGMS-KRWDZBQOSA-N 1 0 358.482 3.015 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)nc(C)c3C)CC2)cc1 ZINC000301708556 498233524 /nfs/dbraw/zinc/23/35/24/498233524.db2.gz WPLGDIGXPNXIAI-UHFFFAOYSA-N 1 0 369.513 3.035 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc2ccccc2c1O ZINC000360167316 498251651 /nfs/dbraw/zinc/25/16/51/498251651.db2.gz ZQGQSZCUOPAAPU-KUHUBIRLSA-N 1 0 351.450 3.462 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1O ZINC000365022289 498261460 /nfs/dbraw/zinc/26/14/60/498261460.db2.gz SVWVMSVFDBRMQU-UHFFFAOYSA-N 1 0 351.809 3.421 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C1(Cc3cccc(F)c3)CCOCC1)OCO2 ZINC000293210846 498308191 /nfs/dbraw/zinc/30/81/91/498308191.db2.gz YHBYJVQHCFCXGV-UHFFFAOYSA-N 1 0 359.397 3.142 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)n1-c1ccccn1 ZINC000286638569 498461334 /nfs/dbraw/zinc/46/13/34/498461334.db2.gz BDEOEMYIKXXZIY-IEBWSBKVSA-N 1 0 352.482 3.188 20 10 FGCDRO O=S1(=O)CC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000293790053 498489654 /nfs/dbraw/zinc/48/96/54/498489654.db2.gz QOGAPJUAZZDDIP-MJGOQNOKSA-N 1 0 359.491 3.090 20 10 FGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)c1cc(Br)ccc1O ZINC000290418415 498545433 /nfs/dbraw/zinc/54/54/33/498545433.db2.gz UQKXFQFWCMNRII-CYBMUJFWSA-N 1 0 364.305 3.019 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]c4nccnc34)C2)cc1 ZINC000290928065 498726710 /nfs/dbraw/zinc/72/67/10/498726710.db2.gz RMSNWACFGHDMID-CQSZACIVSA-N 1 0 373.407 3.318 20 10 FGCDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287355696 498728397 /nfs/dbraw/zinc/72/83/97/498728397.db2.gz HBTLKIUQXWAQLH-INIZCTEOSA-N 1 0 350.478 3.398 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Cl)c1[O-] ZINC000287540853 498791380 /nfs/dbraw/zinc/79/13/80/498791380.db2.gz FAQSVJKJSCNRRL-LSDHHAIUSA-N 1 0 362.861 3.015 20 10 FGCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000291179367 498831097 /nfs/dbraw/zinc/83/10/97/498831097.db2.gz KUGBNJNEIGASID-UHFFFAOYSA-N 1 0 358.457 3.333 20 10 FGCDRO COc1cc(Cl)cc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294913787 498847030 /nfs/dbraw/zinc/84/70/30/498847030.db2.gz YDHIZZPUONXJOX-UHFFFAOYSA-N 1 0 360.841 3.318 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000366294321 498862012 /nfs/dbraw/zinc/86/20/12/498862012.db2.gz LJKMNNOMGQFOCS-KBPBESRZSA-N 1 0 368.403 3.496 20 10 FGCDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295048007 498892097 /nfs/dbraw/zinc/89/20/97/498892097.db2.gz JTPLUYNWSJUPKY-UHFFFAOYSA-N 1 0 372.440 3.221 20 10 FGCDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)C(F)(F)F ZINC000291491022 498961925 /nfs/dbraw/zinc/96/19/25/498961925.db2.gz GPUWEUBARHVEQY-ZDUSSCGKSA-N 1 0 366.383 3.436 20 10 FGCDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295387277 499001436 /nfs/dbraw/zinc/00/14/36/499001436.db2.gz QONBYTNSGIYTQH-FQEVSTJZSA-N 1 0 373.541 3.183 20 10 FGCDRO C[C@@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000363863901 499029081 /nfs/dbraw/zinc/02/90/81/499029081.db2.gz KRSXYIKSJLDNCR-LRVUVFPRSA-N 1 0 372.918 3.043 20 10 FGCDRO Cn1c(Cl)cnc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000366929068 499118256 /nfs/dbraw/zinc/11/82/56/499118256.db2.gz YLSOXJPKTNXYMV-UHFFFAOYSA-N 1 0 370.831 3.434 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1O ZINC000372699068 499162814 /nfs/dbraw/zinc/16/28/14/499162814.db2.gz BXKTYXMCYPRVRL-UHFFFAOYSA-N 1 0 374.872 3.166 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000367547717 499211104 /nfs/dbraw/zinc/21/11/04/499211104.db2.gz ZWIJQDJUDFAHQG-DNVCBOLYSA-N 1 0 360.479 3.304 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1cc2c(cc1O)CCCC2 ZINC000370373332 499214302 /nfs/dbraw/zinc/21/43/02/499214302.db2.gz IPMORLPBEIHGHB-DNVCBOLYSA-N 1 0 365.477 3.231 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1F ZINC000370406016 499217312 /nfs/dbraw/zinc/21/73/12/499217312.db2.gz MFQJRWNPUNKGED-RXVVDRJESA-N 1 0 356.489 3.412 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370662591 499241485 /nfs/dbraw/zinc/24/14/85/499241485.db2.gz MTSMECVZNCPUBU-VQIMIIECSA-N 1 0 352.482 3.103 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(N(C)C)cc1 ZINC000370669598 499242501 /nfs/dbraw/zinc/24/25/01/499242501.db2.gz NSUVKZNPRHLGDY-AZUAARDMSA-N 1 0 352.482 3.103 20 10 FGCDRO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370711144 499246987 /nfs/dbraw/zinc/24/69/87/499246987.db2.gz ODZNJYSNHBSSAA-SUMWQHHRSA-N 1 0 372.340 3.157 20 10 FGCDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C2 ZINC000368314605 499284555 /nfs/dbraw/zinc/28/45/55/499284555.db2.gz FEPCLGYGOMNXST-DGCLKSJQSA-N 1 0 350.260 3.325 20 10 FGCDRO O=C(c1ccoc1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000371410900 499322689 /nfs/dbraw/zinc/32/26/89/499322689.db2.gz IMOFUCPALWBUNW-UHFFFAOYSA-N 1 0 350.418 3.487 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(COc3ccccn3)CC2)cc1OC ZINC000371473179 499331510 /nfs/dbraw/zinc/33/15/10/499331510.db2.gz LVDJZRPLWMPBOG-UHFFFAOYSA-N 1 0 358.438 3.095 20 10 FGCDRO Cc1cccnc1NC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000372393376 499428298 /nfs/dbraw/zinc/42/82/98/499428298.db2.gz RRVWJTYPUSKPAV-UHFFFAOYSA-N 1 0 352.482 3.307 20 10 FGCDRO CCn1nccc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378262996 499495786 /nfs/dbraw/zinc/49/57/86/499495786.db2.gz GODVJIXHQLOXHY-UHFFFAOYSA-N 1 0 354.498 3.119 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621097 499711415 /nfs/dbraw/zinc/71/14/15/499711415.db2.gz GHXQSRBWTDSQNP-ZBFHGGJFSA-N 1 0 374.485 3.140 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377919334 499748162 /nfs/dbraw/zinc/74/81/62/499748162.db2.gz MEERZCWFCPMOIY-UHFFFAOYSA-N 1 0 355.482 3.282 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000428091884 500467883 /nfs/dbraw/zinc/46/78/83/500467883.db2.gz NJXGKQNXYURRAG-FAQVEIGNSA-N 1 0 351.494 3.323 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCC[C@@H]3CCC[NH2+]3)ccc21 ZINC000517753763 503826290 /nfs/dbraw/zinc/82/62/90/503826290.db2.gz YSVQMFQKFMIHJE-SFHVURJKSA-N 1 0 357.498 3.167 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CSC[C@H]2C)C1 ZINC000552669020 505530044 /nfs/dbraw/zinc/53/00/44/505530044.db2.gz YMXRNNXEBDTTFF-CRAIPNDOSA-N 1 0 371.550 3.276 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CSC[C@H]2C)C1 ZINC000552669028 505530088 /nfs/dbraw/zinc/53/00/88/505530088.db2.gz YMXRNNXEBDTTFF-QAPCUYQASA-N 1 0 371.550 3.276 20 10 FGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C2CC2)cc1 ZINC000736772928 598716607 /nfs/dbraw/zinc/71/66/07/598716607.db2.gz HWWXVWPZRNJGPG-UHFFFAOYSA-N 1 0 366.444 3.236 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000825418105 608506175 /nfs/dbraw/zinc/50/61/75/608506175.db2.gz XBZJHXHWHSTUCD-UHFFFAOYSA-N 1 0 356.499 3.406 20 10 FGCDRO CCOc1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c(O)c1 ZINC000825639139 608519243 /nfs/dbraw/zinc/51/92/43/608519243.db2.gz RFWUCKFWCMTRDM-UHFFFAOYSA-N 1 0 365.437 3.136 20 10 FGCDRO CCOc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000825643759 608531860 /nfs/dbraw/zinc/53/18/60/608531860.db2.gz TUUYLJHFJKVGPO-UHFFFAOYSA-N 1 0 367.453 3.382 20 10 FGCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434644 608549956 /nfs/dbraw/zinc/54/99/56/608549956.db2.gz CQEWCJMGVCXBNA-CYBMUJFWSA-N 1 0 353.426 3.164 20 10 FGCDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cc2c(cc1O)OCO2 ZINC000093812082 700454942 /nfs/dbraw/zinc/45/49/42/700454942.db2.gz JGDBHOPSYVYLPY-UHFFFAOYSA-N 1 0 362.392 3.217 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000113313022 700570942 /nfs/dbraw/zinc/57/09/42/700570942.db2.gz IAQSBAOPKYIBEL-OAHLLOKOSA-N 1 0 352.887 3.270 20 10 FGCDRO O=C1[C@@H]([NH2+]Cc2ccccc2O)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960680 700575907 /nfs/dbraw/zinc/57/59/07/700575907.db2.gz SYZFMFPZWQAZBD-HNNXBMFYSA-N 1 0 350.340 3.306 20 10 FGCDRO CCn1nccc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000119403041 700628014 /nfs/dbraw/zinc/62/80/14/700628014.db2.gz KUQXLCBBRAFWGS-CQSZACIVSA-N 1 0 350.413 3.263 20 10 FGCDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000127154954 700758183 /nfs/dbraw/zinc/75/81/83/700758183.db2.gz XDRXFFPOINGECD-GJZGRUSLSA-N 1 0 356.507 3.290 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1O ZINC000128837890 700780298 /nfs/dbraw/zinc/78/02/98/700780298.db2.gz JRKDBOOLSFPBJD-GXFFZTMASA-N 1 0 357.292 3.499 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000131428451 700815089 /nfs/dbraw/zinc/81/50/89/700815089.db2.gz GCWQJJDBPLZCIP-LSDHHAIUSA-N 1 0 350.459 3.326 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000152740267 704972182 /nfs/dbraw/zinc/97/21/82/704972182.db2.gz FLMMRWOQFGFGRX-OAHLLOKOSA-N 1 0 363.479 3.051 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154892619 705053521 /nfs/dbraw/zinc/05/35/21/705053521.db2.gz VLNXIVPKYZTWER-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc(Br)ccc2O)c(C)o1 ZINC000174442633 705504473 /nfs/dbraw/zinc/50/44/73/705504473.db2.gz FSSDRADGCXDMAS-INIZCTEOSA-N 1 0 354.244 3.362 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000179990392 705723457 /nfs/dbraw/zinc/72/34/57/705723457.db2.gz GJRPDSFSKPMTLD-UHFFFAOYSA-N 1 0 350.459 3.234 20 10 FGCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC000184240124 705925166 /nfs/dbraw/zinc/92/51/66/705925166.db2.gz BBJIJOMFTWHUAT-UHOFOFEASA-N 1 0 350.434 3.266 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3sccc3C)CC2)cc1 ZINC000237273499 713590127 /nfs/dbraw/zinc/59/01/27/713590127.db2.gz QNPADPQCEVSJAN-UHFFFAOYSA-N 1 0 359.539 3.367 20 10 FGCDRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccccc1O ZINC000237674922 713595920 /nfs/dbraw/zinc/59/59/20/713595920.db2.gz COMRVAQXHVJMAQ-UKRRQHHQSA-N 1 0 350.459 3.242 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000378868292 713974924 /nfs/dbraw/zinc/97/49/24/713974924.db2.gz HHKYVKAIBBQYDC-UHFFFAOYSA-N 1 0 354.878 3.181 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc(Br)ccc1O ZINC000756635660 722968022 /nfs/dbraw/zinc/96/80/22/722968022.db2.gz GMOVHUTYQGBWFD-XHDPSFHLSA-N 1 0 359.333 3.243 20 10 FGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769990618 723702673 /nfs/dbraw/zinc/70/26/73/723702673.db2.gz VKGBJXLVWIGBCQ-DYVFJYSZSA-N 1 0 350.459 3.108 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000783504628 724759294 /nfs/dbraw/zinc/75/92/94/724759294.db2.gz IAMLYBVOTWPWTD-ZDUSSCGKSA-N 1 0 368.524 3.335 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734843233 722510506 /nfs/dbraw/zinc/51/05/06/722510506.db2.gz HJPWESFWZRKEPQ-ZWKOTPCHSA-N 1 0 352.400 3.377 20 10 FGCDRO OC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCCN(Cc2ccccc2)C1 ZINC000734846575 722510568 /nfs/dbraw/zinc/51/05/68/722510568.db2.gz YFRHRCNCCQAQAS-HXUWFJFHSA-N 1 0 360.885 3.162 20 10 FGCDRO CCC[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000743870280 722572105 /nfs/dbraw/zinc/57/21/05/722572105.db2.gz OKUAJMDGBVOABK-UHFFFAOYSA-N 1 0 363.479 3.087 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1C(C)(C)C1(C)C ZINC000746600265 722609978 /nfs/dbraw/zinc/60/99/78/722609978.db2.gz MRQZPNVZLZMUNG-HNNXBMFYSA-N 1 0 364.555 3.082 20 10 FGCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CCC1 ZINC000754101510 722927485 /nfs/dbraw/zinc/92/74/85/722927485.db2.gz GHZZKSWQUBQLFE-GFCCVEGCSA-N 1 0 369.303 3.420 20 10 FGCDRO C[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc(Br)cc1O ZINC000756364126 722963429 /nfs/dbraw/zinc/96/34/29/722963429.db2.gz ULOVVNLWNYXEHA-NSHDSACASA-N 1 0 361.243 3.091 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2c1c(F)ccc2O ZINC000756384071 722963756 /nfs/dbraw/zinc/96/37/56/722963756.db2.gz NEBMIZSXSZMBOI-IAQYHMDHSA-N 1 0 364.442 3.241 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000756493487 722965548 /nfs/dbraw/zinc/96/55/48/722965548.db2.gz GAYGWSNESODJPA-OLZOCXBDSA-N 1 0 364.467 3.184 20 10 FGCDRO C[C@H]1CCC[C@@](CNC(=O)NCCCSc2nccs2)([NH+](C)C)C1 ZINC000759567480 723009361 /nfs/dbraw/zinc/00/93/61/723009361.db2.gz HMFLMPAMSHVKQH-WMLDXEAASA-N 1 0 370.588 3.435 20 10 FGCDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c(O)c1 ZINC000790652597 723164270 /nfs/dbraw/zinc/16/42/70/723164270.db2.gz KYCLMDZUQLCDMV-AWEZNQCLSA-N 1 0 363.479 3.435 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1Br ZINC000763425596 723342405 /nfs/dbraw/zinc/34/24/05/723342405.db2.gz RGVFHHGKCRVUEU-GFCCVEGCSA-N 1 0 368.246 3.235 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)Cc2cnccc2C)c1O ZINC000793341354 723426658 /nfs/dbraw/zinc/42/66/58/723426658.db2.gz SFJIPWNSPUSYMS-UHFFFAOYSA-N 1 0 351.244 3.499 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000793365445 723430920 /nfs/dbraw/zinc/43/09/20/723430920.db2.gz LKMYAWCMNWAPCX-QGZVFWFLSA-N 1 0 370.287 3.233 20 10 FGCDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038636 723472360 /nfs/dbraw/zinc/47/23/60/723472360.db2.gz NIARKOIYDLKYKV-BBWFWOEESA-N 1 0 363.933 3.454 20 10 FGCDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978641 723549697 /nfs/dbraw/zinc/54/96/97/723549697.db2.gz DQPCVIVCQVPQCQ-QFBILLFUSA-N 1 0 364.555 3.226 20 10 FGCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)Oc1cc(F)cc(F)c1 ZINC000796442838 723637917 /nfs/dbraw/zinc/63/79/17/723637917.db2.gz QERMEAQDTBKMEF-UHFFFAOYSA-N 1 0 351.349 3.346 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CCn2cc(Br)cn2)cc1F ZINC000796514207 723641250 /nfs/dbraw/zinc/64/12/50/723641250.db2.gz VPRNFHTXIBMDIS-UHFFFAOYSA-N 1 0 369.282 3.421 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000796529011 723641755 /nfs/dbraw/zinc/64/17/55/723641755.db2.gz LKIWVDXNQSCCBC-CHWSQXEVSA-N 1 0 362.499 3.176 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000796531904 723641881 /nfs/dbraw/zinc/64/18/81/723641881.db2.gz MWJYZTKKMQNIQV-KRWDZBQOSA-N 1 0 360.841 3.297 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000796532187 723641895 /nfs/dbraw/zinc/64/18/95/723641895.db2.gz PPBCIGNRQUTTID-VHSXEESVSA-N 1 0 368.890 3.212 20 10 FGCDRO C[C@@H]1SCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768445204 723657671 /nfs/dbraw/zinc/65/76/71/723657671.db2.gz GKWFBARQYRDRLQ-VIZZQPHQSA-N 1 0 357.475 3.497 20 10 FGCDRO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439949 723657707 /nfs/dbraw/zinc/65/77/07/723657707.db2.gz AUAKGLFUABBJHT-MRXNPFEDSA-N 1 0 353.340 3.469 20 10 FGCDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC000772961146 723773402 /nfs/dbraw/zinc/77/34/02/723773402.db2.gz ZAUZWXZRCLQOGB-ZDUSSCGKSA-N 1 0 364.877 3.151 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000797139877 723785823 /nfs/dbraw/zinc/78/58/23/723785823.db2.gz JWXYSMZZZXXDOW-MXWKQRLJSA-N 1 0 366.462 3.259 20 10 FGCDRO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000774134343 723862083 /nfs/dbraw/zinc/86/20/83/723862083.db2.gz YZIWOHJBGWGZRE-AWEZNQCLSA-N 1 0 360.479 3.470 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000775048886 723956085 /nfs/dbraw/zinc/95/60/85/723956085.db2.gz WJLYWSBSXPVKDR-KGLIPLIRSA-N 1 0 350.459 3.278 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CCOCC(F)(F)C(F)F)c1O ZINC000775148140 723964000 /nfs/dbraw/zinc/96/40/00/723964000.db2.gz YJWREMFGRWVQGM-UHFFFAOYSA-N 1 0 374.172 3.470 20 10 FGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1O ZINC000798956185 723979634 /nfs/dbraw/zinc/97/96/34/723979634.db2.gz KUPAWJJUHIRSJA-UHFFFAOYSA-N 1 0 364.795 3.245 20 10 FGCDRO Cc1c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ccn1C ZINC000798980939 723981615 /nfs/dbraw/zinc/98/16/15/723981615.db2.gz FELNUCMDCJIARB-INIZCTEOSA-N 1 0 361.873 3.087 20 10 FGCDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1cc(Cl)ccc1O ZINC000775496296 723995946 /nfs/dbraw/zinc/99/59/46/723995946.db2.gz FXQGBKWVTCIMST-KRWDZBQOSA-N 1 0 362.857 3.411 20 10 FGCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000775497289 723996025 /nfs/dbraw/zinc/99/60/25/723996025.db2.gz OGJSKTOJWXJIGE-INIZCTEOSA-N 1 0 368.886 3.065 20 10 FGCDRO OC[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCCc2ccccc21 ZINC000799343507 724015394 /nfs/dbraw/zinc/01/53/94/724015394.db2.gz HERPMYCHTXTMPT-SFHVURJKSA-N 1 0 362.267 3.468 20 10 FGCDRO COc1ccc(O)c(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000775692612 724025899 /nfs/dbraw/zinc/02/58/99/724025899.db2.gz ZJKRVRRUUDBIMH-OKILXGFUSA-N 1 0 350.459 3.231 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000775739065 724035651 /nfs/dbraw/zinc/03/56/51/724035651.db2.gz CBAMVMSVSBPKEY-DZGCQCFKSA-N 1 0 350.459 3.278 20 10 FGCDRO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834415 724069217 /nfs/dbraw/zinc/06/92/17/724069217.db2.gz NVRJUTJQTQWLBI-CQSZACIVSA-N 1 0 359.436 3.450 20 10 FGCDRO Oc1ccccc1CN(Cc1cc(C(F)(F)F)n[nH]1)C[C@@H]1CCCO1 ZINC000799729858 724088426 /nfs/dbraw/zinc/08/84/26/724088426.db2.gz XIJLLABYPKQDEO-AWEZNQCLSA-N 1 0 355.360 3.315 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000800289541 724176029 /nfs/dbraw/zinc/17/60/29/724176029.db2.gz KPKNBPXZTJVZHB-KRWDZBQOSA-N 1 0 366.255 3.377 20 10 FGCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800493660 724203078 /nfs/dbraw/zinc/20/30/78/724203078.db2.gz PFYGRTIFXHGFHM-KGLIPLIRSA-N 1 0 358.935 3.099 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+]Cc3sccc3Cl)CC2)cc1 ZINC000785436188 724912265 /nfs/dbraw/zinc/91/22/65/724912265.db2.gz OBWTVBBYYWZURD-UHFFFAOYSA-N 1 0 365.930 3.322 20 10 FGCDRO CO[C@@H](CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000786949562 725009846 /nfs/dbraw/zinc/00/98/46/725009846.db2.gz JTFSTZCYWMONMP-WBMJQRKESA-N 1 0 364.383 3.280 20 10 FGCDRO C[N@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1O)CCCC2 ZINC000808243034 725189433 /nfs/dbraw/zinc/18/94/33/725189433.db2.gz UHUIGRLERPPWEK-UHFFFAOYSA-N 1 0 364.287 3.362 20 10 FGCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808676731 725212836 /nfs/dbraw/zinc/21/28/36/725212836.db2.gz PZSWMRBCKOOTQL-CYBMUJFWSA-N 1 0 374.934 3.209 20 10 FGCDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808685512 725213391 /nfs/dbraw/zinc/21/33/91/725213391.db2.gz SMIRUAQRSOBDGV-ZDUSSCGKSA-N 1 0 362.857 3.443 20 10 FGCDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000808695291 725213565 /nfs/dbraw/zinc/21/35/65/725213565.db2.gz KTURYAPTNXBHBX-SJORKVTESA-N 1 0 352.544 3.226 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000808705971 725214451 /nfs/dbraw/zinc/21/44/51/725214451.db2.gz VUPWGGFLJPFDLM-SKDRFNHKSA-N 1 0 350.768 3.168 20 10 FGCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1O ZINC000810207936 725296789 /nfs/dbraw/zinc/29/67/89/725296789.db2.gz QWXLFOHIVLQIBB-CYBMUJFWSA-N 1 0 356.344 3.475 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810219445 725297694 /nfs/dbraw/zinc/29/76/94/725297694.db2.gz RUZYWZXWRLRHAW-XJKSGUPXSA-N 1 0 360.420 3.420 20 10 FGCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810238801 725298832 /nfs/dbraw/zinc/29/88/32/725298832.db2.gz SRULDNPBZHIWCO-LBPRGKRZSA-N 1 0 351.390 3.029 20 10 FGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811931894 725385120 /nfs/dbraw/zinc/38/51/20/725385120.db2.gz VATPRLLNHQBRNE-LBPRGKRZSA-N 1 0 372.307 3.074 20 10 FGCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811930527 725385128 /nfs/dbraw/zinc/38/51/28/725385128.db2.gz VATPRLLNHQBRNE-GFCCVEGCSA-N 1 0 372.307 3.074 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000816642128 727183973 /nfs/dbraw/zinc/18/39/73/727183973.db2.gz QBBYRGVOSMOZPQ-KRWDZBQOSA-N 1 0 353.304 3.381 20 10 FGCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[C@@H]1CCS(=O)(=O)C1 ZINC000817297753 727238147 /nfs/dbraw/zinc/23/81/47/727238147.db2.gz AFTLRVBLTHUKNG-NVXWUHKLSA-N 1 0 351.512 3.155 20 10 FGCDRO CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1cc(Br)ccc1O ZINC000818346867 727308803 /nfs/dbraw/zinc/30/88/03/727308803.db2.gz VPPATHWYOCLUGJ-ZDUSSCGKSA-N 1 0 353.264 3.315 20 10 FGCDRO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964539 727331687 /nfs/dbraw/zinc/33/16/87/727331687.db2.gz ZCOVJNXITYPHDW-OAQYLSRUSA-N 1 0 356.535 3.323 20 10 FGCDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC000819001860 727336531 /nfs/dbraw/zinc/33/65/31/727336531.db2.gz GNECBWSDYGCCFB-OAHLLOKOSA-N 1 0 368.346 3.160 20 10 FGCDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCCSc2nccs2)c(C)c1 ZINC000819063717 727343705 /nfs/dbraw/zinc/34/37/05/727343705.db2.gz QBGXKTBWJMLEHQ-HNNXBMFYSA-N 1 0 352.525 3.272 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3ccc(Cl)cc3)C2)cc1 ZINC000819381546 727372207 /nfs/dbraw/zinc/37/22/07/727372207.db2.gz YMQSLXHDGYFHJX-QRWLVFNGSA-N 1 0 360.885 3.498 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000822525727 729190265 /nfs/dbraw/zinc/19/02/65/729190265.db2.gz LCAKCBCLPKEHOQ-DNVCBOLYSA-N 1 0 363.841 3.371 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000822526322 729190898 /nfs/dbraw/zinc/19/08/98/729190898.db2.gz SNLSNLQSIFNEOT-GOSISDBHSA-N 1 0 369.889 3.102 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccsc3C)cc2F)CC1 ZINC000823162105 729257745 /nfs/dbraw/zinc/25/77/45/729257745.db2.gz ORHVTSOFBBYPDY-UHFFFAOYSA-N 1 0 361.486 3.268 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C(F)(F)F)cc1O ZINC000824583764 729349082 /nfs/dbraw/zinc/34/90/82/729349082.db2.gz QHLGVGZWKMPSGE-GOEBONIOSA-N 1 0 360.420 3.299 20 10 FGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000824632266 729351723 /nfs/dbraw/zinc/35/17/23/729351723.db2.gz BWFFXJSFLQSIQY-GFCCVEGCSA-N 1 0 368.886 3.194 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1Cl ZINC000825369422 729380806 /nfs/dbraw/zinc/38/08/06/729380806.db2.gz BJKBHHMXAOQJAM-ZDUSSCGKSA-N 1 0 362.821 3.009 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1Cl ZINC000825940004 729400150 /nfs/dbraw/zinc/40/01/50/729400150.db2.gz KJLVGQVIBDBXES-AWEZNQCLSA-N 1 0 362.857 3.454 20 10 FGCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Br)cc1O)c1cccnc1 ZINC000826012406 729402382 /nfs/dbraw/zinc/40/23/82/729402382.db2.gz NZCIWFPLHIHGNQ-MRXNPFEDSA-N 1 0 365.271 3.399 20 10 FGCDRO CCN(CC)c1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000827855829 729436096 /nfs/dbraw/zinc/43/60/96/729436096.db2.gz JEFPFFIVPBUVLJ-SFHVURJKSA-N 1 0 351.510 3.215 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000827943603 729437586 /nfs/dbraw/zinc/43/75/86/729437586.db2.gz XPYGSOANLXKQEY-GOSISDBHSA-N 1 0 362.857 3.443 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000832274046 729701524 /nfs/dbraw/zinc/70/15/24/729701524.db2.gz RIPKTUIEDMRHBD-SQWLQELKSA-N 1 0 357.420 3.237 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cccc(Cl)c2Cl)cc1 ZINC000832283711 729702074 /nfs/dbraw/zinc/70/20/74/729702074.db2.gz ALSXUZCDROPERD-INIZCTEOSA-N 1 0 366.292 3.418 20 10 FGCDRO Cc1ccc(SCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000832284020 729702261 /nfs/dbraw/zinc/70/22/61/729702261.db2.gz GEXKCKZVMPQYQP-SFHVURJKSA-N 1 0 357.523 3.278 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000834836104 729838205 /nfs/dbraw/zinc/83/82/05/729838205.db2.gz LJRFVLJYELZVHE-LFUGVXIPSA-N 1 0 355.475 3.273 20 10 FGCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835052441 729853428 /nfs/dbraw/zinc/85/34/28/729853428.db2.gz OJTHGYHAFKEFRP-CHYADLBTSA-N 1 0 356.388 3.193 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000835067909 729855262 /nfs/dbraw/zinc/85/52/62/729855262.db2.gz WVRJIDCNZNGUSQ-HNNXBMFYSA-N 1 0 370.877 3.080 20 10 FGCDRO CSc1ccc([C@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1 ZINC000838062311 730088062 /nfs/dbraw/zinc/08/80/62/730088062.db2.gz SFUPJZSAAKZOMF-KRWDZBQOSA-N 1 0 359.495 3.216 20 10 FGCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1(C)C ZINC000840759851 730170442 /nfs/dbraw/zinc/17/04/42/730170442.db2.gz OKZAOXOCWTYIEA-SJORKVTESA-N 1 0 354.441 3.095 20 10 FGCDRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000840876346 730186761 /nfs/dbraw/zinc/18/67/61/730186761.db2.gz MCZJNUHOUOMCAH-JTQLQIEISA-N 1 0 364.305 3.019 20 10 FGCDRO Cc1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)nn1C ZINC000840890538 730188654 /nfs/dbraw/zinc/18/86/54/730188654.db2.gz NTNBBLKCZHDFNL-UHFFFAOYSA-N 1 0 350.413 3.089 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000840949367 730195521 /nfs/dbraw/zinc/19/55/21/730195521.db2.gz UFMFTEYSLFMUNO-GFCCVEGCSA-N 1 0 351.855 3.015 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000840956602 730196829 /nfs/dbraw/zinc/19/68/29/730196829.db2.gz YZBTVJLCJRCPIM-UHFFFAOYSA-N 1 0 366.914 3.489 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1O ZINC000840961143 730197916 /nfs/dbraw/zinc/19/79/16/730197916.db2.gz RBSQZYDJBUIGCD-OAHLLOKOSA-N 1 0 364.829 3.264 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000840963149 730198354 /nfs/dbraw/zinc/19/83/54/730198354.db2.gz LMFFRHBTODWMFL-CYBMUJFWSA-N 1 0 354.219 3.160 20 10 FGCDRO Nc1ccc(CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000841036028 730205172 /nfs/dbraw/zinc/20/51/72/730205172.db2.gz SAAYAZLKEAPPHF-UHFFFAOYSA-N 1 0 357.885 3.359 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(Br)ccc2F)cc1 ZINC000841041258 730205476 /nfs/dbraw/zinc/20/54/76/730205476.db2.gz ZAAWZSHJKRAKTI-QGZVFWFLSA-N 1 0 366.278 3.444 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2c(F)cccc2Br)cc1 ZINC000841044519 730205781 /nfs/dbraw/zinc/20/57/81/730205781.db2.gz ZNKOIFHMULXCBI-QGZVFWFLSA-N 1 0 366.278 3.444 20 10 FGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841086965 730209143 /nfs/dbraw/zinc/20/91/43/730209143.db2.gz GHEZBHOZGVEMJM-UHFFFAOYSA-N 1 0 358.313 3.005 20 10 FGCDRO COc1cc(C)ccc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000841495930 730249176 /nfs/dbraw/zinc/24/91/76/730249176.db2.gz LZWSWNQCISQUSB-WJDWOHSUSA-N 1 0 362.520 3.299 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NCC3([NH3+])CCC3)cc2Cl)C1 ZINC000841895574 730284007 /nfs/dbraw/zinc/28/40/07/730284007.db2.gz DQSCDSAGHPLXOM-CQSZACIVSA-N 1 0 364.921 3.257 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000843406340 730616053 /nfs/dbraw/zinc/61/60/53/730616053.db2.gz HIAIMMUDOXQPQL-UKRRQHHQSA-N 1 0 350.459 3.136 20 10 FGCDRO C[N@H+](CCNC(=O)NCc1cc(Cl)ccc1O)Cc1ccc(F)cc1 ZINC000845024280 730803100 /nfs/dbraw/zinc/80/31/00/730803100.db2.gz YOIGJAKMRNRIMK-UHFFFAOYSA-N 1 0 365.836 3.116 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1O ZINC000846138168 730931402 /nfs/dbraw/zinc/93/14/02/730931402.db2.gz UGYXZZXXQQAOLA-GDBMZVCRSA-N 1 0 362.495 3.186 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846164314 730933026 /nfs/dbraw/zinc/93/30/26/730933026.db2.gz NXAMHRFAYUZHMF-ZNMIVQPWSA-N 1 0 350.459 3.308 20 10 FGCDRO CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000846210892 730936766 /nfs/dbraw/zinc/93/67/66/730936766.db2.gz CWRLSBPQJZQZDL-ZBFHGGJFSA-N 1 0 358.276 3.127 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846674078 730972124 /nfs/dbraw/zinc/97/21/24/730972124.db2.gz ZDOQHBIYHSRZRX-HUUCEWRRSA-N 1 0 367.287 3.034 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOc2cccnc2)c1O ZINC000848529969 731176064 /nfs/dbraw/zinc/17/60/64/731176064.db2.gz APQWSHORVCHASE-LLVKDONJSA-N 1 0 367.243 3.288 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c1O ZINC000848533133 731176694 /nfs/dbraw/zinc/17/66/94/731176694.db2.gz OGZSOHTYTBOBKQ-GMXVVIOVSA-N 1 0 358.276 3.365 20 10 FGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848545948 731179010 /nfs/dbraw/zinc/17/90/10/731179010.db2.gz OAJIOGJEBVTLED-RIEGTJTDSA-N 1 0 374.275 3.008 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1O ZINC000848575581 731184423 /nfs/dbraw/zinc/18/44/23/731184423.db2.gz SPTAWTUQMLXJMC-HUUCEWRRSA-N 1 0 369.303 3.270 20 10 FGCDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000850136276 731324274 /nfs/dbraw/zinc/32/42/74/731324274.db2.gz XIQCUZFLCMEMSR-SFHVURJKSA-N 1 0 364.555 3.370 20 10 FGCDRO COc1cc(C[NH2+]CCS(=O)(=O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850134689 731324369 /nfs/dbraw/zinc/32/43/69/731324369.db2.gz GEGXPBLFEQLNBU-UHFFFAOYSA-N 1 0 357.516 3.001 20 10 FGCDRO COC[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C1CCOCC1 ZINC000850351057 731346486 /nfs/dbraw/zinc/34/64/86/731346486.db2.gz JVSJKBRVZVMYNM-SFHVURJKSA-N 1 0 351.487 3.230 20 10 FGCDRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(Br)cc1O ZINC000850491721 731363054 /nfs/dbraw/zinc/36/30/54/731363054.db2.gz BAPOISXTTDWSIK-FHZGZLOMSA-N 1 0 374.222 3.116 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1O ZINC000850563298 731373725 /nfs/dbraw/zinc/37/37/25/731373725.db2.gz VRQXTWXTOVQDAW-ZFWWWQNUSA-N 1 0 351.878 3.295 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Br)Cc1ccccc1 ZINC000858106360 732181218 /nfs/dbraw/zinc/18/12/18/732181218.db2.gz HVRZKKVDGHXQEV-CQSZACIVSA-N 1 0 350.256 3.096 20 10 FGCDRO CC(C)CC(=O)N1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858118238 732182204 /nfs/dbraw/zinc/18/22/04/732182204.db2.gz SZSQOSGSCUJERC-UHFFFAOYSA-N 1 0 353.457 3.158 20 10 FGCDRO CC1(C)CCC[C@](CO)([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858250265 732196999 /nfs/dbraw/zinc/19/69/99/732196999.db2.gz AYESOURNYAAWLL-FQEVSTJZSA-N 1 0 350.478 3.083 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000858563778 732227471 /nfs/dbraw/zinc/22/74/71/732227471.db2.gz UZLJNRWMCYIXRN-SECBINFHSA-N 1 0 353.216 3.115 20 10 FGCDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000862242001 732795927 /nfs/dbraw/zinc/79/59/27/732795927.db2.gz RSKFDNQHYRJZJA-JQWIXIFHSA-N 1 0 354.166 3.042 20 10 FGCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1F ZINC000862292231 732806100 /nfs/dbraw/zinc/80/61/00/732806100.db2.gz DEYKMMQNASJICJ-IBGZPJMESA-N 1 0 350.384 3.263 20 10 FGCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862350225 732812842 /nfs/dbraw/zinc/81/28/42/732812842.db2.gz MEXYPUHORFJQBI-GFCCVEGCSA-N 1 0 350.260 3.268 20 10 FGCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@@H]1C(F)(F)F ZINC000862364618 732816731 /nfs/dbraw/zinc/81/67/31/732816731.db2.gz FLDZITRSSBZHGD-ONGXEEELSA-N 1 0 368.193 3.147 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862403267 732826157 /nfs/dbraw/zinc/82/61/57/732826157.db2.gz OLCKLAOBXXIDRF-MLGOLLRUSA-N 1 0 370.877 3.160 20 10 FGCDRO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862420544 732830728 /nfs/dbraw/zinc/83/07/28/732830728.db2.gz PXBKSXHXAJWZHU-UHFFFAOYSA-N 1 0 350.260 3.462 20 10 FGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3c(O)cccc3OC)CC2)s1 ZINC000862473984 732839428 /nfs/dbraw/zinc/83/94/28/732839428.db2.gz JXRUYAGFVWSZRS-UHFFFAOYSA-N 1 0 362.451 3.024 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)c1O ZINC000866473640 733354778 /nfs/dbraw/zinc/35/47/78/733354778.db2.gz FPXLSWUSBPYBIL-CQSZACIVSA-N 1 0 359.495 3.200 20 10 FGCDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)on1 ZINC000866514963 733359429 /nfs/dbraw/zinc/35/94/29/733359429.db2.gz XMZMCXQAIREOPS-VIFPVBQESA-N 1 0 369.215 3.170 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1O ZINC000866531280 733361449 /nfs/dbraw/zinc/36/14/49/733361449.db2.gz FHXZACVQPSMMHS-OCCSQVGLSA-N 1 0 370.287 3.391 20 10 FGCDRO CCc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794425 735677477 /nfs/dbraw/zinc/67/74/77/735677477.db2.gz IXARGXYXAIRMPF-RDJZCZTQSA-N 1 0 365.539 3.119 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000873014139 735709435 /nfs/dbraw/zinc/70/94/35/735709435.db2.gz MMDZZYSYPVPDMC-UHFFFAOYSA-N 1 0 362.495 3.445 20 10 FGCDRO CO[C@@H]1C[C@H]2C[N@H+](Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687900 736705146 /nfs/dbraw/zinc/70/51/46/736705146.db2.gz NFAMACDFUJXEJN-LSDHHAIUSA-N 1 0 359.857 3.050 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000883253347 737541585 /nfs/dbraw/zinc/54/15/85/737541585.db2.gz PJBLNCGDFGTSDY-CYBMUJFWSA-N 1 0 370.287 3.220 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000886669645 739280514 /nfs/dbraw/zinc/28/05/14/739280514.db2.gz BODBWKGVSPJKCO-UBHSHLNASA-N 1 0 358.276 3.044 20 10 FGCDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)CC1 ZINC000897218921 742655103 /nfs/dbraw/zinc/65/51/03/742655103.db2.gz QSIGPTWHIVJKFT-CYBMUJFWSA-N 1 0 360.479 3.116 20 10 FGCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)ccc1[N+](=O)[O-] ZINC000897298756 742665389 /nfs/dbraw/zinc/66/53/89/742665389.db2.gz IFSFDUSACDUIRP-LBPRGKRZSA-N 1 0 363.439 3.139 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1Cl ZINC000898283323 742768765 /nfs/dbraw/zinc/76/87/65/742768765.db2.gz YUEOJHNWJUVHQE-UHFFFAOYSA-N 1 0 368.886 3.040 20 10 FGCDRO C[C@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1cc(F)ccc1O ZINC000903263667 743832038 /nfs/dbraw/zinc/83/20/38/743832038.db2.gz NJGMBPIRVRFJFT-ZVLZOBCMSA-N 1 0 361.404 3.385 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000922688781 758981688 /nfs/dbraw/zinc/98/16/88/758981688.db2.gz JXLUTNKWOHFCCU-UHFFFAOYSA-N 1 0 353.871 3.172 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3[C@@H](C)COC[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000924716215 759375806 /nfs/dbraw/zinc/37/58/06/759375806.db2.gz NVZFUOQCSHRKKU-YFSSQWDJSA-N 1 0 350.478 3.200 20 10 FGCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)C3(Br)CC3)C2)cc1 ZINC000926612271 759789559 /nfs/dbraw/zinc/78/95/59/759789559.db2.gz NHBXGSUCRIIEMU-KBPBESRZSA-N 1 0 353.304 3.427 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c1O ZINC000927156035 759909111 /nfs/dbraw/zinc/90/91/11/759909111.db2.gz LYERLLDCUIJBSX-TUKIKUTGSA-N 1 0 370.287 3.044 20 10 FGCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779022747 724381597 /nfs/dbraw/zinc/38/15/97/724381597.db2.gz YRPJEIFQSLWTMD-AAEUAGOBSA-N 1 0 371.275 3.345 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)ccc1OC ZINC000051188618 493953429 /nfs/dbraw/zinc/95/34/29/493953429.db2.gz GSRCQYPIFJINMC-HXUWFJFHSA-N 1 0 368.477 3.122 20 10 FGCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000062587241 494017713 /nfs/dbraw/zinc/01/77/13/494017713.db2.gz DAMDJHJMMYAYNG-XGBCSFPLSA-N 1 0 367.453 3.497 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000072878852 494274461 /nfs/dbraw/zinc/27/44/61/494274461.db2.gz QFXZVDDXQNVSDP-UHFFFAOYSA-N 1 0 368.506 3.378 20 10 FGCDRO COC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)C ZINC000580276277 505719857 /nfs/dbraw/zinc/71/98/57/505719857.db2.gz LLJRVUBSRLEMCL-LJQANCHMSA-N 1 0 371.525 3.195 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000046983757 494603967 /nfs/dbraw/zinc/60/39/67/494603967.db2.gz QYCJJFGORZDPLP-UHFFFAOYSA-N 1 0 356.514 3.057 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000121184084 494634606 /nfs/dbraw/zinc/63/46/06/494634606.db2.gz DACSTVURFQXIGJ-LLVKDONJSA-N 1 0 366.259 3.266 20 10 FGCDRO Clc1cncc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091676781 494643341 /nfs/dbraw/zinc/64/33/41/494643341.db2.gz YSCACVKAIKYGJA-UHFFFAOYSA-N 1 0 357.889 3.274 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000092645122 494693763 /nfs/dbraw/zinc/69/37/63/494693763.db2.gz OXBKMHAMLIRIAC-UHFFFAOYSA-N 1 0 352.526 3.287 20 10 FGCDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010338 494754637 /nfs/dbraw/zinc/75/46/37/494754637.db2.gz FQJJUQJBEJYRHX-CTNGQTDRSA-N 1 0 368.525 3.356 20 10 FGCDRO COc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1O ZINC000092031060 494760757 /nfs/dbraw/zinc/76/07/57/494760757.db2.gz ZKPVTEVCULTUNN-UHFFFAOYSA-N 1 0 373.428 3.326 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1F ZINC000093669062 494911461 /nfs/dbraw/zinc/91/14/61/494911461.db2.gz XINGKJSWJXJJFN-UHFFFAOYSA-N 1 0 362.493 3.052 20 10 FGCDRO Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)[NH+]2CCCC2)o1 ZINC000102038185 495117490 /nfs/dbraw/zinc/11/74/90/495117490.db2.gz UEMCJDMBPDJMNO-QGZVFWFLSA-N 1 0 357.454 3.272 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)n1-c1ccccn1 ZINC000119230814 495122907 /nfs/dbraw/zinc/12/29/07/495122907.db2.gz FKQURGCJFYJTGV-IEBWSBKVSA-N 1 0 352.482 3.045 20 10 FGCDRO C[C@@H]1C[C@@H](CNC(=O)N(C)Cc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC000119324475 495141929 /nfs/dbraw/zinc/14/19/29/495141929.db2.gz LVZBSOFJAIQNOY-MJGOQNOKSA-N 1 0 367.493 3.444 20 10 FGCDRO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000119710690 495223688 /nfs/dbraw/zinc/22/36/88/495223688.db2.gz KXRDVAFOHOUTPY-INIZCTEOSA-N 1 0 363.502 3.089 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)c1 ZINC000130077110 495338063 /nfs/dbraw/zinc/33/80/63/495338063.db2.gz NCZCDSHQVNFUGP-HIFRSBDPSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000183046128 495812566 /nfs/dbraw/zinc/81/25/66/495812566.db2.gz CPOBHEKORKIRPU-UONOGXRCSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Br)ccc1O ZINC000186091327 495851610 /nfs/dbraw/zinc/85/16/10/495851610.db2.gz XWUIQFNKECJYFE-LLVKDONJSA-N 1 0 355.276 3.112 20 10 FGCDRO Oc1ccccc1C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCCO1 ZINC000160198106 495906752 /nfs/dbraw/zinc/90/67/52/495906752.db2.gz UOOWEKGMPXYOOF-IBGZPJMESA-N 1 0 364.449 3.359 20 10 FGCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000183714568 496090493 /nfs/dbraw/zinc/09/04/93/496090493.db2.gz CONQVJLLHIQUFI-INIZCTEOSA-N 1 0 362.514 3.105 20 10 FGCDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161095751 496102974 /nfs/dbraw/zinc/10/29/74/496102974.db2.gz ZPELOYRNMNEPSJ-OXQOHEQNSA-N 1 0 358.457 3.437 20 10 FGCDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cc(C)ccc3O)CC2)cc1 ZINC000172112688 496169731 /nfs/dbraw/zinc/16/97/31/496169731.db2.gz LOIWPSVCGHFUDG-UHFFFAOYSA-N 1 0 368.477 3.494 20 10 FGCDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000156351937 496221555 /nfs/dbraw/zinc/22/15/55/496221555.db2.gz YVBNQYQWXYYQKG-QGZVFWFLSA-N 1 0 360.477 3.217 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172549137 496336757 /nfs/dbraw/zinc/33/67/57/496336757.db2.gz CKHHWFWNFPYMRP-FQEVSTJZSA-N 1 0 370.541 3.447 20 10 FGCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000175695419 496503834 /nfs/dbraw/zinc/50/38/34/496503834.db2.gz CSBVZRUIQJVEMP-UHFFFAOYSA-N 1 0 362.493 3.098 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCN1C ZINC000157714366 496536708 /nfs/dbraw/zinc/53/67/08/496536708.db2.gz RMQAOLFNRMGNIL-ZBFHGGJFSA-N 1 0 353.457 3.329 20 10 FGCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178727973 496552816 /nfs/dbraw/zinc/55/28/16/496552816.db2.gz IOYFLBRRJFCHQS-OAHLLOKOSA-N 1 0 371.437 3.291 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000184894218 496574155 /nfs/dbraw/zinc/57/41/55/496574155.db2.gz OVUHMMBWZYZGIC-INIZCTEOSA-N 1 0 356.466 3.084 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187798526 496576349 /nfs/dbraw/zinc/57/63/49/496576349.db2.gz OOGWCWZAYQQBQT-VUCTXSBTSA-N 1 0 354.441 3.089 20 10 FGCDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000181965800 496615073 /nfs/dbraw/zinc/61/50/73/496615073.db2.gz UNJILGFOFXUODI-OAHLLOKOSA-N 1 0 371.456 3.472 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCC(=O)Nc3ccccc3)CC2)cc1 ZINC000164983971 496642786 /nfs/dbraw/zinc/64/27/86/496642786.db2.gz HZHISGQWPNPIGZ-UHFFFAOYSA-N 1 0 353.466 3.282 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165803810 496669385 /nfs/dbraw/zinc/66/93/85/496669385.db2.gz QKMYJOGZULEIER-DZGCQCFKSA-N 1 0 356.532 3.162 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154080206 496677007 /nfs/dbraw/zinc/67/70/07/496677007.db2.gz XBTISRJXJQKHST-DNVCBOLYSA-N 1 0 361.461 3.209 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000273288656 496764795 /nfs/dbraw/zinc/76/47/95/496764795.db2.gz RVXCQPDDPWYYEB-PGRDOPGGSA-N 1 0 354.494 3.168 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268757560 496775596 /nfs/dbraw/zinc/77/55/96/496775596.db2.gz MBEQCVBAJYVAGY-SJORKVTESA-N 1 0 350.528 3.152 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000268824760 496796825 /nfs/dbraw/zinc/79/68/25/496796825.db2.gz MZHKXWCFYURHNV-LJQANCHMSA-N 1 0 361.511 3.365 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273417084 496800152 /nfs/dbraw/zinc/80/01/52/496800152.db2.gz RAZOPGWXHFPUDE-AWEZNQCLSA-N 1 0 359.426 3.092 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000273583520 496845706 /nfs/dbraw/zinc/84/57/06/496845706.db2.gz NEBCPBXCTHHTJS-ZDUSSCGKSA-N 1 0 350.459 3.451 20 10 FGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000273599757 496849674 /nfs/dbraw/zinc/84/96/74/496849674.db2.gz RTLGWTFCVMIMKI-KRWDZBQOSA-N 1 0 367.493 3.220 20 10 FGCDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Br)cc1O ZINC000274336817 497073657 /nfs/dbraw/zinc/07/36/57/497073657.db2.gz CETKQGJJZRMZBN-JTQLQIEISA-N 1 0 368.300 3.350 20 10 FGCDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(C)o1 ZINC000278499322 497135261 /nfs/dbraw/zinc/13/52/61/497135261.db2.gz NGDXTEMRQOUNKW-CYBMUJFWSA-N 1 0 350.371 3.078 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccccc1O ZINC000274819476 497174377 /nfs/dbraw/zinc/17/43/77/497174377.db2.gz BKAVHIOZBFGZBP-KRWDZBQOSA-N 1 0 372.465 3.109 20 10 FGCDRO COc1ccc([C@@H]2[C@H](CNC(=O)Cc3ccc(N)cc3)CCC[N@@H+]2C)cc1 ZINC000237304962 497217863 /nfs/dbraw/zinc/21/78/63/497217863.db2.gz MVRSLLICLAIDFE-PGRDOPGGSA-N 1 0 367.493 3.019 20 10 FGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]2CCCO[C@H]21 ZINC000245847055 497550351 /nfs/dbraw/zinc/55/03/51/497550351.db2.gz FSYFYOYPLMSONB-PWIZWCRZSA-N 1 0 362.489 3.080 20 10 FGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H]2CCCO[C@H]21 ZINC000245948547 497581952 /nfs/dbraw/zinc/58/19/52/497581952.db2.gz WCEJEIMSZJOJJY-NJDAHSKKSA-N 1 0 358.526 3.189 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2O)c1 ZINC000280099226 497649382 /nfs/dbraw/zinc/64/93/82/497649382.db2.gz MYSJLPILQBRLBD-LJQANCHMSA-N 1 0 356.466 3.456 20 10 FGCDRO COc1cc(C[N@H+](Cc2cc(OC)c(OC)cc2O)C2CC2)ccc1O ZINC000276804432 497658957 /nfs/dbraw/zinc/65/89/57/497658957.db2.gz WJOJFPDDGGZPDL-UHFFFAOYSA-N 1 0 359.422 3.288 20 10 FGCDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299539404 497840555 /nfs/dbraw/zinc/84/05/55/497840555.db2.gz UZHBQXSRQPCBSU-UHFFFAOYSA-N 1 0 353.466 3.164 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000295941914 497862830 /nfs/dbraw/zinc/86/28/30/497862830.db2.gz HZCVOVYFHPIRIM-SFHVURJKSA-N 1 0 374.525 3.072 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1O ZINC000364256827 497865323 /nfs/dbraw/zinc/86/53/23/497865323.db2.gz AWYRDVRQZHBFDA-KRWDZBQOSA-N 1 0 358.438 3.357 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000280848824 497921617 /nfs/dbraw/zinc/92/16/17/497921617.db2.gz LFNFEAZBOIZZRE-UHFFFAOYSA-N 1 0 366.449 3.074 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C)cc2F)CC1 ZINC000301183386 497988441 /nfs/dbraw/zinc/98/84/41/497988441.db2.gz IUSACUWIBJQAPH-UHFFFAOYSA-N 1 0 373.432 3.191 20 10 FGCDRO Cc1cccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1O ZINC000289245583 498074770 /nfs/dbraw/zinc/07/47/70/498074770.db2.gz DXMGSYFWYPMKKA-QGZVFWFLSA-N 1 0 350.256 3.460 20 10 FGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCCn1cc(Br)cn1)CC2 ZINC000296618170 498124666 /nfs/dbraw/zinc/12/46/66/498124666.db2.gz YYSHPXJFPZHQHM-AWEZNQCLSA-N 1 0 350.260 3.409 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+](CCCO)Cc2ccccn2)c1O ZINC000289392940 498130649 /nfs/dbraw/zinc/13/06/49/498130649.db2.gz FEOMLMZMMHWDBP-UHFFFAOYSA-N 1 0 365.271 3.243 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1O ZINC000292751318 498133327 /nfs/dbraw/zinc/13/33/27/498133327.db2.gz IMVBXVQXLYCJRX-UHFFFAOYSA-N 1 0 362.861 3.043 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)c1O ZINC000289410666 498137024 /nfs/dbraw/zinc/13/70/24/498137024.db2.gz HTJINDFVONJGNR-UHFFFAOYSA-N 1 0 366.211 3.182 20 10 FGCDRO COc1ccc([C@H](C[NH2+][C@H]2CCc3cccc(O)c32)N(C)C)cc1OC ZINC000296992940 498280070 /nfs/dbraw/zinc/28/00/70/498280070.db2.gz SKMFJEGGYHAHMR-IRXDYDNUSA-N 1 0 356.466 3.289 20 10 FGCDRO C[C@H](CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C[NH+](C)C ZINC000293171533 498294556 /nfs/dbraw/zinc/29/45/56/498294556.db2.gz MHLHUEGMQRBUDF-XGBCSFPLSA-N 1 0 367.453 3.354 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000287229335 498680829 /nfs/dbraw/zinc/68/08/29/498680829.db2.gz YCROLFGBOYXCNB-IAGOWNOFSA-N 1 0 350.528 3.152 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ncccn3)no2)C1 ZINC000572882454 506074094 /nfs/dbraw/zinc/07/40/94/506074094.db2.gz SLMSULZMMRAYHO-UHFFFAOYSA-N 1 0 374.448 3.296 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Br)cc1O ZINC000282976903 498732724 /nfs/dbraw/zinc/73/27/24/498732724.db2.gz DNJJIWOWEIQCFH-YGRLFVJLSA-N 1 0 353.260 3.007 20 10 FGCDRO CC(=O)N1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000294616296 498750409 /nfs/dbraw/zinc/75/04/09/498750409.db2.gz XIYXOFORDXAKOR-UHFFFAOYSA-N 1 0 357.523 3.439 20 10 FGCDRO CCN(CC)C(=[NH2+])NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363388460 498793925 /nfs/dbraw/zinc/79/39/25/498793925.db2.gz VKHAGDJACSRTHP-CYBMUJFWSA-N 1 0 358.408 3.278 20 10 FGCDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000366233560 498834881 /nfs/dbraw/zinc/83/48/81/498834881.db2.gz RMDFSTMMRGPAGF-FUHWJXTLSA-N 1 0 372.488 3.395 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000288375729 499008822 /nfs/dbraw/zinc/00/88/22/499008822.db2.gz FPPWJEDCYCNKLN-INIZCTEOSA-N 1 0 372.465 3.281 20 10 FGCDRO C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000283945179 499018116 /nfs/dbraw/zinc/01/81/16/499018116.db2.gz JYGOTKPVGCLDQG-UHFFFAOYSA-N 1 0 371.437 3.063 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(c3nnc4cc(C)ccn43)CC2)c1 ZINC000364114627 499118124 /nfs/dbraw/zinc/11/81/24/499118124.db2.gz FSQJWELAJRAWAC-UHFFFAOYSA-N 1 0 352.438 3.132 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Br)cc1O ZINC000369902257 499149081 /nfs/dbraw/zinc/14/90/81/499149081.db2.gz LPCIYLRVTWZEOC-NORZTCDRSA-N 1 0 356.260 3.143 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c1 ZINC000372602070 499152442 /nfs/dbraw/zinc/15/24/42/499152442.db2.gz VLHYRFFAGAAFOC-AWEZNQCLSA-N 1 0 355.438 3.208 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617034 499154591 /nfs/dbraw/zinc/15/45/91/499154591.db2.gz HIEMQPFARZROAY-UMPJEAMMSA-N 1 0 354.441 3.210 20 10 FGCDRO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000367438569 499199127 /nfs/dbraw/zinc/19/91/27/499199127.db2.gz NUILNLCHPNVIEL-OAHLLOKOSA-N 1 0 358.461 3.046 20 10 FGCDRO CCN1CCC[C@@H](C[N@H+](C)Cc2cc(C)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000370306566 499207679 /nfs/dbraw/zinc/20/76/79/499207679.db2.gz WFVZUKRGGHRDBV-LAUBAEHRSA-N 1 0 356.514 3.339 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)c(O)c1 ZINC000370375424 499214464 /nfs/dbraw/zinc/21/44/64/499214464.db2.gz UVCFWMZGEFGGSQ-HOTGVXAUSA-N 1 0 353.466 3.119 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000367841946 499237382 /nfs/dbraw/zinc/23/73/82/499237382.db2.gz VTIREHSKOADDOB-KRWDZBQOSA-N 1 0 362.470 3.280 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2cccc(-c3nccn3C)c2)cc1OC ZINC000371515038 499336864 /nfs/dbraw/zinc/33/68/64/499336864.db2.gz RZPASJJOISVFRK-UHFFFAOYSA-N 1 0 353.422 3.100 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000368965653 499351289 /nfs/dbraw/zinc/35/12/89/499351289.db2.gz LRKYYNYOPLLKET-AWEZNQCLSA-N 1 0 360.479 3.371 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000369104978 499365970 /nfs/dbraw/zinc/36/59/70/499365970.db2.gz OEPDQBLQVCZVFG-PZJWPPBQSA-N 1 0 370.541 3.349 20 10 FGCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](OCc3csc(C)n3)C2)c1O ZINC000372283472 499416320 /nfs/dbraw/zinc/41/63/20/499416320.db2.gz SVQFHWXXWOKAGT-MRXNPFEDSA-N 1 0 364.442 3.290 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c1 ZINC000372436590 499434914 /nfs/dbraw/zinc/43/49/14/499434914.db2.gz ULZNJGMPFSRITE-HNNXBMFYSA-N 1 0 357.454 3.107 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000373420847 499468782 /nfs/dbraw/zinc/46/87/82/499468782.db2.gz ZVSILVMCEBJYGC-UHFFFAOYSA-N 1 0 356.514 3.103 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000375301716 499504917 /nfs/dbraw/zinc/50/49/17/499504917.db2.gz HLZMPIYXEZPRAW-MRXNPFEDSA-N 1 0 356.260 3.166 20 10 FGCDRO Nc1ccc(CC(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000375515503 499527433 /nfs/dbraw/zinc/52/74/33/499527433.db2.gz SGEHPVXLRSCZII-PZJWPPBQSA-N 1 0 351.494 3.010 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621090 499711351 /nfs/dbraw/zinc/71/13/51/499711351.db2.gz GHXQSRBWTDSQNP-HOCLYGCPSA-N 1 0 374.485 3.140 20 10 FGCDRO NC(=O)c1ccc2[nH]cc(C3CC[NH+](Cc4cc(F)ccc4O)CC3)c2c1 ZINC000377624294 499712317 /nfs/dbraw/zinc/71/23/17/499712317.db2.gz KUMDUFQXQCUONO-UHFFFAOYSA-N 1 0 367.424 3.491 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000377691378 499720610 /nfs/dbraw/zinc/72/06/10/499720610.db2.gz DAGVYNLHLLVLDN-MRXNPFEDSA-N 1 0 362.905 3.438 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCCO2)C1 ZINC000435522817 500988432 /nfs/dbraw/zinc/98/84/32/500988432.db2.gz PQLSNYOQXWWTRA-QGZVFWFLSA-N 1 0 369.509 3.093 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(F)(F)F)C1 ZINC000435626378 501004792 /nfs/dbraw/zinc/00/47/92/501004792.db2.gz JGNWVHJZEAVARS-UHFFFAOYSA-N 1 0 353.388 3.086 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCSC[C@@H]2C)C1 ZINC000435870178 501039560 /nfs/dbraw/zinc/03/95/60/501039560.db2.gz DUOSZCMQDSQTJU-INIZCTEOSA-N 1 0 371.550 3.372 20 10 FGCDRO CS[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435905767 501044842 /nfs/dbraw/zinc/04/48/42/501044842.db2.gz GQNBROAXWZIVDW-HNNXBMFYSA-N 1 0 359.539 3.276 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCSC2)C1 ZINC000436045793 501063255 /nfs/dbraw/zinc/06/32/55/501063255.db2.gz PVQCCKVOKXXUDF-MRXNPFEDSA-N 1 0 371.550 3.372 20 10 FGCDRO COc1cccc([C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC2(C)C)c1 ZINC000530101542 503837289 /nfs/dbraw/zinc/83/72/89/503837289.db2.gz IQGHGJXXWOAIPH-AZUAARDMSA-N 1 0 369.461 3.452 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCc4ccccc4O3)C1)[C@@H](O)CO2 ZINC000530102853 503838519 /nfs/dbraw/zinc/83/85/19/503838519.db2.gz BIOLUVBMFNQIMK-SIKLNZKXSA-N 1 0 367.445 3.178 20 10 FGCDRO CCOCc1cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)ccc1OC ZINC000527741605 503923658 /nfs/dbraw/zinc/92/36/58/503923658.db2.gz GCCKKRZHPAVJLD-INIZCTEOSA-N 1 0 357.376 3.321 20 10 FGCDRO CCOCc1cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)ccc1OC ZINC000527807884 503953616 /nfs/dbraw/zinc/95/36/16/503953616.db2.gz PQHCLFVLDLOSEV-LJQANCHMSA-N 1 0 354.450 3.148 20 10 FGCDRO O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528712068 504343166 /nfs/dbraw/zinc/34/31/66/504343166.db2.gz IHFLDOVCHCQLMU-UHFFFAOYSA-N 1 0 367.449 3.075 20 10 FGCDRO C[NH+](C)CCNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000529642078 504751052 /nfs/dbraw/zinc/75/10/52/504751052.db2.gz DTIGEPOZFOUCHN-UHFFFAOYSA-N 1 0 365.836 3.088 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCSC2)C1 ZINC000552853053 504775868 /nfs/dbraw/zinc/77/58/68/504775868.db2.gz IBHLRWRWTJREMI-MRXNPFEDSA-N 1 0 371.550 3.420 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000565792900 504988784 /nfs/dbraw/zinc/98/87/84/504988784.db2.gz SRVUXHPRXKAYNM-RDJZCZTQSA-N 1 0 354.498 3.255 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000821198943 599456034 /nfs/dbraw/zinc/45/60/34/599456034.db2.gz YOOCTHFJTBWMCG-UHFFFAOYSA-N 1 0 354.433 3.142 20 10 FGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1F ZINC000825879723 608519070 /nfs/dbraw/zinc/51/90/70/608519070.db2.gz PPUMIZIOEMCHOE-UHFFFAOYSA-N 1 0 366.444 3.236 20 10 FGCDRO CC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118565 700224765 /nfs/dbraw/zinc/22/47/65/700224765.db2.gz HJLZAOAAYBCVNF-RYUDHWBXSA-N 1 0 357.292 3.280 20 10 FGCDRO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000119660338 700635273 /nfs/dbraw/zinc/63/52/73/700635273.db2.gz BJSNHDMMGGOQMF-HNNXBMFYSA-N 1 0 363.933 3.454 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000120988007 700663420 /nfs/dbraw/zinc/66/34/20/700663420.db2.gz RZUUSTMPJOLNEI-HNNXBMFYSA-N 1 0 357.292 3.089 20 10 FGCDRO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000138682894 704874945 /nfs/dbraw/zinc/87/49/45/704874945.db2.gz PTOYHWKGBBGIFH-HUUCEWRRSA-N 1 0 350.413 3.132 20 10 FGCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000153280183 704991524 /nfs/dbraw/zinc/99/15/24/704991524.db2.gz QHJRWKKDUCEHRU-AWEZNQCLSA-N 1 0 356.561 3.045 20 10 FGCDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154698528 705045474 /nfs/dbraw/zinc/04/54/74/705045474.db2.gz TUTJQUNFVXWLKM-SJORKVTESA-N 1 0 352.494 3.358 20 10 FGCDRO CCN(C[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1)CC(F)(F)F ZINC000160351120 705250553 /nfs/dbraw/zinc/25/05/53/705250553.db2.gz MRBJBSYLYYRDJO-CQSZACIVSA-N 1 0 360.420 3.415 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000184307479 705928643 /nfs/dbraw/zinc/92/86/43/705928643.db2.gz KEMZUMLFBIHRHL-JTQLQIEISA-N 1 0 350.346 3.308 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000185319843 712691803 /nfs/dbraw/zinc/69/18/03/712691803.db2.gz QMJVKRGWHHPPEK-ZDUSSCGKSA-N 1 0 350.459 3.451 20 10 FGCDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000193416419 712890342 /nfs/dbraw/zinc/89/03/42/712890342.db2.gz QSSSDADZDJLMCS-MRXNPFEDSA-N 1 0 351.487 3.326 20 10 FGCDRO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000246766873 713630566 /nfs/dbraw/zinc/63/05/66/713630566.db2.gz OYRANZFXBFJDEH-IAGOWNOFSA-N 1 0 351.512 3.405 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1O ZINC000322092310 713812903 /nfs/dbraw/zinc/81/29/03/713812903.db2.gz HRGHKFNUDFDELS-SHTZXODSSA-N 1 0 350.459 3.326 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000382477152 713980051 /nfs/dbraw/zinc/98/00/51/713980051.db2.gz UGJSHRBYJZFDTJ-UKRRQHHQSA-N 1 0 350.459 3.184 20 10 FGCDRO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779339702 724408375 /nfs/dbraw/zinc/40/83/75/724408375.db2.gz FMOLYDYXNKBKOK-YJBOKZPZSA-N 1 0 362.905 3.275 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1O ZINC000779431948 724413185 /nfs/dbraw/zinc/41/31/85/724413185.db2.gz IKBJHPIMVWKZET-KBPBESRZSA-N 1 0 372.303 3.392 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(CC)CC)c(F)c2)[C@]12CCCO2 ZINC000781424793 724563487 /nfs/dbraw/zinc/56/34/87/724563487.db2.gz YXMDWNANKAMANV-VAMGGRTRSA-N 1 0 350.478 3.488 20 10 FGCDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(Br)cc(C)c2O)C1(C)C ZINC000783724346 724782136 /nfs/dbraw/zinc/78/21/36/724782136.db2.gz VEYNPLQEFRXEMA-YOEHRIQHSA-N 1 0 372.303 3.119 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1 ZINC000705903597 722411996 /nfs/dbraw/zinc/41/19/96/722411996.db2.gz NBEBYIFRCBSNPX-HNNXBMFYSA-N 1 0 352.475 3.235 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000715134680 722415703 /nfs/dbraw/zinc/41/57/03/722415703.db2.gz CHMKBOVHDXRVAX-MGPQQGTHSA-N 1 0 350.459 3.355 20 10 FGCDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000725844229 722424668 /nfs/dbraw/zinc/42/46/68/722424668.db2.gz LUBMWBQQDZFQBY-UHFFFAOYSA-N 1 0 363.255 3.146 20 10 FGCDRO CCOc1cccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000725849660 722424796 /nfs/dbraw/zinc/42/47/96/722424796.db2.gz TZAUWWVMNKUENG-CYBMUJFWSA-N 1 0 364.467 3.013 20 10 FGCDRO CCc1ccc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000731217292 722474095 /nfs/dbraw/zinc/47/40/95/722474095.db2.gz GZIDMZNWZHTRAA-UHFFFAOYSA-N 1 0 359.539 3.231 20 10 FGCDRO CN(Cc1ccc(Br)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732695760 722487492 /nfs/dbraw/zinc/48/74/92/722487492.db2.gz MBDWSIHYLFBRSM-UHFFFAOYSA-N 1 0 364.287 3.421 20 10 FGCDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Cl)c1ccc(Cl)cc1 ZINC000733325794 722495735 /nfs/dbraw/zinc/49/57/35/722495735.db2.gz SVIAELQJMNCPJY-UHFFFAOYSA-N 1 0 360.262 3.263 20 10 FGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000734651878 722509051 /nfs/dbraw/zinc/50/90/51/722509051.db2.gz DEPNYSVBOZOCEU-KRWDZBQOSA-N 1 0 360.527 3.225 20 10 FGCDRO CC[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1cc(Br)ccc1O ZINC000743872834 722572215 /nfs/dbraw/zinc/57/22/15/722572215.db2.gz BIHYCESRMGVNRE-ZDUSSCGKSA-N 1 0 369.303 3.378 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCCC1 ZINC000753664271 722908751 /nfs/dbraw/zinc/90/87/51/722908751.db2.gz OXBBDBUGWWQTRO-QGZVFWFLSA-N 1 0 364.555 3.370 20 10 FGCDRO COc1cccc(O)c1C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000756119146 722961029 /nfs/dbraw/zinc/96/10/29/722961029.db2.gz DWIIHMPOEZORLF-UHFFFAOYSA-N 1 0 372.284 3.219 20 10 FGCDRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1O ZINC000756399490 722964016 /nfs/dbraw/zinc/96/40/16/722964016.db2.gz QCJAMNZKDVITOF-NSHDSACASA-N 1 0 367.287 3.206 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])C(=O)NC(C)(C)C ZINC000756490578 722965468 /nfs/dbraw/zinc/96/54/68/722965468.db2.gz WJFSTRXETRIBER-DTWKUNHWSA-N 1 0 361.255 3.248 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2O ZINC000756759880 722969655 /nfs/dbraw/zinc/96/96/55/722969655.db2.gz NIJFTNUOJXSOCD-ADEWGFFLSA-N 1 0 360.351 3.223 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c1O ZINC000758494458 722990682 /nfs/dbraw/zinc/99/06/82/722990682.db2.gz MIIHFXNSOKPZQN-GOSISDBHSA-N 1 0 358.507 3.108 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000758528493 722991150 /nfs/dbraw/zinc/99/11/50/722991150.db2.gz OQANRPWPTOZYLP-HNNXBMFYSA-N 1 0 364.283 3.404 20 10 FGCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCCSc2nccs2)C1 ZINC000759560502 723008984 /nfs/dbraw/zinc/00/89/84/723008984.db2.gz KQNPNJJZUPIYHY-GASCZTMLSA-N 1 0 370.588 3.293 20 10 FGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000761432257 723153437 /nfs/dbraw/zinc/15/34/37/723153437.db2.gz KQCPLBUJVSHHDI-CJNGLKHVSA-N 1 0 358.511 3.004 20 10 FGCDRO CS(=O)(=O)c1cc(C[NH2+]Cc2ccccc2O)cc(C(F)(F)F)c1 ZINC000790601744 723157085 /nfs/dbraw/zinc/15/70/85/723157085.db2.gz OGAKIMUJCCARPE-UHFFFAOYSA-N 1 0 359.369 3.104 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])c1nnnn1C1CC1 ZINC000790754720 723174301 /nfs/dbraw/zinc/17/43/01/723174301.db2.gz JGCSBHGWZBIMTD-YUMQZZPRSA-N 1 0 370.226 3.027 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cc1F ZINC000791003751 723204411 /nfs/dbraw/zinc/20/44/11/723204411.db2.gz HICZVNYEEBPCDC-OAHLLOKOSA-N 1 0 352.400 3.111 20 10 FGCDRO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000763384707 723339459 /nfs/dbraw/zinc/33/94/59/723339459.db2.gz SZFIMXMZKNZDLJ-CYBMUJFWSA-N 1 0 363.479 3.026 20 10 FGCDRO O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000765747123 723537488 /nfs/dbraw/zinc/53/74/88/723537488.db2.gz MFBKODPQILUTNC-HNNXBMFYSA-N 1 0 367.287 3.178 20 10 FGCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000795695839 723605947 /nfs/dbraw/zinc/60/59/47/723605947.db2.gz VYTRJMKFWSAEBL-QGZVFWFLSA-N 1 0 357.372 3.198 20 10 FGCDRO COc1cccc(O)c1C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000768344680 723654727 /nfs/dbraw/zinc/65/47/27/723654727.db2.gz MRXYWTDEJBCBPI-UHFFFAOYSA-N 1 0 350.459 3.138 20 10 FGCDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442228 723657701 /nfs/dbraw/zinc/65/77/01/723657701.db2.gz KUUYMGBJOVFPFS-GOSISDBHSA-N 1 0 363.841 3.372 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](CSc3ccccc3)C1)[C@H](O)CO2 ZINC000768466141 723658411 /nfs/dbraw/zinc/65/84/11/723658411.db2.gz MUAIUAUUJIUPJH-IFXJQAMLSA-N 1 0 357.475 3.432 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463438 723658432 /nfs/dbraw/zinc/65/84/32/723658432.db2.gz TYDTZWGOYAXAPN-CXAGYDPISA-N 1 0 361.825 3.125 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c(O)c1 ZINC000769225068 723679982 /nfs/dbraw/zinc/67/99/82/723679982.db2.gz HWQIWCPKVBRBMA-UHFFFAOYSA-N 1 0 350.459 3.091 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000770376636 723712271 /nfs/dbraw/zinc/71/22/71/723712271.db2.gz WIEOBQWLQOFDAF-STQMWFEESA-N 1 0 370.287 3.412 20 10 FGCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000771054509 723726809 /nfs/dbraw/zinc/72/68/09/723726809.db2.gz URUCOZYECHSIJV-ZWNOBZJWSA-N 1 0 364.795 3.325 20 10 FGCDRO Cc1cc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1N(C)C ZINC000772995866 723774238 /nfs/dbraw/zinc/77/42/38/723774238.db2.gz FNUHNWZFDGAKFW-OAHLLOKOSA-N 1 0 361.511 3.283 20 10 FGCDRO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000798952972 723978756 /nfs/dbraw/zinc/97/87/56/723978756.db2.gz AAKSAXYVAMPQDY-IBGZPJMESA-N 1 0 350.459 3.138 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cc(Br)ccc1O ZINC000775526924 723998145 /nfs/dbraw/zinc/99/81/45/723998145.db2.gz ODOBWNXWBVRITF-GXTWGEPZSA-N 1 0 355.276 3.205 20 10 FGCDRO COc1ccc(O)c(C[NH+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000775692614 724026068 /nfs/dbraw/zinc/02/60/68/724026068.db2.gz ZJKRVRRUUDBIMH-ZIAGYGMSSA-N 1 0 350.459 3.231 20 10 FGCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC000800276710 724174264 /nfs/dbraw/zinc/17/42/64/724174264.db2.gz QCLNKBMUCAEDLD-FUHWJXTLSA-N 1 0 365.949 3.387 20 10 FGCDRO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000788618853 725076512 /nfs/dbraw/zinc/07/65/12/725076512.db2.gz KRGREAKFVQCICG-SQWLQELKSA-N 1 0 358.276 3.389 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806138324 725117580 /nfs/dbraw/zinc/11/75/80/725117580.db2.gz UBUNLHDKDXYZHC-YJBOKZPZSA-N 1 0 353.938 3.360 20 10 FGCDRO CCOC(=O)c1csc(/C=C\c2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000806562130 725133442 /nfs/dbraw/zinc/13/34/42/725133442.db2.gz GQDOUXRGTKPHPG-TWGQIWQCSA-N 1 0 357.479 3.242 20 10 FGCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808679408 725213289 /nfs/dbraw/zinc/21/32/89/725213289.db2.gz NPFWEOUNMSTZGS-LBPRGKRZSA-N 1 0 368.886 3.113 20 10 FGCDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000808695290 725213607 /nfs/dbraw/zinc/21/36/07/725213607.db2.gz KTURYAPTNXBHBX-IRXDYDNUSA-N 1 0 352.544 3.226 20 10 FGCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000809696305 725259531 /nfs/dbraw/zinc/25/95/31/725259531.db2.gz GTNSLEVLXMIYGF-CQSZACIVSA-N 1 0 351.752 3.281 20 10 FGCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Br)ccc2O)c(F)c1 ZINC000809713173 725261631 /nfs/dbraw/zinc/26/16/31/725261631.db2.gz KPXQOIWCYFTRIP-UHFFFAOYSA-N 1 0 355.163 3.492 20 10 FGCDRO CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000809740954 725264072 /nfs/dbraw/zinc/26/40/72/725264072.db2.gz GVJBWKIOKACVQL-UONOGXRCSA-N 1 0 357.397 3.248 20 10 FGCDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1O ZINC000810211478 725296960 /nfs/dbraw/zinc/29/69/60/725296960.db2.gz CMURNOWOTALRDN-SNVBAGLBSA-N 1 0 358.282 3.130 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810227693 725298314 /nfs/dbraw/zinc/29/83/14/725298314.db2.gz ZVNSLAWENQORBV-DWZYQQQCSA-N 1 0 356.388 3.461 20 10 FGCDRO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810262038 725300453 /nfs/dbraw/zinc/30/04/53/725300453.db2.gz IRMONKLLIAUBKV-IRXDYDNUSA-N 1 0 351.510 3.433 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000811499237 725369639 /nfs/dbraw/zinc/36/96/39/725369639.db2.gz KUKPFSOATRPTQI-HNNXBMFYSA-N 1 0 352.475 3.430 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1O ZINC000811518239 725372209 /nfs/dbraw/zinc/37/22/09/725372209.db2.gz HPDLVSPQVVAYJQ-OAHLLOKOSA-N 1 0 358.276 3.050 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1O ZINC000811518238 725372242 /nfs/dbraw/zinc/37/22/42/725372242.db2.gz HPDLVSPQVVAYJQ-HNNXBMFYSA-N 1 0 358.276 3.050 20 10 FGCDRO Cn1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1Cl ZINC000815125805 727041841 /nfs/dbraw/zinc/04/18/41/727041841.db2.gz AFPRNIDQOSJGCN-OAHLLOKOSA-N 1 0 369.296 3.187 20 10 FGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000815633849 727087879 /nfs/dbraw/zinc/08/78/79/727087879.db2.gz XUNSBQFSBIGZGA-NEPJUHHUSA-N 1 0 357.292 3.358 20 10 FGCDRO COC1([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCCC1 ZINC000817590032 727268788 /nfs/dbraw/zinc/26/87/88/727268788.db2.gz SLXJIQOGZIPBKD-AWEZNQCLSA-N 1 0 354.441 3.239 20 10 FGCDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1=O ZINC000817589868 727268876 /nfs/dbraw/zinc/26/88/76/727268876.db2.gz QORODCSUUQZFMD-QWHCGFSZSA-N 1 0 369.303 3.372 20 10 FGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ncc(Br)s1 ZINC000817944105 727289060 /nfs/dbraw/zinc/28/90/60/727289060.db2.gz XIWZZUNOJAJFAZ-GXFFZTMASA-N 1 0 369.332 3.322 20 10 FGCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819290982 727364976 /nfs/dbraw/zinc/36/49/76/727364976.db2.gz PBHRFLINJMWLCY-CQSZACIVSA-N 1 0 358.935 3.101 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)COCc1cccs1 ZINC000819376746 727372101 /nfs/dbraw/zinc/37/21/01/727372101.db2.gz INWHCYHSAHRKRH-VQIMIIECSA-N 1 0 362.539 3.221 20 10 FGCDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820700433 729018574 /nfs/dbraw/zinc/01/85/74/729018574.db2.gz HBVXBFJLGQIJME-UHFFFAOYSA-N 1 0 359.455 3.115 20 10 FGCDRO C[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000823371847 729272747 /nfs/dbraw/zinc/27/27/47/729272747.db2.gz NEHLKKMJPAMNEV-MRXNPFEDSA-N 1 0 360.523 3.392 20 10 FGCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823448468 729281760 /nfs/dbraw/zinc/28/17/60/729281760.db2.gz WWLAHMKOKDMDSD-KRWDZBQOSA-N 1 0 357.523 3.343 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000823997188 729315226 /nfs/dbraw/zinc/31/52/26/729315226.db2.gz WDMOIDWMVZTSJK-FQEVSTJZSA-N 1 0 360.523 3.263 20 10 FGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000824530222 729345711 /nfs/dbraw/zinc/34/57/11/729345711.db2.gz WLTXPKICRNUHMV-GFCCVEGCSA-N 1 0 368.886 3.194 20 10 FGCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824554481 729346853 /nfs/dbraw/zinc/34/68/53/729346853.db2.gz HQMFJMYDMIKQIA-CQSZACIVSA-N 1 0 364.383 3.109 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824715789 729356294 /nfs/dbraw/zinc/35/62/94/729356294.db2.gz NOBOUCRXUJIXSM-RRFJBIMHSA-N 1 0 370.287 3.289 20 10 FGCDRO COCCCOC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824848885 729361902 /nfs/dbraw/zinc/36/19/02/729361902.db2.gz BUSLDYINHBMNLG-UHFFFAOYSA-N 1 0 358.276 3.172 20 10 FGCDRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825279879 729376925 /nfs/dbraw/zinc/37/69/25/729376925.db2.gz ZQAFKHOOUDTWBT-GOSISDBHSA-N 1 0 351.830 3.194 20 10 FGCDRO Cc1cc(O)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1Cl ZINC000825927924 729399763 /nfs/dbraw/zinc/39/97/63/729399763.db2.gz KOCAYDCPBPVMOE-JWTNVVGKSA-N 1 0 363.933 3.097 20 10 FGCDRO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000827321486 729428614 /nfs/dbraw/zinc/42/86/14/729428614.db2.gz YRDTXZUCBLXFKW-OAHLLOKOSA-N 1 0 355.507 3.190 20 10 FGCDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000827329300 729428761 /nfs/dbraw/zinc/42/87/61/729428761.db2.gz XQGPXNYNQNACLK-CZUORRHYSA-N 1 0 364.287 3.389 20 10 FGCDRO Cc1cc(Br)cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827857147 729436108 /nfs/dbraw/zinc/43/61/08/729436108.db2.gz WYRMRCOLSPZALP-INIZCTEOSA-N 1 0 371.319 3.006 20 10 FGCDRO Cc1ccoc1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830543951 729570196 /nfs/dbraw/zinc/57/01/96/729570196.db2.gz IXHWMTSECYGJJQ-INIZCTEOSA-N 1 0 362.857 3.270 20 10 FGCDRO CCNc1ccc(Cl)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283917 729702150 /nfs/dbraw/zinc/70/21/50/729702150.db2.gz DCSRUGMOVFKTHR-KRWDZBQOSA-N 1 0 360.889 3.268 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC000834821693 729836554 /nfs/dbraw/zinc/83/65/54/729836554.db2.gz SINMBIXWVTXKFA-RYUDHWBXSA-N 1 0 364.287 3.322 20 10 FGCDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000834830686 729837667 /nfs/dbraw/zinc/83/76/67/729837667.db2.gz LVURAQUBJFSZPX-OAHLLOKOSA-N 1 0 355.816 3.460 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1O ZINC000834914007 729846128 /nfs/dbraw/zinc/84/61/28/729846128.db2.gz KBFLKSQWOUBWJC-QEJZJMRPSA-N 1 0 367.287 3.349 20 10 FGCDRO CN(C)c1ccc(/C=C\CN2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000835055502 729853571 /nfs/dbraw/zinc/85/35/71/729853571.db2.gz VDPHJVBPDZXIHV-OSJSJHBBSA-N 1 0 351.441 3.002 20 10 FGCDRO CCc1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000840900491 730189182 /nfs/dbraw/zinc/18/91/82/730189182.db2.gz YPCVZZJQALZRQV-QGZVFWFLSA-N 1 0 360.889 3.152 20 10 FGCDRO Cc1cc(O)c(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000840909115 730189962 /nfs/dbraw/zinc/18/99/62/730189962.db2.gz PQKIJQRWVRXGFR-QZTJIDSGSA-N 1 0 352.906 3.212 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000840934601 730193624 /nfs/dbraw/zinc/19/36/24/730193624.db2.gz SEVARXAJJVHFQI-UHFFFAOYSA-N 1 0 353.392 3.072 20 10 FGCDRO Cc1cc(O)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Cl)c1 ZINC000840947888 730195495 /nfs/dbraw/zinc/19/54/95/730195495.db2.gz BNIWYGUMDSNHHB-SJPCQFCGSA-N 1 0 363.933 3.097 20 10 FGCDRO COc1cc(Br)cc(CN2CC[NH2+]Cc3ccccc32)c1O ZINC000841036021 730205110 /nfs/dbraw/zinc/20/51/10/730205110.db2.gz NLPMCMHVXBMMQZ-UHFFFAOYSA-N 1 0 363.255 3.273 20 10 FGCDRO F[C@@H]1C[NH2+][C@H](CNCc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000841079157 730208409 /nfs/dbraw/zinc/20/84/09/730208409.db2.gz LPAVQVXYLZYRJX-GJZGRUSLSA-N 1 0 370.310 3.229 20 10 FGCDRO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000841099193 730211248 /nfs/dbraw/zinc/21/12/48/730211248.db2.gz HGTGQUYHQSGCRG-DOTOQJQBSA-N 1 0 359.297 3.417 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841743522 730269745 /nfs/dbraw/zinc/26/97/45/730269745.db2.gz AQQKPAHUMZXIFP-ZDUSSCGKSA-N 1 0 353.871 3.311 20 10 FGCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841757853 730271346 /nfs/dbraw/zinc/27/13/46/730271346.db2.gz GDBHFRFZLIXNFF-ZMZPIMSZSA-N 1 0 351.830 3.447 20 10 FGCDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1O ZINC000841765421 730272256 /nfs/dbraw/zinc/27/22/56/730272256.db2.gz YADDJLLFXQWNHA-LBPRGKRZSA-N 1 0 369.870 3.179 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000841849159 730281154 /nfs/dbraw/zinc/28/11/54/730281154.db2.gz YETWWTJTFPJBEV-GOSISDBHSA-N 1 0 360.889 3.067 20 10 FGCDRO CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000842921368 730557007 /nfs/dbraw/zinc/55/70/07/730557007.db2.gz XZDMHLSKACYFIG-YOEHRIQHSA-N 1 0 372.303 3.373 20 10 FGCDRO Cc1ccc(SCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000843297798 730605777 /nfs/dbraw/zinc/60/57/77/730605777.db2.gz JWGYFZLIUOTOQV-LJQANCHMSA-N 1 0 357.523 3.359 20 10 FGCDRO Cc1cc(C(=O)N(C)CCC[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000843348209 730609471 /nfs/dbraw/zinc/60/94/71/730609471.db2.gz FDTBGNOIQLAERF-UHFFFAOYSA-N 1 0 364.287 3.277 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000846056653 730924255 /nfs/dbraw/zinc/92/42/55/730924255.db2.gz WADWVSNINXFTOT-UGSOOPFHSA-N 1 0 352.862 3.392 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)s1 ZINC000846168697 730933205 /nfs/dbraw/zinc/93/32/05/730933205.db2.gz UBWAZEFCVZJUDR-NSHDSACASA-N 1 0 355.481 3.107 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1ccc(N(C)C)cc1 ZINC000846856927 730988258 /nfs/dbraw/zinc/98/82/58/730988258.db2.gz FMOVEQVNTNROKZ-GFCCVEGCSA-N 1 0 354.376 3.335 20 10 FGCDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848513879 731173747 /nfs/dbraw/zinc/17/37/47/731173747.db2.gz HWJMCIXNKQTNCQ-WCQYABFASA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)c1O ZINC000848548172 731179462 /nfs/dbraw/zinc/17/94/62/731179462.db2.gz AWNYUIYNEJWJQM-GXFFZTMASA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1O ZINC000848551319 731180200 /nfs/dbraw/zinc/18/02/00/731180200.db2.gz JPKAYTQVFHVRCO-KOLCDFICSA-N 1 0 366.259 3.095 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(C(F)(F)F)cc1O ZINC000848563587 731182168 /nfs/dbraw/zinc/18/21/68/731182168.db2.gz VJXDBGGNGGARMG-YPMHNXCESA-N 1 0 354.376 3.138 20 10 FGCDRO COCC1(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOCC1 ZINC000850308409 731341403 /nfs/dbraw/zinc/34/14/03/731341403.db2.gz ZIHOIDMLMMFMNN-UHFFFAOYSA-N 1 0 351.487 3.231 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(-n4ccnc4)cs3)C2)cc1 ZINC000850346054 731344909 /nfs/dbraw/zinc/34/49/09/731344909.db2.gz BPHYCCZDKMUJGU-OAHLLOKOSA-N 1 0 354.479 3.311 20 10 FGCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000850411698 731353972 /nfs/dbraw/zinc/35/39/72/731353972.db2.gz ILTRXCOIOYGWIB-SJKOYZFVSA-N 1 0 350.256 3.409 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1O ZINC000850421501 731355497 /nfs/dbraw/zinc/35/54/97/731355497.db2.gz YAULOMJLKPUHKG-BZNIZROVSA-N 1 0 366.255 3.375 20 10 FGCDRO CCOC1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000850475405 731361055 /nfs/dbraw/zinc/36/10/55/731361055.db2.gz XGBZSNXVLOWLCU-UHFFFAOYSA-N 1 0 354.441 3.239 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)C2)cc1 ZINC000850488149 731362293 /nfs/dbraw/zinc/36/22/93/731362293.db2.gz LNBGOLQTGGNSNQ-HNONPPJISA-N 1 0 350.553 3.243 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850544075 731371557 /nfs/dbraw/zinc/37/15/57/731371557.db2.gz BZLRZUVZXZZPME-HOCLYGCPSA-N 1 0 352.906 3.236 20 10 FGCDRO CO[C@H](CC(C)C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000857471838 732133054 /nfs/dbraw/zinc/13/30/54/732133054.db2.gz CCDSSWCJFMKGIR-FUHWJXTLSA-N 1 0 368.905 3.187 20 10 FGCDRO COCCOc1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858096779 732179849 /nfs/dbraw/zinc/17/98/49/732179849.db2.gz OKZLAJRCJRZETB-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO OC[C@@]1(C[NH2+]Cc2c(O)cccc2Br)C[C@@H]1c1ccccc1 ZINC000858165901 732188450 /nfs/dbraw/zinc/18/84/50/732188450.db2.gz RFQBLXODSOHQJE-QAPCUYQASA-N 1 0 362.267 3.411 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000858208426 732192444 /nfs/dbraw/zinc/19/24/44/732192444.db2.gz CQIZCWGKTMPMEJ-LBPRGKRZSA-N 1 0 364.165 3.244 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000858284333 732200415 /nfs/dbraw/zinc/20/04/15/732200415.db2.gz FTHBULGWQYRYDB-UONOGXRCSA-N 1 0 350.459 3.278 20 10 FGCDRO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000858352835 732206521 /nfs/dbraw/zinc/20/65/21/732206521.db2.gz GFNLUUYGPUMHOP-ZBFHGGJFSA-N 1 0 358.511 3.004 20 10 FGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000858352833 732206577 /nfs/dbraw/zinc/20/65/77/732206577.db2.gz GFNLUUYGPUMHOP-HOCLYGCPSA-N 1 0 358.511 3.004 20 10 FGCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000861631176 732712460 /nfs/dbraw/zinc/71/24/60/732712460.db2.gz ZRYDWCOXKBDVKL-ZIAGYGMSSA-N 1 0 352.910 3.065 20 10 FGCDRO OCC[N@H+](CCc1ccccc1)Cc1c(O)cccc1Br ZINC000862244396 732796072 /nfs/dbraw/zinc/79/60/72/732796072.db2.gz ALGXXIJMYFSJOY-UHFFFAOYSA-N 1 0 350.256 3.192 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1O ZINC000865762084 733264776 /nfs/dbraw/zinc/26/47/76/733264776.db2.gz LERUAIIWWNKVSP-MLGOLLRUSA-N 1 0 370.287 3.458 20 10 FGCDRO Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000873147643 735726112 /nfs/dbraw/zinc/72/61/12/735726112.db2.gz BUKZUEUVLTZLKZ-IBGZPJMESA-N 1 0 360.523 3.459 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(SC(F)(F)F)o2)cc1 ZINC000876506882 736108134 /nfs/dbraw/zinc/10/81/34/736108134.db2.gz PUAVMMGZTUVAID-LBPRGKRZSA-N 1 0 373.400 3.387 20 10 FGCDRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000876722207 736136589 /nfs/dbraw/zinc/13/65/89/736136589.db2.gz PTSULHFEYKJOMV-UHFFFAOYSA-N 1 0 366.508 3.046 20 10 FGCDRO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687619 736704745 /nfs/dbraw/zinc/70/47/45/736704745.db2.gz KRCTUCJNMVVDAG-IAGOWNOFSA-N 1 0 359.857 3.050 20 10 FGCDRO CO[C@H]1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687897 736705013 /nfs/dbraw/zinc/70/50/13/736705013.db2.gz NFAMACDFUJXEJN-CABCVRRESA-N 1 0 359.857 3.050 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1F ZINC000883252970 737541261 /nfs/dbraw/zinc/54/12/61/737541261.db2.gz FMRCDFGEZZGMTQ-OAHLLOKOSA-N 1 0 354.441 3.096 20 10 FGCDRO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000883373623 737559687 /nfs/dbraw/zinc/55/96/87/737559687.db2.gz WIIIQPVBYLZJFB-FVQBIDKESA-N 1 0 354.491 3.042 20 10 FGCDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747033 739290933 /nfs/dbraw/zinc/29/09/33/739290933.db2.gz JEIAWDPGJFBPGB-HNNXBMFYSA-N 1 0 357.523 3.171 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)c2coc(C(F)F)c2)[NH+](C)C)cc1 ZINC000891247205 739885933 /nfs/dbraw/zinc/88/59/33/739885933.db2.gz RKHBHTAIMNFQRR-HNNXBMFYSA-N 1 0 351.397 3.316 20 10 FGCDRO CC(C)c1ncsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249829 739886660 /nfs/dbraw/zinc/88/66/60/739886660.db2.gz TWKASVSBGWPQNA-INIZCTEOSA-N 1 0 360.527 3.365 20 10 FGCDRO Cc1csc([C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891248878 739886693 /nfs/dbraw/zinc/88/66/93/739886693.db2.gz NXVKMRBDCVUNRR-RHSMWYFYSA-N 1 0 360.527 3.040 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3C[C@]3(C)Br)CC2)cc1 ZINC000892812343 740046814 /nfs/dbraw/zinc/04/68/14/740046814.db2.gz MBUDDSGZROVZRK-DYVFJYSZSA-N 1 0 353.304 3.427 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)CC(F)(F)F)cc2)CC1 ZINC000893608498 742177164 /nfs/dbraw/zinc/17/71/64/742177164.db2.gz VMZBTLDZAMLGQV-UHFFFAOYSA-N 1 0 357.420 3.033 20 10 FGCDRO COc1c(O)c(C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)ccc1[N+](=O)[O-] ZINC000897298755 742665530 /nfs/dbraw/zinc/66/55/30/742665530.db2.gz IFSFDUSACDUIRP-GFCCVEGCSA-N 1 0 363.439 3.139 20 10 FGCDRO Cc1cccc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)c1O ZINC000898168616 742752261 /nfs/dbraw/zinc/75/22/61/742752261.db2.gz KUMLHZVOCZIOCG-QGZVFWFLSA-N 1 0 350.256 3.460 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cc(Br)ccc1O ZINC000903198704 743821307 /nfs/dbraw/zinc/82/13/07/743821307.db2.gz PDZFXASGMMLQOD-NSHDSACASA-N 1 0 350.260 3.467 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1O ZINC000903259546 743831281 /nfs/dbraw/zinc/83/12/81/743831281.db2.gz FTKXYVAKWCMUGL-FMGDLQRFSA-N 1 0 356.260 3.381 20 10 FGCDRO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000916836163 758143123 /nfs/dbraw/zinc/14/31/23/758143123.db2.gz CNJSYYUMQHNYCC-QGZVFWFLSA-N 1 0 358.404 3.067 20 10 FGCDRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000922389217 758910051 /nfs/dbraw/zinc/91/00/51/758910051.db2.gz SIGXTKAONBNISJ-JOCBIADPSA-N 1 0 373.324 3.268 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1 ZINC000922483992 758933224 /nfs/dbraw/zinc/93/32/24/758933224.db2.gz DHQLZBXCPHVHLO-KRWDZBQOSA-N 1 0 357.523 3.343 20 10 FGCDRO FC(F)(F)[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922698570 758985523 /nfs/dbraw/zinc/98/55/23/758985523.db2.gz YGFSENCFDOYASQ-IAGOWNOFSA-N 1 0 358.404 3.113 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cc(Br)ccc1O ZINC000927105175 759893101 /nfs/dbraw/zinc/89/31/01/759893101.db2.gz QNMCIMKPLGPCHX-IUODEOHRSA-N 1 0 369.303 3.059 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000779039603 724383787 /nfs/dbraw/zinc/38/37/87/724383787.db2.gz DFHQKSPNBCTSQV-UFBFGSQYSA-N 1 0 356.182 3.427 20 10 FGCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1O ZINC000092453560 494630888 /nfs/dbraw/zinc/63/08/88/494630888.db2.gz ODPGZYURYDQANH-UHFFFAOYSA-N 1 0 374.868 3.402 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000121379171 494728837 /nfs/dbraw/zinc/72/88/37/494728837.db2.gz WYGWHIXALHOFEM-UHFFFAOYSA-N 1 0 370.449 3.347 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2F)CC1 ZINC000121411726 494743554 /nfs/dbraw/zinc/74/35/54/494743554.db2.gz IXDRMKIMEZITHR-UIFIKXQLSA-N 1 0 374.500 3.224 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093685092 494912486 /nfs/dbraw/zinc/91/24/86/494912486.db2.gz YXECJYMFGWZTQE-AWEZNQCLSA-N 1 0 374.403 3.024 20 10 FGCDRO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1O ZINC000179527083 495628908 /nfs/dbraw/zinc/62/89/08/495628908.db2.gz FVAPPEBYRLRCHS-KRWDZBQOSA-N 1 0 354.450 3.000 20 10 FGCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000186049933 495836737 /nfs/dbraw/zinc/83/67/37/495836737.db2.gz WKOSKWGIGWZZDO-HNAYVOBHSA-N 1 0 354.450 3.161 20 10 FGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151577806 495883981 /nfs/dbraw/zinc/88/39/81/495883981.db2.gz OABDGOGZFVEJGM-QFIPXVFZSA-N 1 0 368.521 3.243 20 10 FGCDRO COc1ccc(O)c([C@@H](C)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000186349886 495959619 /nfs/dbraw/zinc/95/96/19/495959619.db2.gz UAWOZILMKPEPNV-AUUYWEPGSA-N 1 0 369.465 3.024 20 10 FGCDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1O ZINC000183607772 496046414 /nfs/dbraw/zinc/04/64/14/496046414.db2.gz LJHSWQQEZGESGV-INIZCTEOSA-N 1 0 374.506 3.037 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186566118 496049029 /nfs/dbraw/zinc/04/90/29/496049029.db2.gz VOFHZWWWJVSLMA-QWHCGFSZSA-N 1 0 360.329 3.376 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000180606267 496064703 /nfs/dbraw/zinc/06/47/03/496064703.db2.gz PGGIJMXCOOZCFX-PMGBHYCQSA-N 1 0 358.463 3.126 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000180723786 496119286 /nfs/dbraw/zinc/11/92/86/496119286.db2.gz AOIHKJLHYWWAIS-GQCTYLIASA-N 1 0 372.490 3.201 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)cc1OC ZINC000181068688 496259872 /nfs/dbraw/zinc/25/98/72/496259872.db2.gz VEPPXQBSHMPBLN-INIZCTEOSA-N 1 0 360.454 3.238 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000163395362 496510535 /nfs/dbraw/zinc/51/05/35/496510535.db2.gz GRKCKCZPISUVSX-UKRRQHHQSA-N 1 0 358.404 3.057 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)c1 ZINC000157725420 496539336 /nfs/dbraw/zinc/53/93/36/496539336.db2.gz SEJNALUJXZCXPN-ZDUSSCGKSA-N 1 0 350.413 3.341 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000184939520 496593647 /nfs/dbraw/zinc/59/36/47/496593647.db2.gz JFORUXBJIUFRQO-IQMFZBJNSA-N 1 0 353.871 3.264 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000185109521 496664160 /nfs/dbraw/zinc/66/41/60/496664160.db2.gz ISPIEHYJDPWUSB-CABCVRRESA-N 1 0 362.495 3.363 20 10 FGCDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccc(N)cc1 ZINC000169121229 496715050 /nfs/dbraw/zinc/71/50/50/496715050.db2.gz LEXYPSPQBTZMSW-IRXDYDNUSA-N 1 0 351.494 3.084 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cc2F)C[C@@H](C)O1 ZINC000268782272 496784295 /nfs/dbraw/zinc/78/42/95/496784295.db2.gz DKGKCUSRIUPPAR-SPYBWZPUSA-N 1 0 372.488 3.340 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c(O)c1C ZINC000273407088 496796918 /nfs/dbraw/zinc/79/69/18/496796918.db2.gz OREWWUMPGTXHSL-QGZVFWFLSA-N 1 0 368.477 3.332 20 10 FGCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000273418210 496800390 /nfs/dbraw/zinc/80/03/90/496800390.db2.gz RLYJQCUKWUUHFP-AWEZNQCLSA-N 1 0 374.506 3.030 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278448905 497117974 /nfs/dbraw/zinc/11/79/74/497117974.db2.gz XNOLMOOQXTYTMF-YMTOWFKASA-N 1 0 353.768 3.189 20 10 FGCDRO COc1c([O-])c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475935 497128148 /nfs/dbraw/zinc/12/81/48/497128148.db2.gz ILYUSQKICNGRMP-DZGCQCFKSA-N 1 0 363.458 3.052 20 10 FGCDRO COc1ccc(N2CCCN(C(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237264175 497212331 /nfs/dbraw/zinc/21/23/31/497212331.db2.gz VMNUANDJURMJGM-LAUBAEHRSA-N 1 0 367.493 3.070 20 10 FGCDRO C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])CN1CC[NH+](C)CC1 ZINC000192822884 497222738 /nfs/dbraw/zinc/22/27/38/497222738.db2.gz XGBUOLQLIKOISF-CHWSQXEVSA-N 1 0 360.329 3.233 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(Br)cc1O ZINC000279007602 497300793 /nfs/dbraw/zinc/30/07/93/497300793.db2.gz SKNNDMZQQGQPQB-NWDGAFQWSA-N 1 0 350.260 3.264 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2CC)ccc1OC ZINC000275582044 497372159 /nfs/dbraw/zinc/37/21/59/497372159.db2.gz PBRUUXJDRHMXNZ-HKUYNNGSSA-N 1 0 359.470 3.068 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCCCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000279551139 497468707 /nfs/dbraw/zinc/46/87/07/497468707.db2.gz AMWPEXXHNDCTAI-UHFFFAOYSA-N 1 0 366.449 3.076 20 10 FGCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000279771314 497536698 /nfs/dbraw/zinc/53/66/98/497536698.db2.gz STWYPQQKIFIMCW-SJORKVTESA-N 1 0 359.491 3.390 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000272646225 497689081 /nfs/dbraw/zinc/68/90/81/497689081.db2.gz PAGHTWQVKRZXAP-KBPBESRZSA-N 1 0 350.459 3.136 20 10 FGCDRO CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000276978225 497704830 /nfs/dbraw/zinc/70/48/30/497704830.db2.gz RWXLWZSNOHYYHI-UHFFFAOYSA-N 1 0 354.498 3.053 20 10 FGCDRO CCOc1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1O ZINC000280476532 497766041 /nfs/dbraw/zinc/76/60/41/497766041.db2.gz DCGPHQJOFWOZDJ-UHFFFAOYSA-N 1 0 368.275 3.320 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272949502 497768935 /nfs/dbraw/zinc/76/89/35/497768935.db2.gz MPDNCHUWWXDVKX-KRWDZBQOSA-N 1 0 358.530 3.323 20 10 FGCDRO C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1=CC[N@H+](C)CC1 ZINC000273024140 497785700 /nfs/dbraw/zinc/78/57/00/497785700.db2.gz UFPOECQMOUNFDF-MRXNPFEDSA-N 1 0 356.514 3.077 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000280890584 497936979 /nfs/dbraw/zinc/93/69/79/497936979.db2.gz FBXZKEYTWYLHLH-JSGCOSHPSA-N 1 0 369.303 3.372 20 10 FGCDRO CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cc(Br)ccc1O ZINC000296571428 498100246 /nfs/dbraw/zinc/10/02/46/498100246.db2.gz SYEAJVFLXKVCNN-GFCCVEGCSA-N 1 0 351.248 3.391 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNc3ncc(C)cc3[N+](=O)[O-])cc2F)CC1 ZINC000301418553 498101228 /nfs/dbraw/zinc/10/12/28/498101228.db2.gz DBMXACWPUSGMBT-UHFFFAOYSA-N 1 0 373.432 3.191 20 10 FGCDRO COCCOC1(C[NH2+][C@H](C)c2ccc3ccccc3c2O)CCOCC1 ZINC000296607129 498118464 /nfs/dbraw/zinc/11/84/64/498118464.db2.gz WAIAKICCNRKXGR-MRXNPFEDSA-N 1 0 359.466 3.408 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)c1 ZINC000365045162 498270504 /nfs/dbraw/zinc/27/05/04/498270504.db2.gz UEQOAXVPEYXMAY-HXUWFJFHSA-N 1 0 360.498 3.404 20 10 FGCDRO COc1ccc([C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N(C)C)cc1OC ZINC000296992950 498280105 /nfs/dbraw/zinc/28/01/05/498280105.db2.gz SKMFJEGGYHAHMR-SJORKVTESA-N 1 0 356.466 3.289 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000297058831 498306517 /nfs/dbraw/zinc/30/65/17/498306517.db2.gz NMOULXXCYHLNTH-ALOPSCKCSA-N 1 0 362.493 3.096 20 10 FGCDRO C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)nc2)CC1 ZINC000297086107 498319215 /nfs/dbraw/zinc/31/92/15/498319215.db2.gz XAKZIESDLUBEOZ-GOSISDBHSA-N 1 0 352.482 3.417 20 10 FGCDRO Cc1noc([C@H]2CCCN2Cc2cc(Br)cc(C)c2O)n1 ZINC000289915085 498351510 /nfs/dbraw/zinc/35/15/10/498351510.db2.gz VHSUQNXYEMKJMD-CYBMUJFWSA-N 1 0 352.232 3.492 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297339592 498410736 /nfs/dbraw/zinc/41/07/36/498410736.db2.gz CBIIGZIJOXSLRA-UHFFFAOYSA-N 1 0 358.530 3.301 20 10 FGCDRO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000290178954 498454336 /nfs/dbraw/zinc/45/43/36/498454336.db2.gz NJBHDOMXRRGJHS-VFNWGFHPSA-N 1 0 359.466 3.362 20 10 FGCDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000362020049 498454975 /nfs/dbraw/zinc/45/49/75/498454975.db2.gz GKLVGNNSQRUFDY-MRXNPFEDSA-N 1 0 361.445 3.013 20 10 FGCDRO COCc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000297627982 498517033 /nfs/dbraw/zinc/51/70/33/498517033.db2.gz LUFOFZYOCAHELM-ZDUSSCGKSA-N 1 0 367.396 3.181 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000365711449 498609410 /nfs/dbraw/zinc/60/94/10/498609410.db2.gz FAGVCWLGGUWDEL-NRFANRHFSA-N 1 0 358.457 3.469 20 10 FGCDRO O[C@@H]1[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC12CCOCC2 ZINC000282699115 498617908 /nfs/dbraw/zinc/61/79/08/498617908.db2.gz LWKVNHIFVQJMNO-PZJWPPBQSA-N 1 0 358.526 3.334 20 10 FGCDRO Cc1cnc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)o1 ZINC000572943824 506088864 /nfs/dbraw/zinc/08/88/64/506088864.db2.gz KFTDRYTXVSZRAW-UHFFFAOYSA-N 1 0 366.465 3.021 20 10 FGCDRO Cc1ccc(C2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)cn1 ZINC000363675894 498938203 /nfs/dbraw/zinc/93/82/03/498938203.db2.gz VAKFSCKRMVTBRY-UHFFFAOYSA-N 1 0 368.393 3.013 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1O ZINC000363850450 499024388 /nfs/dbraw/zinc/02/43/88/499024388.db2.gz HKDSESKUFSCNMY-YOEHRIQHSA-N 1 0 366.440 3.379 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1O ZINC000363851744 499025939 /nfs/dbraw/zinc/02/59/39/499025939.db2.gz IJMSEFZDGLLBOD-WFASDCNBSA-N 1 0 360.433 3.107 20 10 FGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C2 ZINC000363866022 499030656 /nfs/dbraw/zinc/03/06/56/499030656.db2.gz OAQNPSVFAISBFI-YGRLFVJLSA-N 1 0 362.271 3.461 20 10 FGCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000295662031 499074676 /nfs/dbraw/zinc/07/46/76/499074676.db2.gz JLCJKSXHZBTAIZ-QGZVFWFLSA-N 1 0 357.523 3.485 20 10 FGCDRO CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1O ZINC000370773788 499253148 /nfs/dbraw/zinc/25/31/48/499253148.db2.gz NOBDTSVIWUDEKV-UHFFFAOYSA-N 1 0 358.438 3.087 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c(O)c1 ZINC000368330665 499285902 /nfs/dbraw/zinc/28/59/02/499285902.db2.gz HDUBNTNKPBSMHY-HNNXBMFYSA-N 1 0 354.450 3.362 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[N@H+](C)[C@H]4C3)ccc21 ZINC000368588870 499310612 /nfs/dbraw/zinc/31/06/12/499310612.db2.gz HHEDLBSXZNVHCQ-UWJYYQICSA-N 1 0 369.509 3.071 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000368794218 499333295 /nfs/dbraw/zinc/33/32/95/499333295.db2.gz AIHFLPZBYZGMCH-AWEZNQCLSA-N 1 0 360.479 3.371 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000369120569 499367606 /nfs/dbraw/zinc/36/76/06/499367606.db2.gz VQUJSMBWQNWRTQ-DLBZAZTESA-N 1 0 362.493 3.098 20 10 FGCDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000372433603 499434243 /nfs/dbraw/zinc/43/42/43/499434243.db2.gz LUWXGNMPOMKGBW-UHFFFAOYSA-N 1 0 356.514 3.057 20 10 FGCDRO COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000373120786 499452445 /nfs/dbraw/zinc/45/24/45/499452445.db2.gz HRAOYQFLVDMBIK-IBGZPJMESA-N 1 0 360.498 3.022 20 10 FGCDRO CCC[C@](C)([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000378202672 499490164 /nfs/dbraw/zinc/49/01/64/499490164.db2.gz GWZKLIGISJKYQF-KRWDZBQOSA-N 1 0 373.419 3.188 20 10 FGCDRO Cc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c(C)n1-c1ccccn1 ZINC000375252882 499499608 /nfs/dbraw/zinc/49/96/08/499499608.db2.gz NYQLKYONFJQLGJ-UHFFFAOYSA-N 1 0 352.482 3.095 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000375256975 499499923 /nfs/dbraw/zinc/49/99/23/499499923.db2.gz WJWJFTFGDMOMMZ-OAHLLOKOSA-N 1 0 372.440 3.449 20 10 FGCDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000378378359 499509032 /nfs/dbraw/zinc/50/90/32/499509032.db2.gz PQMLICYMUHAFDA-YADHBBJMSA-N 1 0 368.525 3.499 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)c1O ZINC000378439306 499516527 /nfs/dbraw/zinc/51/65/27/499516527.db2.gz OJZYBDPOBNUFID-UHFFFAOYSA-N 1 0 359.857 3.097 20 10 FGCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000376389836 499605233 /nfs/dbraw/zinc/60/52/33/499605233.db2.gz XTZAQCXOPBMFHC-UHFFFAOYSA-N 1 0 368.481 3.163 20 10 FGCDRO CC[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(C)cc1O ZINC000376572473 499619619 /nfs/dbraw/zinc/61/96/19/499619619.db2.gz SRCHOIVFHJOGGU-QZTJIDSGSA-N 1 0 354.450 3.381 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000377626109 499712157 /nfs/dbraw/zinc/71/21/57/499712157.db2.gz MXJZIRJVTLSVOR-ZOBUZTSGSA-N 1 0 362.449 3.079 20 10 FGCDRO CC[NH+]1CCC(CCNC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471980314 502189478 /nfs/dbraw/zinc/18/94/78/502189478.db2.gz USRMWQRKYNVNMF-UHFFFAOYSA-N 1 0 356.514 3.408 20 10 FGCDRO CCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000488836094 502821719 /nfs/dbraw/zinc/82/17/19/502821719.db2.gz HZYPUWYIRGWVKJ-UHFFFAOYSA-N 1 0 359.514 3.366 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)ccc21 ZINC000518432174 503982984 /nfs/dbraw/zinc/98/29/84/503982984.db2.gz MJHCSUUSXKECOQ-OAQYLSRUSA-N 1 0 369.509 3.071 20 10 FGCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C)cc(OC)c1O ZINC000825318295 607846155 /nfs/dbraw/zinc/84/61/55/607846155.db2.gz KYLKFAVNTVOQNC-UHFFFAOYSA-N 1 0 367.453 3.302 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824619677 609138387 /nfs/dbraw/zinc/13/83/87/609138387.db2.gz YSJBRZDZHBFIGH-LLVKDONJSA-N 1 0 358.396 3.062 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N(C)C)cc1 ZINC000090591793 700405576 /nfs/dbraw/zinc/40/55/76/700405576.db2.gz OYYRUFOCRRIZGE-JKSUJKDBSA-N 1 0 357.420 3.347 20 10 FGCDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000090882574 700408212 /nfs/dbraw/zinc/40/82/12/700408212.db2.gz BXRODBMRZDLZEZ-INIZCTEOSA-N 1 0 350.528 3.152 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000113313417 700570837 /nfs/dbraw/zinc/57/08/37/700570837.db2.gz MGPHNFSXNZYZDP-SFHVURJKSA-N 1 0 364.848 3.348 20 10 FGCDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000113341076 700570986 /nfs/dbraw/zinc/57/09/86/700570986.db2.gz RZIZSOYGYQCTIU-UHFFFAOYSA-N 1 0 358.825 3.212 20 10 FGCDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000121039879 700664449 /nfs/dbraw/zinc/66/44/49/700664449.db2.gz BCRNXQPBFBGEDT-RDJZCZTQSA-N 1 0 368.905 3.023 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)cn1 ZINC000126380626 700747456 /nfs/dbraw/zinc/74/74/56/700747456.db2.gz LPVDNCQHCIWSKJ-CQSZACIVSA-N 1 0 361.873 3.431 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000126926476 700754554 /nfs/dbraw/zinc/75/45/54/700754554.db2.gz XWWZEORHZLLGLS-INIZCTEOSA-N 1 0 359.495 3.432 20 10 FGCDRO CSCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262973 704818576 /nfs/dbraw/zinc/81/85/76/704818576.db2.gz BNJGKPPJIXDUPF-OAHLLOKOSA-N 1 0 356.919 3.269 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000172122510 705408177 /nfs/dbraw/zinc/40/81/77/705408177.db2.gz NHJCZMXUSUAZNZ-QGZVFWFLSA-N 1 0 360.523 3.236 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000178201359 705658521 /nfs/dbraw/zinc/65/85/21/705658521.db2.gz LPEAVANJJKHYGG-LLVKDONJSA-N 1 0 351.372 3.459 20 10 FGCDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC000178665352 705672155 /nfs/dbraw/zinc/67/21/55/705672155.db2.gz HAVQHLVJNZNPJH-NSHDSACASA-N 1 0 364.287 3.324 20 10 FGCDRO CCOCc1cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)ccc1OC ZINC000178831331 705677714 /nfs/dbraw/zinc/67/77/14/705677714.db2.gz KYSRTCFEDDAJIF-UHFFFAOYSA-N 1 0 350.503 3.262 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000180037630 705725857 /nfs/dbraw/zinc/72/58/57/705725857.db2.gz SJHLSEGKVJRBRO-UHFFFAOYSA-N 1 0 362.271 3.180 20 10 FGCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1O ZINC000235463337 713580197 /nfs/dbraw/zinc/58/01/97/713580197.db2.gz LCGPTXNUVZSBFW-SNVBAGLBSA-N 1 0 359.264 3.158 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000237093766 713587847 /nfs/dbraw/zinc/58/78/47/713587847.db2.gz DBULZFZLHKLKJE-OAHLLOKOSA-N 1 0 351.466 3.381 20 10 FGCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000247531465 713641722 /nfs/dbraw/zinc/64/17/22/713641722.db2.gz JNQHOOMYQZNZRF-KGLIPLIRSA-N 1 0 356.561 3.045 20 10 FGCDRO CN1C(=O)C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000779100754 724390026 /nfs/dbraw/zinc/39/00/26/724390026.db2.gz SDBNPMSLMFVRIZ-YJBOKZPZSA-N 1 0 366.795 3.385 20 10 FGCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2c(O)cccc2Cl)cc(OC)c1 ZINC000747622806 722653081 /nfs/dbraw/zinc/65/30/81/722653081.db2.gz YQOFMJHHFUGOIN-CQSZACIVSA-N 1 0 365.857 3.004 20 10 FGCDRO CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1 ZINC000769396425 723684299 /nfs/dbraw/zinc/68/42/99/723684299.db2.gz LEXNSPFUWLPRKN-AWEZNQCLSA-N 1 0 350.459 3.232 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000781912856 724611850 /nfs/dbraw/zinc/61/18/50/724611850.db2.gz QZZAMNPYLYCBGL-UHFFFAOYSA-N 1 0 371.319 3.006 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000781911431 724611459 /nfs/dbraw/zinc/61/14/59/724611459.db2.gz MNYLAACEOYRVPR-CQSZACIVSA-N 1 0 353.304 3.381 20 10 FGCDRO CC[NH+](CC)CCN(CCOC)Cc1cc(C)cc(Br)c1O ZINC000781912521 724611574 /nfs/dbraw/zinc/61/15/74/724611574.db2.gz OKQCROVKCAANFD-UHFFFAOYSA-N 1 0 373.335 3.253 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1O ZINC000700781184 722409859 /nfs/dbraw/zinc/40/98/59/722409859.db2.gz TUGDOPMSGFIMTG-UKRRQHHQSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1ccc(N2CCC[N@H+](CC[S@](=O)c3ccccc3)CC2)cc1 ZINC000729473446 722459819 /nfs/dbraw/zinc/45/98/19/722459819.db2.gz DMRUGCQTLFZBBZ-VWLOTQADSA-N 1 0 358.507 3.015 20 10 FGCDRO O=C(C[NH2+]Cc1cc2c(cc1O)OCO2)Nc1cc(Cl)ccc1Cl ZINC000732228963 722482811 /nfs/dbraw/zinc/48/28/11/722482811.db2.gz ZGQXSAIMMPHJPP-UHFFFAOYSA-N 1 0 369.204 3.156 20 10 FGCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000733313450 722495451 /nfs/dbraw/zinc/49/54/51/722495451.db2.gz SULGDNIIPNMVRI-UHFFFAOYSA-N 1 0 359.901 3.197 20 10 FGCDRO CC[NH+](CC)Cc1ccc(C(=O)NCCCSc2nccs2)o1 ZINC000733974596 722503009 /nfs/dbraw/zinc/50/30/09/722503009.db2.gz XECDXBROIJZBHU-UHFFFAOYSA-N 1 0 353.513 3.490 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)c2ccsc2)ccc1N1CCCCC1 ZINC000740011850 722534708 /nfs/dbraw/zinc/53/47/08/722534708.db2.gz UKTVDCGVYLILKF-SFHVURJKSA-N 1 0 361.467 3.470 20 10 FGCDRO CN(C)C[C@@](C)(O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000752110409 722845436 /nfs/dbraw/zinc/84/54/36/722845436.db2.gz FEMPSOIMGSQJMU-NRFANRHFSA-N 1 0 350.547 3.389 20 10 FGCDRO CC(=O)NC1CCC([N@H+](C)Cc2cc(Br)cc(C)c2O)CC1 ZINC000753592187 722905794 /nfs/dbraw/zinc/90/57/94/722905794.db2.gz RUPYOWGVURPIEC-UHFFFAOYSA-N 1 0 369.303 3.342 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1 ZINC000754085424 722926796 /nfs/dbraw/zinc/92/67/96/722926796.db2.gz LMNMOZPSUBQLFX-QGZVFWFLSA-N 1 0 360.523 3.236 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)cc1O ZINC000756396229 722963903 /nfs/dbraw/zinc/96/39/03/722963903.db2.gz IEDPKPFKEIKVBB-TZMCWYRMSA-N 1 0 366.255 3.245 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756434714 722964529 /nfs/dbraw/zinc/96/45/29/722964529.db2.gz OXBNQXMZAGHLIJ-BLLLJJGKSA-N 1 0 363.454 3.414 20 10 FGCDRO C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O ZINC000756649343 722968172 /nfs/dbraw/zinc/96/81/72/722968172.db2.gz OZVNIWPWJLVMSW-JTQLQIEISA-N 1 0 371.275 3.425 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(Br)cc1O ZINC000756661664 722968392 /nfs/dbraw/zinc/96/83/92/722968392.db2.gz SLUNMNFXCRRMOP-NEPJUHHUSA-N 1 0 354.244 3.250 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000756738810 722969337 /nfs/dbraw/zinc/96/93/37/722969337.db2.gz LLDOBMOOAJXJEH-IAOVAPTHSA-N 1 0 351.512 3.277 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(Br)ccc1O ZINC000756788559 722970110 /nfs/dbraw/zinc/97/01/10/722970110.db2.gz WGLCVBARYANDRF-YPMHNXCESA-N 1 0 356.260 3.491 20 10 FGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1OC ZINC000765263927 723499251 /nfs/dbraw/zinc/49/92/51/723499251.db2.gz ZVVDTXGCPATAAZ-MOPGFXCFSA-N 1 0 350.478 3.346 20 10 FGCDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981614 723549897 /nfs/dbraw/zinc/54/98/97/723549897.db2.gz XYDYFXQKTHKPTR-QGZVFWFLSA-N 1 0 352.544 3.226 20 10 FGCDRO C[C@H]([NH2+]CCCSc1nccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000766073461 723554098 /nfs/dbraw/zinc/55/40/98/723554098.db2.gz WJFIJIXTCQDONK-LBPRGKRZSA-N 1 0 371.553 3.348 20 10 FGCDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000766136278 723558113 /nfs/dbraw/zinc/55/81/13/723558113.db2.gz CSMZQMARHJHABK-KDOFPFPSSA-N 1 0 364.873 3.462 20 10 FGCDRO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274090 723565732 /nfs/dbraw/zinc/56/57/32/723565732.db2.gz SUMGHDTXSSNMHK-JKSUJKDBSA-N 1 0 351.922 3.312 20 10 FGCDRO C[C@](CO)([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000796470971 723639128 /nfs/dbraw/zinc/63/91/28/723639128.db2.gz OSMFSFKYWYYHER-GOSISDBHSA-N 1 0 362.267 3.381 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000796529014 723641714 /nfs/dbraw/zinc/64/17/14/723641714.db2.gz LKIWVDXNQSCCBC-QWHCGFSZSA-N 1 0 362.499 3.176 20 10 FGCDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1O)OC[C@H]3O)CCC2 ZINC000768463776 723658418 /nfs/dbraw/zinc/65/84/18/723658418.db2.gz WWNCPDRSLGZRSK-GOEBONIOSA-N 1 0 360.479 3.346 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1F ZINC000769196818 723679300 /nfs/dbraw/zinc/67/93/00/723679300.db2.gz ZNSOQKGBFROJPZ-OAHLLOKOSA-N 1 0 351.466 3.238 20 10 FGCDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769548191 723689485 /nfs/dbraw/zinc/68/94/85/723689485.db2.gz HVTCYFDJRDCCFR-ICSRJNTNSA-N 1 0 350.478 3.298 20 10 FGCDRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000769686579 723692161 /nfs/dbraw/zinc/69/21/61/723692161.db2.gz BBTDULHAZBZSAI-POAQFYNOSA-N 1 0 364.555 3.226 20 10 FGCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccsc2)ccc1N1CCCCC1 ZINC000769931845 723701281 /nfs/dbraw/zinc/70/12/81/723701281.db2.gz CVSQZZQSGWBRHA-MRXNPFEDSA-N 1 0 361.467 3.470 20 10 FGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000771197985 723730025 /nfs/dbraw/zinc/73/00/25/723730025.db2.gz QMZYTRKAVFPQAN-SFHVURJKSA-N 1 0 362.539 3.058 20 10 FGCDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000772958422 723773172 /nfs/dbraw/zinc/77/31/72/723773172.db2.gz KEJKCGLOFMQCMD-CQSZACIVSA-N 1 0 367.921 3.132 20 10 FGCDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773118645 723777017 /nfs/dbraw/zinc/77/70/17/723777017.db2.gz PGOIYPCBXREQME-IAQYHMDHSA-N 1 0 366.811 3.141 20 10 FGCDRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773625048 723806944 /nfs/dbraw/zinc/80/69/44/723806944.db2.gz PBPVHJMJQQHVRW-RHSMWYFYSA-N 1 0 360.527 3.477 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCc2sccc2C1 ZINC000774486622 723899302 /nfs/dbraw/zinc/89/93/02/723899302.db2.gz WNRQDOGCSOBLSH-GJZGRUSLSA-N 1 0 357.523 3.438 20 10 FGCDRO COc1c(O)c(C[NH2+]Cc2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000774950238 723944947 /nfs/dbraw/zinc/94/49/47/723944947.db2.gz NBQGVNWGCAVLAO-UHFFFAOYSA-N 1 0 373.228 3.423 20 10 FGCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000775175030 723968464 /nfs/dbraw/zinc/96/84/64/723968464.db2.gz FKTHCSFSMYVVQH-INIZCTEOSA-N 1 0 358.276 3.290 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000775738330 724035283 /nfs/dbraw/zinc/03/52/83/724035283.db2.gz ANNSUMRIPXRENT-ZIAGYGMSSA-N 1 0 350.459 3.136 20 10 FGCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(F)(F)F ZINC000777011273 724205792 /nfs/dbraw/zinc/20/57/92/724205792.db2.gz MQQXUUCCGPUFAB-ABAIWWIYSA-N 1 0 366.811 3.405 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000785615207 724925802 /nfs/dbraw/zinc/92/58/02/724925802.db2.gz LXQGHZAHAJABJM-IBGZPJMESA-N 1 0 364.848 3.139 20 10 FGCDRO CCOC(CC[NH2+]Cc1cc(Br)cc(OC)c1O)OCC ZINC000786835269 725002953 /nfs/dbraw/zinc/00/29/53/725002953.db2.gz OJFFWHYDGSSLHP-UHFFFAOYSA-N 1 0 362.264 3.042 20 10 FGCDRO CSCC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)N(C)C ZINC000806662658 725139894 /nfs/dbraw/zinc/13/98/94/725139894.db2.gz MUXXEZFHVNUNMS-DYVFJYSZSA-N 1 0 350.528 3.132 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1O ZINC000808718748 725214766 /nfs/dbraw/zinc/21/47/66/725214766.db2.gz QVQUGBSMPMNXLB-RISCZKNCSA-N 1 0 366.811 3.268 20 10 FGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc(Br)ccc1O ZINC000808729861 725215138 /nfs/dbraw/zinc/21/51/38/725215138.db2.gz QLTNXMQXNNHVDE-IXBGWNDUSA-N 1 0 364.239 3.300 20 10 FGCDRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809690100 725258891 /nfs/dbraw/zinc/25/88/91/725258891.db2.gz HDSZXHYTEUUBIZ-NSHDSACASA-N 1 0 364.795 3.326 20 10 FGCDRO COc1cc(Br)cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000809703097 725260425 /nfs/dbraw/zinc/26/04/25/725260425.db2.gz DDKHAUGKGAECHE-IUODEOHRSA-N 1 0 369.303 3.222 20 10 FGCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000809713126 725261605 /nfs/dbraw/zinc/26/16/05/725261605.db2.gz JGEZBDFXYYSIJG-UHFFFAOYSA-N 1 0 350.212 3.231 20 10 FGCDRO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](O)C(F)(F)F ZINC000809750711 725264938 /nfs/dbraw/zinc/26/49/38/725264938.db2.gz FJPLSHKOGRJQPT-QGZVFWFLSA-N 1 0 355.356 3.326 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000809767538 725266467 /nfs/dbraw/zinc/26/64/67/725266467.db2.gz NMAVSKLBASQPBT-BBRMVZONSA-N 1 0 353.304 3.379 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000809772355 725267718 /nfs/dbraw/zinc/26/77/18/725267718.db2.gz UHODSPJYSNZVSP-ZFWWWQNUSA-N 1 0 350.459 3.278 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000810259744 725300418 /nfs/dbraw/zinc/30/04/18/725300418.db2.gz RLAJYQFCXCYFAM-IFXJQAMLSA-N 1 0 352.906 3.378 20 10 FGCDRO COC[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812536057 725399670 /nfs/dbraw/zinc/39/96/70/725399670.db2.gz OXUAPZAJLGNUPS-ZQIUZPCESA-N 1 0 368.905 3.045 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)OCC(C)C)CC2)c1 ZINC000813330739 726862226 /nfs/dbraw/zinc/86/22/26/726862226.db2.gz FUYWWHQQHNUQKQ-AWEZNQCLSA-N 1 0 350.459 3.308 20 10 FGCDRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000814170812 726944227 /nfs/dbraw/zinc/94/42/27/726944227.db2.gz DAAUZNLLSVLSAY-LJQANCHMSA-N 1 0 364.555 3.466 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1O ZINC000814171038 726944411 /nfs/dbraw/zinc/94/44/11/726944411.db2.gz IPTDTSWHVPFPHZ-INIZCTEOSA-N 1 0 372.303 3.440 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000815166432 727047573 /nfs/dbraw/zinc/04/75/73/727047573.db2.gz KZGOHNYAHCKVLO-UHFFFAOYSA-N 1 0 366.914 3.360 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816549013 727174286 /nfs/dbraw/zinc/17/42/86/727174286.db2.gz AGMYOWGENFFYLI-CXAGYDPISA-N 1 0 358.885 3.411 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1O ZINC000816624873 727182018 /nfs/dbraw/zinc/18/20/18/727182018.db2.gz JYGYKIKTEHUONZ-KRWDZBQOSA-N 1 0 364.283 3.499 20 10 FGCDRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817548999 727263928 /nfs/dbraw/zinc/26/39/28/727263928.db2.gz GPMCEQSCNSFNQU-BBRMVZONSA-N 1 0 358.816 3.172 20 10 FGCDRO C[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817939270 727288723 /nfs/dbraw/zinc/28/87/23/727288723.db2.gz BSYBUYHQUMICHU-QMMMGPOBSA-N 1 0 366.097 3.177 20 10 FGCDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064010 727343620 /nfs/dbraw/zinc/34/36/20/727343620.db2.gz SDKSPCIPFISUHP-HNNXBMFYSA-N 1 0 352.525 3.272 20 10 FGCDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823676826 729297955 /nfs/dbraw/zinc/29/79/55/729297955.db2.gz JTCAYOTZRXUJJE-INIZCTEOSA-N 1 0 357.523 3.485 20 10 FGCDRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824091645 729319263 /nfs/dbraw/zinc/31/92/63/729319263.db2.gz LPDPNUYKSZPCDM-QGZVFWFLSA-N 1 0 359.539 3.195 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824635276 729351713 /nfs/dbraw/zinc/35/17/13/729351713.db2.gz FZPFJLBHKGXOES-VQIMIIECSA-N 1 0 365.832 3.354 20 10 FGCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824870503 729363126 /nfs/dbraw/zinc/36/31/26/729363126.db2.gz SLRZTAYCQCGFPG-LBPRGKRZSA-N 1 0 356.260 3.318 20 10 FGCDRO Fc1cc(C[NH2+]C2CCC(OC(F)F)CC2)ccc1N1CCOCC1 ZINC000825143043 729372701 /nfs/dbraw/zinc/37/27/01/729372701.db2.gz ALBDUWNLTJVTIA-UHFFFAOYSA-N 1 0 358.404 3.302 20 10 FGCDRO COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CCCC1 ZINC000825244915 729375627 /nfs/dbraw/zinc/37/56/27/729375627.db2.gz BNUJHPPRBYZOTM-UHFFFAOYSA-N 1 0 358.276 3.460 20 10 FGCDRO Oc1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000825489333 729385029 /nfs/dbraw/zinc/38/50/29/729385029.db2.gz IUKWWMCIGRBBIA-ZDUSSCGKSA-N 1 0 370.287 3.172 20 10 FGCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825652844 729390639 /nfs/dbraw/zinc/39/06/39/729390639.db2.gz ZDCFBXMEGVJSNQ-MRXNPFEDSA-N 1 0 350.256 3.156 20 10 FGCDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825710456 729392408 /nfs/dbraw/zinc/39/24/08/729392408.db2.gz QCSXPVNOCATTBB-ZWNOBZJWSA-N 1 0 368.193 3.290 20 10 FGCDRO C[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000825754082 729394029 /nfs/dbraw/zinc/39/40/29/729394029.db2.gz ZJWAQNJHHMZRMS-XNJGSVPQSA-N 1 0 370.287 3.313 20 10 FGCDRO OC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@@H]1C(F)(F)F ZINC000825887622 729398564 /nfs/dbraw/zinc/39/85/64/729398564.db2.gz VSAFRKXYYQJENN-JQWIXIFHSA-N 1 0 368.193 3.147 20 10 FGCDRO NC(=O)CC1(C[NH2+]Cc2ccc(Br)cc2O)CCCCC1 ZINC000827751609 729434256 /nfs/dbraw/zinc/43/42/56/729434256.db2.gz WKDGQOZFKAGDIZ-UHFFFAOYSA-N 1 0 355.276 3.070 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(c3cccc(Cl)c3)CC2)cc1 ZINC000832292712 729703094 /nfs/dbraw/zinc/70/30/94/729703094.db2.gz KJXIZPBNIJYCRS-SFHVURJKSA-N 1 0 357.885 3.254 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H](O)C(F)F ZINC000834875854 729840904 /nfs/dbraw/zinc/84/09/04/729840904.db2.gz UUHKJKRDWFGRCY-XFBWCDHKSA-N 1 0 362.848 3.232 20 10 FGCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052442 729853343 /nfs/dbraw/zinc/85/33/43/729853343.db2.gz OJTHGYHAFKEFRP-LAQIPUCWSA-N 1 0 356.388 3.193 20 10 FGCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840759484 730170383 /nfs/dbraw/zinc/17/03/83/730170383.db2.gz MSHDTDKPPYCMOX-MAUKXSAKSA-N 1 0 354.441 3.096 20 10 FGCDRO COC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000840759101 730170409 /nfs/dbraw/zinc/17/04/09/730170409.db2.gz KAOZTKRYXLLNGL-GOSISDBHSA-N 1 0 354.441 3.096 20 10 FGCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000840890402 730188718 /nfs/dbraw/zinc/18/87/18/730188718.db2.gz NCBVTANYKGDIOO-CQSZACIVSA-N 1 0 351.512 3.137 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000840917817 730191066 /nfs/dbraw/zinc/19/10/66/730191066.db2.gz NLONKCABBVRBRS-LBPRGKRZSA-N 1 0 362.817 3.344 20 10 FGCDRO C[NH2+]CCCN(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841104905 730212017 /nfs/dbraw/zinc/21/20/17/730212017.db2.gz WLIZVEAQBBMXQB-UHFFFAOYSA-N 1 0 354.336 3.481 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1O ZINC000841747668 730270055 /nfs/dbraw/zinc/27/00/55/730270055.db2.gz RWNLXLKOJZDIDN-GFCCVEGCSA-N 1 0 353.871 3.441 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2Cl)C1 ZINC000841897422 730284219 /nfs/dbraw/zinc/28/42/19/730284219.db2.gz SWNLKKUFIDNKKL-CYBMUJFWSA-N 1 0 352.910 3.113 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)ccc1O ZINC000842883581 730553506 /nfs/dbraw/zinc/55/35/06/730553506.db2.gz DWKXDMXEKAUPKU-ZWNOBZJWSA-N 1 0 355.276 3.205 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1O ZINC000843120853 730588439 /nfs/dbraw/zinc/58/84/39/730588439.db2.gz WVIDFNXHAQQOPT-MRXNPFEDSA-N 1 0 362.271 3.005 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1O ZINC000843409677 730616722 /nfs/dbraw/zinc/61/67/22/730616722.db2.gz UMSYAKFIFJETTH-ZFWWWQNUSA-N 1 0 350.459 3.136 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccsc1 ZINC000844879862 730784483 /nfs/dbraw/zinc/78/44/83/730784483.db2.gz MDYNLMSQISJSMF-CQSZACIVSA-N 1 0 353.875 3.209 20 10 FGCDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846058211 730924173 /nfs/dbraw/zinc/92/41/73/730924173.db2.gz OBRRRSBGFVPPPZ-UHFFFAOYSA-N 1 0 363.767 3.318 20 10 FGCDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000846107101 730929305 /nfs/dbraw/zinc/92/93/05/730929305.db2.gz HGFQAEFBTYVXDM-AWEZNQCLSA-N 1 0 363.255 3.021 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)c1O ZINC000846143741 730931855 /nfs/dbraw/zinc/93/18/55/730931855.db2.gz GVPBAPXYKGAULX-ZDUSSCGKSA-N 1 0 350.459 3.451 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C3CC3)CC2)c1O ZINC000848522968 731174841 /nfs/dbraw/zinc/17/48/41/731174841.db2.gz ZUKSQCJDGAAJCC-NSHDSACASA-N 1 0 369.303 3.441 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1O ZINC000848532257 731176342 /nfs/dbraw/zinc/17/63/42/731176342.db2.gz BJMPDIOBSUBKDS-MNOVXSKESA-N 1 0 354.248 3.099 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)c1O ZINC000848548371 731179481 /nfs/dbraw/zinc/17/94/81/731179481.db2.gz WHNBPCJDLWZUOY-MISXGVKJSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCOC(F)F)c1O ZINC000848549256 731179732 /nfs/dbraw/zinc/17/97/32/731179732.db2.gz PZHYNOLNAJBREM-MRVPVSSYSA-N 1 0 354.191 3.443 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000848552791 731180664 /nfs/dbraw/zinc/18/06/64/731180664.db2.gz NNIXSHUOKOMXJM-UWVGGRQHSA-N 1 0 354.248 3.309 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000848568933 731183138 /nfs/dbraw/zinc/18/31/38/731183138.db2.gz AWEAPWQCLDRKNC-GXTWGEPZSA-N 1 0 369.259 3.179 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848575580 731184618 /nfs/dbraw/zinc/18/46/18/731184618.db2.gz SPTAWTUQMLXJMC-GJZGRUSLSA-N 1 0 369.303 3.270 20 10 FGCDRO CCc1cccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1O ZINC000848910955 731219327 /nfs/dbraw/zinc/21/93/27/731219327.db2.gz OYENAZDTTJDNDH-UHFFFAOYSA-N 1 0 361.873 3.331 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cccc(CC)c2O)s1 ZINC000848910982 731219503 /nfs/dbraw/zinc/21/95/03/731219503.db2.gz PIPYLBZBVALFBZ-NEPJUHHUSA-N 1 0 362.499 3.121 20 10 FGCDRO COC(=O)N1CCC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850113770 731320857 /nfs/dbraw/zinc/32/08/57/731320857.db2.gz UYKYZVGFUZUDHO-AWEZNQCLSA-N 1 0 350.459 3.019 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1F ZINC000850353341 731347063 /nfs/dbraw/zinc/34/70/63/731347063.db2.gz APQDQMSVZOEKEO-ZHALLVOQSA-N 1 0 352.494 3.328 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2c(C3CC3)cnn2C)c1O ZINC000850379608 731350187 /nfs/dbraw/zinc/35/01/87/731350187.db2.gz CPVOHWYRUXCRJR-UHFFFAOYSA-N 1 0 366.259 3.064 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000850404841 731353100 /nfs/dbraw/zinc/35/31/00/731353100.db2.gz SOKPKJAYTVZKAZ-OAHLLOKOSA-N 1 0 352.475 3.430 20 10 FGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000850411699 731353884 /nfs/dbraw/zinc/35/38/84/731353884.db2.gz ILTRXCOIOYGWIB-YVEFUNNKSA-N 1 0 350.256 3.409 20 10 FGCDRO CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1[O-] ZINC000850481707 731361341 /nfs/dbraw/zinc/36/13/41/731361341.db2.gz AUYWGGFNYKTNAS-LJQANCHMSA-N 1 0 350.478 3.463 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)C2)cc1 ZINC000850488153 731362371 /nfs/dbraw/zinc/36/23/71/731362371.db2.gz LNBGOLQTGGNSNQ-NBMRYCAZSA-N 1 0 350.553 3.243 20 10 FGCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C1CCOCC1 ZINC000850493048 731363651 /nfs/dbraw/zinc/36/36/51/731363651.db2.gz DTZSSEFQLIYPBY-XHDPSFHLSA-N 1 0 358.276 3.247 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1O ZINC000850559034 731373338 /nfs/dbraw/zinc/37/33/38/731373338.db2.gz WDXZEUXEZOWQSV-NEPJUHHUSA-N 1 0 369.303 3.452 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](OC)[C@@H]1CCOC1 ZINC000851792865 731499234 /nfs/dbraw/zinc/49/92/34/731499234.db2.gz QKHGQLIJOJDODD-WBMJQRKESA-N 1 0 358.276 3.028 20 10 FGCDRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000858089990 732179161 /nfs/dbraw/zinc/17/91/61/732179161.db2.gz HFIVQAGYWRDOBL-STQMWFEESA-N 1 0 371.319 3.132 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]CCN1CCc2sccc2C1 ZINC000858105998 732181128 /nfs/dbraw/zinc/18/11/28/732181128.db2.gz PYAUSVSBZYNZPU-UHFFFAOYSA-N 1 0 367.312 3.364 20 10 FGCDRO CCOc1cccc(C[NH2+]Cc2cc(Br)cnc2OC)c1O ZINC000858248850 732196813 /nfs/dbraw/zinc/19/68/13/732196813.db2.gz DJMXYIWJXOOQSI-UHFFFAOYSA-N 1 0 367.243 3.247 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000859233367 732293672 /nfs/dbraw/zinc/29/36/72/732293672.db2.gz SKOCDPLULFJXJV-CYBMUJFWSA-N 1 0 350.459 3.308 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1 ZINC000862481638 732839119 /nfs/dbraw/zinc/83/91/19/732839119.db2.gz IWYZNCJSVABQLK-SFHVURJKSA-N 1 0 362.857 3.049 20 10 FGCDRO Cc1ccc(O)c(C[N@@H+](C)CCOCCN(C)C(=O)OC(C)(C)C)c1 ZINC000862489380 732841171 /nfs/dbraw/zinc/84/11/71/732841171.db2.gz JPAMPHSGLHKPKH-UHFFFAOYSA-N 1 0 352.475 3.016 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863551464 732976187 /nfs/dbraw/zinc/97/61/87/732976187.db2.gz FLCQUCZIPGQRHQ-BXUZGUMPSA-N 1 0 364.795 3.207 20 10 FGCDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)F ZINC000865440365 733201629 /nfs/dbraw/zinc/20/16/29/733201629.db2.gz IAGHBBCXNDFLLQ-AWEZNQCLSA-N 1 0 356.413 3.260 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866463578 733352953 /nfs/dbraw/zinc/35/29/53/733352953.db2.gz BOPQILIXWPJVQG-ZIBATOQPSA-N 1 0 366.811 3.139 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000866548367 733364498 /nfs/dbraw/zinc/36/44/98/733364498.db2.gz JISTZOWCPHABJT-MELADBBJSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](CO)c2sccc2C)cc1Cn1cccn1 ZINC000873069330 735717090 /nfs/dbraw/zinc/71/70/90/735717090.db2.gz CJSUOXWAWGBIPQ-KRWDZBQOSA-N 1 0 357.479 3.133 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876698621 736133380 /nfs/dbraw/zinc/13/33/80/736133380.db2.gz KQTRLUOZWYSYIW-WBVHZDCISA-N 1 0 367.287 3.035 20 10 FGCDRO OC1CCN(c2ccc(CNCc3nc(Cl)cs3)cc2F)CC1 ZINC000876965144 736168426 /nfs/dbraw/zinc/16/84/26/736168426.db2.gz CNPNRNKPHBBQNR-UHFFFAOYSA-N 1 0 355.866 3.187 20 10 FGCDRO COC(=O)c1cc(C2CC[NH+](Cc3c(O)cccc3Cl)CC2)no1 ZINC000877704367 736708679 /nfs/dbraw/zinc/70/86/79/736708679.db2.gz NCVNZECLCFBVLZ-UHFFFAOYSA-N 1 0 350.802 3.200 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2nn(C)cc2C(F)F)c1O ZINC000877734041 736711600 /nfs/dbraw/zinc/71/16/00/736711600.db2.gz GQCAXNTUEOUHRZ-UHFFFAOYSA-N 1 0 360.202 3.424 20 10 FGCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1cc(Br)no1 ZINC000878565886 736888806 /nfs/dbraw/zinc/88/88/06/736888806.db2.gz VHVSDDYSBSJYTR-CQSZACIVSA-N 1 0 369.259 3.478 20 10 FGCDRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000883305081 737550570 /nfs/dbraw/zinc/55/05/70/737550570.db2.gz NYCHGIXTIDUCRQ-QFBILLFUSA-N 1 0 350.528 3.295 20 10 FGCDRO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000883373622 737559646 /nfs/dbraw/zinc/55/96/46/737559646.db2.gz WIIIQPVBYLZJFB-BPUTZDHNSA-N 1 0 354.491 3.042 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNCc3nsc4ccccc43)cc2)CC1 ZINC000883410170 737564149 /nfs/dbraw/zinc/56/41/49/737564149.db2.gz PYSGHBXAZMQAQW-UHFFFAOYSA-N 1 0 352.507 3.338 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1 ZINC000886261692 739237124 /nfs/dbraw/zinc/23/71/24/739237124.db2.gz AJRYYLSEYNTPNF-PDFPEKILSA-N 1 0 360.523 3.139 20 10 FGCDRO CC[C@H](CC(F)(F)F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248347 739886077 /nfs/dbraw/zinc/88/60/77/739886077.db2.gz LQTIWKLDVCLQQW-CJNGLKHVSA-N 1 0 359.436 3.450 20 10 FGCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000894695144 742319138 /nfs/dbraw/zinc/31/91/38/742319138.db2.gz GQSUPTMLNJFQLJ-CQSZACIVSA-N 1 0 363.479 3.354 20 10 FGCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836686 742459666 /nfs/dbraw/zinc/45/96/66/742459666.db2.gz DUDGKZQEIKTMFU-LBPRGKRZSA-N 1 0 372.156 3.041 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3ncc(C(=O)OC)s3)C2)c1O ZINC000896968018 742623581 /nfs/dbraw/zinc/62/35/81/742623581.db2.gz CBWXYUZLONMWPN-ZDUSSCGKSA-N 1 0 362.451 3.024 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000896984580 742626529 /nfs/dbraw/zinc/62/65/29/742626529.db2.gz MPNUAFWQXXNXQA-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1F ZINC000897260770 742660353 /nfs/dbraw/zinc/66/03/53/742660353.db2.gz MXLNWODGXRIKDS-KRWDZBQOSA-N 1 0 350.478 3.178 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)cc1 ZINC000897539697 742686915 /nfs/dbraw/zinc/68/69/15/742686915.db2.gz ORBUKMQYSOADLA-UHFFFAOYSA-N 1 0 356.457 3.045 20 10 FGCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000897579608 742692079 /nfs/dbraw/zinc/69/20/79/742692079.db2.gz YDLFYNPPQLYJKN-LBPRGKRZSA-N 1 0 366.259 3.301 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898722176 742825586 /nfs/dbraw/zinc/82/55/86/742825586.db2.gz ZCTOEGSZSCOIBT-MNOVXSKESA-N 1 0 366.259 3.025 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898722175 742825704 /nfs/dbraw/zinc/82/57/04/742825704.db2.gz ZCTOEGSZSCOIBT-GHMZBOCLSA-N 1 0 366.259 3.025 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1cc(F)ccc1O ZINC000903426570 743849485 /nfs/dbraw/zinc/84/94/85/743849485.db2.gz ZSPWFCBWGIDPPG-GFCCVEGCSA-N 1 0 364.442 3.286 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000926953157 759856555 /nfs/dbraw/zinc/85/65/55/759856555.db2.gz IHQXDBNWFQPICA-INIZCTEOSA-N 1 0 352.544 3.398 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(Br)cc1O ZINC000927059579 759883842 /nfs/dbraw/zinc/88/38/42/759883842.db2.gz DMAAQCYQKMDACU-VGKMCQHDSA-N 1 0 356.260 3.488 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCSCC1 ZINC000779014981 724380931 /nfs/dbraw/zinc/38/09/31/724380931.db2.gz ZHVYVKJJGUCWJY-QAPCUYQASA-N 1 0 361.555 3.010 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000779022178 724381354 /nfs/dbraw/zinc/38/13/54/724381354.db2.gz NTPRKADMJSCADK-ZDUSSCGKSA-N 1 0 371.319 3.225 20 10 FGCDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779022749 724381881 /nfs/dbraw/zinc/38/18/81/724381881.db2.gz YRPJEIFQSLWTMD-WCQYABFASA-N 1 0 371.275 3.345 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000779029452 724382519 /nfs/dbraw/zinc/38/25/19/724382519.db2.gz IEBRJFUJWNFMGF-LLVKDONJSA-N 1 0 357.292 3.419 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000779035815 724383402 /nfs/dbraw/zinc/38/34/02/724383402.db2.gz IZLVXDZZKLNGHT-VDYMJLGFSA-N 1 0 367.287 3.123 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079459561 494459093 /nfs/dbraw/zinc/45/90/93/494459093.db2.gz PLMXBDDMQWTMQN-IBGZPJMESA-N 1 0 370.541 3.303 20 10 FGCDRO COc1ccc(-c2noc(CN(C)Cc3ccccc3O)n2)c(OC)c1 ZINC000121148880 494616725 /nfs/dbraw/zinc/61/67/25/494616725.db2.gz ZWRUXQJRAIHBPF-UHFFFAOYSA-N 1 0 355.394 3.091 20 10 FGCDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000091918784 494720524 /nfs/dbraw/zinc/72/05/24/494720524.db2.gz UPEIDMOUJZOQIG-UHFFFAOYSA-N 1 0 370.449 3.260 20 10 FGCDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000121522951 494790317 /nfs/dbraw/zinc/79/03/17/494790317.db2.gz LDTMEUYQKHBPAX-HZPDHXFCSA-N 1 0 360.477 3.154 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1F ZINC000093454632 494892752 /nfs/dbraw/zinc/89/27/52/494892752.db2.gz BKRDOLOZUWFHMO-HXUWFJFHSA-N 1 0 374.504 3.351 20 10 FGCDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000111235865 495052309 /nfs/dbraw/zinc/05/23/09/495052309.db2.gz WEIGATTYFRGCCG-GJZGRUSLSA-N 1 0 372.465 3.107 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105276122 495351714 /nfs/dbraw/zinc/35/17/14/495351714.db2.gz MZNBFMIRIMCKCE-IBGZPJMESA-N 1 0 360.546 3.405 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1[O-] ZINC000185372175 495552750 /nfs/dbraw/zinc/55/27/50/495552750.db2.gz GAJAMBZBXBBFAK-OAHLLOKOSA-N 1 0 358.457 3.339 20 10 FGCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1cccn1 ZINC000179646646 495676637 /nfs/dbraw/zinc/67/66/37/495676637.db2.gz GXARXJSVRAFLEN-PXNSSMCTSA-N 1 0 351.450 3.213 20 10 FGCDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cccc(OC)c2O)c1 ZINC000173782893 495691638 /nfs/dbraw/zinc/69/16/38/495691638.db2.gz SUYAPMIVJQYZDK-UHFFFAOYSA-N 1 0 371.481 3.242 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000151069944 495729547 /nfs/dbraw/zinc/72/95/47/495729547.db2.gz IESVCWODUWWQGF-LMKMVOKYSA-N 1 0 358.507 3.111 20 10 FGCDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000186049964 495836826 /nfs/dbraw/zinc/83/68/26/495836826.db2.gz WKOSKWGIGWZZDO-KXBFYZLASA-N 1 0 354.450 3.161 20 10 FGCDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)cc1 ZINC000183380001 495955544 /nfs/dbraw/zinc/95/55/44/495955544.db2.gz ZMKJVXPPYRDNQK-JXFKEZNVSA-N 1 0 356.466 3.125 20 10 FGCDRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(C)c1O ZINC000183513987 496016634 /nfs/dbraw/zinc/01/66/34/496016634.db2.gz FOTBKNQGGKPZSW-UHFFFAOYSA-N 1 0 355.438 3.120 20 10 FGCDRO CC1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000181253395 496329832 /nfs/dbraw/zinc/32/98/32/496329832.db2.gz GEBHMQYWGTYBFJ-YCRREMRBSA-N 1 0 358.482 3.270 20 10 FGCDRO CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000181562602 496447405 /nfs/dbraw/zinc/44/74/05/496447405.db2.gz FSYFYOYPLMSONB-UXPWSPDFSA-N 1 0 362.489 3.080 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1O ZINC000184696217 496496981 /nfs/dbraw/zinc/49/69/81/496496981.db2.gz ZUIPCBNIFUVTAT-UHFFFAOYSA-N 1 0 366.889 3.279 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157716708 496536926 /nfs/dbraw/zinc/53/69/26/496536926.db2.gz KTNDNJPNRSOSDB-XOBRGWDASA-N 1 0 362.420 3.186 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679226 496543039 /nfs/dbraw/zinc/54/30/39/496543039.db2.gz OJNOUCGRGFIABG-IEBWSBKVSA-N 1 0 357.542 3.315 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185049039 496636413 /nfs/dbraw/zinc/63/64/13/496636413.db2.gz AFVLCIFCORSCSK-HNAYVOBHSA-N 1 0 354.450 3.415 20 10 FGCDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(Br)ccc1O ZINC000185052179 496638054 /nfs/dbraw/zinc/63/80/54/496638054.db2.gz XYQLPVYQZCRJTI-LLVKDONJSA-N 1 0 356.260 3.491 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Br)ccc1O ZINC000273378352 496788537 /nfs/dbraw/zinc/78/85/37/496788537.db2.gz HTXNUYCQIILIHQ-LLVKDONJSA-N 1 0 350.260 3.467 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000268824758 496796425 /nfs/dbraw/zinc/79/64/25/496796425.db2.gz MZHKXWCFYURHNV-IBGZPJMESA-N 1 0 361.511 3.365 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(O)c1C ZINC000273530962 496831725 /nfs/dbraw/zinc/83/17/25/496831725.db2.gz WJOJMIWVAZHXHM-INIZCTEOSA-N 1 0 368.543 3.110 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264244540 496850696 /nfs/dbraw/zinc/85/06/96/496850696.db2.gz XTAWXGZRLOFGCQ-IBGZPJMESA-N 1 0 367.493 3.098 20 10 FGCDRO COc1c(O)c(C[N@H+](C)C[C@@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278139929 497019073 /nfs/dbraw/zinc/01/90/73/497019073.db2.gz AQXAALYTQKIDHC-KRWDZBQOSA-N 1 0 358.394 3.055 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000226036746 497080451 /nfs/dbraw/zinc/08/04/51/497080451.db2.gz AUBDARJGLJHNDZ-SNVBAGLBSA-N 1 0 367.209 3.129 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CCCCCC[NH3+] ZINC000236915869 497168115 /nfs/dbraw/zinc/16/81/15/497168115.db2.gz FYAVECFNUJNLTK-UHFFFAOYSA-N 1 0 357.292 3.412 20 10 FGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])CN1CC[NH+](C)CC1 ZINC000192822852 497223358 /nfs/dbraw/zinc/22/33/58/497223358.db2.gz XGBUOLQLIKOISF-OLZOCXBDSA-N 1 0 360.329 3.233 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C ZINC000192910391 497244486 /nfs/dbraw/zinc/24/44/86/497244486.db2.gz YFRMZHVWCCSUFA-UONOGXRCSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271536677 497376051 /nfs/dbraw/zinc/37/60/51/497376051.db2.gz XTPMUZHZYOJCHJ-KUHUBIRLSA-N 1 0 362.420 3.186 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000275753334 497422379 /nfs/dbraw/zinc/42/23/79/497422379.db2.gz DPCNBPMPSUFLAS-HNNXBMFYSA-N 1 0 350.459 3.280 20 10 FGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000271984657 497503686 /nfs/dbraw/zinc/50/36/86/497503686.db2.gz KLBYQPOKCQFSTQ-LJQANCHMSA-N 1 0 355.434 3.071 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(C)cc1O ZINC000279970039 497605412 /nfs/dbraw/zinc/60/54/12/497605412.db2.gz CWSBJKFDEKHKHQ-KRWDZBQOSA-N 1 0 368.543 3.334 20 10 FGCDRO COC1(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOCC1 ZINC000276943953 497695121 /nfs/dbraw/zinc/69/51/21/497695121.db2.gz AVFKTCPTMWCMEY-OAHLLOKOSA-N 1 0 370.440 3.042 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411779 497943555 /nfs/dbraw/zinc/94/35/55/497943555.db2.gz CDBISTPQCSWAND-CABCVRRESA-N 1 0 355.438 3.208 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411781 497943674 /nfs/dbraw/zinc/94/36/74/497943674.db2.gz CDBISTPQCSWAND-HUUCEWRRSA-N 1 0 355.438 3.208 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000364942260 498220259 /nfs/dbraw/zinc/22/02/59/498220259.db2.gz FMWVMIYUMCUKOX-NRFANRHFSA-N 1 0 354.494 3.247 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1O ZINC000365167138 498331383 /nfs/dbraw/zinc/33/13/83/498331383.db2.gz ABISNBMQTBDUKL-IIBYNOLFSA-N 1 0 369.465 3.290 20 10 FGCDRO COc1cc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000301942439 498338926 /nfs/dbraw/zinc/33/89/26/498338926.db2.gz VNLIFRBUJIIHJR-UHFFFAOYSA-N 1 0 371.437 3.324 20 10 FGCDRO CC[NH+]1CCC(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000572707328 506033635 /nfs/dbraw/zinc/03/36/35/506033635.db2.gz JOLGWEPYYQKXJK-UHFFFAOYSA-N 1 0 371.525 3.366 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293852548 498511817 /nfs/dbraw/zinc/51/18/17/498511817.db2.gz UGSPGJKPELJZDN-CYBMUJFWSA-N 1 0 374.416 3.004 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000365613806 498559242 /nfs/dbraw/zinc/55/92/42/498559242.db2.gz CWLFVSPKEPIQPF-AWEZNQCLSA-N 1 0 366.259 3.115 20 10 FGCDRO COc1cc(O)c(CN(Cc2ccco2)C2CC[NH+](C)CC2)cc1OC ZINC000290546881 498593064 /nfs/dbraw/zinc/59/30/64/498593064.db2.gz RNVNBANZWXHSOB-UHFFFAOYSA-N 1 0 360.454 3.099 20 10 FGCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294310245 498652584 /nfs/dbraw/zinc/65/25/84/498652584.db2.gz QMYLGPKNHAQBOI-HNNXBMFYSA-N 1 0 358.457 3.213 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc(Br)ccc1O ZINC000283173962 498806907 /nfs/dbraw/zinc/80/69/07/498806907.db2.gz JJPRDNPGPKXEFZ-YGRLFVJLSA-N 1 0 353.260 3.007 20 10 FGCDRO CS(=O)(=O)CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000294832183 498820438 /nfs/dbraw/zinc/82/04/38/498820438.db2.gz REGHGLHTBDBBIQ-IBGZPJMESA-N 1 0 373.518 3.481 20 10 FGCDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000291155830 498821042 /nfs/dbraw/zinc/82/10/42/498821042.db2.gz BSSWRSJDGFPITD-OAQYLSRUSA-N 1 0 371.433 3.075 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287656123 498827969 /nfs/dbraw/zinc/82/79/69/498827969.db2.gz LMHWKUNMOLFDOI-MSOLQXFVSA-N 1 0 353.938 3.358 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1O ZINC000287706454 498841958 /nfs/dbraw/zinc/84/19/58/498841958.db2.gz XIMVFTJXOXAUJB-GFCCVEGCSA-N 1 0 358.276 3.045 20 10 FGCDRO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366319930 498873330 /nfs/dbraw/zinc/87/33/30/498873330.db2.gz CTYNGYARXPIJEZ-GUYCJALGSA-N 1 0 373.419 3.045 20 10 FGCDRO Cc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)ccc1N(C)C ZINC000295133383 498921358 /nfs/dbraw/zinc/92/13/58/498921358.db2.gz LIVQWOADBYRTED-FQEVSTJZSA-N 1 0 368.525 3.191 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000363835778 499019280 /nfs/dbraw/zinc/01/92/80/499019280.db2.gz XGGLVXGKKGVEJS-GFCCVEGCSA-N 1 0 352.232 3.054 20 10 FGCDRO COc1ccc(O)c([C@@H](C)Nc2ccc(OC3CC[NH+](C)CC3)nc2)c1 ZINC000363862016 499029274 /nfs/dbraw/zinc/02/92/74/499029274.db2.gz YAVBAOUCJPDJRH-CQSZACIVSA-N 1 0 357.454 3.442 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000367319826 499180258 /nfs/dbraw/zinc/18/02/58/499180258.db2.gz XZADNSLAGNIRPR-DOTOQJQBSA-N 1 0 374.485 3.142 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344275 499184892 /nfs/dbraw/zinc/18/48/92/499184892.db2.gz VWRFGAOOPBBYGX-OAHLLOKOSA-N 1 0 358.438 3.026 20 10 FGCDRO COCCC[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370343216 499211666 /nfs/dbraw/zinc/21/16/66/499211666.db2.gz NKWACRZPPGLBEJ-RHSMWYFYSA-N 1 0 368.905 3.189 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(N(C)C)cc1 ZINC000370669599 499242439 /nfs/dbraw/zinc/24/24/39/499242439.db2.gz NSUVKZNPRHLGDY-ICSRJNTNSA-N 1 0 352.482 3.103 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC000368047907 499259207 /nfs/dbraw/zinc/25/92/07/499259207.db2.gz VPMNTOKOFGLNRB-INIZCTEOSA-N 1 0 362.470 3.280 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)cc1 ZINC000371486841 499333371 /nfs/dbraw/zinc/33/33/71/499333371.db2.gz ANXQDIXJWXREDE-YJBOKZPZSA-N 1 0 357.502 3.149 20 10 FGCDRO CCCOc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(O)c1 ZINC000369443888 499403905 /nfs/dbraw/zinc/40/39/05/499403905.db2.gz RSLJLVDRIQTRGP-UHFFFAOYSA-N 1 0 356.470 3.098 20 10 FGCDRO Cc1cn2c(n1)[C@@H](CNC(=O)NCc1c(O)ccc3c1CCCC3)CCC2 ZINC000372244093 499412243 /nfs/dbraw/zinc/41/22/43/499412243.db2.gz UPBYSTZFZRCFOR-MRXNPFEDSA-N 1 0 368.481 3.153 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1O ZINC000372303118 499418577 /nfs/dbraw/zinc/41/85/77/499418577.db2.gz WDRWTSWHCFWJQM-ZDUSSCGKSA-N 1 0 360.841 3.197 20 10 FGCDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000373183325 499455983 /nfs/dbraw/zinc/45/59/83/499455983.db2.gz PNTDEGBZWQZODO-FSNWXROXSA-N 1 0 353.378 3.053 20 10 FGCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000373232986 499458995 /nfs/dbraw/zinc/45/89/95/499458995.db2.gz RTJKMRARPGXDKM-LBPRGKRZSA-N 1 0 350.260 3.268 20 10 FGCDRO Cc1ccc(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)c(O)c1O ZINC000378561348 499532043 /nfs/dbraw/zinc/53/20/43/499532043.db2.gz HWLDGMFEUPCECB-UHFFFAOYSA-N 1 0 352.434 3.205 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2N(C)C)cc1OC ZINC000376484358 499611809 /nfs/dbraw/zinc/61/18/09/499611809.db2.gz MFBGOQPPUXZOND-DYESRHJHSA-N 1 0 356.466 3.117 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000377390149 499686093 /nfs/dbraw/zinc/68/60/93/499686093.db2.gz IQQHKQZHBJWAHM-HNNXBMFYSA-N 1 0 363.502 3.167 20 10 FGCDRO CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000377652058 499715679 /nfs/dbraw/zinc/71/56/79/499715679.db2.gz VTXXWUUNTYQSQW-UHFFFAOYSA-N 1 0 368.477 3.494 20 10 FGCDRO COC[C@@]1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)OCCc2ccccc21 ZINC000377936360 499749429 /nfs/dbraw/zinc/74/94/29/499749429.db2.gz DVBSYEMYQQQQTH-YCRPNKLZSA-N 1 0 357.450 3.166 20 10 FGCDRO C[C@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(N(C)C)cc1 ZINC000378164000 499761608 /nfs/dbraw/zinc/76/16/08/499761608.db2.gz ITZQRLPPAZPUTG-INIZCTEOSA-N 1 0 367.493 3.414 20 10 FGCDRO CSC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435874211 501040496 /nfs/dbraw/zinc/04/04/96/501040496.db2.gz IDKKKZMAHVXQDN-HNNXBMFYSA-N 1 0 359.539 3.276 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458728927 501517151 /nfs/dbraw/zinc/51/71/51/501517151.db2.gz FMAVUPVEEUACHZ-NRFANRHFSA-N 1 0 354.498 3.114 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCSC2)C1 ZINC000468464807 502066985 /nfs/dbraw/zinc/06/69/85/502066985.db2.gz CVHADVUQGBMLJI-MRXNPFEDSA-N 1 0 371.550 3.277 20 10 FGCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000475194517 502096197 /nfs/dbraw/zinc/09/61/97/502096197.db2.gz FQGGEUBBEJEMNZ-HNNXBMFYSA-N 1 0 356.491 3.439 20 10 FGCDRO CCC[NH+]1CCC(CNC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471766231 502130410 /nfs/dbraw/zinc/13/04/10/502130410.db2.gz CMNGSHQMVMBGIC-UHFFFAOYSA-N 1 0 356.514 3.408 20 10 FGCDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472223662 502276362 /nfs/dbraw/zinc/27/63/62/502276362.db2.gz UOUKWJIVAKVVQL-DLBZAZTESA-N 1 0 354.498 3.255 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH+](CC4CC4)CC3)ccc21 ZINC000486978469 502321220 /nfs/dbraw/zinc/32/12/20/502321220.db2.gz TWLHFKANURSOSY-UHFFFAOYSA-N 1 0 369.509 3.072 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000484695442 502711539 /nfs/dbraw/zinc/71/15/39/502711539.db2.gz NEHISOHOOOWQLW-PZJWPPBQSA-N 1 0 369.509 3.261 20 10 FGCDRO CC[NH+]1CCC(N(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490431969 503172815 /nfs/dbraw/zinc/17/28/15/503172815.db2.gz LFZDUFSEOHLYQJ-UHFFFAOYSA-N 1 0 371.525 3.461 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735873189 598715723 /nfs/dbraw/zinc/71/57/23/598715723.db2.gz BGLOTLDYVMKLDN-UHFFFAOYSA-N 1 0 368.460 3.482 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Br)ccc1O ZINC000037781992 695755410 /nfs/dbraw/zinc/75/54/10/695755410.db2.gz NHDMNELAUURJKC-FZMZJTMJSA-N 1 0 355.276 3.206 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCS(=O)(=O)CC)cc1 ZINC000069173309 695947761 /nfs/dbraw/zinc/94/77/61/695947761.db2.gz VFTYOSMQWVBMFX-UHFFFAOYSA-N 1 0 360.523 3.237 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCOc1ccccc1C(F)(F)F)OCO2 ZINC000106470135 700508516 /nfs/dbraw/zinc/50/85/16/700508516.db2.gz XRYXNODCDKENGN-UHFFFAOYSA-N 1 0 355.312 3.308 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000113329335 700570900 /nfs/dbraw/zinc/57/09/00/700570900.db2.gz WQNSUPBWFAJSNA-GOSISDBHSA-N 1 0 364.848 3.348 20 10 FGCDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000119057944 700618969 /nfs/dbraw/zinc/61/89/69/700618969.db2.gz JRHIKPJQDISNJA-RDJZCZTQSA-N 1 0 368.905 3.023 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000125147678 700731130 /nfs/dbraw/zinc/73/11/30/700731130.db2.gz MXCLPVXJFAGWMM-SUMWQHHRSA-N 1 0 350.846 3.154 20 10 FGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134104503 704812492 /nfs/dbraw/zinc/81/24/92/704812492.db2.gz CEWXZBJAMXCXAF-UHFFFAOYSA-N 1 0 359.297 3.243 20 10 FGCDRO O=C(C[C@@H]1CCCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262163 704818398 /nfs/dbraw/zinc/81/83/98/704818398.db2.gz JCAIDQVUEAVHOD-SJORKVTESA-N 1 0 366.889 3.085 20 10 FGCDRO CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(C)CC3)c2C)c1 ZINC000151660510 704932208 /nfs/dbraw/zinc/93/22/08/704932208.db2.gz SBWHYKKCYAVVTF-UHFFFAOYSA-N 1 0 357.523 3.246 20 10 FGCDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)C ZINC000163406300 705313823 /nfs/dbraw/zinc/31/38/23/705313823.db2.gz QWBXMIAJZVYVRJ-KRWDZBQOSA-N 1 0 360.420 3.303 20 10 FGCDRO COC[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172922717 705436327 /nfs/dbraw/zinc/43/63/27/705436327.db2.gz NVGNIGVTSJKZFN-AWEZNQCLSA-N 1 0 366.255 3.155 20 10 FGCDRO Cc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(O)c1O ZINC000177677399 705634861 /nfs/dbraw/zinc/63/48/61/705634861.db2.gz CNPGVRRTKIVECE-UHFFFAOYSA-N 1 0 360.479 3.110 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(C)cc2)c1 ZINC000182359409 705836713 /nfs/dbraw/zinc/83/67/13/705836713.db2.gz YSMXKRGIJPSCAL-HNNXBMFYSA-N 1 0 363.479 3.224 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)ccc1O ZINC000192700395 712871279 /nfs/dbraw/zinc/87/12/79/712871279.db2.gz BFRPIRQVFCQJIN-HNNXBMFYSA-N 1 0 363.255 3.495 20 10 FGCDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc(O)c1O ZINC000192998481 712880053 /nfs/dbraw/zinc/88/00/53/712880053.db2.gz BRHZPGCWKIPOMZ-UHFFFAOYSA-N 1 0 358.463 3.207 20 10 FGCDRO COCCO[C@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000193416407 712890403 /nfs/dbraw/zinc/89/04/03/712890403.db2.gz QSSSDADZDJLMCS-INIZCTEOSA-N 1 0 351.487 3.326 20 10 FGCDRO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccccc1O ZINC000237675662 713595908 /nfs/dbraw/zinc/59/59/08/713595908.db2.gz COMRVAQXHVJMAQ-HIFRSBDPSA-N 1 0 350.459 3.242 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000246326962 713622013 /nfs/dbraw/zinc/62/20/13/713622013.db2.gz FTJRUEREJWOYPP-BBRMVZONSA-N 1 0 357.420 3.347 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@@H](C)C1 ZINC000248493076 713651786 /nfs/dbraw/zinc/65/17/86/713651786.db2.gz JUDBJQKFGAVJOQ-BXWFABGCSA-N 1 0 350.503 3.188 20 10 FGCDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1)N1CCCC1 ZINC000373863837 713878362 /nfs/dbraw/zinc/87/83/62/713878362.db2.gz ARPLDKAYLLSBIP-DOMZBBRYSA-N 1 0 367.287 3.035 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000380975866 713977567 /nfs/dbraw/zinc/97/75/67/713977567.db2.gz BDORCTHDTZSGCV-ZBFHGGJFSA-N 1 0 350.459 3.069 20 10 FGCDRO CCCNC(=O)C1([NH2+]Cc2cc(Br)ccc2O)CCCCC1 ZINC000779169650 724397697 /nfs/dbraw/zinc/39/76/97/724397697.db2.gz RHKKTTTZYIWJKJ-UHFFFAOYSA-N 1 0 369.303 3.473 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000779528952 724417375 /nfs/dbraw/zinc/41/73/75/724417375.db2.gz BPYOCDJBSVUEHU-WJXUGBSRSA-N 1 0 360.841 3.184 20 10 FGCDRO COc1cccc(O)c1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000769528420 723689045 /nfs/dbraw/zinc/68/90/45/723689045.db2.gz QBFJCQAQBICKKL-OAHLLOKOSA-N 1 0 366.255 3.329 20 10 FGCDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000782777505 724699875 /nfs/dbraw/zinc/69/98/75/724699875.db2.gz KXYBGMXIFYQJMZ-KXBFYZLASA-N 1 0 350.478 3.254 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000731450260 722475462 /nfs/dbraw/zinc/47/54/62/722475462.db2.gz WDJOVSUTHNIXEW-KRWDZBQOSA-N 1 0 354.372 3.474 20 10 FGCDRO O=C1[C@@H]([N@H+](Cc2ccccc2O)C2CCCC2)CCN1CC(F)(F)F ZINC000732204544 722482357 /nfs/dbraw/zinc/48/23/57/722482357.db2.gz MNDSVDYZCGWKJB-HNNXBMFYSA-N 1 0 356.388 3.300 20 10 FGCDRO CCC1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CCOCC1 ZINC000744450127 722577193 /nfs/dbraw/zinc/57/71/93/722577193.db2.gz MWMMYRJBBPEXNJ-UHFFFAOYSA-N 1 0 358.276 3.460 20 10 FGCDRO Oc1ccccc1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000748158307 722677170 /nfs/dbraw/zinc/67/71/70/722677170.db2.gz PXHOAMCRAVFPMR-UHFFFAOYSA-N 1 0 355.507 3.021 20 10 FGCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCC1 ZINC000754105926 722927713 /nfs/dbraw/zinc/92/77/13/722927713.db2.gz QMJJEPDIEWUZBU-LLVKDONJSA-N 1 0 355.276 3.112 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756434725 722964547 /nfs/dbraw/zinc/96/45/47/722964547.db2.gz OXBNQXMZAGHLIJ-WBMJQRKESA-N 1 0 363.454 3.414 20 10 FGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1O ZINC000756601791 722967530 /nfs/dbraw/zinc/96/75/30/722967530.db2.gz BADPGFIOTVPZFW-QRWLVFNGSA-N 1 0 360.885 3.333 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000757906983 722981070 /nfs/dbraw/zinc/98/10/70/722981070.db2.gz NOJICHQBBDTIJY-AWEZNQCLSA-N 1 0 367.276 3.441 20 10 FGCDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1 ZINC000759387139 723003785 /nfs/dbraw/zinc/00/37/85/723003785.db2.gz OBBAOCGRIJOQHA-TUPIDYKKSA-N 1 0 357.841 3.104 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000789763942 723071787 /nfs/dbraw/zinc/07/17/87/723071787.db2.gz AWSIYSCWCWBNRF-OKILXGFUSA-N 1 0 371.319 3.004 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])c1nnnn1C1CC1 ZINC000790754668 723174287 /nfs/dbraw/zinc/17/42/87/723174287.db2.gz JGCSBHGWZBIMTD-HTQZYQBOSA-N 1 0 370.226 3.027 20 10 FGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccsc3Cl)cc2)C1 ZINC000790954780 723198716 /nfs/dbraw/zinc/19/87/16/723198716.db2.gz YFIMPRJLTUFXEB-HNNXBMFYSA-N 1 0 363.914 3.393 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000791004480 723204346 /nfs/dbraw/zinc/20/43/46/723204346.db2.gz JYFNXEZDSWZXSH-AWEZNQCLSA-N 1 0 351.393 3.010 20 10 FGCDRO CN(C)c1ccc(C[N@H+](CCO)Cc2cccnc2)c(C(F)(F)F)c1 ZINC000792812855 723370385 /nfs/dbraw/zinc/37/03/85/723370385.db2.gz OHZOXQDULFHPPI-UHFFFAOYSA-N 1 0 353.388 3.161 20 10 FGCDRO CCNC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCC1 ZINC000793187961 723408795 /nfs/dbraw/zinc/40/87/95/723408795.db2.gz VKMVRIWVQJINKY-UHFFFAOYSA-N 1 0 357.420 3.167 20 10 FGCDRO Cc1ccc(C[N@H+](CCO)Cc2cc(Br)cc(C)c2O)o1 ZINC000793364698 723430455 /nfs/dbraw/zinc/43/04/55/723430455.db2.gz FWHWVKJSCIWBMB-UHFFFAOYSA-N 1 0 354.244 3.359 20 10 FGCDRO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765073477 723475948 /nfs/dbraw/zinc/47/59/48/723475948.db2.gz KFWLFGHUOLPYLO-HZPDHXFCSA-N 1 0 351.922 3.169 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCN1C ZINC000765991640 723550399 /nfs/dbraw/zinc/55/03/99/723550399.db2.gz DNPUMXTURQIDRH-JLSDUUJJSA-N 1 0 351.922 3.082 20 10 FGCDRO C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384017 723571299 /nfs/dbraw/zinc/57/12/99/723571299.db2.gz VKRQBSLQUXUWIG-JKSUJKDBSA-N 1 0 351.922 3.169 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000796032109 723618221 /nfs/dbraw/zinc/61/82/21/723618221.db2.gz NWCBSXYLYMOXSY-DYVFJYSZSA-N 1 0 370.287 3.233 20 10 FGCDRO Cc1ccc(O)c(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000796469180 723638957 /nfs/dbraw/zinc/63/89/57/723638957.db2.gz HEGHSZXTXYUUEI-KRWDZBQOSA-N 1 0 350.256 3.460 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)ccc1OC ZINC000796526408 723641546 /nfs/dbraw/zinc/64/15/46/723641546.db2.gz MULHRRMGXXLIKK-RUZDIDTESA-N 1 0 361.507 3.400 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c1O ZINC000796531907 723641935 /nfs/dbraw/zinc/64/19/35/723641935.db2.gz MWJYZTKKMQNIQV-QGZVFWFLSA-N 1 0 360.841 3.297 20 10 FGCDRO C[C@@H]1SCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768445197 723657720 /nfs/dbraw/zinc/65/77/20/723657720.db2.gz GKWFBARQYRDRLQ-CYFNAFFESA-N 1 0 357.475 3.497 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)ccc1O ZINC000774398625 723888815 /nfs/dbraw/zinc/88/88/15/723888815.db2.gz YMPRCRNRMUDWNC-ZYHUDNBSSA-N 1 0 357.347 3.450 20 10 FGCDRO CCOc1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c(O)c1 ZINC000798504391 723938743 /nfs/dbraw/zinc/93/87/43/723938743.db2.gz GGWUNTWUAWNAIU-UHFFFAOYSA-N 1 0 356.344 3.417 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775146793 723964164 /nfs/dbraw/zinc/96/41/64/723964164.db2.gz IKBKIEXUFNKQIM-BXUZGUMPSA-N 1 0 370.877 3.399 20 10 FGCDRO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775192609 723970164 /nfs/dbraw/zinc/97/01/64/723970164.db2.gz NLLOAUYPPKGMFZ-IBGZPJMESA-N 1 0 359.491 3.458 20 10 FGCDRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1O ZINC000798935005 723977056 /nfs/dbraw/zinc/97/70/56/723977056.db2.gz JAHIRKMDJUFAQO-CYBMUJFWSA-N 1 0 368.886 3.065 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)c1ccc(F)cn1 ZINC000799303555 724004458 /nfs/dbraw/zinc/00/44/58/724004458.db2.gz JUKOOMFANZMHRP-MRXNPFEDSA-N 1 0 369.234 3.244 20 10 FGCDRO COc1cccc(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000775968248 724090795 /nfs/dbraw/zinc/09/07/95/724090795.db2.gz IDXUGRCTGNZOJP-KGLIPLIRSA-N 1 0 350.459 3.231 20 10 FGCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000776810593 724184954 /nfs/dbraw/zinc/18/49/54/724184954.db2.gz ZNIAYLYCYTXPPF-GDBMZVCRSA-N 1 0 351.466 3.238 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OCC)cc2O)CC1 ZINC000778197235 724309910 /nfs/dbraw/zinc/30/99/10/724309910.db2.gz COEQBEJSCWARFV-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCCc1ccsc13)OCO2 ZINC000778576973 724346581 /nfs/dbraw/zinc/34/65/81/724346581.db2.gz CTWRUSUMPBRNQD-UHFFFAOYSA-N 1 0 359.447 3.246 20 10 FGCDRO FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CCO1 ZINC000806130525 725116959 /nfs/dbraw/zinc/11/69/59/725116959.db2.gz ACPPSFPZAMRZKI-GOEBONIOSA-N 1 0 360.445 3.439 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000809665131 725257492 /nfs/dbraw/zinc/25/74/92/725257492.db2.gz PJSFBYXFUXPYFF-LLVKDONJSA-N 1 0 358.276 3.146 20 10 FGCDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809708968 725260950 /nfs/dbraw/zinc/26/09/50/725260950.db2.gz LZBPUYFIOKQUOG-AWEZNQCLSA-N 1 0 371.275 3.207 20 10 FGCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000809723439 725262933 /nfs/dbraw/zinc/26/29/33/725262933.db2.gz WODPSZQUFADXDI-HNNXBMFYSA-N 1 0 370.877 3.497 20 10 FGCDRO COc1cccc(C[NH+]2CCN(c3nccc4sccc43)CC2)c1O ZINC000809787195 725268813 /nfs/dbraw/zinc/26/88/13/725268813.db2.gz VVRNTXJHLIPROH-UHFFFAOYSA-N 1 0 355.463 3.333 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1O ZINC000814171039 726944269 /nfs/dbraw/zinc/94/42/69/726944269.db2.gz IPTDTSWHVPFPHZ-MRXNPFEDSA-N 1 0 372.303 3.440 20 10 FGCDRO C[NH+]1CCN(c2ccc(/C=C3/SC(=S)N(C4CCC4)C3=O)cc2)CC1 ZINC000814186001 726945823 /nfs/dbraw/zinc/94/58/23/726945823.db2.gz TZUFKLDAWOJBJY-GHRIWEEISA-N 1 0 373.547 3.192 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c1 ZINC000815126117 727042067 /nfs/dbraw/zinc/04/20/67/727042067.db2.gz HDGCWWFIISKOJX-UHFFFAOYSA-N 1 0 362.857 3.181 20 10 FGCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000817365720 727244274 /nfs/dbraw/zinc/24/42/74/727244274.db2.gz NNFZOVNHMNYRKG-CQSZACIVSA-N 1 0 363.255 3.018 20 10 FGCDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1=O ZINC000817589893 727268957 /nfs/dbraw/zinc/26/89/57/727268957.db2.gz RACBOLUCSFQKDP-NWDGAFQWSA-N 1 0 355.276 3.064 20 10 FGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Br)nc1 ZINC000817942084 727288828 /nfs/dbraw/zinc/28/88/28/727288828.db2.gz MDRRKEPELLCUSW-MLGOLLRUSA-N 1 0 363.303 3.261 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Br)c(F)cc1[O-] ZINC000817987844 727290695 /nfs/dbraw/zinc/29/06/95/727290695.db2.gz YUBSVTJOJBIEMO-FIQHERPVSA-N 1 0 357.267 3.333 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccc(Cl)cc1 ZINC000818953860 727329761 /nfs/dbraw/zinc/32/97/61/727329761.db2.gz NVNDJLLEFHZQNH-LJQANCHMSA-N 1 0 360.885 3.470 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1c(F)cccc1F ZINC000818963813 727331311 /nfs/dbraw/zinc/33/13/11/727331311.db2.gz AQESAYPEBRTUEP-GOSISDBHSA-N 1 0 364.461 3.341 20 10 FGCDRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000819078449 727345264 /nfs/dbraw/zinc/34/52/64/727345264.db2.gz VMXNWXYRFMTILV-SFHVURJKSA-N 1 0 360.523 3.312 20 10 FGCDRO Clc1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nn1 ZINC000819925800 728954285 /nfs/dbraw/zinc/95/42/85/728954285.db2.gz RBHUDBPRJKACJO-UHFFFAOYSA-N 1 0 357.889 3.274 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@@H]1SC ZINC000822494713 729181745 /nfs/dbraw/zinc/18/17/45/729181745.db2.gz UUYQENYIKSAUKY-FDPIWHGQSA-N 1 0 350.528 3.020 20 10 FGCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000824593555 729349356 /nfs/dbraw/zinc/34/93/56/729349356.db2.gz PXRWYXXKZMPOBC-GFCCVEGCSA-N 1 0 352.232 3.226 20 10 FGCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650317 729353023 /nfs/dbraw/zinc/35/30/23/729353023.db2.gz OEUDIEGVQFVZEM-ZDUSSCGKSA-N 1 0 369.303 3.139 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000825338664 729379464 /nfs/dbraw/zinc/37/94/64/729379464.db2.gz STOZXKXNGYYJQU-KRWDZBQOSA-N 1 0 366.255 3.377 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000825353613 729380114 /nfs/dbraw/zinc/38/01/14/729380114.db2.gz OIJDDLFBBFLVDT-DZGCQCFKSA-N 1 0 358.301 3.299 20 10 FGCDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(Br)cc3O)CC2)n1 ZINC000825479275 729384691 /nfs/dbraw/zinc/38/46/91/729384691.db2.gz LJAWSXHEHOPRQO-UHFFFAOYSA-N 1 0 366.259 3.400 20 10 FGCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000827733704 729433908 /nfs/dbraw/zinc/43/39/08/729433908.db2.gz LZGYHVSUMFOHER-YVEFUNNKSA-N 1 0 350.256 3.409 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000827837174 729435708 /nfs/dbraw/zinc/43/57/08/729435708.db2.gz AYUFKDCFELRGTM-CYBMUJFWSA-N 1 0 361.747 3.295 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C1(CO)CC1 ZINC000827898984 729436764 /nfs/dbraw/zinc/43/67/64/729436764.db2.gz XSCFBOZKSSBOEI-UHFFFAOYSA-N 1 0 353.304 3.396 20 10 FGCDRO Cc1nc(C(C)(C)C)sc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280752 729701790 /nfs/dbraw/zinc/70/17/90/729701790.db2.gz QQMAVSDBKKHRAX-OAHLLOKOSA-N 1 0 360.527 3.245 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])c(C)n1-c1ccccc1Br ZINC000834453394 729804670 /nfs/dbraw/zinc/80/46/70/729804670.db2.gz RDPZCZBVYQJXBH-LLVKDONJSA-N 1 0 364.287 3.324 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834808261 729835935 /nfs/dbraw/zinc/83/59/35/729835935.db2.gz YRDBJVSMUVMDJV-SOUVJXGZSA-N 1 0 350.434 3.317 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000834827533 729837178 /nfs/dbraw/zinc/83/71/78/729837178.db2.gz KIWGCVJOWXJUGB-WBVHZDCISA-N 1 0 358.507 3.364 20 10 FGCDRO Cc1cnc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)cn1 ZINC000834909384 729845441 /nfs/dbraw/zinc/84/54/41/729845441.db2.gz RADCZBGKNFQBQO-GFCCVEGCSA-N 1 0 350.260 3.455 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000834915112 729846003 /nfs/dbraw/zinc/84/60/03/729846003.db2.gz PWBCHZZMOSFFTR-WHOFXGATSA-N 1 0 367.287 3.267 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000837307082 730016198 /nfs/dbraw/zinc/01/61/98/730016198.db2.gz YEBQUWTZVPXOOH-HOTGVXAUSA-N 1 0 357.885 3.429 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000837306318 730016213 /nfs/dbraw/zinc/01/62/13/730016213.db2.gz CMNYOMDIWIPVGU-HZPDHXFCSA-N 1 0 357.885 3.429 20 10 FGCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840874002 730186340 /nfs/dbraw/zinc/18/63/40/730186340.db2.gz FNAKNVLTXVRWAU-QGZVFWFLSA-N 1 0 351.830 3.194 20 10 FGCDRO O=S(=O)(CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000840881674 730187524 /nfs/dbraw/zinc/18/75/24/730187524.db2.gz FBYFJMLOVZCLCR-LJQANCHMSA-N 1 0 359.491 3.233 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCCN2C(=O)COc3ccccc32)c(Cl)c1 ZINC000840899351 730189258 /nfs/dbraw/zinc/18/92/58/730189258.db2.gz KVJIGWFTAHOHDW-UHFFFAOYSA-N 1 0 360.841 3.259 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)cc1O ZINC000841743847 730269762 /nfs/dbraw/zinc/26/97/62/730269762.db2.gz CKUOORGDBPKOGQ-LBPRGKRZSA-N 1 0 353.871 3.441 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1O ZINC000841758545 730271293 /nfs/dbraw/zinc/27/12/93/730271293.db2.gz SSARJWNHFAIKQZ-VXGBXAGGSA-N 1 0 351.855 3.267 20 10 FGCDRO [NH3+]C1(CNC(=O)NCc2cccc(Br)c2O)CCCCCC1 ZINC000841917000 730284498 /nfs/dbraw/zinc/28/44/98/730284498.db2.gz ZOJFADNOGRXNLS-UHFFFAOYSA-N 1 0 370.291 3.006 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843044776 730573503 /nfs/dbraw/zinc/57/35/03/730573503.db2.gz IYFYHTARGZTXTJ-IUODEOHRSA-N 1 0 369.303 3.127 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000843350682 730609635 /nfs/dbraw/zinc/60/96/35/730609635.db2.gz WNIVUJGSUPCJKS-UHFFFAOYSA-N 1 0 354.841 3.400 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2O)[C@@H]1SC ZINC000843430061 730620265 /nfs/dbraw/zinc/62/02/65/730620265.db2.gz NJMGXUSQKILIGE-NFAWXSAZSA-N 1 0 360.317 3.462 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000843487315 730624393 /nfs/dbraw/zinc/62/43/93/730624393.db2.gz OIHMMCIDJYGCTR-NEPJUHHUSA-N 1 0 364.287 3.322 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccc4c3CCC4)SC2=S)CC1 ZINC000844267761 730696409 /nfs/dbraw/zinc/69/64/09/730696409.db2.gz BIEJRJWKPHPNJU-SFQUDFHCSA-N 1 0 358.532 3.471 20 10 FGCDRO CC1CC[NH+](CCCCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844882863 730784857 /nfs/dbraw/zinc/78/48/57/730784857.db2.gz TXZALBFGYDCWJE-UHFFFAOYSA-N 1 0 353.894 3.357 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CCCC2)c1O ZINC000848545231 731178954 /nfs/dbraw/zinc/17/89/54/731178954.db2.gz CBSXOJWZXASXGE-NSHDSACASA-N 1 0 358.276 3.367 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2ncccc2OC)c1O ZINC000848553524 731180620 /nfs/dbraw/zinc/18/06/20/731180620.db2.gz USUKWJPXOXGKOR-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO [NH3+]C[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C(F)(F)F ZINC000848596664 731186631 /nfs/dbraw/zinc/18/66/31/731186631.db2.gz ZVSDOWGVGQRXQF-HNNXBMFYSA-N 1 0 359.392 3.126 20 10 FGCDRO COc1cccc(NC(=[NH2+])NCc2cc(Br)ccc2O)c1 ZINC000849052426 731224679 /nfs/dbraw/zinc/22/46/79/731224679.db2.gz WBWIHWTXIQMQIP-UHFFFAOYSA-N 1 0 350.216 3.300 20 10 FGCDRO COc1cc(C[NH2+]CCCOC[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000850013950 731309218 /nfs/dbraw/zinc/30/92/18/731309218.db2.gz DKFIWDBSANKFBD-INIZCTEOSA-N 1 0 351.487 3.374 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3occc3Br)C2)cc1 ZINC000850347842 731345643 /nfs/dbraw/zinc/34/56/43/731345643.db2.gz YQFIBTNUCWZKTE-LBPRGKRZSA-N 1 0 351.244 3.419 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C1CCOCC1 ZINC000850494473 731364078 /nfs/dbraw/zinc/36/40/78/731364078.db2.gz RYBDXKJUPKUZLF-NHYWBVRUSA-N 1 0 358.276 3.247 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850500218 731365256 /nfs/dbraw/zinc/36/52/56/731365256.db2.gz BQWDDOBZNORIOY-UZAWLKMVSA-N 1 0 368.518 3.003 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(Br)ccc1O ZINC000850503644 731366070 /nfs/dbraw/zinc/36/60/70/731366070.db2.gz YGJIDLSYZUBSQU-SPQIJUHKSA-N 1 0 360.317 3.495 20 10 FGCDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC000850549668 731372071 /nfs/dbraw/zinc/37/20/71/731372071.db2.gz JRJKUPQJFKHJKW-OAHLLOKOSA-N 1 0 360.889 3.168 20 10 FGCDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)s1 ZINC000852773832 731633762 /nfs/dbraw/zinc/63/37/62/731633762.db2.gz GWFHTCXMLMLKIK-HNNXBMFYSA-N 1 0 359.495 3.375 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000858119036 732182627 /nfs/dbraw/zinc/18/26/27/732182627.db2.gz JXGPOTGYXQPDRS-UHFFFAOYSA-N 1 0 367.209 3.271 20 10 FGCDRO Cn1nc2c(c1C[NH2+]Cc1c(O)cccc1Br)CCCC2 ZINC000858166304 732188315 /nfs/dbraw/zinc/18/83/15/732188315.db2.gz HKBNLYDEIQWEDE-UHFFFAOYSA-N 1 0 350.260 3.057 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000858249334 732196888 /nfs/dbraw/zinc/19/68/88/732196888.db2.gz OMDGIHCQVMUADL-UHFFFAOYSA-N 1 0 367.243 3.247 20 10 FGCDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858546265 732226089 /nfs/dbraw/zinc/22/60/89/732226089.db2.gz QSINWPRIYUSZHR-ZBQZNYHESA-N 1 0 350.890 3.395 20 10 FGCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237906 732794448 /nfs/dbraw/zinc/79/44/48/732794448.db2.gz YPMZJHNFYJDYEI-CYBMUJFWSA-N 1 0 369.303 3.283 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@]3(C)CCCS3)CC2)cc1 ZINC000862263213 732801608 /nfs/dbraw/zinc/80/16/08/732801608.db2.gz RUGLWBAOHGHNAD-FQEVSTJZSA-N 1 0 363.571 3.083 20 10 FGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1F ZINC000862395294 732823683 /nfs/dbraw/zinc/82/36/83/732823683.db2.gz ZIDQHVHHBJMESE-OAHLLOKOSA-N 1 0 351.441 3.008 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c(Cl)c1 ZINC000865816093 733274839 /nfs/dbraw/zinc/27/48/39/733274839.db2.gz ZDGZUECDMLSSGD-UHFFFAOYSA-N 1 0 359.857 3.169 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000866535773 733362654 /nfs/dbraw/zinc/36/26/54/733362654.db2.gz HSNBKVFXWFSJAQ-CHWSQXEVSA-N 1 0 351.443 3.389 20 10 FGCDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000872118464 735591593 /nfs/dbraw/zinc/59/15/93/735591593.db2.gz ZZEDSTRTHDGPGC-GJZGRUSLSA-N 1 0 366.889 3.171 20 10 FGCDRO Cc1cccc(O)c1C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000876642352 736125312 /nfs/dbraw/zinc/12/53/12/736125312.db2.gz YAPFBOMNZMOSPX-UHFFFAOYSA-N 1 0 363.479 3.005 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)c1oc(C[NH3+])cc1C ZINC000876698827 736133249 /nfs/dbraw/zinc/13/32/49/736133249.db2.gz MXNJYDIZPBAYCF-UHFFFAOYSA-N 1 0 367.243 3.177 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876698635 736133313 /nfs/dbraw/zinc/13/33/13/736133313.db2.gz KXRZPLYSDHFJBQ-UJZCVKTISA-N 1 0 367.287 3.059 20 10 FGCDRO O=c1c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cccn1C(F)F ZINC000876942782 736165933 /nfs/dbraw/zinc/16/59/33/736165933.db2.gz FJGSBTDFFIRKIK-UHFFFAOYSA-N 1 0 365.449 3.086 20 10 FGCDRO CCOC1CC(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000876945341 736166530 /nfs/dbraw/zinc/16/65/30/736166530.db2.gz ANUPFSPKLYRXEN-BXXOZEPKSA-N 1 0 350.478 3.344 20 10 FGCDRO Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)sn1 ZINC000877121544 736189627 /nfs/dbraw/zinc/18/96/27/736189627.db2.gz SFQZIFBUHJHZFZ-UHFFFAOYSA-N 1 0 356.539 3.273 20 10 FGCDRO CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853487 737390412 /nfs/dbraw/zinc/39/04/12/737390412.db2.gz YBAFGAKLHGZDMN-HNNXBMFYSA-N 1 0 357.420 3.033 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccsc3Cl)cc2)CC1 ZINC000886325030 739244017 /nfs/dbraw/zinc/24/40/17/739244017.db2.gz QREYYZCDSBXKRL-UHFFFAOYSA-N 1 0 363.914 3.393 20 10 FGCDRO CN(C)c1ccc(-c2nc(-c3cn([C@H]4CCC[NH2+]C4)nn3)cs2)cc1 ZINC000887378500 739363309 /nfs/dbraw/zinc/36/33/09/739363309.db2.gz HRNZVXNZURSNCK-HNNXBMFYSA-N 1 0 354.483 3.059 20 10 FGCDRO C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894107768 742240353 /nfs/dbraw/zinc/24/03/53/742240353.db2.gz QUGFUWJQVQOBOJ-UKRRQHHQSA-N 1 0 365.905 3.498 20 10 FGCDRO COc1cc(C)cc(C[NH2+][C@H](CO)c2cccc(Br)c2)c1O ZINC000894330800 742268925 /nfs/dbraw/zinc/26/89/25/742268925.db2.gz VALWJENDXWDKDN-OAHLLOKOSA-N 1 0 366.255 3.295 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1O ZINC000897539182 742686871 /nfs/dbraw/zinc/68/68/71/742686871.db2.gz QYSBXHPEMKMKRD-FZMZJTMJSA-N 1 0 358.276 3.194 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000903172979 743816562 /nfs/dbraw/zinc/81/65/62/743816562.db2.gz HTRMVPRZOBMUFW-GOSISDBHSA-N 1 0 362.495 3.025 20 10 FGCDRO COc1ccc(Cl)c(NC(=S)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000905617743 744036977 /nfs/dbraw/zinc/03/69/77/744036977.db2.gz JBZRIMHYWFVZEE-UHFFFAOYSA-N 1 0 350.875 3.296 20 10 FGCDRO CN(C)c1ccc(C[N@H+](CC(=O)N(C)Cc2cccs2)C2CC2)cc1 ZINC000917073793 758173588 /nfs/dbraw/zinc/17/35/88/758173588.db2.gz AVVJNSPXIGFHQJ-UHFFFAOYSA-N 1 0 357.523 3.437 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922688241 758980906 /nfs/dbraw/zinc/98/09/06/758980906.db2.gz FJPZNMXIFBEPAK-UHFFFAOYSA-N 1 0 364.486 3.018 20 10 FGCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)C2)n1 ZINC000922863082 759017781 /nfs/dbraw/zinc/01/77/81/759017781.db2.gz XQLNSWPGHVPTBU-DGCLKSJQSA-N 1 0 350.413 3.402 20 10 FGCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779040837 724383537 /nfs/dbraw/zinc/38/35/37/724383537.db2.gz MAIBTZQGIFLHPO-MPKXVKKWSA-N 1 0 355.276 3.028 20 10 FGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779049478 724384284 /nfs/dbraw/zinc/38/42/84/724384284.db2.gz HRNPSCXFKQXGFN-KCPJHIHWSA-N 1 0 358.276 3.308 20 10 FGCDRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000048773593 493844750 /nfs/dbraw/zinc/84/47/50/493844750.db2.gz UMTXUVOBNXVCIW-WCWDXBQESA-N 1 0 365.437 3.251 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)ccc1OC ZINC000051188619 493952985 /nfs/dbraw/zinc/95/29/85/493952985.db2.gz GSRCQYPIFJINMC-FQEVSTJZSA-N 1 0 368.477 3.122 20 10 FGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000082991935 493985493 /nfs/dbraw/zinc/98/54/93/493985493.db2.gz NZJMBNMEPXTKFW-UHFFFAOYSA-N 1 0 373.522 3.092 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090055577 494434174 /nfs/dbraw/zinc/43/41/74/494434174.db2.gz SJHIDTZYUVZVCZ-QRWLVFNGSA-N 1 0 350.478 3.254 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000079438205 494455123 /nfs/dbraw/zinc/45/51/23/494455123.db2.gz CEZNTZHZBRYFBS-CQSZACIVSA-N 1 0 368.412 3.156 20 10 FGCDRO COc1ccc(N2CCC[N@H+](Cc3ccccc3NC(C)=O)CC2)cc1 ZINC000092380832 494610035 /nfs/dbraw/zinc/61/00/35/494610035.db2.gz FCCFCVWTWXRKQB-UHFFFAOYSA-N 1 0 353.466 3.366 20 10 FGCDRO Cc1ncsc1C(=O)N1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000057104788 494642960 /nfs/dbraw/zinc/64/29/60/494642960.db2.gz RTMFNFSOTUHAOE-UHFFFAOYSA-N 1 0 359.495 3.122 20 10 FGCDRO COCc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)o1 ZINC000130307258 495371386 /nfs/dbraw/zinc/37/13/86/495371386.db2.gz KINLVURLVQRDII-RIYZIHGNSA-N 1 0 368.524 3.215 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1O ZINC000179569540 495643855 /nfs/dbraw/zinc/64/38/55/495643855.db2.gz ZBXUXZYPJFAVAH-IBGZPJMESA-N 1 0 370.424 3.187 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2ccccc2c1O ZINC000186082194 495848652 /nfs/dbraw/zinc/84/86/52/495848652.db2.gz FYYKQPHWEAKAFA-KSSFIOAISA-N 1 0 364.449 3.125 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000160520241 495981715 /nfs/dbraw/zinc/98/17/15/495981715.db2.gz AIYJJWXYCNGYHM-FUHWJXTLSA-N 1 0 365.477 3.300 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000172112352 496170197 /nfs/dbraw/zinc/17/01/97/496170197.db2.gz QKNVGTAQMOIKCI-UHFFFAOYSA-N 1 0 374.506 3.165 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000172115782 496172616 /nfs/dbraw/zinc/17/26/16/496172616.db2.gz RZDSXCNEZSIKLB-IRXDYDNUSA-N 1 0 368.477 3.240 20 10 FGCDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175227502 496299569 /nfs/dbraw/zinc/29/95/69/496299569.db2.gz OGMITSXRWONLKQ-LJQANCHMSA-N 1 0 356.514 3.079 20 10 FGCDRO CC[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000157424423 496475273 /nfs/dbraw/zinc/47/52/73/496475273.db2.gz JCIMZCOKTJDUJC-RBUKOAKNSA-N 1 0 353.466 3.405 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178656380 496530434 /nfs/dbraw/zinc/53/04/34/496530434.db2.gz UTHBVAPIQDGCDK-XLIONFOSSA-N 1 0 372.484 3.479 20 10 FGCDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185007061 496619035 /nfs/dbraw/zinc/61/90/35/496619035.db2.gz ACJZVIMKDNWBDH-MRXNPFEDSA-N 1 0 369.509 3.187 20 10 FGCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000158086104 496624040 /nfs/dbraw/zinc/62/40/40/496624040.db2.gz BSTFIIPCLGPNOD-QGZVFWFLSA-N 1 0 362.493 3.052 20 10 FGCDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Br)cc1O ZINC000185062017 496643231 /nfs/dbraw/zinc/64/32/31/496643231.db2.gz XGOOMXHCOVYSFS-LBPRGKRZSA-N 1 0 355.276 3.208 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185072128 496646836 /nfs/dbraw/zinc/64/68/36/496646836.db2.gz ZBSWHWZFHYDHLJ-AWEZNQCLSA-N 1 0 360.429 3.227 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000185172594 496690429 /nfs/dbraw/zinc/69/04/29/496690429.db2.gz DCLWMARXHJAIBZ-OAHLLOKOSA-N 1 0 354.450 3.356 20 10 FGCDRO COc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)ccc1OCCO ZINC000273303822 496769640 /nfs/dbraw/zinc/76/96/40/496769640.db2.gz CERCSPUHKFHYQS-LBPRGKRZSA-N 1 0 351.830 3.276 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c(O)c1C ZINC000273363582 496783814 /nfs/dbraw/zinc/78/38/14/496783814.db2.gz DJKZPEBFCGISTP-NVXWUHKLSA-N 1 0 355.482 3.480 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273427594 496804353 /nfs/dbraw/zinc/80/43/53/496804353.db2.gz URTJWUHGIJCAFS-INIZCTEOSA-N 1 0 356.466 3.375 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000277978872 496958728 /nfs/dbraw/zinc/95/87/28/496958728.db2.gz TVUFMBSECKQYBK-DZGCQCFKSA-N 1 0 350.459 3.136 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000269509906 496962048 /nfs/dbraw/zinc/96/20/48/496962048.db2.gz OIBAVQKWBSCLGR-UHFFFAOYSA-N 1 0 356.495 3.233 20 10 FGCDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000274645479 497136681 /nfs/dbraw/zinc/13/66/81/497136681.db2.gz KPQVRLFHSDSGPQ-IBGZPJMESA-N 1 0 364.530 3.397 20 10 FGCDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1ccc(N)cc1 ZINC000236898312 497164914 /nfs/dbraw/zinc/16/49/14/497164914.db2.gz UTBGEJWXENENTK-UHFFFAOYSA-N 1 0 365.481 3.142 20 10 FGCDRO Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)s1 ZINC000237665872 497272745 /nfs/dbraw/zinc/27/27/45/497272745.db2.gz LRFMFAWLDZHEDM-HOTGVXAUSA-N 1 0 373.497 3.025 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000266750189 497412145 /nfs/dbraw/zinc/41/21/45/497412145.db2.gz CADIIYBAYNCTKH-UHFFFAOYSA-N 1 0 360.546 3.405 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000271718455 497427734 /nfs/dbraw/zinc/42/77/34/497427734.db2.gz IZRSKYAMOKARSO-UHFFFAOYSA-N 1 0 358.413 3.391 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1 ZINC000271904851 497483398 /nfs/dbraw/zinc/48/33/98/497483398.db2.gz YWSPUBPHCBQNHW-DZGCQCFKSA-N 1 0 358.404 3.199 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCO1 ZINC000271904859 497483662 /nfs/dbraw/zinc/48/36/62/497483662.db2.gz YWSPUBPHCBQNHW-UKRRQHHQSA-N 1 0 358.404 3.199 20 10 FGCDRO C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC000245639728 497484677 /nfs/dbraw/zinc/48/46/77/497484677.db2.gz AOYXSHIQNKHFIF-VMGNRKAOSA-N 1 0 372.490 3.372 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1O ZINC000272002625 497508691 /nfs/dbraw/zinc/50/86/91/497508691.db2.gz WJGZRFMSVAYWNO-UHFFFAOYSA-N 1 0 359.857 3.143 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295828918 497822617 /nfs/dbraw/zinc/82/26/17/497822617.db2.gz DUKWEYGJFXXDIP-GOSISDBHSA-N 1 0 374.506 3.200 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(OCCOC)CCOCC2)cc1 ZINC000296297754 497989939 /nfs/dbraw/zinc/98/99/39/497989939.db2.gz FTKMDVANXOKKGA-KRWDZBQOSA-N 1 0 350.503 3.006 20 10 FGCDRO Nc1nc(Cl)cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301209399 498000947 /nfs/dbraw/zinc/00/09/47/498000947.db2.gz SUKDBYMZDDYFAG-LBPRGKRZSA-N 1 0 368.268 3.148 20 10 FGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281265546 498079154 /nfs/dbraw/zinc/07/91/54/498079154.db2.gz HDBGSCMARCXMHD-UHFFFAOYSA-N 1 0 360.477 3.162 20 10 FGCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296550549 498090238 /nfs/dbraw/zinc/09/02/38/498090238.db2.gz OQSGLOORYZGOEB-GOSISDBHSA-N 1 0 360.498 3.077 20 10 FGCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000281294533 498093026 /nfs/dbraw/zinc/09/30/26/498093026.db2.gz YHGWVFHHKSSTNY-AAEUAGOBSA-N 1 0 355.276 3.064 20 10 FGCDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cccc(C)c2O)CC1 ZINC000292710860 498117658 /nfs/dbraw/zinc/11/76/58/498117658.db2.gz DHEZZAMMOKWJHY-UHFFFAOYSA-N 1 0 359.495 3.170 20 10 FGCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(Cl)cc(OC)c1O ZINC000289448652 498151473 /nfs/dbraw/zinc/15/14/73/498151473.db2.gz MWMLNUMWMSVFAU-UHFFFAOYSA-N 1 0 350.846 3.488 20 10 FGCDRO CCOC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2[O-])[nH]c1C ZINC000296714996 498166661 /nfs/dbraw/zinc/16/66/61/498166661.db2.gz IWHFKEHLHRYUIH-UHFFFAOYSA-N 1 0 367.243 3.258 20 10 FGCDRO COC(=O)/C=C/c1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301728121 498240254 /nfs/dbraw/zinc/24/02/54/498240254.db2.gz VYJZQXZJKFVXMD-CSKARUKUSA-N 1 0 373.453 3.236 20 10 FGCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC1CC[NH+](C2CCC2)CC1 ZINC000297052940 498304187 /nfs/dbraw/zinc/30/41/87/498304187.db2.gz LZMVDTYQOJQCSJ-UHFFFAOYSA-N 1 0 357.498 3.087 20 10 FGCDRO CN(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000360963634 498326775 /nfs/dbraw/zinc/32/67/75/498326775.db2.gz YRFAWWHBXJRVLE-XZOQPEGZSA-N 1 0 365.521 3.231 20 10 FGCDRO CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000361450553 498393354 /nfs/dbraw/zinc/39/33/54/498393354.db2.gz OYMWFVCRDJPVLL-UHFFFAOYSA-N 1 0 354.450 3.185 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1O ZINC000361988247 498448954 /nfs/dbraw/zinc/44/89/54/498448954.db2.gz DGPFOLBHEGLEDW-OAHLLOKOSA-N 1 0 362.271 3.209 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000362380249 498506696 /nfs/dbraw/zinc/50/66/96/498506696.db2.gz MZGWOMZZCWNJLR-UHFFFAOYSA-N 1 0 355.457 3.286 20 10 FGCDRO CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1cc(Br)ccc1O ZINC000290418417 498544740 /nfs/dbraw/zinc/54/47/40/498544740.db2.gz UQKXFQFWCMNRII-ZDUSSCGKSA-N 1 0 364.305 3.019 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc(Br)ccc1O ZINC000283173955 498806794 /nfs/dbraw/zinc/80/67/94/498806794.db2.gz JJPRDNPGPKXEFZ-HZMBPMFUSA-N 1 0 353.260 3.007 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287656125 498827908 /nfs/dbraw/zinc/82/79/08/498827908.db2.gz LMHWKUNMOLFDOI-QZTJIDSGSA-N 1 0 353.938 3.358 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294911473 498847275 /nfs/dbraw/zinc/84/72/75/498847275.db2.gz XZSOGSZXNPCIOM-GFCCVEGCSA-N 1 0 354.878 3.168 20 10 FGCDRO COC1CCN(c2ccc(C[NH+]3CCC(C4(C)OCCO4)CC3)cc2)CC1 ZINC000295023635 498883924 /nfs/dbraw/zinc/88/39/24/498883924.db2.gz VDVIBXBYODQMLB-UHFFFAOYSA-N 1 0 374.525 3.277 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1F ZINC000295125206 498918835 /nfs/dbraw/zinc/91/88/35/498918835.db2.gz XUYRVPOEORCCIE-GOSISDBHSA-N 1 0 372.488 3.021 20 10 FGCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)nc1C ZINC000283699814 498961557 /nfs/dbraw/zinc/96/15/57/498961557.db2.gz VDEHGHSRLIVYCF-UHFFFAOYSA-N 1 0 355.438 3.171 20 10 FGCDRO COc1cccc(-n2cc(C[NH2+][C@H](C)c3ccc(C)c(C)c3O)nn2)c1 ZINC000366673295 499028566 /nfs/dbraw/zinc/02/85/66/499028566.db2.gz DLMKXCSAZKGZLM-OAHLLOKOSA-N 1 0 352.438 3.449 20 10 FGCDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C2 ZINC000363862447 499028824 /nfs/dbraw/zinc/02/88/24/499028824.db2.gz YYZVBSHVMPKNGQ-DGCLKSJQSA-N 1 0 350.260 3.325 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2F)CC1 ZINC000372688073 499161226 /nfs/dbraw/zinc/16/12/26/499161226.db2.gz ADXCRIOGDYMFDB-UHFFFAOYSA-N 1 0 362.489 3.368 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)c(O)c1 ZINC000370375423 499214490 /nfs/dbraw/zinc/21/44/90/499214490.db2.gz UVCFWMZGEFGGSQ-CVEARBPZSA-N 1 0 353.466 3.119 20 10 FGCDRO CCc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)no1 ZINC000368708853 499324291 /nfs/dbraw/zinc/32/42/91/499324291.db2.gz XXPQEUSEEJPLPZ-NSHDSACASA-N 1 0 351.834 3.379 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000372436135 499434291 /nfs/dbraw/zinc/43/42/91/499434291.db2.gz QBCISGKARRUGED-UHFFFAOYSA-N 1 0 358.530 3.303 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CC3(SC)CCOCC3)CC2)cc1 ZINC000373140488 499453401 /nfs/dbraw/zinc/45/34/01/499453401.db2.gz RQXKJOOSTNDLLK-UHFFFAOYSA-N 1 0 350.528 3.166 20 10 FGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(O)c1 ZINC000373496005 499473146 /nfs/dbraw/zinc/47/31/46/499473146.db2.gz GEXNVRFGERJZBF-UHFFFAOYSA-N 1 0 374.868 3.449 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608684 499479651 /nfs/dbraw/zinc/47/96/51/499479651.db2.gz LKFBIHAXUZEYCX-QWHCGFSZSA-N 1 0 361.467 3.269 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000375305755 499505234 /nfs/dbraw/zinc/50/52/34/499505234.db2.gz JBRQSMQIXHWERI-HOTGVXAUSA-N 1 0 360.498 3.432 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000378382201 499509878 /nfs/dbraw/zinc/50/98/78/499509878.db2.gz YJGWFNDOCKVKEJ-PKOBYXMFSA-N 1 0 359.470 3.003 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000375996078 499574747 /nfs/dbraw/zinc/57/47/47/499574747.db2.gz WYPLQYWWYXWKBL-JOCHJYFZSA-N 1 0 367.493 3.446 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C[S@@](C)=O)cc3)CC2)cc1 ZINC000376129553 499585202 /nfs/dbraw/zinc/58/52/02/499585202.db2.gz LOMAKPSIJRKLJG-AREMUKBSSA-N 1 0 372.534 3.332 20 10 FGCDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000376212579 499591589 /nfs/dbraw/zinc/59/15/89/499591589.db2.gz UURUKNTWTWDQFT-HOTGVXAUSA-N 1 0 367.287 3.130 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc21 ZINC000607689956 506226536 /nfs/dbraw/zinc/22/65/36/506226536.db2.gz USAIYWOLXFRVDG-KBXCAEBGSA-N 1 0 357.498 3.117 20 10 FGCDRO CSC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435874214 501040330 /nfs/dbraw/zinc/04/03/30/501040330.db2.gz IDKKKZMAHVXQDN-OAHLLOKOSA-N 1 0 359.539 3.276 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CSC2(C)C)C1 ZINC000582499213 506259150 /nfs/dbraw/zinc/25/91/50/506259150.db2.gz NLZHTCSXEFVFTJ-IBGZPJMESA-N 1 0 371.550 3.418 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3[C@@H](C)CC[NH2+][C@H]3C)ccc21 ZINC000582553643 506292087 /nfs/dbraw/zinc/29/20/87/506292087.db2.gz OWYZFPCVRCLWMS-ZQGRQUNCSA-N 1 0 357.498 3.021 20 10 FGCDRO CCN(C[C@H](C)OC)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000462863181 502604568 /nfs/dbraw/zinc/60/45/68/502604568.db2.gz ROPCJCWHIOPUCG-KRWDZBQOSA-N 1 0 371.525 3.291 20 10 FGCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000490234409 503137508 /nfs/dbraw/zinc/13/75/08/503137508.db2.gz DGYXWJKUOFURBF-OAHLLOKOSA-N 1 0 359.514 3.365 20 10 FGCDRO CC1(C)CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2cccc(Cl)c21 ZINC000592516500 507689854 /nfs/dbraw/zinc/68/98/54/507689854.db2.gz OXBSZYYLGRHKIP-LBPRGKRZSA-N 1 0 358.873 3.311 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825394397 608282738 /nfs/dbraw/zinc/28/27/38/608282738.db2.gz BWPFVYAHHSHPCN-OAHLLOKOSA-N 1 0 366.469 3.052 20 10 FGCDRO O=C(NCCC[N@H+](Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000091619247 700422911 /nfs/dbraw/zinc/42/29/11/700422911.db2.gz WGDMMZIZAOXIET-UHFFFAOYSA-N 1 0 356.344 3.056 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093685133 700453387 /nfs/dbraw/zinc/45/33/87/700453387.db2.gz LCDYQNLYIURDBX-CQSZACIVSA-N 1 0 358.404 3.323 20 10 FGCDRO CC(C)(C)c1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000101589775 700469287 /nfs/dbraw/zinc/46/92/87/700469287.db2.gz NFSPLPHCAJKTQP-HNNXBMFYSA-N 1 0 353.528 3.264 20 10 FGCDRO O=C(Nc1ccccn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000109846978 700537238 /nfs/dbraw/zinc/53/72/38/700537238.db2.gz UXYAOKHHQUMKLE-OAHLLOKOSA-N 1 0 360.845 3.227 20 10 FGCDRO COc1cc([C@H](C)[NH2+]Cc2c(O)cccc2Cl)ccc1OCCO ZINC000113327101 700571050 /nfs/dbraw/zinc/57/10/50/700571050.db2.gz QUUPOMDKWVYBDY-LBPRGKRZSA-N 1 0 351.830 3.276 20 10 FGCDRO CCC[N@H+](Cc1cc(C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000122354362 700688450 /nfs/dbraw/zinc/68/84/50/700688450.db2.gz LYOAVUNNZYMBIS-INIZCTEOSA-N 1 0 353.528 3.397 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1O ZINC000128838087 700780335 /nfs/dbraw/zinc/78/03/35/700780335.db2.gz JRKDBOOLSFPBJD-MFKMUULPSA-N 1 0 357.292 3.499 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(Br)ccc1O ZINC000130305328 700799106 /nfs/dbraw/zinc/79/91/06/700799106.db2.gz NJLMMGRSDJTQPC-DOMZBBRYSA-N 1 0 350.256 3.409 20 10 FGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C1CC1 ZINC000130806849 700806619 /nfs/dbraw/zinc/80/66/19/700806619.db2.gz XKOHQBLHWOITPO-HUUCEWRRSA-N 1 0 351.922 3.310 20 10 FGCDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCCSc2nccs2)C1 ZINC000152253941 704956746 /nfs/dbraw/zinc/95/67/46/704956746.db2.gz DBBBUTZDGGNTFT-OAHLLOKOSA-N 1 0 370.588 3.437 20 10 FGCDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154698424 705045245 /nfs/dbraw/zinc/04/52/45/705045245.db2.gz TUTJQUNFVXWLKM-IAGOWNOFSA-N 1 0 352.494 3.358 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000157911178 705167172 /nfs/dbraw/zinc/16/71/72/705167172.db2.gz CMPCKRVDLMALIP-UHFFFAOYSA-N 1 0 363.255 3.183 20 10 FGCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCN(CC(F)F)CC3)c2c1 ZINC000159587093 705227869 /nfs/dbraw/zinc/22/78/69/705227869.db2.gz CUXMVXUNHFSZEI-UHFFFAOYSA-N 1 0 350.409 3.327 20 10 FGCDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000160578299 705256830 /nfs/dbraw/zinc/25/68/30/705256830.db2.gz DMBBIACCWLKVRU-AWEZNQCLSA-N 1 0 357.420 3.396 20 10 FGCDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178758948 705675070 /nfs/dbraw/zinc/67/50/70/705675070.db2.gz MPSXTRAUIROCGR-CQSZACIVSA-N 1 0 352.450 3.045 20 10 FGCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000179202506 705692653 /nfs/dbraw/zinc/69/26/53/705692653.db2.gz JKEUAAWBGPMIFU-LBPRGKRZSA-N 1 0 364.287 3.276 20 10 FGCDRO C[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1n1ccnc1 ZINC000245737780 713611093 /nfs/dbraw/zinc/61/10/93/713611093.db2.gz FVZKJCMLRRDUTI-SWLSCSKDSA-N 1 0 350.260 3.434 20 10 FGCDRO Cc1noc(C)c1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000255900976 713709884 /nfs/dbraw/zinc/70/98/84/713709884.db2.gz BZULMUZZUAHORP-NTUHNPAUSA-N 1 0 353.513 3.080 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000780533623 724477246 /nfs/dbraw/zinc/47/72/46/724477246.db2.gz VCNCWKBWFHMVMO-KRWDZBQOSA-N 1 0 361.873 3.203 20 10 FGCDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000783716721 724780984 /nfs/dbraw/zinc/78/09/84/724780984.db2.gz DQYQCUUFCXBLEI-KRWDZBQOSA-N 1 0 358.404 3.067 20 10 FGCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1c(O)cccc1Br ZINC000706809497 722412122 /nfs/dbraw/zinc/41/21/22/722412122.db2.gz AOCUJYHCGJTDAJ-JTQLQIEISA-N 1 0 359.264 3.158 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c(O)c1 ZINC000727836726 722447988 /nfs/dbraw/zinc/44/79/88/722447988.db2.gz DNYAWYHFALKXKH-QGZVFWFLSA-N 1 0 355.356 3.331 20 10 FGCDRO CC[NH+](CC)CCOc1cc(NC(=O)C2=CC(=O)CS2)ccc1OC ZINC000732286977 722483441 /nfs/dbraw/zinc/48/34/41/722483441.db2.gz KSCNJZKTYVCEET-UHFFFAOYSA-N 1 0 364.467 3.435 20 10 FGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000734522192 722508207 /nfs/dbraw/zinc/50/82/07/722508207.db2.gz YKTZHHNDUBHPTE-SFHVURJKSA-N 1 0 360.527 3.225 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000740000440 722534660 /nfs/dbraw/zinc/53/46/60/722534660.db2.gz CMKVKIZLZNZHQW-CALCHBBNSA-N 1 0 351.510 3.261 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000753136972 722886621 /nfs/dbraw/zinc/88/66/21/722886621.db2.gz GIRFJNYZFRWUHM-MOPGFXCFSA-N 1 0 361.555 3.071 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756398480 722963950 /nfs/dbraw/zinc/96/39/50/722963950.db2.gz IOBBOZOZJKJSBK-GFCCVEGCSA-N 1 0 360.329 3.376 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000756493488 722965530 /nfs/dbraw/zinc/96/55/30/722965530.db2.gz GAYGWSNESODJPA-QWHCGFSZSA-N 1 0 364.467 3.184 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c2c1c(F)ccc2O ZINC000756743838 722969424 /nfs/dbraw/zinc/96/94/24/722969424.db2.gz WWAJZXILGGFXEI-ABAIWWIYSA-N 1 0 361.438 3.199 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000757906985 722981096 /nfs/dbraw/zinc/98/10/96/722981096.db2.gz NOJICHQBBDTIJY-CQSZACIVSA-N 1 0 367.276 3.441 20 10 FGCDRO Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000761981918 723203543 /nfs/dbraw/zinc/20/35/43/723203543.db2.gz JRTOLFMPENWXSK-INIZCTEOSA-N 1 0 362.857 3.270 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1O ZINC000763663086 723358857 /nfs/dbraw/zinc/35/88/57/723358857.db2.gz UTZROMOTODIUOE-AWEZNQCLSA-N 1 0 371.319 3.054 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(C(F)(F)F)c1 ZINC000792800197 723368830 /nfs/dbraw/zinc/36/88/30/723368830.db2.gz VQTQPUQCCUFHGL-ZDUSSCGKSA-N 1 0 357.420 3.249 20 10 FGCDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831412 723372573 /nfs/dbraw/zinc/37/25/73/723372573.db2.gz GMMWJPXNDHWBRT-AWEZNQCLSA-N 1 0 360.420 3.256 20 10 FGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H]1C ZINC000792921999 723382550 /nfs/dbraw/zinc/38/25/50/723382550.db2.gz ULYZAWBNOVUTHR-HHXXYDBFSA-N 1 0 362.539 3.307 20 10 FGCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@H]1C ZINC000792922001 723382715 /nfs/dbraw/zinc/38/27/15/723382715.db2.gz ULYZAWBNOVUTHR-VDZJLULYSA-N 1 0 362.539 3.307 20 10 FGCDRO COC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCCC1 ZINC000793232195 723414338 /nfs/dbraw/zinc/41/43/38/723414338.db2.gz UPSDYOFXMXMAIF-UHFFFAOYSA-N 1 0 372.259 3.129 20 10 FGCDRO CCc1cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793701449 723461859 /nfs/dbraw/zinc/46/18/59/723461859.db2.gz UIDACNXGNPTRKE-OAHLLOKOSA-N 1 0 353.528 3.119 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000765440278 723513619 /nfs/dbraw/zinc/51/36/19/723513619.db2.gz MNUBZFUWBZJZDT-LSDHHAIUSA-N 1 0 360.889 3.248 20 10 FGCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1O ZINC000794807579 723546950 /nfs/dbraw/zinc/54/69/50/723546950.db2.gz ZMIYVQQQTFGXNY-GOSISDBHSA-N 1 0 362.495 3.028 20 10 FGCDRO Cc1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766671304 723585806 /nfs/dbraw/zinc/58/58/06/723585806.db2.gz SQIKFNOFUBEBQH-MRXNPFEDSA-N 1 0 353.528 3.397 20 10 FGCDRO CCOCc1cc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)ccc1OC ZINC000796526410 723641486 /nfs/dbraw/zinc/64/14/86/723641486.db2.gz MULHRRMGXXLIKK-VWLOTQADSA-N 1 0 361.507 3.400 20 10 FGCDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442231 723657687 /nfs/dbraw/zinc/65/76/87/723657687.db2.gz KUUYMGBJOVFPFS-SFHVURJKSA-N 1 0 363.841 3.372 20 10 FGCDRO C[N@H+](Cc1ccc(Br)s1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440710 723657743 /nfs/dbraw/zinc/65/77/43/723657743.db2.gz CBHIJTGWWUEKHX-ZDUSSCGKSA-N 1 0 370.268 3.274 20 10 FGCDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1O)OC[C@@H]3O)CCC2 ZINC000768463783 723658439 /nfs/dbraw/zinc/65/84/39/723658439.db2.gz WWNCPDRSLGZRSK-ZBFHGGJFSA-N 1 0 360.479 3.346 20 10 FGCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798003988 723897756 /nfs/dbraw/zinc/89/77/56/723897756.db2.gz KARPXJKUFNQVHF-JBEBIEQOSA-N 1 0 370.946 3.128 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000775048885 723956040 /nfs/dbraw/zinc/95/60/40/723956040.db2.gz WJLYWSBSXPVKDR-KBPBESRZSA-N 1 0 350.459 3.278 20 10 FGCDRO Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000775145683 723963730 /nfs/dbraw/zinc/96/37/30/723963730.db2.gz IPGWACLXGHIBQP-UHFFFAOYSA-N 1 0 373.254 3.334 20 10 FGCDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000775304633 723980740 /nfs/dbraw/zinc/98/07/40/723980740.db2.gz GLGIOKXAEYJCRL-FXAWDEMLSA-N 1 0 362.539 3.003 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC000798966525 723980818 /nfs/dbraw/zinc/98/08/18/723980818.db2.gz DKQSEAMORWFMRP-MRXNPFEDSA-N 1 0 352.475 3.430 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1O ZINC000775482803 723994717 /nfs/dbraw/zinc/99/47/17/723994717.db2.gz BKJMLIKAWMWMDI-QZTJIDSGSA-N 1 0 359.539 3.483 20 10 FGCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775491688 723995725 /nfs/dbraw/zinc/99/57/25/723995725.db2.gz HHFAAFYMNQKTTI-KRWDZBQOSA-N 1 0 367.921 3.077 20 10 FGCDRO CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)ccc1O ZINC000775506713 723996619 /nfs/dbraw/zinc/99/66/19/723996619.db2.gz CNNAUWCMBXIVCU-ZDUSSCGKSA-N 1 0 355.276 3.241 20 10 FGCDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000775662493 724019090 /nfs/dbraw/zinc/01/90/90/724019090.db2.gz TXPVKKLQUUQMDP-RLFYNMQTSA-N 1 0 352.906 3.428 20 10 FGCDRO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776775911 724181884 /nfs/dbraw/zinc/18/18/84/724181884.db2.gz QJXMULBIMFIOLK-AWEZNQCLSA-N 1 0 373.254 3.346 20 10 FGCDRO COc1cc(C)cc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000777551277 724237550 /nfs/dbraw/zinc/23/75/50/724237550.db2.gz FGMHPPHVOWUMTL-UHFFFAOYSA-N 1 0 363.845 3.196 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccc(Cl)c1[O-] ZINC000806138318 725117537 /nfs/dbraw/zinc/11/75/37/725117537.db2.gz UBUNLHDKDXYZHC-CRAIPNDOSA-N 1 0 353.938 3.360 20 10 FGCDRO CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1[O-] ZINC000806149889 725118157 /nfs/dbraw/zinc/11/81/57/725118157.db2.gz YOMHESPXCQLLET-BZSNNMDCSA-N 1 0 352.906 3.464 20 10 FGCDRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)c(O)c1 ZINC000809658851 725257016 /nfs/dbraw/zinc/25/70/16/725257016.db2.gz XWLXBNANMLICBG-UHFFFAOYSA-N 1 0 358.829 3.233 20 10 FGCDRO COc1cc(Br)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000809703096 725260546 /nfs/dbraw/zinc/26/05/46/725260546.db2.gz DDKHAUGKGAECHE-DOMZBBRYSA-N 1 0 369.303 3.222 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000809713633 725261597 /nfs/dbraw/zinc/26/15/97/725261597.db2.gz VTTUORDBEQCXAH-UHFFFAOYSA-N 1 0 350.138 3.186 20 10 FGCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000809723440 725262926 /nfs/dbraw/zinc/26/29/26/725262926.db2.gz WODPSZQUFADXDI-OAHLLOKOSA-N 1 0 370.877 3.497 20 10 FGCDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cc(Cl)ccc2O)cc1OC ZINC000810174075 725294614 /nfs/dbraw/zinc/29/46/14/725294614.db2.gz PKSDJWYLDVLCNN-IBGZPJMESA-N 1 0 365.857 3.146 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(CCF)CC1 ZINC000810631662 725318773 /nfs/dbraw/zinc/31/87/73/725318773.db2.gz MXNYKXGPHNZEHJ-OAHLLOKOSA-N 1 0 354.853 3.266 20 10 FGCDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(Br)c(F)c1 ZINC000814177940 726945146 /nfs/dbraw/zinc/94/51/46/726945146.db2.gz WBTKCZGZPYECQB-CQSZACIVSA-N 1 0 358.182 3.256 20 10 FGCDRO Cc1nsc(N2CCC[N@H+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816515857 727170418 /nfs/dbraw/zinc/17/04/18/727170418.db2.gz MYRISXOUPWJZKJ-UHFFFAOYSA-N 1 0 354.479 3.418 20 10 FGCDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000817365719 727244223 /nfs/dbraw/zinc/24/42/23/727244223.db2.gz NNFZOVNHMNYRKG-AWEZNQCLSA-N 1 0 363.255 3.018 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000818218806 727302213 /nfs/dbraw/zinc/30/22/13/727302213.db2.gz QRKQYPBCANUSMD-HZPDHXFCSA-N 1 0 350.459 3.182 20 10 FGCDRO C[C@@](O)(C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000819120102 727349721 /nfs/dbraw/zinc/34/97/21/727349721.db2.gz KRRTYWAEHGXWHO-XHDPSFHLSA-N 1 0 368.346 3.160 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000823442775 729281084 /nfs/dbraw/zinc/28/10/84/729281084.db2.gz IGKHBBZYLVMALS-LJQANCHMSA-N 1 0 360.523 3.358 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c1O ZINC000824383787 729335006 /nfs/dbraw/zinc/33/50/06/729335006.db2.gz VKQLLOUDSIZARI-HNNXBMFYSA-N 1 0 352.475 3.287 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCc2cnn(C)n2)cc1 ZINC000824433019 729337972 /nfs/dbraw/zinc/33/79/72/729337972.db2.gz HUGLRBUXBPPVIM-UHFFFAOYSA-N 1 0 355.511 3.235 20 10 FGCDRO CCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824596513 729349740 /nfs/dbraw/zinc/34/97/40/729349740.db2.gz FMHXTKPMYMQKCC-UHFFFAOYSA-N 1 0 355.276 3.035 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000825358375 729380320 /nfs/dbraw/zinc/38/03/20/729380320.db2.gz QWAFVVDUKNECIS-ZDUSSCGKSA-N 1 0 366.234 3.057 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](O)Cc1ccccc1 ZINC000825371295 729380708 /nfs/dbraw/zinc/38/07/08/729380708.db2.gz VSLHAXBRMIFLCD-LRDDRELGSA-N 1 0 350.256 3.236 20 10 FGCDRO Nc1nc(NCc2ccc(N3CCSCC3)cc2)c2c([nH+]1)CCCC2 ZINC000825604279 729389183 /nfs/dbraw/zinc/38/91/83/729389183.db2.gz YSDCUPDEEYNOPL-UHFFFAOYSA-N 1 0 355.511 3.103 20 10 FGCDRO C[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000825754081 729394074 /nfs/dbraw/zinc/39/40/74/729394074.db2.gz ZJWAQNJHHMZRMS-PBFPGSCMSA-N 1 0 370.287 3.313 20 10 FGCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@H](O)Cc1ccccc1 ZINC000826003860 729401924 /nfs/dbraw/zinc/40/19/24/729401924.db2.gz XYNAMZXGDDNDTM-MRXNPFEDSA-N 1 0 350.256 3.190 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1O ZINC000826267717 729406987 /nfs/dbraw/zinc/40/69/87/729406987.db2.gz RUISCKFWVGJBHS-UHFFFAOYSA-N 1 0 355.829 3.313 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000827943604 729437579 /nfs/dbraw/zinc/43/75/79/729437579.db2.gz XPYGSOANLXKQEY-SFHVURJKSA-N 1 0 362.857 3.443 20 10 FGCDRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000834772202 729833120 /nfs/dbraw/zinc/83/31/20/729833120.db2.gz NJNIMVCGQSLGQO-UHFFFAOYSA-N 1 0 360.479 3.449 20 10 FGCDRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(N(C)C)cc1 ZINC000834841567 729838764 /nfs/dbraw/zinc/83/87/64/729838764.db2.gz XEHGLNAEEIGSMI-ZDUSSCGKSA-N 1 0 364.287 3.028 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(Br)ccc1O ZINC000834851022 729839066 /nfs/dbraw/zinc/83/90/66/729839066.db2.gz SEAIHIOGVNDTFV-GOEBONIOSA-N 1 0 371.319 3.042 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)ccc1O ZINC000834914009 729846193 /nfs/dbraw/zinc/84/61/93/729846193.db2.gz KBFLKSQWOUBWJC-SNPRPXQTSA-N 1 0 367.287 3.349 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1 ZINC000835042018 729852478 /nfs/dbraw/zinc/85/24/78/729852478.db2.gz FWAUAAYPQVKFLH-VOTSOKGWSA-N 1 0 358.507 3.100 20 10 FGCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cc2c(cc1O)CCCC2 ZINC000840890399 730188743 /nfs/dbraw/zinc/18/87/43/730188743.db2.gz NCBVTANYKGDIOO-AWEZNQCLSA-N 1 0 351.512 3.137 20 10 FGCDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1C ZINC000840906971 730189672 /nfs/dbraw/zinc/18/96/72/730189672.db2.gz YQMSYMKLBUEUEX-AWEZNQCLSA-N 1 0 350.413 3.089 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000840955934 730197011 /nfs/dbraw/zinc/19/70/11/730197011.db2.gz BJCIENZOVNIZJT-UHFFFAOYSA-N 1 0 353.871 3.437 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1O ZINC000840960490 730197732 /nfs/dbraw/zinc/19/77/32/730197732.db2.gz ICZSWZNWTIILFS-QLJPJBMISA-N 1 0 358.276 3.457 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nc3ccc(Cl)cc3n2C)cc1 ZINC000841046207 730206068 /nfs/dbraw/zinc/20/60/68/730206068.db2.gz XZKYQXXBWUUQLN-INIZCTEOSA-N 1 0 357.889 3.082 20 10 FGCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1O ZINC000841756163 730270924 /nfs/dbraw/zinc/27/09/24/730270924.db2.gz UMBDVFPJLSISAY-QRWLVFNGSA-N 1 0 360.885 3.333 20 10 FGCDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCCCSc1nccs1 ZINC000841857247 730281331 /nfs/dbraw/zinc/28/13/31/730281331.db2.gz NWDKCZOEKDCBDA-UHFFFAOYSA-N 1 0 356.561 3.176 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCC[NH2+]C3)cc2Cl)C1 ZINC000841897810 730284274 /nfs/dbraw/zinc/28/42/74/730284274.db2.gz XKBKAGAVMADTFE-ZBFHGGJFSA-N 1 0 364.921 3.128 20 10 FGCDRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC000841897193 730284276 /nfs/dbraw/zinc/28/42/76/730284276.db2.gz RLIVXJWXKNVMDC-GDBMZVCRSA-N 1 0 364.921 3.080 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000843126603 730589073 /nfs/dbraw/zinc/58/90/73/730589073.db2.gz LOVHIKQEVQEBFZ-CQSZACIVSA-N 1 0 353.304 3.285 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c1O ZINC000843409674 730616662 /nfs/dbraw/zinc/61/66/62/730616662.db2.gz UMSYAKFIFJETTH-DZGCQCFKSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])c1O ZINC000844902264 730787036 /nfs/dbraw/zinc/78/70/36/730787036.db2.gz OHTKCDRZCLDSTJ-BXUZGUMPSA-N 1 0 357.292 3.113 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000846143351 730931762 /nfs/dbraw/zinc/93/17/62/730931762.db2.gz DZRANFUKYNJSPH-CYBMUJFWSA-N 1 0 350.459 3.451 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846162066 730932566 /nfs/dbraw/zinc/93/25/66/730932566.db2.gz ADRWKPDIESAIEG-GJZGRUSLSA-N 1 0 363.479 3.222 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846164308 730932890 /nfs/dbraw/zinc/93/28/90/730932890.db2.gz NXAMHRFAYUZHMF-ILXRZTDVSA-N 1 0 350.459 3.308 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CCCn2cc(Br)cn2)c1O ZINC000846170855 730933271 /nfs/dbraw/zinc/93/32/71/730933271.db2.gz MKDREVJGLBYJLM-LLVKDONJSA-N 1 0 354.248 3.101 20 10 FGCDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846210091 730936743 /nfs/dbraw/zinc/93/67/43/730936743.db2.gz JWDXLPPYWXTKGU-HNNXBMFYSA-N 1 0 352.906 3.380 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2cnn(C)c2)c1O ZINC000848523961 731175204 /nfs/dbraw/zinc/17/52/04/731175204.db2.gz BQRBZSSYDSMJAM-LLVKDONJSA-N 1 0 368.275 3.180 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)c1O ZINC000848529524 731176033 /nfs/dbraw/zinc/17/60/33/731176033.db2.gz PHDRETZIGXFXOF-GMXVVIOVSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(OC)CCOCC2)c1O ZINC000848535898 731177492 /nfs/dbraw/zinc/17/74/92/731177492.db2.gz LPOQPIFMEIGSSQ-LLVKDONJSA-N 1 0 374.275 3.010 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOC(F)(F)F)c1O ZINC000848548321 731179349 /nfs/dbraw/zinc/17/93/49/731179349.db2.gz ZMMRXNFFTYJKFY-SSDOTTSWSA-N 1 0 358.154 3.350 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1O)[C@@H](O)C(F)F ZINC000848552220 731180553 /nfs/dbraw/zinc/18/05/53/731180553.db2.gz AFYZUCYUIRUIRG-LIEFSGRHSA-N 1 0 368.218 3.219 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1OC ZINC000848926600 731221336 /nfs/dbraw/zinc/22/13/36/731221336.db2.gz TZEZQFYADOQHDE-CQSZACIVSA-N 1 0 353.459 3.113 20 10 FGCDRO COc1ccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c(O)c1 ZINC000849095281 731228756 /nfs/dbraw/zinc/22/87/56/731228756.db2.gz QJVKVDIXABIWLV-UHFFFAOYSA-N 1 0 353.344 3.234 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc([C@H]4CCCO4)s3)C2)cc1 ZINC000850347142 731345431 /nfs/dbraw/zinc/34/54/31/731345431.db2.gz OGZLSWNVCSBTST-RDTXWAMCSA-N 1 0 359.495 3.372 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1F ZINC000850353339 731346968 /nfs/dbraw/zinc/34/69/68/731346968.db2.gz APQDQMSVZOEKEO-JENIJYKNSA-N 1 0 352.494 3.328 20 10 FGCDRO CC[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000850355309 731347308 /nfs/dbraw/zinc/34/73/08/731347308.db2.gz DSFJQCAVFWOAHW-HKUYNNGSSA-N 1 0 364.555 3.227 20 10 FGCDRO CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000850355315 731347353 /nfs/dbraw/zinc/34/73/53/731347353.db2.gz DSFJQCAVFWOAHW-MJGOQNOKSA-N 1 0 364.555 3.227 20 10 FGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357650 731348226 /nfs/dbraw/zinc/34/82/26/731348226.db2.gz QMPUSOMFTPLECA-OAHLLOKOSA-N 1 0 364.848 3.041 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@]34OCCC[C@H]3C4(F)F)CC2)cc1 ZINC000850380565 731350690 /nfs/dbraw/zinc/35/06/90/731350690.db2.gz XEEQVNZJJLQASK-MSOLQXFVSA-N 1 0 352.425 3.068 20 10 FGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000850411696 731353957 /nfs/dbraw/zinc/35/39/57/731353957.db2.gz ILTRXCOIOYGWIB-PXAZEXFGSA-N 1 0 350.256 3.409 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850435010 731356841 /nfs/dbraw/zinc/35/68/41/731356841.db2.gz FWQIFHBICNGKBK-IAGOWNOFSA-N 1 0 350.890 3.311 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)C2)cc1 ZINC000850489079 731362715 /nfs/dbraw/zinc/36/27/15/731362715.db2.gz QJDBAFDGCHKAHY-RTNKVPBISA-N 1 0 358.507 3.362 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cc(Br)ccc1O ZINC000850499312 731364928 /nfs/dbraw/zinc/36/49/28/731364928.db2.gz MYINKENYELGILF-ICCXJUOJSA-N 1 0 351.248 3.493 20 10 FGCDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC000850549666 731371982 /nfs/dbraw/zinc/37/19/82/731371982.db2.gz JRJKUPQJFKHJKW-HNNXBMFYSA-N 1 0 360.889 3.168 20 10 FGCDRO CC[C@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000850559097 731373032 /nfs/dbraw/zinc/37/30/32/731373032.db2.gz XIDDTJWCGYUEND-ZDUSSCGKSA-N 1 0 365.417 3.419 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(Br)cc1O ZINC000850559702 731373138 /nfs/dbraw/zinc/37/31/38/731373138.db2.gz ANXRUAOSTLVVTO-YVEFUNNKSA-N 1 0 372.303 3.373 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C(F)(F)F)CCCCC2)cc1 ZINC000852791004 731636011 /nfs/dbraw/zinc/63/60/11/731636011.db2.gz CEVLCIXGLHRCNO-HNNXBMFYSA-N 1 0 357.420 3.381 20 10 FGCDRO CO[C@H](CC(C)C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000857471839 732133163 /nfs/dbraw/zinc/13/31/63/732133163.db2.gz CCDSSWCJFMKGIR-SJLPKXTDSA-N 1 0 368.905 3.187 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000857914403 732168813 /nfs/dbraw/zinc/16/88/13/732168813.db2.gz KIGOJEIGQCORLQ-GOSISDBHSA-N 1 0 357.885 3.473 20 10 FGCDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000858089988 732179251 /nfs/dbraw/zinc/17/92/51/732179251.db2.gz HFIVQAGYWRDOBL-BETUJISGSA-N 1 0 371.319 3.132 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000858151159 732186450 /nfs/dbraw/zinc/18/64/50/732186450.db2.gz WAPZPUSFEVMZJI-NHYWBVRUSA-N 1 0 358.301 3.299 20 10 FGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000858195391 732191311 /nfs/dbraw/zinc/19/13/11/732191311.db2.gz VDLFRRRFROEOTG-SJCJKPOMSA-N 1 0 350.256 3.409 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1O ZINC000858245946 732196585 /nfs/dbraw/zinc/19/65/85/732196585.db2.gz ZCARFFZWWDNEDI-QGZVFWFLSA-N 1 0 362.857 3.049 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858546264 732226152 /nfs/dbraw/zinc/22/61/52/732226152.db2.gz QSINWPRIYUSZHR-RFUYNDQBSA-N 1 0 350.890 3.395 20 10 FGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1)C(N)=O ZINC000862383432 732820963 /nfs/dbraw/zinc/82/09/63/732820963.db2.gz SKALSBBWSYOJHQ-LBPRGKRZSA-N 1 0 369.303 3.268 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000865404303 733192778 /nfs/dbraw/zinc/19/27/78/733192778.db2.gz IHNDCNGRJWSURF-CQSZACIVSA-N 1 0 357.445 3.391 20 10 FGCDRO OCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Cl)c(F)c1 ZINC000865655050 733246614 /nfs/dbraw/zinc/24/66/14/733246614.db2.gz ZOXRRIVJUPILKY-AWEZNQCLSA-N 1 0 353.777 3.127 20 10 FGCDRO C[NH+]1CCC(n2cc(NCc3cccc(Br)c3O)cn2)CC1 ZINC000865702567 733254172 /nfs/dbraw/zinc/25/41/72/733254172.db2.gz FIENTVNRQKZJDD-UHFFFAOYSA-N 1 0 365.275 3.230 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000865793150 733271334 /nfs/dbraw/zinc/27/13/34/733271334.db2.gz WHVRKDWEZCISML-CTYIDZIISA-N 1 0 350.459 3.184 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1O ZINC000866531279 733361280 /nfs/dbraw/zinc/36/12/80/733361280.db2.gz FHXZACVQPSMMHS-JSGCOSHPSA-N 1 0 370.287 3.391 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCOC1 ZINC000872029468 735579224 /nfs/dbraw/zinc/57/92/24/735579224.db2.gz XEUABUNDOJQZGO-APWZRJJASA-N 1 0 350.478 3.082 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccnc(SC)c2)cc1Cn1cccn1 ZINC000873100351 735720274 /nfs/dbraw/zinc/72/02/74/735720274.db2.gz QMXOTSNSPCNFQG-UHFFFAOYSA-N 1 0 354.479 3.347 20 10 FGCDRO Cc1occ(C(F)(F)F)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876505802 736108109 /nfs/dbraw/zinc/10/81/09/736108109.db2.gz BIXUICZVQAGDHE-CQSZACIVSA-N 1 0 355.360 3.103 20 10 FGCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1 ZINC000876713810 736135559 /nfs/dbraw/zinc/13/55/59/736135559.db2.gz TZIVBUQLELPRMX-INIZCTEOSA-N 1 0 351.372 3.088 20 10 FGCDRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CCCSc1nccs1 ZINC000877061351 736182039 /nfs/dbraw/zinc/18/20/39/736182039.db2.gz FOBRVTGPNHUDNT-UHFFFAOYSA-N 1 0 368.528 3.104 20 10 FGCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877559577 736683869 /nfs/dbraw/zinc/68/38/69/736683869.db2.gz OWDWNEPDDFHVHY-HNNXBMFYSA-N 1 0 360.420 3.095 20 10 FGCDRO COc1cc(C[NH2+]Cc2c(C)cccc2O)c(Br)cc1O ZINC000877608540 736692538 /nfs/dbraw/zinc/69/25/38/736692538.db2.gz SVRAMNOAJJMZOP-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1O ZINC000877691681 736706245 /nfs/dbraw/zinc/70/62/45/736706245.db2.gz OLVIZDDLCGXPLV-QGZVFWFLSA-N 1 0 350.802 3.260 20 10 FGCDRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649749 737022887 /nfs/dbraw/zinc/02/28/87/737022887.db2.gz FUTRRZKCNGRRKE-NEPJUHHUSA-N 1 0 362.451 3.227 20 10 FGCDRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000883305946 737550665 /nfs/dbraw/zinc/55/06/65/737550665.db2.gz JRGODRIZYCDHSP-NVXWUHKLSA-N 1 0 368.518 3.434 20 10 FGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000886142555 739222486 /nfs/dbraw/zinc/22/24/86/739222486.db2.gz FPLFNQOQOXMRTR-HOTGVXAUSA-N 1 0 354.441 3.239 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894940193 742354752 /nfs/dbraw/zinc/35/47/52/742354752.db2.gz RCOPOBBLEAXZSA-SNRMKQJTSA-N 1 0 350.478 3.215 20 10 FGCDRO OCCOC1(C[NH2+]Cc2c(O)cccc2Cl)CCC(C(F)F)CC1 ZINC000897539460 742686949 /nfs/dbraw/zinc/68/69/49/742686949.db2.gz DANCEIAAIBLPHD-UHFFFAOYSA-N 1 0 363.832 3.338 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1O ZINC000897781042 742713274 /nfs/dbraw/zinc/71/32/74/742713274.db2.gz NVSUSDMHBPDRLT-NBZBQWRSSA-N 1 0 356.260 3.211 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCc2cccnc2C)c1O ZINC000898257546 742764932 /nfs/dbraw/zinc/76/49/32/742764932.db2.gz XWLDPUDGPCOXJE-UHFFFAOYSA-N 1 0 351.244 3.199 20 10 FGCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000902763746 743773682 /nfs/dbraw/zinc/77/36/82/743773682.db2.gz YJIAAXPUQWQWIZ-AEFFLSMTSA-N 1 0 350.478 3.224 20 10 FGCDRO C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(Br)cc1O ZINC000903347387 743839775 /nfs/dbraw/zinc/83/97/75/743839775.db2.gz NKZIARMOKFCROU-LBPRGKRZSA-N 1 0 370.287 3.127 20 10 FGCDRO c1ccc2nc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cnc2c1 ZINC000917432158 758221234 /nfs/dbraw/zinc/22/12/34/758221234.db2.gz SJCLKNXJGGCRPC-UHFFFAOYSA-N 1 0 350.491 3.473 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000925785616 759537733 /nfs/dbraw/zinc/53/77/33/759537733.db2.gz VCCAMOLJRWWJPK-BDAKNGLRSA-N 1 0 367.209 3.189 20 10 FGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929186083 760335773 /nfs/dbraw/zinc/33/57/73/760335773.db2.gz XAEDJXZKAGTWCV-SJORKVTESA-N 1 0 358.404 3.065 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779022828 724381914 /nfs/dbraw/zinc/38/19/14/724381914.db2.gz IIRZUWSHXYUODH-GFCCVEGCSA-N 1 0 362.367 3.154 20 10 FGCDRO Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)no1 ZINC000577016815 505645691 /nfs/dbraw/zinc/64/56/91/505645691.db2.gz DIRJDKKLXSMBMU-UHFFFAOYSA-N 1 0 366.465 3.021 20 10 FGCDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000068644725 493848883 /nfs/dbraw/zinc/84/88/83/493848883.db2.gz DAMDJHJMMYAYNG-KGHZBTQCSA-N 1 0 367.453 3.497 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089513461 494319219 /nfs/dbraw/zinc/31/92/19/494319219.db2.gz UJEKYOPHLKQHHI-CQSZACIVSA-N 1 0 359.401 3.421 20 10 FGCDRO O=C(c1ccccn1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000057103829 494642825 /nfs/dbraw/zinc/64/28/25/494642825.db2.gz HASXHACCKCKUSY-UHFFFAOYSA-N 1 0 361.445 3.289 20 10 FGCDRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000093480533 494895782 /nfs/dbraw/zinc/89/57/82/494895782.db2.gz QTHAQIHMDFNUBQ-QGZVFWFLSA-N 1 0 370.449 3.321 20 10 FGCDRO COCCCOC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093561240 494900704 /nfs/dbraw/zinc/90/07/04/494900704.db2.gz OUKGEHGVCHPRSU-UHFFFAOYSA-N 1 0 358.276 3.172 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000093740699 494916634 /nfs/dbraw/zinc/91/66/34/494916634.db2.gz OVBYLLKIYOTPRL-UHFFFAOYSA-N 1 0 368.433 3.306 20 10 FGCDRO CN(Cc1cccs1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971041 495017768 /nfs/dbraw/zinc/01/77/68/495017768.db2.gz RPOKUMRFNGLDEA-KRWDZBQOSA-N 1 0 374.506 3.093 20 10 FGCDRO CN(Cc1cccs1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971042 495017843 /nfs/dbraw/zinc/01/78/43/495017843.db2.gz RPOKUMRFNGLDEA-QGZVFWFLSA-N 1 0 374.506 3.093 20 10 FGCDRO Cc1cccnc1[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000118840074 495045713 /nfs/dbraw/zinc/04/57/13/495045713.db2.gz ZDYJMBOSMFFXJI-FQEVSTJZSA-N 1 0 354.498 3.059 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1F ZINC000120901614 495481117 /nfs/dbraw/zinc/48/11/17/495481117.db2.gz KDSFSYQKRRYDKH-UHFFFAOYSA-N 1 0 353.445 3.314 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179738687 495711747 /nfs/dbraw/zinc/71/17/47/495711747.db2.gz ORJZPEPQECRDAB-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000179762734 495723647 /nfs/dbraw/zinc/72/36/47/495723647.db2.gz SLUKVJRSLCPOFI-UHFFFAOYSA-N 1 0 370.449 3.260 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)n1-c1ccccn1 ZINC000154795582 495731403 /nfs/dbraw/zinc/73/14/03/495731403.db2.gz NXTTVFGTAKRXJU-MJGOQNOKSA-N 1 0 352.482 3.045 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000179848203 495757881 /nfs/dbraw/zinc/75/78/81/495757881.db2.gz JTULJCNSRROGKO-UHFFFAOYSA-N 1 0 355.438 3.187 20 10 FGCDRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000183006714 495795657 /nfs/dbraw/zinc/79/56/57/495795657.db2.gz ACVGRMFOQDJQOA-IIBYNOLFSA-N 1 0 366.509 3.375 20 10 FGCDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000186049941 495836705 /nfs/dbraw/zinc/83/67/05/495836705.db2.gz WKOSKWGIGWZZDO-BEFAXECRSA-N 1 0 354.450 3.161 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1O ZINC000183386267 495958264 /nfs/dbraw/zinc/95/82/64/495958264.db2.gz OIBBIYAXQLHRAD-MRXNPFEDSA-N 1 0 374.506 3.418 20 10 FGCDRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cc(F)ccc1O ZINC000186350167 495959864 /nfs/dbraw/zinc/95/98/64/495959864.db2.gz XMMXGZADYWDEDS-SCLBCKFNSA-N 1 0 357.429 3.154 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1O ZINC000183449016 495988911 /nfs/dbraw/zinc/98/89/11/495988911.db2.gz CIEDCSNXLPBWPA-CQSZACIVSA-N 1 0 362.495 3.320 20 10 FGCDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180664335 496093804 /nfs/dbraw/zinc/09/38/04/496093804.db2.gz FHERMLLRUOYGHJ-PKNBQFBNSA-N 1 0 354.450 3.268 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)COc3cccc(C)c3)CC2)cc1 ZINC000152893393 496288592 /nfs/dbraw/zinc/28/85/92/496288592.db2.gz PJYCWKLDHANZFX-HXUWFJFHSA-N 1 0 370.493 3.002 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172549143 496336922 /nfs/dbraw/zinc/33/69/22/496336922.db2.gz CKHHWFWNFPYMRP-HXUWFJFHSA-N 1 0 370.541 3.447 20 10 FGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157024688 496389068 /nfs/dbraw/zinc/38/90/68/496389068.db2.gz JSWMEGGZKIBZIG-IFXJQAMLSA-N 1 0 364.486 3.282 20 10 FGCDRO COc1cccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c1O ZINC000187571061 496494215 /nfs/dbraw/zinc/49/42/15/496494215.db2.gz QUHKLOAQHORNKA-UHFFFAOYSA-N 1 0 356.344 3.069 20 10 FGCDRO COc1cc(O)c(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1OC ZINC000184789760 496532291 /nfs/dbraw/zinc/53/22/91/496532291.db2.gz LYHHRAAASFPDPO-SFHVURJKSA-N 1 0 357.450 3.183 20 10 FGCDRO C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cc(F)ccc1O ZINC000184965368 496603288 /nfs/dbraw/zinc/60/32/88/496603288.db2.gz ZUYINYWXUPOSMO-HNNXBMFYSA-N 1 0 371.456 3.285 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184983572 496610507 /nfs/dbraw/zinc/61/05/07/496610507.db2.gz VNMAWJHXQBUUKY-GFCCVEGCSA-N 1 0 360.329 3.376 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185049021 496637101 /nfs/dbraw/zinc/63/71/01/496637101.db2.gz AFVLCIFCORSCSK-BEFAXECRSA-N 1 0 354.450 3.415 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c1 ZINC000154044886 496666152 /nfs/dbraw/zinc/66/61/52/496666152.db2.gz XXFXPSSHJTZJJA-UHFFFAOYSA-N 1 0 352.438 3.397 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1C ZINC000273417094 496800327 /nfs/dbraw/zinc/80/03/27/496800327.db2.gz RBDRHTFDXVADIE-OAHLLOKOSA-N 1 0 362.495 3.110 20 10 FGCDRO COc1ccc(O)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000273545530 496836203 /nfs/dbraw/zinc/83/62/03/496836203.db2.gz ZIRNOIMDXWVEPO-GOEBONIOSA-N 1 0 356.470 3.109 20 10 FGCDRO CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccccc1O ZINC000274963039 497206328 /nfs/dbraw/zinc/20/63/28/497206328.db2.gz XAFJRAVRAALSBW-HKUYNNGSSA-N 1 0 351.450 3.272 20 10 FGCDRO COc1ccc(-n2c(C)cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C)cc1 ZINC000237445467 497238236 /nfs/dbraw/zinc/23/82/36/497238236.db2.gz BDLWUEGJSAOZKP-SJPCQFCGSA-N 1 0 353.466 3.116 20 10 FGCDRO Fc1cc(C[NH2+]C2CCN(c3ccccc3)CC2)ccc1N1CCOCC1 ZINC000237844590 497301650 /nfs/dbraw/zinc/30/16/50/497301650.db2.gz GOKVDLSIKPFZDO-UHFFFAOYSA-N 1 0 369.484 3.421 20 10 FGCDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271795604 497452806 /nfs/dbraw/zinc/45/28/06/497452806.db2.gz HUFQULCFLLSDKY-XCLFUZPHSA-N 1 0 361.438 3.284 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(C)cc1O ZINC000280022127 497622996 /nfs/dbraw/zinc/62/29/96/497622996.db2.gz HMGRTQCAVCQPOZ-SFHVURJKSA-N 1 0 368.543 3.192 20 10 FGCDRO COc1cccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280154365 497665329 /nfs/dbraw/zinc/66/53/29/497665329.db2.gz DXBQFPRAYDCFNN-ZDUSSCGKSA-N 1 0 357.328 3.123 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000295953208 497866756 /nfs/dbraw/zinc/86/67/56/497866756.db2.gz ITXWYSSWNXVRFV-NJNPRVFISA-N 1 0 374.525 3.070 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@]4(CCOC4)OC(C)(C)C3)cc2)CC1 ZINC000296087395 497915733 /nfs/dbraw/zinc/91/57/33/497915733.db2.gz SZQKZQKFVFIGBL-QFIPXVFZSA-N 1 0 374.525 3.072 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cc(Br)ccc1O ZINC000280890548 497937549 /nfs/dbraw/zinc/93/75/49/497937549.db2.gz FBERNFBKVFUGGT-XJKSGUPXSA-N 1 0 369.303 3.454 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1OC ZINC000285222248 498025667 /nfs/dbraw/zinc/02/56/67/498025667.db2.gz UYFUAIGMKBBMEB-QYZOEREBSA-N 1 0 369.461 3.414 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccc2ccccc2c1O ZINC000360167317 498252120 /nfs/dbraw/zinc/25/21/20/498252120.db2.gz ZQGQSZCUOPAAPU-LIRRHRJNSA-N 1 0 351.450 3.462 20 10 FGCDRO CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000285992333 498261560 /nfs/dbraw/zinc/26/15/60/498261560.db2.gz HBVOAYVHHUOFPE-GBESFXJTSA-N 1 0 350.478 3.340 20 10 FGCDRO COc1ccc([C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)N(C)C)cc1OC ZINC000296992923 498280233 /nfs/dbraw/zinc/28/02/33/498280233.db2.gz SKMFJEGGYHAHMR-DLBZAZTESA-N 1 0 356.466 3.289 20 10 FGCDRO COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000286227363 498330537 /nfs/dbraw/zinc/33/05/37/498330537.db2.gz SRQZYOVJGSMHKE-CQSZACIVSA-N 1 0 360.479 3.222 20 10 FGCDRO [O-]c1c(Br)cccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298119062 498669195 /nfs/dbraw/zinc/66/91/95/498669195.db2.gz OZLTXYQJBBSQJK-UHFFFAOYSA-N 1 0 362.271 3.308 20 10 FGCDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287355698 498728017 /nfs/dbraw/zinc/72/80/17/498728017.db2.gz HBTLKIUQXWAQLH-MRXNPFEDSA-N 1 0 350.478 3.398 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000287447468 498758960 /nfs/dbraw/zinc/75/89/60/498758960.db2.gz UWCOQPFWXMQEPH-LLVKDONJSA-N 1 0 354.248 3.101 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000287616979 498814620 /nfs/dbraw/zinc/81/46/20/498814620.db2.gz JQAHSDKLJOSNAV-SJLPKXTDSA-N 1 0 372.431 3.095 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000283488353 498902437 /nfs/dbraw/zinc/90/24/37/498902437.db2.gz XTDOUOWTSMECIG-KLHJMIIUSA-N 1 0 359.510 3.489 20 10 FGCDRO COc1c(O)c(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000295137252 498923005 /nfs/dbraw/zinc/92/30/05/498923005.db2.gz YZXZPBXCULILLW-OAHLLOKOSA-N 1 0 366.801 3.128 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](n4cc(C)cn4)C3)cc2)CC1 ZINC000295275934 498963565 /nfs/dbraw/zinc/96/35/65/498963565.db2.gz ZVYNSBRRQRZQCY-FQEVSTJZSA-N 1 0 354.498 3.254 20 10 FGCDRO COC1CCN(c2ccc(C[N@H+]3CC=C(c4ccnn4C)CC3)cc2)CC1 ZINC000295331552 498981884 /nfs/dbraw/zinc/98/18/84/498981884.db2.gz PALUVJJMMHOIFD-UHFFFAOYSA-N 1 0 366.509 3.325 20 10 FGCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C2 ZINC000363871025 499033502 /nfs/dbraw/zinc/03/35/02/499033502.db2.gz ZIXWEVCUDAXDCF-HZMBPMFUSA-N 1 0 362.271 3.461 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1O ZINC000367068204 499143136 /nfs/dbraw/zinc/14/31/36/499143136.db2.gz PXTZTGHJAOLRSJ-DRZCJDIDSA-N 1 0 367.287 3.171 20 10 FGCDRO Cc1cc(C(=O)N2CCCC23CC[NH+](C)CC3)c(C)n1-c1ccccn1 ZINC000367353253 499186952 /nfs/dbraw/zinc/18/69/52/499186952.db2.gz HGNZCFYJBXGNPE-UHFFFAOYSA-N 1 0 352.482 3.190 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(Cl)c1[O-] ZINC000367897046 499242863 /nfs/dbraw/zinc/24/28/63/499242863.db2.gz QOQCJQDHLJZAAX-YOEHRIQHSA-N 1 0 359.857 3.396 20 10 FGCDRO CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000371335995 499312697 /nfs/dbraw/zinc/31/26/97/499312697.db2.gz MYNKVAMMJCZOPK-INIZCTEOSA-N 1 0 372.340 3.299 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(C)n2c1CCCC2 ZINC000371425591 499325099 /nfs/dbraw/zinc/32/50/99/499325099.db2.gz MGPKETZPXUXPOO-UHFFFAOYSA-N 1 0 369.513 3.326 20 10 FGCDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000371697807 499356572 /nfs/dbraw/zinc/35/65/72/499356572.db2.gz BOQODZSJRAHHGG-GOSISDBHSA-N 1 0 374.481 3.124 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCC(c3nc(C(F)(F)F)c[nH]3)CC1)OCO2 ZINC000371812327 499368281 /nfs/dbraw/zinc/36/82/81/499368281.db2.gz DWWZGWBMOUOYMU-UHFFFAOYSA-N 1 0 369.343 3.242 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000375877110 499564093 /nfs/dbraw/zinc/56/40/93/499564093.db2.gz WXDMSDIYXNHBEI-WMZOPIPTSA-N 1 0 354.498 3.072 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377865550 499743576 /nfs/dbraw/zinc/74/35/76/499743576.db2.gz SORRPHGUKXEINE-QGZVFWFLSA-N 1 0 369.509 3.496 20 10 FGCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000486106917 502047956 /nfs/dbraw/zinc/04/79/56/502047956.db2.gz PNRMAUBBEQQRBQ-SFHVURJKSA-N 1 0 371.525 3.366 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000472178693 502259680 /nfs/dbraw/zinc/25/96/80/502259680.db2.gz ZBUQTGBLKRFPHM-UHFFFAOYSA-N 1 0 356.514 3.408 20 10 FGCDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472223674 502275775 /nfs/dbraw/zinc/27/57/75/502275775.db2.gz UOUKWJIVAKVVQL-IAGOWNOFSA-N 1 0 354.498 3.255 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CSC[C@@H]2C)C1 ZINC000552669027 505530004 /nfs/dbraw/zinc/53/00/04/505530004.db2.gz YMXRNNXEBDTTFF-MAUKXSAKSA-N 1 0 371.550 3.276 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(=O)[nH]c2)C1 ZINC000562269292 505557640 /nfs/dbraw/zinc/55/76/40/505557640.db2.gz NIBTUNUQNWQSSU-UHFFFAOYSA-N 1 0 364.449 3.147 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C3CC3)C2)C1 ZINC000643285373 568527552 /nfs/dbraw/zinc/52/75/52/568527552.db2.gz HGUDQYCRMUTUQH-UHFFFAOYSA-N 1 0 351.494 3.276 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826268920 609336447 /nfs/dbraw/zinc/33/64/47/609336447.db2.gz SWJYJTRLFDDWKN-CYBMUJFWSA-N 1 0 354.433 3.231 20 10 FGCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093741989 700453951 /nfs/dbraw/zinc/45/39/51/700453951.db2.gz VDVJDEODVGDEOO-ZDUSSCGKSA-N 1 0 371.319 3.327 20 10 FGCDRO O=C(Cc1ccsc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134264168 704818349 /nfs/dbraw/zinc/81/83/49/704818349.db2.gz ANWTZKDKZVKXJS-MRXNPFEDSA-N 1 0 364.898 3.430 20 10 FGCDRO CC1(C)CC(NC(=O)NCCCSc2nccs2)CC(C)(C)[NH2+]1 ZINC000151571177 704929065 /nfs/dbraw/zinc/92/90/65/704929065.db2.gz UWLDBCYTXMUOKE-UHFFFAOYSA-N 1 0 356.561 3.234 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000182457218 705844153 /nfs/dbraw/zinc/84/41/53/705844153.db2.gz FITOFNRIPZWIGJ-JTQLQIEISA-N 1 0 359.451 3.166 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCSCC1 ZINC000187051228 712731719 /nfs/dbraw/zinc/73/17/19/712731719.db2.gz HSXBWSRILPDKJE-CQSZACIVSA-N 1 0 352.519 3.408 20 10 FGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356532 712858193 /nfs/dbraw/zinc/85/81/93/712858193.db2.gz QBYQVKLKKHIHDA-IBGZPJMESA-N 1 0 360.885 3.426 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCS(C)(=O)=O)cc1 ZINC000236961291 713586394 /nfs/dbraw/zinc/58/63/94/713586394.db2.gz BMFOSHRPDAYPTO-UHFFFAOYSA-N 1 0 360.523 3.237 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000310808003 713800897 /nfs/dbraw/zinc/80/08/97/713800897.db2.gz ARPLBBXALSALMO-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(Br)ccc1O ZINC000779065795 724386635 /nfs/dbraw/zinc/38/66/35/724386635.db2.gz PUBAEYRYEBZPKE-GXTWGEPZSA-N 1 0 350.260 3.407 20 10 FGCDRO CC1(C)CN(C2(C[NH2+]Cc3cc(F)ccc3O)CCCCC2)CCO1 ZINC000779079256 724388668 /nfs/dbraw/zinc/38/86/68/724388668.db2.gz WCUMTPYOQBTGIO-UHFFFAOYSA-N 1 0 350.478 3.435 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000779196021 724399300 /nfs/dbraw/zinc/39/93/00/724399300.db2.gz NCRLZPAWLJNJMI-OAHLLOKOSA-N 1 0 357.420 3.033 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+](CC)C(C)C)cc1F ZINC000731364998 722474746 /nfs/dbraw/zinc/47/47/46/722474746.db2.gz YCWKNSDGLCVURV-UHFFFAOYSA-N 1 0 352.498 3.201 20 10 FGCDRO CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000743873026 722572257 /nfs/dbraw/zinc/57/22/57/722572257.db2.gz GOQLYLUDBMHTCM-CYBMUJFWSA-N 1 0 369.303 3.235 20 10 FGCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CCC1 ZINC000754101511 722927532 /nfs/dbraw/zinc/92/75/32/722927532.db2.gz GHZZKSWQUBQLFE-LBPRGKRZSA-N 1 0 369.303 3.420 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000754729947 722945049 /nfs/dbraw/zinc/94/50/49/722945049.db2.gz HJUOYJAAFRSAKM-AWEZNQCLSA-N 1 0 350.459 3.056 20 10 FGCDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)cc1 ZINC000756394193 722963825 /nfs/dbraw/zinc/96/38/25/722963825.db2.gz CGRYWFQVAQBHCH-LLVKDONJSA-N 1 0 363.255 3.365 20 10 FGCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(Br)ccc1O ZINC000756478980 722965365 /nfs/dbraw/zinc/96/53/65/722965365.db2.gz KJXUENHJRTUJPU-NSHDSACASA-N 1 0 364.243 3.229 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000756492982 722965567 /nfs/dbraw/zinc/96/55/67/722965567.db2.gz BJCGCMPWZGLWKX-RYUDHWBXSA-N 1 0 352.431 3.315 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1O ZINC000756502696 722965766 /nfs/dbraw/zinc/96/57/66/722965766.db2.gz KSGVSSBSVCCDBM-MWLCHTKSSA-N 1 0 367.209 3.442 20 10 FGCDRO C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Br)ccc1O ZINC000756649345 722968188 /nfs/dbraw/zinc/96/81/88/722968188.db2.gz OZVNIWPWJLVMSW-SNVBAGLBSA-N 1 0 371.275 3.425 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c2c1c(F)ccc2O ZINC000756743845 722969426 /nfs/dbraw/zinc/96/94/26/722969426.db2.gz WWAJZXILGGFXEI-XHDPSFHLSA-N 1 0 361.438 3.199 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Br)ccc1O ZINC000756788554 722970113 /nfs/dbraw/zinc/97/01/13/722970113.db2.gz WGLCVBARYANDRF-DGCLKSJQSA-N 1 0 356.260 3.491 20 10 FGCDRO COc1ccc(C[N@H+](C)Cc2cc(Br)cc(C)c2O)cn1 ZINC000757912742 722981128 /nfs/dbraw/zinc/98/11/28/722981128.db2.gz DLHKFPHMOIRJFP-UHFFFAOYSA-N 1 0 351.244 3.499 20 10 FGCDRO C[C@@H]1CCC[C@@](CNC(=O)NCCCSc2nccs2)([NH+](C)C)C1 ZINC000759567476 723009304 /nfs/dbraw/zinc/00/93/04/723009304.db2.gz HMFLMPAMSHVKQH-RHSMWYFYSA-N 1 0 370.588 3.435 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000761216805 723133984 /nfs/dbraw/zinc/13/39/84/723133984.db2.gz XVOSAGCYIPEPAG-GOSISDBHSA-N 1 0 351.805 3.287 20 10 FGCDRO CCCN(Cc1c(Br)c(C)nn1C)c1ccc(C[NH3+])cc1 ZINC000790926700 723194364 /nfs/dbraw/zinc/19/43/64/723194364.db2.gz OJFMZLFVKCZZKH-UHFFFAOYSA-N 1 0 351.292 3.366 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000762481048 723246934 /nfs/dbraw/zinc/24/69/34/723246934.db2.gz OFZYOEKGDDMIFI-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)c(C(F)(F)F)c1 ZINC000793082690 723398331 /nfs/dbraw/zinc/39/83/31/723398331.db2.gz OQIJSQAVGDVCQK-QGZVFWFLSA-N 1 0 360.420 3.039 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1O ZINC000793599666 723453054 /nfs/dbraw/zinc/45/30/54/723453054.db2.gz IAEZYOQFWVKRIW-LLVKDONJSA-N 1 0 358.866 3.447 20 10 FGCDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038638 723472268 /nfs/dbraw/zinc/47/22/68/723472268.db2.gz NIARKOIYDLKYKV-ULQDDVLXSA-N 1 0 363.933 3.454 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCOC1 ZINC000765125451 723482549 /nfs/dbraw/zinc/48/25/49/723482549.db2.gz FHWYRLIELZRODV-GFIVTLFCSA-N 1 0 350.478 3.344 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCOC1 ZINC000765125452 723482613 /nfs/dbraw/zinc/48/26/13/723482613.db2.gz FHWYRLIELZRODV-HIRMHNASSA-N 1 0 350.478 3.344 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000794836053 723548509 /nfs/dbraw/zinc/54/85/09/723548509.db2.gz RKCPKUYWUOMNSD-ZYHUDNBSSA-N 1 0 373.266 3.203 20 10 FGCDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766533634 723579204 /nfs/dbraw/zinc/57/92/04/723579204.db2.gz BSGYWCTYPZISHI-BFYDXBDKSA-N 1 0 368.905 3.021 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000767710211 723630623 /nfs/dbraw/zinc/63/06/23/723630623.db2.gz FIZDTTDTTQJXEE-CQSZACIVSA-N 1 0 353.384 3.367 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000770285207 723710370 /nfs/dbraw/zinc/71/03/70/723710370.db2.gz DSUOVGVUKUVWDA-FZMZJTMJSA-N 1 0 356.260 3.164 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773045312 723775256 /nfs/dbraw/zinc/77/52/56/723775256.db2.gz QNWQCHFFCSNDTP-DNVCBOLYSA-N 1 0 350.478 3.254 20 10 FGCDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043635 723775261 /nfs/dbraw/zinc/77/52/61/723775261.db2.gz DTJQERZUDPJLFH-PBHICJAKSA-N 1 0 364.486 3.416 20 10 FGCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798004132 723897628 /nfs/dbraw/zinc/89/76/28/723897628.db2.gz KARPXJKUFNQVHF-SHACYNPGSA-N 1 0 370.946 3.128 20 10 FGCDRO COc1c(O)c(C[NH2+]Cc2sccc2Br)ccc1[N+](=O)[O-] ZINC000775012809 723952038 /nfs/dbraw/zinc/95/20/38/723952038.db2.gz IOKHTWHWOYMSBW-UHFFFAOYSA-N 1 0 373.228 3.423 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1O ZINC000775180020 723968847 /nfs/dbraw/zinc/96/88/47/723968847.db2.gz ISESBUMRKMWAJE-UHFFFAOYSA-N 1 0 362.773 3.129 20 10 FGCDRO CC[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775413556 723988962 /nfs/dbraw/zinc/98/89/62/723988962.db2.gz GGYJLXYMVBHABQ-HOCLYGCPSA-N 1 0 363.255 3.422 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1O ZINC000775527553 723998545 /nfs/dbraw/zinc/99/85/45/723998545.db2.gz RAPYHCFKXSJXJT-HUUCEWRRSA-N 1 0 362.861 3.015 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000775662762 724019197 /nfs/dbraw/zinc/01/91/97/724019197.db2.gz HQAMMQBJUNGCJE-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1O ZINC000775727772 724032006 /nfs/dbraw/zinc/03/20/06/724032006.db2.gz YGOGMSNNFXAZHC-INIZCTEOSA-N 1 0 370.287 3.233 20 10 FGCDRO COCCN1CC[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC000800276712 724174129 /nfs/dbraw/zinc/17/41/29/724174129.db2.gz QCLNKBMUCAEDLD-WMZOPIPTSA-N 1 0 365.949 3.387 20 10 FGCDRO Oc1cc2c(cc1C[NH2+][C@]1(Cc3ccc(Cl)cc3)CCOC1)OCO2 ZINC000800311464 724179916 /nfs/dbraw/zinc/17/99/16/724179916.db2.gz NPEYKUGGUISNRT-IBGZPJMESA-N 1 0 361.825 3.266 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000776865846 724190438 /nfs/dbraw/zinc/19/04/38/724190438.db2.gz VIDGYAYXBSMXDB-KKUMJFAQSA-N 1 0 350.459 3.308 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2Cl)C1 ZINC000800493763 724202992 /nfs/dbraw/zinc/20/29/92/724202992.db2.gz QECBKUIOYNDDAT-GDBMZVCRSA-N 1 0 370.946 3.243 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000784682794 724872041 /nfs/dbraw/zinc/87/20/41/724872041.db2.gz MFZRXEMBBDRMAT-CVEARBPZSA-N 1 0 356.260 3.211 20 10 FGCDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000788979418 725100380 /nfs/dbraw/zinc/10/03/80/725100380.db2.gz FWNPRJNBCAJOSI-LLVKDONJSA-N 1 0 352.784 3.364 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1O ZINC000808681154 725213318 /nfs/dbraw/zinc/21/33/18/725213318.db2.gz VQCWUTUNBCINJD-CYBMUJFWSA-N 1 0 353.871 3.479 20 10 FGCDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1 ZINC000808704461 725214339 /nfs/dbraw/zinc/21/43/39/725214339.db2.gz RKVKPBWPCVFTDS-ZDUSSCGKSA-N 1 0 362.857 3.443 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000809722906 725262651 /nfs/dbraw/zinc/26/26/51/725262651.db2.gz MOPITEJKLXVFDL-MRXNPFEDSA-N 1 0 350.256 3.156 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000809767804 725266729 /nfs/dbraw/zinc/26/67/29/725266729.db2.gz UOESEPKYJPPDGZ-SWLSCSKDSA-N 1 0 369.303 3.079 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000810144847 725292504 /nfs/dbraw/zinc/29/25/04/725292504.db2.gz JJNTVXWXEBITJJ-UHFFFAOYSA-N 1 0 362.227 3.101 20 10 FGCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000819760273 728942880 /nfs/dbraw/zinc/94/28/80/728942880.db2.gz CDLRQJHTKPYELV-MRXNPFEDSA-N 1 0 351.487 3.291 20 10 FGCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000815633852 727087936 /nfs/dbraw/zinc/08/79/36/727087936.db2.gz XUNSBQFSBIGZGA-VXGBXAGGSA-N 1 0 357.292 3.358 20 10 FGCDRO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816545589 727173671 /nfs/dbraw/zinc/17/36/71/727173671.db2.gz XDXFVIOVXOAKQD-UHFFFAOYSA-N 1 0 355.459 3.380 20 10 FGCDRO Cc1cccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000816668010 727187985 /nfs/dbraw/zinc/18/79/85/727187985.db2.gz BZZBRXJMWMFENJ-UHFFFAOYSA-N 1 0 353.871 3.308 20 10 FGCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000817419915 727249988 /nfs/dbraw/zinc/24/99/88/727249988.db2.gz MQLAGSGCMOIJMZ-CYBMUJFWSA-N 1 0 360.420 3.445 20 10 FGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)CCOCC1 ZINC000817589586 727268997 /nfs/dbraw/zinc/26/89/97/727268997.db2.gz ZCFKFHIYLRYESM-VXGBXAGGSA-N 1 0 358.276 3.389 20 10 FGCDRO C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817899389 727287374 /nfs/dbraw/zinc/28/73/74/727287374.db2.gz LMLVUBMZWHOHQS-IIDMSEBBSA-N 1 0 353.457 3.377 20 10 FGCDRO C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817963987 727289708 /nfs/dbraw/zinc/28/97/08/727289708.db2.gz ZXGLYSJXBQGCIZ-SFYZADRCSA-N 1 0 366.097 3.163 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1F ZINC000818964345 727331714 /nfs/dbraw/zinc/33/17/14/727331714.db2.gz SAYAJGQUBGGEED-IBGZPJMESA-N 1 0 364.461 3.341 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Cl ZINC000818972724 727332837 /nfs/dbraw/zinc/33/28/37/727332837.db2.gz IKPBKYZNJGGGLE-LJQANCHMSA-N 1 0 364.848 3.139 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)COc1c(Cl)cccc1Cl ZINC000818997336 727336107 /nfs/dbraw/zinc/33/61/07/727336107.db2.gz YEYHTUJFNGBDEY-CQSZACIVSA-N 1 0 368.260 3.458 20 10 FGCDRO O[C@H](C[NH2+]CCCSc1nccs1)COc1ccc(Cl)cc1 ZINC000819064044 727343733 /nfs/dbraw/zinc/34/37/33/727343733.db2.gz SVOYBFPKCOCSQU-CYBMUJFWSA-N 1 0 358.916 3.308 20 10 FGCDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404092 729276566 /nfs/dbraw/zinc/27/65/66/729276566.db2.gz LNLCGLMERSORKP-WBVHZDCISA-N 1 0 357.523 3.470 20 10 FGCDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000823671229 729297667 /nfs/dbraw/zinc/29/76/67/729297667.db2.gz KHWAKTHVXZWTFV-CYGHRXIMSA-N 1 0 350.478 3.487 20 10 FGCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823676827 729298063 /nfs/dbraw/zinc/29/80/63/729298063.db2.gz JTCAYOTZRXUJJE-MRXNPFEDSA-N 1 0 357.523 3.485 20 10 FGCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824037303 729317051 /nfs/dbraw/zinc/31/70/51/729317051.db2.gz IUXWMUPNMUQHJE-OALUTQOASA-N 1 0 357.523 3.389 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCCC2CCOCC2)c1O ZINC000824477374 729341743 /nfs/dbraw/zinc/34/17/43/729341743.db2.gz QRHIGMQRWHCYBT-UHFFFAOYSA-N 1 0 358.276 3.460 20 10 FGCDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000824593557 729349408 /nfs/dbraw/zinc/34/94/08/729349408.db2.gz PXRWYXXKZMPOBC-LBPRGKRZSA-N 1 0 352.232 3.226 20 10 FGCDRO FC(F)(F)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000824589918 729349437 /nfs/dbraw/zinc/34/94/37/729349437.db2.gz KGHXXEJEHANOEZ-UHFFFAOYSA-N 1 0 351.372 3.227 20 10 FGCDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000824799963 729359505 /nfs/dbraw/zinc/35/95/05/729359505.db2.gz SEOZFZLMJPNOFC-FXAWDEMLSA-N 1 0 350.478 3.203 20 10 FGCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(Br)cc2O)cc1 ZINC000824813987 729359963 /nfs/dbraw/zinc/35/99/63/729359963.db2.gz KJDVISNJHJLZHX-INIZCTEOSA-N 1 0 366.255 3.329 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000825091004 729370269 /nfs/dbraw/zinc/37/02/69/729370269.db2.gz QRSBRHVRRHZWCO-ZDUSSCGKSA-N 1 0 358.276 3.146 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1O)Cc1ccc(F)cc1 ZINC000825130720 729372225 /nfs/dbraw/zinc/37/22/25/729372225.db2.gz DSFUITXBTDQFDI-ZDUSSCGKSA-N 1 0 368.246 3.235 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1Cl ZINC000825179121 729373753 /nfs/dbraw/zinc/37/37/53/729373753.db2.gz SVNMCNBYNQCTLT-UHFFFAOYSA-N 1 0 359.857 3.143 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1Cl ZINC000825303315 729377743 /nfs/dbraw/zinc/37/77/43/729377743.db2.gz HIKMFPOSDUYEQR-FQEVSTJZSA-N 1 0 360.885 3.081 20 10 FGCDRO CCOC(=O)C1(COC)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825752462 729394155 /nfs/dbraw/zinc/39/41/55/729394155.db2.gz AYWCIHVFXVCDEZ-UHFFFAOYSA-N 1 0 355.862 3.146 20 10 FGCDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CCOCC1 ZINC000826872880 729417624 /nfs/dbraw/zinc/41/76/24/729417624.db2.gz ZGYSEZULEIAAQW-KRWDZBQOSA-N 1 0 360.420 3.303 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000832271980 729701284 /nfs/dbraw/zinc/70/12/84/729701284.db2.gz BANUPKKGXPNIEK-ZWKOTPCHSA-N 1 0 355.507 3.148 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000832274045 729701568 /nfs/dbraw/zinc/70/15/68/729701568.db2.gz RIPKTUIEDMRHBD-OFQRWUPVSA-N 1 0 357.420 3.237 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(Br)s2)cc1 ZINC000832285415 729702576 /nfs/dbraw/zinc/70/25/76/729702576.db2.gz QIQCIKTUNLQMAW-GFCCVEGCSA-N 1 0 368.300 3.006 20 10 FGCDRO Cc1cc(C(=O)N(C)CCC[NH3+])c(C)n1-c1ccccc1Br ZINC000832781899 729731731 /nfs/dbraw/zinc/73/17/31/729731731.db2.gz NAXUIXHFXXLSGZ-UHFFFAOYSA-N 1 0 364.287 3.277 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000834828414 729837577 /nfs/dbraw/zinc/83/75/77/729837577.db2.gz UACOIDOVFQKERT-QFBILLFUSA-N 1 0 358.507 3.364 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Br)ccc1O ZINC000834849782 729838910 /nfs/dbraw/zinc/83/89/10/729838910.db2.gz FLCJBMVEFVIZBR-ZBFHGGJFSA-N 1 0 371.319 3.042 20 10 FGCDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841743159 730269869 /nfs/dbraw/zinc/26/98/69/730269869.db2.gz DJKDBCUVKXFOSQ-PIGZYNQJSA-N 1 0 351.830 3.447 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841763743 730271867 /nfs/dbraw/zinc/27/18/67/730271867.db2.gz AJIJKRWYZCVTOM-JQWIXIFHSA-N 1 0 363.246 3.453 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841855567 730281339 /nfs/dbraw/zinc/28/13/39/730281339.db2.gz BNQFVIYVUUQEON-GJZGRUSLSA-N 1 0 368.572 3.047 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CCC[NH3+])cc2Cl)C1 ZINC000841897934 730284135 /nfs/dbraw/zinc/28/41/35/730284135.db2.gz ZBFODYDGWITIHQ-CQSZACIVSA-N 1 0 352.910 3.067 20 10 FGCDRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC000841897196 730284172 /nfs/dbraw/zinc/28/41/72/730284172.db2.gz RLIVXJWXKNVMDC-ZBFHGGJFSA-N 1 0 364.921 3.080 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c(C(F)(F)F)c1 ZINC000841898583 730284283 /nfs/dbraw/zinc/28/42/83/730284283.db2.gz OIIUAZXPZNUVBS-LBPRGKRZSA-N 1 0 351.363 3.200 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCSc2ccc(F)cc2)cc1 ZINC000843298725 730605800 /nfs/dbraw/zinc/60/58/00/730605800.db2.gz NYZRVLBNJAWGSC-SFHVURJKSA-N 1 0 361.486 3.190 20 10 FGCDRO COc1ccc(Cl)cc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350162 730609443 /nfs/dbraw/zinc/60/94/43/730609443.db2.gz NUTZRPWOWPUBRG-UHFFFAOYSA-N 1 0 359.857 3.199 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC([C@@H](C)CO)CC2)c1O ZINC000846058182 730924238 /nfs/dbraw/zinc/92/42/38/730924238.db2.gz MXGUKERALXNFOH-NSHDSACASA-N 1 0 358.276 3.004 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)c1O ZINC000846143740 730931774 /nfs/dbraw/zinc/93/17/74/730931774.db2.gz GVPBAPXYKGAULX-CYBMUJFWSA-N 1 0 350.459 3.451 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000848527934 731175673 /nfs/dbraw/zinc/17/56/73/731175673.db2.gz AHZMIOYXWLPRLN-GMXVVIOVSA-N 1 0 357.292 3.297 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)c1O ZINC000848552792 731180616 /nfs/dbraw/zinc/18/06/16/731180616.db2.gz NNIXSHUOKOMXJM-VHSXEESVSA-N 1 0 354.248 3.309 20 10 FGCDRO CCOC(=O)CC[N@H+](Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000848927781 731222189 /nfs/dbraw/zinc/22/21/89/731222189.db2.gz NNUMODCNBWNTTQ-UHFFFAOYSA-N 1 0 374.275 3.327 20 10 FGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850033792 731311634 /nfs/dbraw/zinc/31/16/34/731311634.db2.gz FDZIGIYHOQROGC-UHFFFAOYSA-N 1 0 370.444 3.282 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn4cc(Cl)ccc4n3)C2)cc1 ZINC000850347686 731345415 /nfs/dbraw/zinc/34/54/15/731345415.db2.gz VWUYNVUILMPJBD-HNNXBMFYSA-N 1 0 356.857 3.365 20 10 FGCDRO c1ccc2c(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)nsc2c1 ZINC000850401264 731352756 /nfs/dbraw/zinc/35/27/56/731352756.db2.gz YFOXJMNONBBNFR-UHFFFAOYSA-N 1 0 353.491 3.465 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1O ZINC000850421500 731355418 /nfs/dbraw/zinc/35/54/18/731355418.db2.gz YAULOMJLKPUHKG-BDJLRTHQSA-N 1 0 366.255 3.375 20 10 FGCDRO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O)[C@@H]1CCOC1 ZINC000850484717 731361576 /nfs/dbraw/zinc/36/15/76/731361576.db2.gz OXLFGKJYFYUXIP-YWPYICTPSA-N 1 0 358.276 3.165 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)C2)cc1 ZINC000850488151 731362423 /nfs/dbraw/zinc/36/24/23/731362423.db2.gz LNBGOLQTGGNSNQ-LIRZEXBASA-N 1 0 350.553 3.243 20 10 FGCDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850519435 731368558 /nfs/dbraw/zinc/36/85/58/731368558.db2.gz LTUJHCUKZMQSBI-WBMJQRKESA-N 1 0 360.832 3.251 20 10 FGCDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850519434 731368615 /nfs/dbraw/zinc/36/86/15/731368615.db2.gz LTUJHCUKZMQSBI-MLGOLLRUSA-N 1 0 360.832 3.251 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)c2c1c(F)ccc2O ZINC000850530792 731369766 /nfs/dbraw/zinc/36/97/66/731369766.db2.gz CNYZTEUBEHCTNA-TZMCWYRMSA-N 1 0 355.475 3.417 20 10 FGCDRO COCCOc1cccc(C[NH2+]Cc2c(O)cccc2Br)c1 ZINC000858100229 732180584 /nfs/dbraw/zinc/18/05/84/732180584.db2.gz OPUJCTQMJFKKEY-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1F ZINC000858136981 732184631 /nfs/dbraw/zinc/18/46/31/732184631.db2.gz BTGICFLGGXBECY-SFHVURJKSA-N 1 0 356.363 3.306 20 10 FGCDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1c(O)cccc1Br ZINC000858186371 732190641 /nfs/dbraw/zinc/19/06/41/732190641.db2.gz ZSSRLAPSAPGZKV-CQSZACIVSA-N 1 0 363.255 3.021 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000858208425 732192512 /nfs/dbraw/zinc/19/25/12/732192512.db2.gz CQIZCWGKTMPMEJ-GFCCVEGCSA-N 1 0 364.165 3.244 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCCCO1 ZINC000858354168 732206876 /nfs/dbraw/zinc/20/68/76/732206876.db2.gz LNOGWCNXDDYSEW-UIVXKWKOSA-N 1 0 350.478 3.487 20 10 FGCDRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cc(Br)ccc2O)n1 ZINC000858591549 732229599 /nfs/dbraw/zinc/22/95/99/732229599.db2.gz GBMSSJVXXXDXNI-RGZBUGHASA-N 1 0 368.231 3.027 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1O ZINC000858603124 732230894 /nfs/dbraw/zinc/23/08/94/732230894.db2.gz RMSPLBXMVDCJRX-GJZGRUSLSA-N 1 0 367.287 3.349 20 10 FGCDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862240738 732795668 /nfs/dbraw/zinc/79/56/68/732795668.db2.gz OIOZKNPISXRVKD-ZDUSSCGKSA-N 1 0 367.287 3.132 20 10 FGCDRO CN(C)c1cc(F)c(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)cc1F ZINC000862390516 732822764 /nfs/dbraw/zinc/82/27/64/732822764.db2.gz GDJOPMRXMYZEOH-UHFFFAOYSA-N 1 0 365.390 3.489 20 10 FGCDRO Cc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(F)c1 ZINC000864355748 733049116 /nfs/dbraw/zinc/04/91/16/733049116.db2.gz JGQPEVYZEBLMRY-GDNBJRDFSA-N 1 0 350.484 3.430 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000872112890 735589814 /nfs/dbraw/zinc/58/98/14/735589814.db2.gz LPPREFAYJVCDIY-MNOVXSKESA-N 1 0 372.259 3.157 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000872111848 735589877 /nfs/dbraw/zinc/58/98/77/735589877.db2.gz GSVZTFWZEYQHBP-NEPJUHHUSA-N 1 0 356.260 3.457 20 10 FGCDRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000872119424 735591985 /nfs/dbraw/zinc/59/19/85/735591985.db2.gz QYTGMUVQGMXNAC-HILARFPUSA-N 1 0 363.523 3.277 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876896051 736159444 /nfs/dbraw/zinc/15/94/44/736159444.db2.gz SWENUELIPUMGOL-UHFFFAOYSA-N 1 0 362.495 3.021 20 10 FGCDRO COc1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000876946957 736166278 /nfs/dbraw/zinc/16/62/78/736166278.db2.gz YFIAHXYETYCPKN-BETUJISGSA-N 1 0 365.474 3.194 20 10 FGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000876966395 736168957 /nfs/dbraw/zinc/16/89/57/736168957.db2.gz UJAKFOOEOIKBOT-HXUWFJFHSA-N 1 0 350.478 3.082 20 10 FGCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000876972007 736169349 /nfs/dbraw/zinc/16/93/49/736169349.db2.gz WTWYASHVGXCXFJ-UHFFFAOYSA-N 1 0 362.495 3.019 20 10 FGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886749665 739290862 /nfs/dbraw/zinc/29/08/62/739290862.db2.gz ZPNFQTYGWLTAQA-CYBMUJFWSA-N 1 0 358.511 3.004 20 10 FGCDRO COc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)c(O)c1OC ZINC000893707763 742188646 /nfs/dbraw/zinc/18/86/46/742188646.db2.gz WHEPHJGFDHOEFF-UHFFFAOYSA-N 1 0 361.829 3.239 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c(O)c1OC ZINC000894169523 742247993 /nfs/dbraw/zinc/24/79/93/742247993.db2.gz LLNQBJWCRBIHOA-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894940192 742354457 /nfs/dbraw/zinc/35/44/57/742354457.db2.gz RCOPOBBLEAXZSA-KFKAGJAMSA-N 1 0 350.478 3.215 20 10 FGCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CS1 ZINC000895813368 742456516 /nfs/dbraw/zinc/45/65/16/742456516.db2.gz INLWEYNBDRHFDG-MJGOQNOKSA-N 1 0 361.555 3.008 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1O ZINC000895822586 742457699 /nfs/dbraw/zinc/45/76/99/742457699.db2.gz ORFIVVHAAMGIJY-ZQUVKOLYSA-N 1 0 355.862 3.116 20 10 FGCDRO Cn1ccc(C2CC[NH+](Cc3c(O)cccc3Br)CC2)n1 ZINC000896495011 742558902 /nfs/dbraw/zinc/55/89/02/742558902.db2.gz KNOGMLAWDYWQLJ-UHFFFAOYSA-N 1 0 350.260 3.268 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 ZINC000896970099 742624148 /nfs/dbraw/zinc/62/41/48/742624148.db2.gz QVYFLAYWSNPGPM-GFCCVEGCSA-N 1 0 362.451 3.024 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897616658 742696344 /nfs/dbraw/zinc/69/63/44/742696344.db2.gz VTBRIZWFDYZHAQ-NSHDSACASA-N 1 0 353.344 3.199 20 10 FGCDRO O=S(=O)(Nc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1)C1CC1 ZINC000898292343 742771347 /nfs/dbraw/zinc/77/13/47/742771347.db2.gz GNYPOPSGVNCXJX-UHFFFAOYSA-N 1 0 366.870 3.240 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1C ZINC000898725684 742827092 /nfs/dbraw/zinc/82/70/92/742827092.db2.gz VCDIXNGVRHOGLC-CYBMUJFWSA-N 1 0 350.260 3.073 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2Br)c2c1c(F)ccc2O ZINC000903187926 743819652 /nfs/dbraw/zinc/81/96/52/743819652.db2.gz LCDCYKPKMTYZNB-GZMMTYOYSA-N 1 0 354.223 3.365 20 10 FGCDRO C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+](C2CCC2)C1 ZINC000908356870 744282100 /nfs/dbraw/zinc/28/21/00/744282100.db2.gz CLIDOSUBIKISEX-GFCCVEGCSA-N 1 0 360.479 3.259 20 10 FGCDRO CSc1ccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000911666733 757201824 /nfs/dbraw/zinc/20/18/24/757201824.db2.gz LFWOBGNDIPSDOF-IBGZPJMESA-N 1 0 357.523 3.223 20 10 FGCDRO Fc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)ccc1N1CCOCC1 ZINC000922422511 758921632 /nfs/dbraw/zinc/92/16/32/758921632.db2.gz LSEXZJQJIGWLRK-ALOPSCKCSA-N 1 0 350.503 3.426 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1(Br)CC1 ZINC000924761032 759381802 /nfs/dbraw/zinc/38/18/02/759381802.db2.gz SPEZJVJALAWRRY-AWEZNQCLSA-N 1 0 367.331 3.301 20 10 FGCDRO C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000925781977 759537222 /nfs/dbraw/zinc/53/72/22/759537222.db2.gz JPWWPHXTOMYPPX-KGLIPLIRSA-N 1 0 373.875 3.072 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000779040391 724383607 /nfs/dbraw/zinc/38/36/07/724383607.db2.gz IDZCDSFEHIHTQP-LLVKDONJSA-N 1 0 365.275 3.170 20 10 FGCDRO O[C@H](c1ccccc1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000124585629 495311853 /nfs/dbraw/zinc/31/18/53/495311853.db2.gz KBVHPIAVDJIXGN-HSZRJFAPSA-N 1 0 366.505 3.469 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000130429233 495391411 /nfs/dbraw/zinc/39/14/11/495391411.db2.gz ROBMPKSXIYTVNR-XOBRGWDASA-N 1 0 362.420 3.186 20 10 FGCDRO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)CN1CC[NH+](C)CC1 ZINC000120783615 495457237 /nfs/dbraw/zinc/45/72/37/495457237.db2.gz WHQWEMFQEHENII-WOJBJXKFSA-N 1 0 358.574 3.211 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1O ZINC000185353813 495543913 /nfs/dbraw/zinc/54/39/13/495543913.db2.gz YNACKIZKIURWSW-SFHVURJKSA-N 1 0 358.413 3.123 20 10 FGCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000179329421 495544938 /nfs/dbraw/zinc/54/49/38/495544938.db2.gz IATQIRZVRWQJDN-UHFFFAOYSA-N 1 0 369.303 3.283 20 10 FGCDRO CCCOc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(O)c1 ZINC000185692936 495681982 /nfs/dbraw/zinc/68/19/82/495681982.db2.gz WQKNALVGXVPBIF-UHFFFAOYSA-N 1 0 356.466 3.496 20 10 FGCDRO CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000171128901 495736181 /nfs/dbraw/zinc/73/61/81/495736181.db2.gz QUCUUMDSBWTZMR-UHFFFAOYSA-N 1 0 354.450 3.185 20 10 FGCDRO CNC(=O)CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183091138 495830710 /nfs/dbraw/zinc/83/07/10/495830710.db2.gz DOACQRSQHBRJFW-UHFFFAOYSA-N 1 0 368.477 3.319 20 10 FGCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2=O)cc1 ZINC000186050296 495836524 /nfs/dbraw/zinc/83/65/24/495836524.db2.gz PAAKYGJWIWKPBV-DNVCBOLYSA-N 1 0 354.450 3.161 20 10 FGCDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160118408 495887954 /nfs/dbraw/zinc/88/79/54/495887954.db2.gz CVRHOWXHXHHXOH-IFXJQAMLSA-N 1 0 364.486 3.282 20 10 FGCDRO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000186252111 495914974 /nfs/dbraw/zinc/91/49/74/495914974.db2.gz QWWYOXABRBANAQ-WCWDXBQESA-N 1 0 353.426 3.284 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000160442912 495964456 /nfs/dbraw/zinc/96/44/56/495964456.db2.gz CSSKLRBHTCBLBI-GOSISDBHSA-N 1 0 353.510 3.436 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1O ZINC000183448998 495989548 /nfs/dbraw/zinc/98/95/48/495989548.db2.gz CIEDCSNXLPBWPA-AWEZNQCLSA-N 1 0 362.495 3.320 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1O ZINC000183458449 495992999 /nfs/dbraw/zinc/99/29/99/495992999.db2.gz ZKAINLIGPOIKAP-BBWFWOEESA-N 1 0 368.477 3.492 20 10 FGCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000186441160 495999559 /nfs/dbraw/zinc/99/95/59/495999559.db2.gz VEJMWELPIMCRAC-OAQYLSRUSA-N 1 0 367.493 3.033 20 10 FGCDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000183526818 496019475 /nfs/dbraw/zinc/01/94/75/496019475.db2.gz DGJNQRGOQTYXJJ-AWEZNQCLSA-N 1 0 360.429 3.294 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1O ZINC000183607796 496046313 /nfs/dbraw/zinc/04/63/13/496046313.db2.gz LJHSWQQEZGESGV-MRXNPFEDSA-N 1 0 374.506 3.037 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000180683099 496102424 /nfs/dbraw/zinc/10/24/24/496102424.db2.gz AFDZYSLKCNCYAX-KBPBESRZSA-N 1 0 358.301 3.169 20 10 FGCDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180787842 496147058 /nfs/dbraw/zinc/14/70/58/496147058.db2.gz PNINUNZBCYHLLM-DZZUKKPASA-N 1 0 366.461 3.453 20 10 FGCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181083747 496264598 /nfs/dbraw/zinc/26/45/98/496264598.db2.gz UONNHKVMILJLHL-JLLINPMKSA-N 1 0 358.482 3.224 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1OC ZINC000181614991 496471953 /nfs/dbraw/zinc/47/19/53/496471953.db2.gz WPCPFIAOUHYVNK-MRXNPFEDSA-N 1 0 360.454 3.319 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000184684764 496492370 /nfs/dbraw/zinc/49/23/70/496492370.db2.gz OEVGLPFXUTYGJI-MRXNPFEDSA-N 1 0 355.862 3.214 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)ccc1O ZINC000184964560 496601933 /nfs/dbraw/zinc/60/19/33/496601933.db2.gz FMWKWJOKSLRLSB-LBPRGKRZSA-N 1 0 368.886 3.147 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184986427 496612151 /nfs/dbraw/zinc/61/21/51/496612151.db2.gz DLKSCERTVPEOFC-MRXNPFEDSA-N 1 0 367.493 3.353 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c1 ZINC000185010826 496621218 /nfs/dbraw/zinc/62/12/18/496621218.db2.gz GCTWPFQFVVLDKT-HNNXBMFYSA-N 1 0 354.450 3.374 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000273361086 496782992 /nfs/dbraw/zinc/78/29/92/496782992.db2.gz AKRRKDUKLHBBLR-ZBOXLXRLSA-N 1 0 355.276 3.110 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000273361083 496783133 /nfs/dbraw/zinc/78/31/33/496783133.db2.gz AKRRKDUKLHBBLR-XSRFYTQQSA-N 1 0 355.276 3.110 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c1 ZINC000191503764 496787874 /nfs/dbraw/zinc/78/78/74/496787874.db2.gz FVRBKWSZYJETAA-UHFFFAOYSA-N 1 0 358.829 3.233 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000273463007 496813176 /nfs/dbraw/zinc/81/31/76/496813176.db2.gz DDSAGWGHFMDBNZ-GJZGRUSLSA-N 1 0 362.495 3.363 20 10 FGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000273604832 496851768 /nfs/dbraw/zinc/85/17/68/496851768.db2.gz SYXBGKOUWWGRCJ-HNNXBMFYSA-N 1 0 371.456 3.051 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1F ZINC000264950772 497017049 /nfs/dbraw/zinc/01/70/49/497017049.db2.gz KJBNBEGOFPTQCL-UHFFFAOYSA-N 1 0 355.457 3.286 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479762 497564497 /nfs/dbraw/zinc/56/44/97/497564497.db2.gz YZWYTGVRWIPOII-YLJYHZDGSA-N 1 0 367.493 3.444 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000272719442 497712152 /nfs/dbraw/zinc/71/21/52/497712152.db2.gz MOUVATHLFIBHOJ-INIZCTEOSA-N 1 0 372.538 3.299 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280886070 497936338 /nfs/dbraw/zinc/93/63/38/497936338.db2.gz ORYIENBSNWOCIS-CGTJXYLNSA-N 1 0 350.478 3.112 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000285435265 498082518 /nfs/dbraw/zinc/08/25/18/498082518.db2.gz YTPMCXBUBNZLLS-OAHLLOKOSA-N 1 0 359.445 3.231 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000296667474 498144565 /nfs/dbraw/zinc/14/45/65/498144565.db2.gz FTQFGVIZRRSNQR-ZWKOTPCHSA-N 1 0 360.523 3.119 20 10 FGCDRO COc1cccc(C[NH2+]Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)c1O ZINC000289448692 498151187 /nfs/dbraw/zinc/15/11/87/498151187.db2.gz MYMORSMBUIDEIE-UHFFFAOYSA-N 1 0 365.455 3.494 20 10 FGCDRO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1cc(Br)ccc1O ZINC000289570199 498198862 /nfs/dbraw/zinc/19/88/62/498198862.db2.gz AXBHAJRNWDESHQ-NSHDSACASA-N 1 0 350.260 3.467 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1 ZINC000360054173 498240613 /nfs/dbraw/zinc/24/06/13/498240613.db2.gz ASKGDHJAYJRCIC-QUCCMNQESA-N 1 0 366.509 3.238 20 10 FGCDRO C[C@@H]1C[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000361121836 498347781 /nfs/dbraw/zinc/34/77/81/498347781.db2.gz IKEPKILJCADSHE-ACMHHVSHSA-N 1 0 366.461 3.138 20 10 FGCDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1OC ZINC000290112005 498432555 /nfs/dbraw/zinc/43/25/55/498432555.db2.gz ISMXUUSQDAEIHN-ZUOKHONESA-N 1 0 363.429 3.193 20 10 FGCDRO CSc1cncc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000302273711 498463229 /nfs/dbraw/zinc/46/32/29/498463229.db2.gz SOEQPSVNZWTXTC-UHFFFAOYSA-N 1 0 369.538 3.343 20 10 FGCDRO Cc1cc(Br)cc(CNCc2nccc(C(F)F)n2)c1O ZINC000290273800 498491534 /nfs/dbraw/zinc/49/15/34/498491534.db2.gz YGOAZLPUKOOOGN-UHFFFAOYSA-N 1 0 358.186 3.481 20 10 FGCDRO OCC1([C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C2CC2)CCOCC1 ZINC000293891926 498524644 /nfs/dbraw/zinc/52/46/44/498524644.db2.gz DTYFKJUOEZKXRV-OAQYLSRUSA-N 1 0 358.526 3.334 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1F ZINC000282920275 498710188 /nfs/dbraw/zinc/71/01/88/498710188.db2.gz HGWFPCWMGFVTED-KRWDZBQOSA-N 1 0 356.445 3.288 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000291006816 498754868 /nfs/dbraw/zinc/75/48/68/498754868.db2.gz DEZHBBJLYFVEJW-UHFFFAOYSA-N 1 0 362.470 3.376 20 10 FGCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366200444 498820693 /nfs/dbraw/zinc/82/06/93/498820693.db2.gz JHUMJHVGKPBITC-OAQYLSRUSA-N 1 0 367.493 3.077 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294911476 498847724 /nfs/dbraw/zinc/84/77/24/498847724.db2.gz XZSOGSZXNPCIOM-LBPRGKRZSA-N 1 0 354.878 3.168 20 10 FGCDRO COc1ccc([C@H](O)C2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000291241721 498859114 /nfs/dbraw/zinc/85/91/14/498859114.db2.gz LGNRYWCNHOBZSM-FQEVSTJZSA-N 1 0 357.450 3.355 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287798886 498866980 /nfs/dbraw/zinc/86/69/80/498866980.db2.gz TZSIMEDTXNRADO-MLGOLLRUSA-N 1 0 360.329 3.376 20 10 FGCDRO OCC1CCN(c2ccc(CNc3cc[nH+]cc3-c3cccnc3)cc2)CC1 ZINC000366817647 499084300 /nfs/dbraw/zinc/08/43/00/499084300.db2.gz HQDSEULJKIDMOU-UHFFFAOYSA-N 1 0 374.488 3.386 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(Br)ccc1O ZINC000367066358 499142847 /nfs/dbraw/zinc/14/28/47/499142847.db2.gz JBXOTKNBYDFKNV-GRDNDAEWSA-N 1 0 367.287 3.253 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c1 ZINC000372587790 499150227 /nfs/dbraw/zinc/15/02/27/499150227.db2.gz ABJUDONCBXWKGK-QAPCUYQASA-N 1 0 358.482 3.186 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598008 499151453 /nfs/dbraw/zinc/15/14/53/499151453.db2.gz FCUVBDYVKKRPEZ-OCCSQVGLSA-N 1 0 358.442 3.023 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000372811486 499178000 /nfs/dbraw/zinc/17/80/00/499178000.db2.gz GCOUJJCFFAUBFN-IBGZPJMESA-N 1 0 358.482 3.082 20 10 FGCDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000367350874 499186581 /nfs/dbraw/zinc/18/65/81/499186581.db2.gz YLFTVDRIXQZMPU-RTWAWAEBSA-N 1 0 364.493 3.077 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370662589 499241383 /nfs/dbraw/zinc/24/13/83/499241383.db2.gz MTSMECVZNCPUBU-LPHOPBHVSA-N 1 0 352.482 3.103 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000367896791 499242811 /nfs/dbraw/zinc/24/28/11/499242811.db2.gz PDQOCXWQBDAFBG-GUYCJALGSA-N 1 0 373.884 3.464 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000370861335 499263590 /nfs/dbraw/zinc/26/35/90/499263590.db2.gz MIRVPCBVIHTQGO-OAQYLSRUSA-N 1 0 367.493 3.213 20 10 FGCDRO O=C1CCCC(=O)N1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000372372881 499425813 /nfs/dbraw/zinc/42/58/13/499425813.db2.gz AODLMNBYYBYGDI-UHFFFAOYSA-N 1 0 369.509 3.180 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1cccc(N2CCOCC2)c1 ZINC000372417020 499432212 /nfs/dbraw/zinc/43/22/12/499432212.db2.gz NKNODLGDQGUZJE-KRWDZBQOSA-N 1 0 351.494 3.366 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000378382200 499509887 /nfs/dbraw/zinc/50/98/87/499509887.db2.gz YJGWFNDOCKVKEJ-MJGOQNOKSA-N 1 0 359.470 3.003 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCn3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000378404715 499512737 /nfs/dbraw/zinc/51/27/37/499512737.db2.gz PMDSTHJSDLIXRE-UHFFFAOYSA-N 1 0 366.465 3.009 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C)cc1O ZINC000375648945 499541337 /nfs/dbraw/zinc/54/13/37/499541337.db2.gz NLXMJYQRNXYVJM-MAUKXSAKSA-N 1 0 353.466 3.119 20 10 FGCDRO CCn1cnnc1[C@@H]1C[N@@H+]([C@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752584 499551725 /nfs/dbraw/zinc/55/17/25/499551725.db2.gz BOSWSCVDHPFPTK-KUHUBIRLSA-N 1 0 356.470 3.017 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1)c1ccccc1O ZINC000377627503 499712499 /nfs/dbraw/zinc/71/24/99/499712499.db2.gz MJLBGAYBIZQMFY-YESZJQIVSA-N 1 0 358.486 3.436 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433361452 500681066 /nfs/dbraw/zinc/68/10/66/500681066.db2.gz HCBZSGGBYAJXQX-IBGZPJMESA-N 1 0 353.466 3.171 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc21 ZINC000607689959 506228073 /nfs/dbraw/zinc/22/80/73/506228073.db2.gz USAIYWOLXFRVDG-RDTXWAMCSA-N 1 0 357.498 3.117 20 10 FGCDRO CO[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)C ZINC000435821087 501033850 /nfs/dbraw/zinc/03/38/50/501033850.db2.gz ZWYAOKOPOIZQKC-OAQYLSRUSA-N 1 0 371.525 3.195 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454877956 501648105 /nfs/dbraw/zinc/64/81/05/501648105.db2.gz RJEABVOLPXVQJT-UHFFFAOYSA-N 1 0 354.498 3.303 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@H](C)O2)C1 ZINC000457361582 501687401 /nfs/dbraw/zinc/68/74/01/501687401.db2.gz KRNHMIWTBXXEEN-IRXDYDNUSA-N 1 0 369.509 3.092 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000472219686 502274056 /nfs/dbraw/zinc/27/40/56/502274056.db2.gz HBYVXOCVWYVUFE-UHFFFAOYSA-N 1 0 356.514 3.360 20 10 FGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000472226192 502277067 /nfs/dbraw/zinc/27/70/67/502277067.db2.gz VGYGCEYLAOPHTI-QAPCUYQASA-N 1 0 356.514 3.358 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000484695441 502711970 /nfs/dbraw/zinc/71/19/70/502711970.db2.gz NEHISOHOOOWQLW-FPOVZHCZSA-N 1 0 369.509 3.261 20 10 FGCDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000490035524 503095105 /nfs/dbraw/zinc/09/51/05/503095105.db2.gz ZJUZLKWUZLNOLK-HNNXBMFYSA-N 1 0 359.514 3.365 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)ccc21 ZINC000538921037 504416801 /nfs/dbraw/zinc/41/68/01/504416801.db2.gz DKYNPTVDUDOYJZ-IRXDYDNUSA-N 1 0 357.498 3.069 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccon2)C1 ZINC000583558238 506847368 /nfs/dbraw/zinc/84/73/68/506847368.db2.gz HQMIUCHSPYHVGK-UHFFFAOYSA-N 1 0 366.465 3.054 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C3CC[NH+](C)CC3)ccc21 ZINC000590818189 506979055 /nfs/dbraw/zinc/97/90/55/506979055.db2.gz WCMUNYUVADVRKX-MRXNPFEDSA-N 1 0 371.525 3.365 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000736533337 598315816 /nfs/dbraw/zinc/31/58/16/598315816.db2.gz ZKQQFSKFBFLROY-UHFFFAOYSA-N 1 0 354.433 3.142 20 10 FGCDRO C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927698 604764383 /nfs/dbraw/zinc/76/43/83/604764383.db2.gz BNIQBXMZLBNFDT-HNAYVOBHSA-N 1 0 354.450 3.160 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826268536 608513116 /nfs/dbraw/zinc/51/31/16/608513116.db2.gz BSNLSIUYJMYOAA-FQEVSTJZSA-N 1 0 362.481 3.408 20 10 FGCDRO CC(C)(C)c1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000101589773 700469203 /nfs/dbraw/zinc/46/92/03/700469203.db2.gz NFSPLPHCAJKTQP-OAHLLOKOSA-N 1 0 353.528 3.264 20 10 FGCDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000105448234 700501034 /nfs/dbraw/zinc/50/10/34/700501034.db2.gz ZUOUUGGPQOGQPM-UHFFFAOYSA-N 1 0 351.200 3.395 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)o3)cc2F)CC1 ZINC000106702662 700509784 /nfs/dbraw/zinc/50/97/84/700509784.db2.gz MEHWCAZBJXWXJX-UHFFFAOYSA-N 1 0 365.836 3.144 20 10 FGCDRO C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000128228143 700772305 /nfs/dbraw/zinc/77/23/05/700772305.db2.gz WPUYYWXZOCSUBI-MRXNPFEDSA-N 1 0 351.922 3.313 20 10 FGCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1[O-] ZINC000134204045 704815433 /nfs/dbraw/zinc/81/54/33/704815433.db2.gz BHKSXUUALWXBLV-UHFFFAOYSA-N 1 0 353.850 3.262 20 10 FGCDRO CCC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1O ZINC000137009979 704866558 /nfs/dbraw/zinc/86/65/58/704866558.db2.gz ZIXGVRHBGJOMIM-UHFFFAOYSA-N 1 0 362.499 3.392 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000151631239 704930988 /nfs/dbraw/zinc/93/09/88/704930988.db2.gz PGPXDRWCTOVHEH-HNNXBMFYSA-N 1 0 364.540 3.227 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(N(C)C)cc1 ZINC000154442447 705034824 /nfs/dbraw/zinc/03/48/24/705034824.db2.gz LGZRQOCSLCYKGB-UXHICEINSA-N 1 0 363.571 3.001 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccsc3)cc2F)CC1 ZINC000157502548 705155449 /nfs/dbraw/zinc/15/54/49/705155449.db2.gz ITBIKABJIVXPRY-UHFFFAOYSA-N 1 0 362.474 3.351 20 10 FGCDRO COc1cc(C[N@H+](C)Cc2cc(Br)cn2C)c(O)cc1C ZINC000160402592 705252192 /nfs/dbraw/zinc/25/21/92/705252192.db2.gz LOJISMJENSVGJR-UHFFFAOYSA-N 1 0 353.260 3.442 20 10 FGCDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)NC(=O)OC(C)(C)C ZINC000194946129 713540536 /nfs/dbraw/zinc/54/05/36/713540536.db2.gz BWSGWCFQJXQBTD-SNVBAGLBSA-N 1 0 359.264 3.158 20 10 FGCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC000248562499 713653208 /nfs/dbraw/zinc/65/32/08/713653208.db2.gz BBJIJOMFTWHUAT-APHBMKBZSA-N 1 0 350.434 3.266 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCc1cccc(Br)c1)OCO2 ZINC000313706644 713803560 /nfs/dbraw/zinc/80/35/60/713803560.db2.gz XSYMUPBDJFTTTG-UHFFFAOYSA-N 1 0 350.212 3.216 20 10 FGCDRO CN1C(=O)C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000779100505 724390089 /nfs/dbraw/zinc/39/00/89/724390089.db2.gz SDBNPMSLMFVRIZ-MAUKXSAKSA-N 1 0 366.795 3.385 20 10 FGCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](OC(F)F)C2)c1O ZINC000802746534 724404032 /nfs/dbraw/zinc/40/40/32/724404032.db2.gz CRYMTDIAOBEAFM-LBPRGKRZSA-N 1 0 351.349 3.146 20 10 FGCDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(Br)cc1O ZINC000756638852 722968043 /nfs/dbraw/zinc/96/80/43/722968043.db2.gz SQUBRGRMKVTJNZ-IAQYHMDHSA-N 1 0 359.333 3.243 20 10 FGCDRO COC[C@@H]1CCCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000768542658 723661082 /nfs/dbraw/zinc/66/10/82/723661082.db2.gz YQVGPAVHAQRHSY-GFCCVEGCSA-N 1 0 358.276 3.412 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000780533624 724477243 /nfs/dbraw/zinc/47/72/43/724477243.db2.gz VCNCWKBWFHMVMO-QGZVFWFLSA-N 1 0 361.873 3.203 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000782544647 724681193 /nfs/dbraw/zinc/68/11/93/724681193.db2.gz NNXQWOLIDNILRX-HNNXBMFYSA-N 1 0 350.256 3.156 20 10 FGCDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000782777503 724699772 /nfs/dbraw/zinc/69/97/72/724699772.db2.gz KXYBGMXIFYQJMZ-HNAYVOBHSA-N 1 0 350.478 3.254 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706855692 722412232 /nfs/dbraw/zinc/41/22/32/722412232.db2.gz LUVDDVDCSCHTGT-LLVKDONJSA-N 1 0 371.275 3.254 20 10 FGCDRO [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000708091385 722412596 /nfs/dbraw/zinc/41/25/96/722412596.db2.gz UBSIJPJLRZXUIX-JTQLQIEISA-N 1 0 359.695 3.382 20 10 FGCDRO Cc1cc(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000731232648 722474181 /nfs/dbraw/zinc/47/41/81/722474181.db2.gz DNFUFFMDLJBKRJ-INIZCTEOSA-N 1 0 359.901 3.358 20 10 FGCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329119 722495721 /nfs/dbraw/zinc/49/57/21/722495721.db2.gz NBZAZOSYBOAHOO-OAHLLOKOSA-N 1 0 361.364 3.252 20 10 FGCDRO COc1cc(C)nc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000735487044 722516646 /nfs/dbraw/zinc/51/66/46/722516646.db2.gz ANKIZVOCLQQTFS-HNNXBMFYSA-N 1 0 362.861 3.229 20 10 FGCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000740854954 722538397 /nfs/dbraw/zinc/53/83/97/722538397.db2.gz KZTFCYPDVWDXHP-OAHLLOKOSA-N 1 0 351.512 3.479 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000742392594 722556735 /nfs/dbraw/zinc/55/67/35/722556735.db2.gz RMSDHMJONXMSBQ-MPGHIAIKSA-N 1 0 356.853 3.292 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756398481 722963965 /nfs/dbraw/zinc/96/39/65/722963965.db2.gz IOBBOZOZJKJSBK-LBPRGKRZSA-N 1 0 360.329 3.376 20 10 FGCDRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000756780514 722969969 /nfs/dbraw/zinc/96/99/69/722969969.db2.gz VCIMSXUKKJUOAW-CQSZACIVSA-N 1 0 351.512 3.137 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCCCSc1nccs1)c1ccsc1 ZINC000759561215 723008930 /nfs/dbraw/zinc/00/89/30/723008930.db2.gz PRZJZEDRHWWDEN-CYBMUJFWSA-N 1 0 370.569 3.289 20 10 FGCDRO CCN(CC)C(=O)C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761196203 723132044 /nfs/dbraw/zinc/13/20/44/723132044.db2.gz XWKJKJITOJDSDZ-UHFFFAOYSA-N 1 0 354.878 3.135 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000790754717 723174326 /nfs/dbraw/zinc/17/43/26/723174326.db2.gz JGCSBHGWZBIMTD-SFYZADRCSA-N 1 0 370.226 3.027 20 10 FGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1N1CCOCC1 ZINC000762612590 723262066 /nfs/dbraw/zinc/26/20/66/723262066.db2.gz GYMZTDJOCUCPIU-NXHRZFHOSA-N 1 0 368.543 3.132 20 10 FGCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792840371 723373417 /nfs/dbraw/zinc/37/34/17/723373417.db2.gz HDHQMBMIGYGVLU-CQSZACIVSA-N 1 0 357.420 3.072 20 10 FGCDRO CN(C)c1ccc(CNc2cnn(CC[NH+](C)C)c2)c(C(F)(F)F)c1 ZINC000792956203 723386433 /nfs/dbraw/zinc/38/64/33/723386433.db2.gz LGMWXTAYAILFKB-UHFFFAOYSA-N 1 0 355.408 3.142 20 10 FGCDRO CCn1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)c1=O ZINC000793183012 723408140 /nfs/dbraw/zinc/40/81/40/723408140.db2.gz AFFXSJJAVWUZKR-UHFFFAOYSA-N 1 0 353.388 3.243 20 10 FGCDRO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000793700530 723461805 /nfs/dbraw/zinc/46/18/05/723461805.db2.gz SJPJUQDUCAPLIY-ZDUSSCGKSA-N 1 0 359.447 3.158 20 10 FGCDRO C[NH+](C)CC1(C(=O)NCc2cccc(Br)c2O)CCCCC1 ZINC000765944862 723548018 /nfs/dbraw/zinc/54/80/18/723548018.db2.gz SVYCRRWSLQMADF-UHFFFAOYSA-N 1 0 369.303 3.283 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCN1C ZINC000765991639 723550352 /nfs/dbraw/zinc/55/03/52/723550352.db2.gz DNPUMXTURQIDRH-FHLIZLRMSA-N 1 0 351.922 3.082 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766144751 723558306 /nfs/dbraw/zinc/55/83/06/723558306.db2.gz LHYCAVKQMFGKIC-YQQAZPJKSA-N 1 0 352.906 3.378 20 10 FGCDRO c1cc(N2CCSCC2)ccc1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795899211 723613205 /nfs/dbraw/zinc/61/32/05/723613205.db2.gz MNHNQQMZYHIECD-UHFFFAOYSA-N 1 0 362.539 3.263 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000796032111 723618145 /nfs/dbraw/zinc/61/81/45/723618145.db2.gz NWCBSXYLYMOXSY-GUYCJALGSA-N 1 0 370.287 3.233 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1O ZINC000769188794 723679083 /nfs/dbraw/zinc/67/90/83/723679083.db2.gz ILISLDULIWRHNZ-UHFFFAOYSA-N 1 0 366.259 3.266 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(N(C)C)cc1 ZINC000773038672 723774953 /nfs/dbraw/zinc/77/49/53/723774953.db2.gz BDOYUKMWOFHSKE-IBGZPJMESA-N 1 0 358.507 3.323 20 10 FGCDRO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774122417 723861252 /nfs/dbraw/zinc/86/12/52/723861252.db2.gz LGMBNZPBFQYLMC-CYBMUJFWSA-N 1 0 360.329 3.377 20 10 FGCDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000798002042 723897398 /nfs/dbraw/zinc/89/73/98/723897398.db2.gz VXKLJQAMXPLMKJ-CYBMUJFWSA-N 1 0 362.857 3.064 20 10 FGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774545936 723905379 /nfs/dbraw/zinc/90/53/79/723905379.db2.gz CMDXQUWBFJECRN-HXUWFJFHSA-N 1 0 360.885 3.342 20 10 FGCDRO COc1cccc(O)c1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000798499060 723938108 /nfs/dbraw/zinc/93/81/08/723938108.db2.gz KMIREUGAHUEAPQ-UHFFFAOYSA-N 1 0 362.857 3.181 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC000798966523 723980967 /nfs/dbraw/zinc/98/09/67/723980967.db2.gz DKQSEAMORWFMRP-INIZCTEOSA-N 1 0 352.475 3.430 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775413557 723989043 /nfs/dbraw/zinc/98/90/43/723989043.db2.gz GGYJLXYMVBHABQ-ZBFHGGJFSA-N 1 0 363.255 3.422 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cc(Cl)ccc1O ZINC000775492240 723995617 /nfs/dbraw/zinc/99/56/17/723995617.db2.gz NUPDNTUFBWXPQG-INIZCTEOSA-N 1 0 368.886 3.195 20 10 FGCDRO CC[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cc(Br)ccc1O ZINC000775498046 723996277 /nfs/dbraw/zinc/99/62/77/723996277.db2.gz GIRFKXGCOPOCSR-OAHLLOKOSA-N 1 0 371.319 3.306 20 10 FGCDRO CC[C@H]([NH2+]CCN1CCC(OC)CC1)c1cc(Br)ccc1O ZINC000775512418 723997271 /nfs/dbraw/zinc/99/72/71/723997271.db2.gz OTYCACXMBUSWEN-INIZCTEOSA-N 1 0 371.319 3.306 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc(N(C)C)cc1 ZINC000775834668 724069202 /nfs/dbraw/zinc/06/92/02/724069202.db2.gz CATVNZZTCRJBBY-CYBMUJFWSA-N 1 0 358.511 3.377 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1O ZINC000776250303 724123852 /nfs/dbraw/zinc/12/38/52/724123852.db2.gz GJZCQORPLXZDNK-HNNXBMFYSA-N 1 0 370.287 3.281 20 10 FGCDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000800222992 724168384 /nfs/dbraw/zinc/16/83/84/724168384.db2.gz NPNUIHMFXTXWMC-CQSZACIVSA-N 1 0 360.420 3.445 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(OCC)c2O)C1 ZINC000776811754 724185440 /nfs/dbraw/zinc/18/54/40/724185440.db2.gz OMTIAUOJJHTXBI-HOCLYGCPSA-N 1 0 350.459 3.138 20 10 FGCDRO CC[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(C)cc1O ZINC000800503239 724204258 /nfs/dbraw/zinc/20/42/58/724204258.db2.gz QAUQNNXBRCMMAD-IBGZPJMESA-N 1 0 361.507 3.399 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000800505674 724205071 /nfs/dbraw/zinc/20/50/71/724205071.db2.gz XCTFWTHWCDOPMU-QGZVFWFLSA-N 1 0 360.523 3.061 20 10 FGCDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)O1 ZINC000801732422 724328710 /nfs/dbraw/zinc/32/87/10/724328710.db2.gz KHKCWYVNGKEFMT-BJWYYQGGSA-N 1 0 350.478 3.346 20 10 FGCDRO CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806137051 725117576 /nfs/dbraw/zinc/11/75/76/725117576.db2.gz GIGIDPOSZQHFPE-SFHVURJKSA-N 1 0 353.938 3.360 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000806138291 725117588 /nfs/dbraw/zinc/11/75/88/725117588.db2.gz YDPDBSMEHBKEBG-RHSMWYFYSA-N 1 0 358.404 3.364 20 10 FGCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000808429945 725200828 /nfs/dbraw/zinc/20/08/28/725200828.db2.gz AHPUEEQFDQFQAE-SFHVURJKSA-N 1 0 360.885 3.042 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1O ZINC000808680156 725213216 /nfs/dbraw/zinc/21/32/16/725213216.db2.gz CWHLQLLUGKFJMQ-RDTXWAMCSA-N 1 0 370.946 3.213 20 10 FGCDRO COc1cc2c(cc1C[NH2+]Cc1cc(Br)ccc1O)OCO2 ZINC000809713474 725261647 /nfs/dbraw/zinc/26/16/47/725261647.db2.gz RIIIDZYRFAKGRP-UHFFFAOYSA-N 1 0 366.211 3.182 20 10 FGCDRO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000809740952 725264137 /nfs/dbraw/zinc/26/41/37/725264137.db2.gz GVJBWKIOKACVQL-KBPBESRZSA-N 1 0 357.397 3.248 20 10 FGCDRO C[NH+](C)CCN(Cc1ccco1)Cc1cc(Br)ccc1O ZINC000809746470 725264642 /nfs/dbraw/zinc/26/46/42/725264642.db2.gz UFUBJUZSUTULTM-UHFFFAOYSA-N 1 0 353.260 3.312 20 10 FGCDRO OC[C@]1(C[NH2+]Cc2cc(Br)ccc2O)C[C@@H]1c1ccccc1 ZINC000810165569 725294048 /nfs/dbraw/zinc/29/40/48/725294048.db2.gz WMTUCHXHZZJSJK-SJLPKXTDSA-N 1 0 362.267 3.411 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(C(F)(F)F)cc1O ZINC000810221212 725297832 /nfs/dbraw/zinc/29/78/32/725297832.db2.gz CALRQVWZBTWNFN-ZDUSSCGKSA-N 1 0 353.344 3.146 20 10 FGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810228409 725298268 /nfs/dbraw/zinc/29/82/68/725298268.db2.gz UBHMLZWKGVCGDC-CQSZACIVSA-N 1 0 365.417 3.277 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810241372 725299095 /nfs/dbraw/zinc/29/90/95/725299095.db2.gz SDWZHKNZWGJSIG-GXFFZTMASA-N 1 0 365.417 3.417 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1O ZINC000815148436 727045968 /nfs/dbraw/zinc/04/59/68/727045968.db2.gz WDHWUXQXIMBCIN-VIFPVBQESA-N 1 0 353.216 3.115 20 10 FGCDRO CSc1ccc([C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)N(C)C)cc1 ZINC000815166917 727047491 /nfs/dbraw/zinc/04/74/91/727047491.db2.gz XSGPVGQSPBVDIO-MRXNPFEDSA-N 1 0 360.479 3.235 20 10 FGCDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000815560787 727083848 /nfs/dbraw/zinc/08/38/48/727083848.db2.gz QELNDCRBLAXVDK-INIZCTEOSA-N 1 0 358.404 3.199 20 10 FGCDRO O=C1CCCCN1CC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816514108 727170224 /nfs/dbraw/zinc/17/02/24/727170224.db2.gz MQEYBOYNCCAWLH-UHFFFAOYSA-N 1 0 354.853 3.409 20 10 FGCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816608378 727180016 /nfs/dbraw/zinc/18/00/16/727180016.db2.gz XUFSKYJDEGUCFQ-QGZVFWFLSA-N 1 0 353.340 3.473 20 10 FGCDRO COc1cc(CC[NH2+]Cc2cc(OC)c(OC)cc2O)ccc1Cl ZINC000816665257 727187658 /nfs/dbraw/zinc/18/76/58/727187658.db2.gz ZUOJURPANRSHQN-UHFFFAOYSA-N 1 0 351.830 3.404 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(Br)cc1O ZINC000817585267 727268337 /nfs/dbraw/zinc/26/83/37/727268337.db2.gz DUXFAQUWKPZTSO-SRVKXCTJSA-N 1 0 355.276 3.097 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1C(F)(F)F ZINC000818996537 727336085 /nfs/dbraw/zinc/33/60/85/727336085.db2.gz HRSLVKNLFDESFS-MRXNPFEDSA-N 1 0 351.368 3.334 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@@H]2CCCCNC2=O)cc1 ZINC000823422999 729278942 /nfs/dbraw/zinc/27/89/42/729278942.db2.gz APVZOAXZKHFJOD-LJQANCHMSA-N 1 0 357.523 3.485 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000823579107 729290270 /nfs/dbraw/zinc/29/02/70/729290270.db2.gz LRHVFBGTQQHGKP-UHFFFAOYSA-N 1 0 359.539 3.196 20 10 FGCDRO C[C@@H]1CN(CC[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000823818592 729306664 /nfs/dbraw/zinc/30/66/64/729306664.db2.gz IZOOMDYDBLBGDN-QGZVFWFLSA-N 1 0 359.539 3.195 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1F ZINC000823842646 729308555 /nfs/dbraw/zinc/30/85/55/729308555.db2.gz PEDXQCITIVETJO-UHFFFAOYSA-N 1 0 364.486 3.365 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000824514720 729344605 /nfs/dbraw/zinc/34/46/05/729344605.db2.gz BRLDADWVAGGGCS-QGZVFWFLSA-N 1 0 358.507 3.194 20 10 FGCDRO CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccccc1O ZINC000824544027 729346549 /nfs/dbraw/zinc/34/65/49/729346549.db2.gz SHNYRRZXHADTMK-CQSZACIVSA-N 1 0 351.244 3.057 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(C(F)(F)F)cc1O ZINC000824584053 729349061 /nfs/dbraw/zinc/34/90/61/729349061.db2.gz VWQRHOKSZGLMCC-GOEBONIOSA-N 1 0 360.420 3.299 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824715787 729356348 /nfs/dbraw/zinc/35/63/48/729356348.db2.gz NOBOUCRXUJIXSM-KFWWJZLASA-N 1 0 370.287 3.289 20 10 FGCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(Cl)c(C)cc2O)c1 ZINC000824797366 729359304 /nfs/dbraw/zinc/35/93/04/729359304.db2.gz RXJYUWPLSIDXND-UHFFFAOYSA-N 1 0 365.857 3.366 20 10 FGCDRO OCC[N@H+](CCc1ccccc1)Cc1ccc(Br)cc1O ZINC000824809835 729359775 /nfs/dbraw/zinc/35/97/75/729359775.db2.gz ZVOSEDWFQAFNJG-UHFFFAOYSA-N 1 0 350.256 3.192 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000824846113 729361824 /nfs/dbraw/zinc/36/18/24/729361824.db2.gz PWZBXNOSSVWWDS-HOCLYGCPSA-N 1 0 370.287 3.050 20 10 FGCDRO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000825006177 729367534 /nfs/dbraw/zinc/36/75/34/729367534.db2.gz ZEOSSWDINGGDCQ-JTQLQIEISA-N 1 0 354.248 3.231 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000825124943 729372048 /nfs/dbraw/zinc/37/20/48/729372048.db2.gz BAZIMSYHYHAFGH-SNVBAGLBSA-N 1 0 367.209 3.129 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(C)n1-c1ccccc1C ZINC000825201300 729374444 /nfs/dbraw/zinc/37/44/44/729374444.db2.gz JOMWHHJOQWCOCY-INIZCTEOSA-N 1 0 353.388 3.412 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)cc1OC ZINC000825312814 729378275 /nfs/dbraw/zinc/37/82/75/729378275.db2.gz YHHRXGFBNSMSPG-GOSISDBHSA-N 1 0 363.479 3.464 20 10 FGCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000825320078 729378617 /nfs/dbraw/zinc/37/86/17/729378617.db2.gz FMAXCQMQGLQTGL-SNVBAGLBSA-N 1 0 352.276 3.226 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000825391334 729381535 /nfs/dbraw/zinc/38/15/35/729381535.db2.gz SYZVUFGFZLWICA-MRXNPFEDSA-N 1 0 358.869 3.492 20 10 FGCDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000825563500 729387871 /nfs/dbraw/zinc/38/78/71/729387871.db2.gz YLIGNQCOVPFPOR-SFHVURJKSA-N 1 0 373.250 3.251 20 10 FGCDRO C[C@H]1CCc2c(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)csc2C1 ZINC000832284316 729702177 /nfs/dbraw/zinc/70/21/77/729702177.db2.gz ILANDPXFWJPHRG-SCLBCKFNSA-N 1 0 357.523 3.369 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(Br)ccc1O ZINC000834849638 729839090 /nfs/dbraw/zinc/83/90/90/729839090.db2.gz DMEXVTKSLZQGCM-GOEBONIOSA-N 1 0 371.319 3.042 20 10 FGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(C)C ZINC000834880065 729841629 /nfs/dbraw/zinc/84/16/29/729841629.db2.gz HKPSMHLXLUPHTL-NHYWBVRUSA-N 1 0 357.292 3.308 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cncc(F)c1 ZINC000840761303 730170599 /nfs/dbraw/zinc/17/05/99/730170599.db2.gz VQXAPSIJLFSKGP-GFCCVEGCSA-N 1 0 351.372 3.186 20 10 FGCDRO COc1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)ccc1OCCO ZINC000840881558 730187458 /nfs/dbraw/zinc/18/74/58/730187458.db2.gz ONVSLWGKUANHKV-UHFFFAOYSA-N 1 0 351.830 3.024 20 10 FGCDRO COc1cccc(O)c1C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000840959776 730197636 /nfs/dbraw/zinc/19/76/36/730197636.db2.gz UXGSKAPESHWCEN-INIZCTEOSA-N 1 0 366.255 3.329 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1O ZINC000840964262 730198332 /nfs/dbraw/zinc/19/83/32/730198332.db2.gz VPDMYMSYYKCPNQ-CQSZACIVSA-N 1 0 368.246 3.468 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841087431 730209173 /nfs/dbraw/zinc/20/91/73/730209173.db2.gz NMTMPLFWHSLBOU-BBRMVZONSA-N 1 0 353.304 3.427 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)cc1O ZINC000841743846 730269922 /nfs/dbraw/zinc/26/99/22/730269922.db2.gz CKUOORGDBPKOGQ-GFCCVEGCSA-N 1 0 353.871 3.441 20 10 FGCDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(Br)cc1O ZINC000841760284 730271625 /nfs/dbraw/zinc/27/16/25/730271625.db2.gz DOJPOGXXZGJAIC-LBPRGKRZSA-N 1 0 372.303 3.373 20 10 FGCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841855568 730281524 /nfs/dbraw/zinc/28/15/24/730281524.db2.gz BNQFVIYVUUQEON-HUUCEWRRSA-N 1 0 368.572 3.047 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)cc2Cl)C1 ZINC000841896584 730284010 /nfs/dbraw/zinc/28/40/10/730284010.db2.gz LTMQXSOUACETFA-GUYCJALGSA-N 1 0 364.921 3.113 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NCC(C)(C)[NH3+])cc2Cl)C1 ZINC000841897526 730284191 /nfs/dbraw/zinc/28/41/91/730284191.db2.gz WDBHSIQKGDQKSX-ZDUSSCGKSA-N 1 0 352.910 3.113 20 10 FGCDRO C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@H](C)[NH3+] ZINC000841897351 730284240 /nfs/dbraw/zinc/28/42/40/730284240.db2.gz XUDXKXNLOBGTAG-HZSPNIEDSA-N 1 0 352.910 3.111 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1O ZINC000842477911 730507022 /nfs/dbraw/zinc/50/70/22/730507022.db2.gz CEIGCMMPWOFTCA-ZWKOTPCHSA-N 1 0 362.832 3.314 20 10 FGCDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843051631 730574295 /nfs/dbraw/zinc/57/42/95/730574295.db2.gz APTBVQYAQFNJLS-INIZCTEOSA-N 1 0 366.347 3.481 20 10 FGCDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1O ZINC000843118292 730588178 /nfs/dbraw/zinc/58/81/78/730588178.db2.gz XORWLVXTFJPIJX-INIZCTEOSA-N 1 0 362.271 3.005 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(Br)cc1 ZINC000843351269 730609648 /nfs/dbraw/zinc/60/96/48/730609648.db2.gz IOWPUBXTKGNTNS-UHFFFAOYSA-N 1 0 374.282 3.299 20 10 FGCDRO COc1cc(C[NH2+]Cc2cccc(C)c2O)c(Br)cc1O ZINC000843437625 730621101 /nfs/dbraw/zinc/62/11/01/730621101.db2.gz QHNYWAPGGOGYKN-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000846054487 730924035 /nfs/dbraw/zinc/92/40/35/730924035.db2.gz CFUWZYYRTLFLBT-LBPRGKRZSA-N 1 0 353.871 3.342 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c1O ZINC000846142531 730931824 /nfs/dbraw/zinc/93/18/24/730931824.db2.gz AQIAVHMCNUMGQO-SWLSCSKDSA-N 1 0 350.459 3.355 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000846206257 730936486 /nfs/dbraw/zinc/93/64/86/730936486.db2.gz OQHVZEDCHPSEMC-NHYWBVRUSA-N 1 0 367.287 3.206 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccccn2)c1O ZINC000848514925 731173804 /nfs/dbraw/zinc/17/38/04/731173804.db2.gz TYANVONXFJCIGY-NSHDSACASA-N 1 0 351.244 3.452 20 10 FGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848527039 731175735 /nfs/dbraw/zinc/17/57/35/731175735.db2.gz PNQBEHWKJREFFZ-WDEREUQCSA-N 1 0 373.291 3.119 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)c1O ZINC000848529525 731175907 /nfs/dbraw/zinc/17/59/07/731175907.db2.gz PHDRETZIGXFXOF-GVXVVHGQSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000848533684 731176652 /nfs/dbraw/zinc/17/66/52/731176652.db2.gz JRFLHNPPSGOSIJ-JTQLQIEISA-N 1 0 373.291 3.119 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000848533157 731176698 /nfs/dbraw/zinc/17/66/98/731176698.db2.gz OKKYYOAZYBEKNI-BXKDBHETSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccncc2)c1O ZINC000848533585 731176969 /nfs/dbraw/zinc/17/69/69/731176969.db2.gz SVVYGPGOUMXVMS-LLVKDONJSA-N 1 0 351.244 3.452 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1O ZINC000848573671 731184484 /nfs/dbraw/zinc/18/44/84/731184484.db2.gz IPPDHTKZOFPCJI-JSGCOSHPSA-N 1 0 358.360 3.435 20 10 FGCDRO CCc1cccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1O ZINC000848897333 731218737 /nfs/dbraw/zinc/21/87/37/731218737.db2.gz PEAZNDORTGJKOM-INIZCTEOSA-N 1 0 363.841 3.202 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)nc4sc(C)cn34)C2)cc1 ZINC000850345667 731344945 /nfs/dbraw/zinc/34/49/45/731344945.db2.gz HLCNTGCZOOQVMM-HNNXBMFYSA-N 1 0 356.495 3.390 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1O ZINC000850352019 731347051 /nfs/dbraw/zinc/34/70/51/731347051.db2.gz YSPICPVBTTYSSA-CYBMUJFWSA-N 1 0 357.292 3.126 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c1O ZINC000850372813 731349595 /nfs/dbraw/zinc/34/95/95/731349595.db2.gz ZIDMGUNHOVZFSB-GJZGRUSLSA-N 1 0 364.239 3.431 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(Cl)c1 ZINC000850396652 731351732 /nfs/dbraw/zinc/35/17/32/731351732.db2.gz ZUCIZLAGFFPQOX-QZTJIDSGSA-N 1 0 350.890 3.087 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)OCO2 ZINC000850397469 731352263 /nfs/dbraw/zinc/35/22/63/731352263.db2.gz FMYVYQSBLBOMBI-AWEZNQCLSA-N 1 0 356.205 3.251 20 10 FGCDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850505916 731365925 /nfs/dbraw/zinc/36/59/25/731365925.db2.gz DANPMDPZHOIZGV-MSOLQXFVSA-N 1 0 366.571 3.472 20 10 FGCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000850545575 731371613 /nfs/dbraw/zinc/37/16/13/731371613.db2.gz HILXZNLYJOWLTQ-KKXDTOCCSA-N 1 0 350.890 3.131 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000858087188 732178886 /nfs/dbraw/zinc/17/88/86/732178886.db2.gz MKXDGKZYXHJXCD-UHFFFAOYSA-N 1 0 350.212 3.216 20 10 FGCDRO OC[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CCc2ccccc21 ZINC000858184810 732190191 /nfs/dbraw/zinc/19/01/91/732190191.db2.gz PCEIDLZIICVQBB-SFHVURJKSA-N 1 0 362.267 3.121 20 10 FGCDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000862348909 732812459 /nfs/dbraw/zinc/81/24/59/732812459.db2.gz YMNNOJIUOHFBOW-RNCFNFMXSA-N 1 0 368.193 3.290 20 10 FGCDRO COCCc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000865432456 733199324 /nfs/dbraw/zinc/19/93/24/733199324.db2.gz XWBZMKGRWACATI-HNNXBMFYSA-N 1 0 361.511 3.019 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1O ZINC000866531278 733361158 /nfs/dbraw/zinc/36/11/58/733361158.db2.gz FHXZACVQPSMMHS-GXTWGEPZSA-N 1 0 370.287 3.391 20 10 FGCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000877464424 736222511 /nfs/dbraw/zinc/22/25/11/736222511.db2.gz JBUJGJHLEOHQMH-UHFFFAOYSA-N 1 0 372.416 3.283 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1O ZINC000877728345 736710406 /nfs/dbraw/zinc/71/04/06/736710406.db2.gz CSPDEQWEWSQAPK-OAHLLOKOSA-N 1 0 370.287 3.138 20 10 FGCDRO CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853488 737390223 /nfs/dbraw/zinc/39/02/23/737390223.db2.gz YBAFGAKLHGZDMN-OAHLLOKOSA-N 1 0 357.420 3.033 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC23CCSCC3)[NH+](C)C)cc1 ZINC000891247843 739885762 /nfs/dbraw/zinc/88/57/62/739885762.db2.gz KTPZVZCUMPCHGD-MSOLQXFVSA-N 1 0 361.555 3.005 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)c(O)c1OC ZINC000893087834 742107906 /nfs/dbraw/zinc/10/79/06/742107906.db2.gz FWLWOFXMHCJHMK-QFYYESIMSA-N 1 0 369.820 3.414 20 10 FGCDRO CCCNC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893920801 742213869 /nfs/dbraw/zinc/21/38/69/742213869.db2.gz YFVCLCVJLQBDQJ-UHFFFAOYSA-N 1 0 373.266 3.032 20 10 FGCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000894562227 742299642 /nfs/dbraw/zinc/29/96/42/742299642.db2.gz FDXXDSJBAMSTBQ-UHFFFAOYSA-N 1 0 369.870 3.056 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)c(O)c1OC ZINC000895454974 742414176 /nfs/dbraw/zinc/41/41/76/742414176.db2.gz ODBUPBDBHXPXAT-UHFFFAOYSA-N 1 0 357.328 3.440 20 10 FGCDRO C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccccc1O ZINC000895459695 742414707 /nfs/dbraw/zinc/41/47/07/742414707.db2.gz GEVVBIMVUKDYCC-NSHDSACASA-N 1 0 353.875 3.190 20 10 FGCDRO Cn1ccc(C2CC[NH+](Cc3ccc(Br)cc3O)CC2)n1 ZINC000896494199 742558549 /nfs/dbraw/zinc/55/85/49/742558549.db2.gz CIZUBTGDKCOOBC-UHFFFAOYSA-N 1 0 350.260 3.268 20 10 FGCDRO Cc1nc(CC2CC[NH+](Cc3c(O)cccc3Br)CC2)no1 ZINC000896549203 742564091 /nfs/dbraw/zinc/56/40/91/742564091.db2.gz GEFHSAODSJSMLY-UHFFFAOYSA-N 1 0 366.259 3.301 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000897616649 742695909 /nfs/dbraw/zinc/69/59/09/742695909.db2.gz VNMGNCLJVMAQIN-GFCCVEGCSA-N 1 0 353.344 3.199 20 10 FGCDRO OC1CC2(C[C@H]2[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000897843593 742718036 /nfs/dbraw/zinc/71/80/36/742718036.db2.gz COTGSOZPKIBYHY-ZCDVPAHGSA-N 1 0 365.315 3.442 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC23CCOCC3)c(C(F)(F)F)c1 ZINC000898114887 742747920 /nfs/dbraw/zinc/74/79/20/742747920.db2.gz HDFSMTUPYGENDB-INIZCTEOSA-N 1 0 358.404 3.199 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c(Cl)c1 ZINC000898398532 742789165 /nfs/dbraw/zinc/78/91/65/742789165.db2.gz JSEGENIMLHRUJY-DEOSSOPVSA-N 1 0 373.950 3.140 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1O ZINC000898720598 742825223 /nfs/dbraw/zinc/82/52/23/742825223.db2.gz MDPNVZNBOPQKEJ-DGCLKSJQSA-N 1 0 350.260 3.407 20 10 FGCDRO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)s1 ZINC000902439667 743743641 /nfs/dbraw/zinc/74/36/41/743743641.db2.gz UDGRBVIWTCDIRR-CQSZACIVSA-N 1 0 358.463 3.114 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000903172980 743816587 /nfs/dbraw/zinc/81/65/87/743816587.db2.gz HTRMVPRZOBMUFW-SFHVURJKSA-N 1 0 362.495 3.025 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cn(C)nc1OC)c1cc(Br)ccc1O ZINC000903338008 743838859 /nfs/dbraw/zinc/83/88/59/743838859.db2.gz NMPLVPSWEADXSW-CYBMUJFWSA-N 1 0 354.248 3.138 20 10 FGCDRO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nccs3)cc2)CC1 ZINC000916159231 758043811 /nfs/dbraw/zinc/04/38/11/758043811.db2.gz OTPPHVBCUMAMLO-UHFFFAOYSA-N 1 0 362.524 3.016 20 10 FGCDRO Cn1ccc(-c2nc(C[NH2+]CCCSc3nccs3)cs2)n1 ZINC000921754734 758786710 /nfs/dbraw/zinc/78/67/10/758786710.db2.gz NROXYOUCGWGRMT-UHFFFAOYSA-N 1 0 351.526 3.272 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]Cc3c(Cl)n[nH]c3C3CC3)cc2)CC1 ZINC000922263305 758881466 /nfs/dbraw/zinc/88/14/66/758881466.db2.gz VJCMDCAITYQVCY-UHFFFAOYSA-N 1 0 360.889 3.191 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2nc3c(s2)CCC3)c1O ZINC000922471593 758930598 /nfs/dbraw/zinc/93/05/98/758930598.db2.gz WZFRSZHDVGCSGF-UHFFFAOYSA-N 1 0 369.284 3.398 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000922673894 758974615 /nfs/dbraw/zinc/97/46/15/758974615.db2.gz WEKYIQMKVXVHNJ-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924761967 759381819 /nfs/dbraw/zinc/38/18/19/759381819.db2.gz XSNFPBZJBXXZSL-OXJNMPFZSA-N 1 0 352.494 3.206 20 10 FGCDRO CCC1([NH3+])CCN([C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000925756674 759533016 /nfs/dbraw/zinc/53/30/16/759533016.db2.gz ONLMGIKWXOSHKH-OAHLLOKOSA-N 1 0 351.922 3.441 20 10 FGCDRO C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000925781980 759537264 /nfs/dbraw/zinc/53/72/64/759537264.db2.gz JPWWPHXTOMYPPX-UONOGXRCSA-N 1 0 373.875 3.072 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000926909603 759844003 /nfs/dbraw/zinc/84/40/03/759844003.db2.gz YSBINYWDCSYRMO-WFASDCNBSA-N 1 0 363.454 3.315 20 10 FGCDRO Cc1cc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)nn1C ZINC000926912775 759846938 /nfs/dbraw/zinc/84/69/38/759846938.db2.gz YVABCKWGXOBGCD-GFCCVEGCSA-N 1 0 352.276 3.398 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O ZINC000926935552 759851824 /nfs/dbraw/zinc/85/18/24/759851824.db2.gz JTIARJQXVRGRRI-FMSGJZPZSA-N 1 0 368.271 3.405 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000927006795 759874840 /nfs/dbraw/zinc/87/48/40/759874840.db2.gz WEPGNNFCQOHDIZ-LLVKDONJSA-N 1 0 366.259 3.200 20 10 FGCDRO CC[C@H]([NH2+]CCOC1CCOCC1)c1cc(Br)ccc1O ZINC000927079700 759886999 /nfs/dbraw/zinc/88/69/99/759886999.db2.gz OHWSTOGDIGYNMP-HNNXBMFYSA-N 1 0 358.276 3.391 20 10 FGCDRO COC1CCN(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779028073 724382596 /nfs/dbraw/zinc/38/25/96/724382596.db2.gz VXIORNMXTQJIID-CYBMUJFWSA-N 1 0 371.319 3.225 20 10 FGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779049479 724384238 /nfs/dbraw/zinc/38/42/38/724384238.db2.gz HRNPSCXFKQXGFN-NILFDRSVSA-N 1 0 358.276 3.308 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000093597103 494902721 /nfs/dbraw/zinc/90/27/21/494902721.db2.gz PQGGPOBHOMNOAR-CYBMUJFWSA-N 1 0 369.303 3.081 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000090540066 494478900 /nfs/dbraw/zinc/47/89/00/494478900.db2.gz CSFCJKPCSUJCKJ-ILZDJORESA-N 1 0 362.539 3.229 20 10 FGCDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090662170 494492095 /nfs/dbraw/zinc/49/20/95/494492095.db2.gz GXQSZYFZQFXZPR-INIZCTEOSA-N 1 0 350.478 3.256 20 10 FGCDRO COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000091530984 494611807 /nfs/dbraw/zinc/61/18/07/494611807.db2.gz VXVUOGVVECXCRU-HNNXBMFYSA-N 1 0 358.438 3.096 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1O ZINC000121372296 494725912 /nfs/dbraw/zinc/72/59/12/494725912.db2.gz HEQNSRKSSABDLI-UHFFFAOYSA-N 1 0 370.449 3.347 20 10 FGCDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010341 494753019 /nfs/dbraw/zinc/75/30/19/494753019.db2.gz FQJJUQJBEJYRHX-FPOVZHCZSA-N 1 0 368.525 3.356 20 10 FGCDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000121522621 494790675 /nfs/dbraw/zinc/79/06/75/494790675.db2.gz LDTMEUYQKHBPAX-CVEARBPZSA-N 1 0 360.477 3.154 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1O ZINC000093385794 494883135 /nfs/dbraw/zinc/88/31/35/494883135.db2.gz MSCSAYWWTIATGW-UHFFFAOYSA-N 1 0 360.479 3.201 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000093505244 494896238 /nfs/dbraw/zinc/89/62/38/494896238.db2.gz NNFINZFPVUGZKE-BXUZGUMPSA-N 1 0 356.260 3.164 20 10 FGCDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182955751 495774609 /nfs/dbraw/zinc/77/46/09/495774609.db2.gz GACZPXVPDQUVFZ-UHFFFAOYSA-N 1 0 368.477 3.271 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC000180053559 495838868 /nfs/dbraw/zinc/83/88/68/495838868.db2.gz VMVLIGQLNVMDJR-UHFFFAOYSA-N 1 0 367.287 3.050 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190771 495890978 /nfs/dbraw/zinc/89/09/78/495890978.db2.gz ASSASIBSGQDZBR-RDJZCZTQSA-N 1 0 354.450 3.100 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000174276146 495892060 /nfs/dbraw/zinc/89/20/60/495892060.db2.gz CVRXHWUQOOLXQY-UHFFFAOYSA-N 1 0 374.506 3.083 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1O ZINC000155364747 495934522 /nfs/dbraw/zinc/93/45/22/495934522.db2.gz MQLULFZCPZTGBZ-IBGZPJMESA-N 1 0 374.506 3.418 20 10 FGCDRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cc(F)ccc1O ZINC000186350182 495959045 /nfs/dbraw/zinc/95/90/45/495959045.db2.gz XMMXGZADYWDEDS-FZKQIMNGSA-N 1 0 357.429 3.154 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1O ZINC000186412184 495988869 /nfs/dbraw/zinc/98/88/69/495988869.db2.gz DCUWFVHIJYPCAT-GOSISDBHSA-N 1 0 360.479 3.173 20 10 FGCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183467678 495996842 /nfs/dbraw/zinc/99/68/42/495996842.db2.gz IKHSIRHXQSQBEQ-VQIMIIECSA-N 1 0 368.477 3.057 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(Br)ccc1O ZINC000155586644 496004296 /nfs/dbraw/zinc/00/42/96/496004296.db2.gz JPAYDVJSCLCOQI-OCCSQVGLSA-N 1 0 365.275 3.110 20 10 FGCDRO COCCN1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187066424 496277498 /nfs/dbraw/zinc/27/74/98/496277498.db2.gz ASRAUQPFLQWSQP-CYBMUJFWSA-N 1 0 371.319 3.225 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)CC1 ZINC000184284702 496319976 /nfs/dbraw/zinc/31/99/76/496319976.db2.gz WVAKJLXNZYRDLB-UHFFFAOYSA-N 1 0 372.400 3.128 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000178411715 496446737 /nfs/dbraw/zinc/44/67/37/496446737.db2.gz BCZALSZDVGKPKQ-CQSZACIVSA-N 1 0 360.429 3.227 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000178411702 496447013 /nfs/dbraw/zinc/44/70/13/496447013.db2.gz BCZALSZDVGKPKQ-AWEZNQCLSA-N 1 0 360.429 3.227 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000181807042 496553619 /nfs/dbraw/zinc/55/36/19/496553619.db2.gz GGJQKIFOAOOAQQ-UHFFFAOYSA-N 1 0 362.495 3.021 20 10 FGCDRO COc1cc(O)c(CN2CCSC[C@H]2c2nccs2)cc1OC ZINC000184882586 496570123 /nfs/dbraw/zinc/57/01/23/496570123.db2.gz LWRKITIDFRIYHH-LBPRGKRZSA-N 1 0 352.481 3.156 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1O ZINC000185109576 496664644 /nfs/dbraw/zinc/66/46/44/496664644.db2.gz CUOCHUGVGZPSOM-QWHCGFSZSA-N 1 0 366.458 3.193 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185122684 496669414 /nfs/dbraw/zinc/66/94/14/496669414.db2.gz ZYCUXAFZOWEQEN-NWDGAFQWSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1O ZINC000185279162 496723164 /nfs/dbraw/zinc/72/31/64/496723164.db2.gz AXUCSXNTEUWWDS-LBPRGKRZSA-N 1 0 365.836 3.267 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(Br)cc1O ZINC000273402650 496795678 /nfs/dbraw/zinc/79/56/78/496795678.db2.gz NQBCGQQYQOYHSO-LLVKDONJSA-N 1 0 350.260 3.467 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000277519416 496800431 /nfs/dbraw/zinc/80/04/31/496800431.db2.gz PDHOUPNHBZWBAB-BBRMVZONSA-N 1 0 350.459 3.136 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000273446628 496807812 /nfs/dbraw/zinc/80/78/12/496807812.db2.gz KFMCLFJXPJTQOX-QGZVFWFLSA-N 1 0 360.546 3.405 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000226036736 497080486 /nfs/dbraw/zinc/08/04/86/497080486.db2.gz AUBDARJGLJHNDZ-JTQLQIEISA-N 1 0 367.209 3.129 20 10 FGCDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C(F)F)n1 ZINC000274524858 497118014 /nfs/dbraw/zinc/11/80/14/497118014.db2.gz ZKFBPGJANIIOEK-OAHLLOKOSA-N 1 0 351.397 3.245 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)cc1OC ZINC000275144065 497244477 /nfs/dbraw/zinc/24/44/77/497244477.db2.gz PKAGDVNXFWMWCV-UHFFFAOYSA-N 1 0 361.829 3.239 20 10 FGCDRO CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278922976 497268492 /nfs/dbraw/zinc/26/84/92/497268492.db2.gz VCCXOEMRKLJECN-UHFFFAOYSA-N 1 0 373.453 3.441 20 10 FGCDRO Cc1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)s1 ZINC000237666804 497272729 /nfs/dbraw/zinc/27/27/29/497272729.db2.gz LRFMFAWLDZHEDM-JKSUJKDBSA-N 1 0 373.497 3.025 20 10 FGCDRO Cc1noc(CCC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000275326141 497290170 /nfs/dbraw/zinc/29/01/70/497290170.db2.gz LZKLRLWPOVZDKE-JTQLQIEISA-N 1 0 354.248 3.438 20 10 FGCDRO c1csc(NC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000189950761 497304085 /nfs/dbraw/zinc/30/40/85/497304085.db2.gz SYZQAVFNFVAWKL-UHFFFAOYSA-N 1 0 358.511 3.056 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000279570024 497475027 /nfs/dbraw/zinc/47/50/27/497475027.db2.gz SSIRACLFZMUJTI-QWHCGFSZSA-N 1 0 353.426 3.301 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479758 497564615 /nfs/dbraw/zinc/56/46/15/497564615.db2.gz YZWYTGVRWIPOII-XLIONFOSSA-N 1 0 367.493 3.444 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(C)cc1O ZINC000280022124 497623011 /nfs/dbraw/zinc/62/30/11/497623011.db2.gz HMGRTQCAVCQPOZ-GOSISDBHSA-N 1 0 368.543 3.192 20 10 FGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CS1 ZINC000277191828 497771763 /nfs/dbraw/zinc/77/17/63/497771763.db2.gz ITVTUWUFXLXPRU-KXBFYZLASA-N 1 0 352.519 3.407 20 10 FGCDRO O=C(NCc1ccccc1O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000263690232 497808824 /nfs/dbraw/zinc/80/88/24/497808824.db2.gz GKMPNNMQZYAMPL-UHFFFAOYSA-N 1 0 353.466 3.104 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000296060677 497906652 /nfs/dbraw/zinc/90/66/52/497906652.db2.gz ROSUGOGLJOLMTL-IFXJQAMLSA-N 1 0 366.461 3.388 20 10 FGCDRO O=C(Nc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1)[C@@H]1CCCO1 ZINC000296192980 497950941 /nfs/dbraw/zinc/95/09/41/497950941.db2.gz YRJASTGONKIZSE-MJGOQNOKSA-N 1 0 352.434 3.287 20 10 FGCDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000364485653 497982970 /nfs/dbraw/zinc/98/29/70/497982970.db2.gz MBHVKXKLSHZXSH-ZDUSSCGKSA-N 1 0 358.873 3.234 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3cc(C)ccc3O)CC2)c1 ZINC000296458375 498052200 /nfs/dbraw/zinc/05/22/00/498052200.db2.gz NCBUNCKJPVKQJA-HNNXBMFYSA-N 1 0 357.454 3.472 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2ccncc2OCC(F)(F)F)cc1OC ZINC000281265744 498079612 /nfs/dbraw/zinc/07/96/12/498079612.db2.gz NLPFSDNRKVECIP-UHFFFAOYSA-N 1 0 372.343 3.035 20 10 FGCDRO C[C@H]([NH2+][C@@H]1C[C@H](CO)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000364938624 498218882 /nfs/dbraw/zinc/21/88/82/498218882.db2.gz JRUAFCFIPPGLLJ-AQOAWAETSA-N 1 0 352.478 3.395 20 10 FGCDRO CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000285992345 498261064 /nfs/dbraw/zinc/26/10/64/498261064.db2.gz HBVOAYVHHUOFPE-OTWHNJEPSA-N 1 0 350.478 3.340 20 10 FGCDRO Oc1cc2c(cc1C[NH2+][C@H]1c3ccccc3CC13CCOCC3)OCO2 ZINC000289807878 498301236 /nfs/dbraw/zinc/30/12/36/498301236.db2.gz MTHHRYOQJGITDA-FQEVSTJZSA-N 1 0 353.418 3.305 20 10 FGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000365116965 498303744 /nfs/dbraw/zinc/30/37/44/498303744.db2.gz NHJMXJBQAMYWHW-UHFFFAOYSA-N 1 0 350.806 3.296 20 10 FGCDRO FC(F)(F)Oc1ccc(N2CCC([NH2+]Cc3cncnc3)CC2)cc1 ZINC000361331339 498375470 /nfs/dbraw/zinc/37/54/70/498375470.db2.gz OCKHVXLWLDWBSI-UHFFFAOYSA-N 1 0 352.360 3.134 20 10 FGCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(C)n1-c1ccccn1 ZINC000361364596 498380031 /nfs/dbraw/zinc/38/00/31/498380031.db2.gz BUAKSULRNIBAMS-YSIASYRMSA-N 1 0 364.493 3.045 20 10 FGCDRO Oc1cc(F)c(Cl)cc1CNc1cccc(CN2CCOCC2)n1 ZINC000293559444 498411583 /nfs/dbraw/zinc/41/15/83/498411583.db2.gz HWKOIHVWGHKWJY-UHFFFAOYSA-N 1 0 351.809 3.024 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000282441013 498514310 /nfs/dbraw/zinc/51/43/10/498514310.db2.gz NATUOEHDPPJIKY-RDTXWAMCSA-N 1 0 358.461 3.124 20 10 FGCDRO Nc1ncnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000302899990 498621233 /nfs/dbraw/zinc/62/12/33/498621233.db2.gz QHXBWJJNMBPDNI-JTQLQIEISA-N 1 0 369.803 3.395 20 10 FGCDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000298549944 498810869 /nfs/dbraw/zinc/81/08/69/498810869.db2.gz UOKQMAMIRDAJQA-HOTGVXAUSA-N 1 0 361.505 3.156 20 10 FGCDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000366194147 498817966 /nfs/dbraw/zinc/81/79/66/498817966.db2.gz YWZNPQARGQUELI-FQEVSTJZSA-N 1 0 367.493 3.077 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(N2CCCNC2=O)cc1 ZINC000291151691 498818380 /nfs/dbraw/zinc/81/83/80/498818380.db2.gz ZMGNJPMGHZTWSI-HNNXBMFYSA-N 1 0 351.450 3.392 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(O)CCOCC2)c1O ZINC000287706459 498842687 /nfs/dbraw/zinc/84/26/87/498842687.db2.gz XIMVFTJXOXAUJB-LBPRGKRZSA-N 1 0 358.276 3.045 20 10 FGCDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332267 498877795 /nfs/dbraw/zinc/87/77/95/498877795.db2.gz YWWBJEAIWLFANX-UZLBHIALSA-N 1 0 357.885 3.274 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)cc1 ZINC000363722115 498960363 /nfs/dbraw/zinc/96/03/63/498960363.db2.gz JUNYRCXEEYKGFX-CQSZACIVSA-N 1 0 370.497 3.266 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588618 499150125 /nfs/dbraw/zinc/15/01/25/499150125.db2.gz CGPAUWVGGLODPG-CABCVRRESA-N 1 0 374.485 3.175 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1cc2c(cc1O)CCCC2 ZINC000370373334 499214238 /nfs/dbraw/zinc/21/42/38/499214238.db2.gz IPMORLPBEIHGHB-KXBFYZLASA-N 1 0 365.477 3.231 20 10 FGCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000370499053 499226262 /nfs/dbraw/zinc/22/62/62/499226262.db2.gz KJGAWBHRXNCYMI-QGZVFWFLSA-N 1 0 354.450 3.225 20 10 FGCDRO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370711131 499246898 /nfs/dbraw/zinc/24/68/98/499246898.db2.gz ODZNJYSNHBSSAA-CXAGYDPISA-N 1 0 372.340 3.157 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000368753790 499328136 /nfs/dbraw/zinc/32/81/36/499328136.db2.gz MCMHZWXEPROYHM-RVSPLBMKSA-N 1 0 370.287 3.452 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCc3cnc(C4CC4)nc3)CC2)cc1 ZINC000371456787 499329033 /nfs/dbraw/zinc/32/90/33/499329033.db2.gz NCHBYRWGAUAQLX-UHFFFAOYSA-N 1 0 352.482 3.164 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1OC ZINC000371480196 499332391 /nfs/dbraw/zinc/33/23/91/499332391.db2.gz MTSPIXYGBDTWHF-UHFFFAOYSA-N 1 0 371.433 3.210 20 10 FGCDRO CC[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccccc1O ZINC000372337633 499422105 /nfs/dbraw/zinc/42/21/05/499422105.db2.gz NRWBSHCOGSVUHI-AAEUAGOBSA-N 1 0 354.376 3.349 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000373185434 499456028 /nfs/dbraw/zinc/45/60/28/499456028.db2.gz IMPUTFXOGRVVJD-FZKQIMNGSA-N 1 0 361.511 3.166 20 10 FGCDRO COCc1nccc([C@@H]2CCC[N@@H+]([C@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000373609418 499479714 /nfs/dbraw/zinc/47/97/14/499479714.db2.gz NZXIYBUFECDJRM-HUUCEWRRSA-N 1 0 357.454 3.278 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3cccs3)CC2)c1O ZINC000378357209 499506438 /nfs/dbraw/zinc/50/64/38/499506438.db2.gz VFNXTCSJCVQGDQ-UHFFFAOYSA-N 1 0 360.479 3.247 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)cc1C ZINC000378528907 499528703 /nfs/dbraw/zinc/52/87/03/499528703.db2.gz AZBLWVBBJADEJX-IBGZPJMESA-N 1 0 362.477 3.296 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1)c1ccccc1O ZINC000377627501 499712767 /nfs/dbraw/zinc/71/27/67/499712767.db2.gz MJLBGAYBIZQMFY-IXDOHACOSA-N 1 0 358.486 3.436 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412306884 499843255 /nfs/dbraw/zinc/84/32/55/499843255.db2.gz QBPSUHSDCPPJML-KRWDZBQOSA-N 1 0 371.550 3.320 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CS[C@@H](C)C2)C1 ZINC000412614894 499869044 /nfs/dbraw/zinc/86/90/44/499869044.db2.gz QVQVXQLFZXFYAT-JKSUJKDBSA-N 1 0 371.550 3.418 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C)[C@@H]2C)C1 ZINC000435911266 501045260 /nfs/dbraw/zinc/04/52/60/501045260.db2.gz KGCODUPZVHCSMQ-IRXDYDNUSA-N 1 0 369.509 3.044 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000471907626 502169247 /nfs/dbraw/zinc/16/92/47/502169247.db2.gz BYBKGNKQQZHAIE-INIZCTEOSA-N 1 0 354.498 3.303 20 10 FGCDRO CCOc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)c(O)c1 ZINC000527776217 503938224 /nfs/dbraw/zinc/93/82/24/503938224.db2.gz ZXTOJOAALRPYDP-GOSISDBHSA-N 1 0 356.466 3.164 20 10 FGCDRO CCOCc1cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)ccc1OC ZINC000527807883 503953556 /nfs/dbraw/zinc/95/35/56/503953556.db2.gz PQHCLFVLDLOSEV-IBGZPJMESA-N 1 0 354.450 3.148 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)ccc21 ZINC000518432171 503982814 /nfs/dbraw/zinc/98/28/14/503982814.db2.gz MJHCSUUSXKECOQ-NRFANRHFSA-N 1 0 369.509 3.071 20 10 FGCDRO CO[C@H]1C[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000557444070 505136219 /nfs/dbraw/zinc/13/62/19/505136219.db2.gz KTONNXPCKRDILQ-CALCHBBNSA-N 1 0 369.509 3.044 20 10 FGCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)ccc21 ZINC000826033964 608507177 /nfs/dbraw/zinc/50/71/77/608507177.db2.gz MHWWHGYUYSMHCK-FQEVSTJZSA-N 1 0 374.492 3.416 20 10 FGCDRO c1csc(SCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)n1 ZINC000826527054 608513928 /nfs/dbraw/zinc/51/39/28/608513928.db2.gz XLVHAKUVUGMLPJ-HNNXBMFYSA-N 1 0 372.523 3.473 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618663 609138475 /nfs/dbraw/zinc/13/84/75/609138475.db2.gz QQJQUYJSJOPFPO-ZDUSSCGKSA-N 1 0 366.444 3.239 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646606 700453041 /nfs/dbraw/zinc/45/30/41/700453041.db2.gz HVYQCXOOSUUVAN-PMACEKPBSA-N 1 0 364.555 3.465 20 10 FGCDRO O=C(Nc1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1)[C@H]1CCCO1 ZINC000113327878 700571012 /nfs/dbraw/zinc/57/10/12/700571012.db2.gz VHXYRIPQPPFNNM-GOSISDBHSA-N 1 0 360.841 3.453 20 10 FGCDRO CCCn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000116917779 700597956 /nfs/dbraw/zinc/59/79/56/700597956.db2.gz SEUGFGUSRSHEBV-SFHVURJKSA-N 1 0 362.905 3.406 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1O ZINC000125222108 700732614 /nfs/dbraw/zinc/73/26/14/700732614.db2.gz OYPJPQFTUBKBCZ-MAUKXSAKSA-N 1 0 360.841 3.116 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1O ZINC000125221855 700732715 /nfs/dbraw/zinc/73/27/15/700732715.db2.gz OYPJPQFTUBKBCZ-QAPCUYQASA-N 1 0 360.841 3.116 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000129820519 700792374 /nfs/dbraw/zinc/79/23/74/700792374.db2.gz NUNBAGRYPOSYTE-YJBOKZPZSA-N 1 0 350.478 3.254 20 10 FGCDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000131850974 700820665 /nfs/dbraw/zinc/82/06/65/700820665.db2.gz YAFIESMHYFDPFG-AEFFLSMTSA-N 1 0 351.510 3.289 20 10 FGCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)C[NH+]1CCCCC1 ZINC000152614485 704967826 /nfs/dbraw/zinc/96/78/26/704967826.db2.gz ABDBUYUPLFPFCK-AWEZNQCLSA-N 1 0 356.561 3.047 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1F ZINC000154861115 705052352 /nfs/dbraw/zinc/05/23/52/705052352.db2.gz YMWLZVGWKZNVFO-UHFFFAOYSA-N 1 0 351.466 3.381 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000179450530 705702387 /nfs/dbraw/zinc/70/23/87/705702387.db2.gz UJPZSAFKDHRHPQ-CQSZACIVSA-N 1 0 350.459 3.090 20 10 FGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000179562182 705705478 /nfs/dbraw/zinc/70/54/78/705705478.db2.gz WECYXTJTPOBANN-AWEZNQCLSA-N 1 0 355.356 3.283 20 10 FGCDRO CCOc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000194754465 713532868 /nfs/dbraw/zinc/53/28/68/713532868.db2.gz VKLFXVIWDCUYST-FOWTUZBSSA-N 1 0 362.520 3.381 20 10 FGCDRO C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249740812 713669457 /nfs/dbraw/zinc/66/94/57/713669457.db2.gz IXVHOBJYZMWYFY-IXDOHACOSA-N 1 0 361.555 3.117 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000749924364 722748151 /nfs/dbraw/zinc/74/81/51/722748151.db2.gz PYKPXYXJHPMMDW-KRWDZBQOSA-N 1 0 360.841 3.339 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cc(Br)ccc1O ZINC000756635659 722968064 /nfs/dbraw/zinc/96/80/64/722968064.db2.gz GMOVHUTYQGBWFD-NHYWBVRUSA-N 1 0 359.333 3.243 20 10 FGCDRO CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)ccc1O ZINC000774381284 723887054 /nfs/dbraw/zinc/88/70/54/723887054.db2.gz AXVNSQYYNSNRJG-OAHLLOKOSA-N 1 0 369.303 3.060 20 10 FGCDRO Cn1ncc(Cl)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000780532081 724476699 /nfs/dbraw/zinc/47/66/99/724476699.db2.gz IQGOZWXTMQPNKY-CQSZACIVSA-N 1 0 369.296 3.187 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1O ZINC000700781179 722409832 /nfs/dbraw/zinc/40/98/32/722409832.db2.gz TUGDOPMSGFIMTG-HIFRSBDPSA-N 1 0 350.459 3.278 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000728945461 722455998 /nfs/dbraw/zinc/45/59/98/722455998.db2.gz USCKQLFYIOHUOR-LRDDRELGSA-N 1 0 363.483 3.125 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000735744551 722519068 /nfs/dbraw/zinc/51/90/68/722519068.db2.gz SVGAVFUEYWFABO-INIZCTEOSA-N 1 0 357.420 3.128 20 10 FGCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000740856908 722538508 /nfs/dbraw/zinc/53/85/08/722538508.db2.gz XNSOIAYVMJGWIV-CQSZACIVSA-N 1 0 361.463 3.035 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O ZINC000742377604 722556602 /nfs/dbraw/zinc/55/66/02/722556602.db2.gz WFMCROVSKTUYOT-WQVCFCJDSA-N 1 0 370.287 3.457 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746778126 722617812 /nfs/dbraw/zinc/61/78/12/722617812.db2.gz SZHPERLZWZARHR-QGZVFWFLSA-N 1 0 361.873 3.490 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000749397754 722727434 /nfs/dbraw/zinc/72/74/34/722727434.db2.gz UIXWDVHBKTWRIP-UHFFFAOYSA-N 1 0 373.254 3.084 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C2(CCO)CCCCC2)c1O ZINC000751152653 722796583 /nfs/dbraw/zinc/79/65/83/722796583.db2.gz LJAZTMJZKJZNFO-UHFFFAOYSA-N 1 0 358.276 3.338 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000753731325 722910885 /nfs/dbraw/zinc/91/08/85/722910885.db2.gz NBSPJBIIZYIZEK-VQIMIIECSA-N 1 0 350.528 3.295 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756460407 722965044 /nfs/dbraw/zinc/96/50/44/722965044.db2.gz ZTQFOXRJHRVYCC-OAHLLOKOSA-N 1 0 359.491 3.396 20 10 FGCDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(Br)cc1O ZINC000756475073 722965293 /nfs/dbraw/zinc/96/52/93/722965293.db2.gz IEJKLTGKIYCGMR-LBPRGKRZSA-N 1 0 363.255 3.122 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(Br)cc1O ZINC000756582962 722967193 /nfs/dbraw/zinc/96/71/93/722967193.db2.gz MBCMFEHNCLZQQL-SGMGOOAPSA-N 1 0 369.303 3.452 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cc(Br)ccc1O ZINC000756661333 722968422 /nfs/dbraw/zinc/96/84/22/722968422.db2.gz QVAUSFPPJWVVBL-VXGBXAGGSA-N 1 0 354.244 3.250 20 10 FGCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Br)ccc1O ZINC000757799914 722979891 /nfs/dbraw/zinc/97/98/91/722979891.db2.gz LJBONBIJINYHAN-CZUORRHYSA-N 1 0 356.260 3.366 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000791004482 723204631 /nfs/dbraw/zinc/20/46/31/723204631.db2.gz JYFNXEZDSWZXSH-CQSZACIVSA-N 1 0 351.393 3.010 20 10 FGCDRO Fc1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc1N1CCOCC1 ZINC000762612589 723262055 /nfs/dbraw/zinc/26/20/55/723262055.db2.gz GYMZTDJOCUCPIU-NJAFHUGGSA-N 1 0 368.543 3.132 20 10 FGCDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792895876 723378486 /nfs/dbraw/zinc/37/84/86/723378486.db2.gz XUKQRHFWGWFTHI-UHFFFAOYSA-N 1 0 354.420 3.454 20 10 FGCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@H]1C ZINC000792922000 723382609 /nfs/dbraw/zinc/38/26/09/723382609.db2.gz ULYZAWBNOVUTHR-IEZWGBDMSA-N 1 0 362.539 3.307 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000793265253 723418845 /nfs/dbraw/zinc/41/88/45/723418845.db2.gz HHZBKGDUMMKAOS-INIZCTEOSA-N 1 0 363.255 3.088 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(O)c(OC)cc2Br)c(O)c1 ZINC000793386784 723432765 /nfs/dbraw/zinc/43/27/65/723432765.db2.gz ZRIWGWSEABQWDG-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000765329545 723506243 /nfs/dbraw/zinc/50/62/43/723506243.db2.gz WBLGOFFVUAHAMU-KRWDZBQOSA-N 1 0 360.523 3.408 20 10 FGCDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765440276 723513564 /nfs/dbraw/zinc/51/35/64/723513564.db2.gz MNUBZFUWBZJZDT-HUUCEWRRSA-N 1 0 360.889 3.248 20 10 FGCDRO CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(C)cc1O ZINC000794816714 723547714 /nfs/dbraw/zinc/54/77/14/723547714.db2.gz OGSRKFZMDBNPKY-OAHLLOKOSA-N 1 0 368.524 3.124 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCN1C ZINC000765991641 723550323 /nfs/dbraw/zinc/55/03/23/723550323.db2.gz DNPUMXTURQIDRH-OLMNPRSZSA-N 1 0 351.922 3.082 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000796529242 723641672 /nfs/dbraw/zinc/64/16/72/723641672.db2.gz MXXNFMIHECAOSC-QWHCGFSZSA-N 1 0 362.499 3.170 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000796528902 723641776 /nfs/dbraw/zinc/64/17/76/723641776.db2.gz JWSLWEURQOCKEI-ZJUUUORDSA-N 1 0 368.890 3.212 20 10 FGCDRO CCOc1cc(NC2CC[NH+](Cc3c(O)cccc3Cl)CC2)ncn1 ZINC000768536431 723660775 /nfs/dbraw/zinc/66/07/75/723660775.db2.gz WXYNGPCHDIAXJA-UHFFFAOYSA-N 1 0 362.861 3.311 20 10 FGCDRO O=C(/C=C\c1ccco1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911116 723671912 /nfs/dbraw/zinc/67/19/12/723671912.db2.gz CCUZORLQNLCZHB-IOBAAEILSA-N 1 0 360.841 3.433 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000769387143 723683937 /nfs/dbraw/zinc/68/39/37/723683937.db2.gz JBOYAMKZDKPXLN-IBGZPJMESA-N 1 0 360.885 3.205 20 10 FGCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000771054508 723726874 /nfs/dbraw/zinc/72/68/74/723726874.db2.gz URUCOZYECHSIJV-MFKMUULPSA-N 1 0 364.795 3.325 20 10 FGCDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)[nH]1 ZINC000771066168 723727171 /nfs/dbraw/zinc/72/71/71/723727171.db2.gz OQISMIOAAJPDCK-INIZCTEOSA-N 1 0 361.873 3.385 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnn1C ZINC000774169662 723865644 /nfs/dbraw/zinc/86/56/44/723865644.db2.gz SXHPJNXOBLMMRV-ZDUSSCGKSA-N 1 0 350.413 3.341 20 10 FGCDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1F ZINC000774820588 723933092 /nfs/dbraw/zinc/93/30/92/723933092.db2.gz BXQNMZHDVOJZJA-UHFFFAOYSA-N 1 0 350.346 3.089 20 10 FGCDRO COc1c([O-])c(C[NH2+]CCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000775031948 723954476 /nfs/dbraw/zinc/95/44/76/723954476.db2.gz WCIFIKPWMPGMPX-UHFFFAOYSA-N 1 0 351.447 3.055 20 10 FGCDRO O=C1[C@@H]([NH2+]Cc2ccccc2O)CCN1c1cccc(Br)c1 ZINC000775034267 723954519 /nfs/dbraw/zinc/95/45/19/723954519.db2.gz PGHDSZPILIQUDZ-HNNXBMFYSA-N 1 0 361.239 3.050 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)c1 ZINC000775371930 723986041 /nfs/dbraw/zinc/98/60/41/723986041.db2.gz VOCOPXIMWWIBKR-SNVBAGLBSA-N 1 0 360.845 3.495 20 10 FGCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000775726745 724031861 /nfs/dbraw/zinc/03/18/61/724031861.db2.gz YQNNTEQURVURAR-FQEVSTJZSA-N 1 0 357.523 3.073 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000775738324 724035195 /nfs/dbraw/zinc/03/51/95/724035195.db2.gz ANNSUMRIPXRENT-KBPBESRZSA-N 1 0 350.459 3.136 20 10 FGCDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000775832092 724068866 /nfs/dbraw/zinc/06/88/66/724068866.db2.gz XOHAKJKAAMKXTF-ZFWWWQNUSA-N 1 0 357.420 3.204 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1OC ZINC000776219714 724120877 /nfs/dbraw/zinc/12/08/77/724120877.db2.gz GUSAJYPDTWVBAG-XTZNXHDOSA-N 1 0 369.820 3.414 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787424103 725027921 /nfs/dbraw/zinc/02/79/21/725027921.db2.gz HQFFKDIAZXIFNK-OAHLLOKOSA-N 1 0 367.287 3.130 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c(O)c1 ZINC000788823831 725090015 /nfs/dbraw/zinc/09/00/15/725090015.db2.gz QMZPUOKOILLPNZ-KRWDZBQOSA-N 1 0 361.507 3.317 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)c(C(F)(F)F)c1 ZINC000808431290 725200882 /nfs/dbraw/zinc/20/08/82/725200882.db2.gz QGWWPAGFEYJWCH-HNNXBMFYSA-N 1 0 353.388 3.032 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1O ZINC000808718749 725214679 /nfs/dbraw/zinc/21/46/79/725214679.db2.gz QVQUGBSMPMNXLB-SMDDNHRTSA-N 1 0 366.811 3.268 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000809663666 725257454 /nfs/dbraw/zinc/25/74/54/725257454.db2.gz SPPOQHLVMOMMOT-MAUKXSAKSA-N 1 0 362.495 3.190 20 10 FGCDRO Cc1cc(Cl)cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1O ZINC000809751000 725264887 /nfs/dbraw/zinc/26/48/87/725264887.db2.gz MQMVCKSYUMMFNF-DFNIBXOVSA-N 1 0 363.933 3.097 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000809767803 725266742 /nfs/dbraw/zinc/26/67/42/725266742.db2.gz UOESEPKYJPPDGZ-IUODEOHRSA-N 1 0 369.303 3.079 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000809783423 725268382 /nfs/dbraw/zinc/26/83/82/725268382.db2.gz CDLBSNKEZOTIIT-CQSZACIVSA-N 1 0 362.857 3.454 20 10 FGCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000810179996 725295068 /nfs/dbraw/zinc/29/50/68/725295068.db2.gz KXEHAEDMLPUUCW-GFCCVEGCSA-N 1 0 359.308 3.373 20 10 FGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810238800 725298929 /nfs/dbraw/zinc/29/89/29/725298929.db2.gz SRULDNPBZHIWCO-GFCCVEGCSA-N 1 0 351.390 3.029 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000813788827 726914458 /nfs/dbraw/zinc/91/44/58/726914458.db2.gz ZPPPTEWDVGEATH-HOTGVXAUSA-N 1 0 350.434 3.059 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000813788249 726914463 /nfs/dbraw/zinc/91/44/63/726914463.db2.gz BGDLSKLZROZJGX-KBPBESRZSA-N 1 0 358.841 3.483 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000814176956 726945065 /nfs/dbraw/zinc/94/50/65/726945065.db2.gz WEXLVDJXEQSAAU-XJKSGUPXSA-N 1 0 350.434 3.363 20 10 FGCDRO O=S(=O)(CCC[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000815166924 727047646 /nfs/dbraw/zinc/04/76/46/727047646.db2.gz XVTJKFMQHCRHLE-UHFFFAOYSA-N 1 0 365.882 3.229 20 10 FGCDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1=O ZINC000817589867 727268932 /nfs/dbraw/zinc/26/89/32/727268932.db2.gz QORODCSUUQZFMD-OLZOCXBDSA-N 1 0 369.303 3.372 20 10 FGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Br)nc1 ZINC000817942080 727288971 /nfs/dbraw/zinc/28/89/71/727288971.db2.gz MDRRKEPELLCUSW-LRDDRELGSA-N 1 0 363.303 3.261 20 10 FGCDRO Cc1ccc(OC[C@H](O)C[NH2+]CCCSc2nccs2)c(C)c1 ZINC000819063718 727343655 /nfs/dbraw/zinc/34/36/55/727343655.db2.gz QBGXKTBWJMLEHQ-OAHLLOKOSA-N 1 0 352.525 3.272 20 10 FGCDRO COCCOc1ccc(C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825107067 729371108 /nfs/dbraw/zinc/37/11/08/729371108.db2.gz DREHJZBKYQDGPQ-UHFFFAOYSA-N 1 0 366.255 3.470 20 10 FGCDRO C[C@](CO)([NH2+]Cc1cc2c(cc1O)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000825129951 729372066 /nfs/dbraw/zinc/37/20/66/729372066.db2.gz IPSBSCOKZRDHOG-QGZVFWFLSA-N 1 0 370.232 3.425 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1Cl ZINC000825126015 729372089 /nfs/dbraw/zinc/37/20/89/729372089.db2.gz NSORELNCNYZZNU-UHFFFAOYSA-N 1 0 360.885 3.476 20 10 FGCDRO COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccc1OCCO ZINC000825131808 729372274 /nfs/dbraw/zinc/37/22/74/729372274.db2.gz TUMYRUOXXPHSEJ-UHFFFAOYSA-N 1 0 351.830 3.024 20 10 FGCDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(C)n1-c1ccccc1C ZINC000825201307 729374430 /nfs/dbraw/zinc/37/44/30/729374430.db2.gz JOMWHHJOQWCOCY-MRXNPFEDSA-N 1 0 353.388 3.412 20 10 FGCDRO CC(C)c1noc(CCC[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000825215186 729374758 /nfs/dbraw/zinc/37/47/58/729374758.db2.gz PMYQJVBSXAYZHI-UHFFFAOYSA-N 1 0 354.248 3.384 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000825319821 729378710 /nfs/dbraw/zinc/37/87/10/729378710.db2.gz CVXHPIBJCRQQBK-MPGHIAIKSA-N 1 0 352.425 3.414 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000825405062 729381954 /nfs/dbraw/zinc/38/19/54/729381954.db2.gz BUCFSJNRVSGXPG-CQSZACIVSA-N 1 0 356.260 3.320 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1Cl ZINC000825490262 729384949 /nfs/dbraw/zinc/38/49/49/729384949.db2.gz VLZQARLQBFGWKJ-KRWDZBQOSA-N 1 0 359.857 3.030 20 10 FGCDRO COc1cc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000825556637 729387622 /nfs/dbraw/zinc/38/76/22/729387622.db2.gz TWAKJZMDQQGDPZ-ZDUSSCGKSA-N 1 0 350.503 3.433 20 10 FGCDRO COc1cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000825556635 729387685 /nfs/dbraw/zinc/38/76/85/729387685.db2.gz TWAKJZMDQQGDPZ-CYBMUJFWSA-N 1 0 350.503 3.433 20 10 FGCDRO OCCN(Cc1ccc(Br)cc1O)Cc1cccnc1Cl ZINC000825752732 729394006 /nfs/dbraw/zinc/39/40/06/729394006.db2.gz IHPYZSSFHJZLSA-UHFFFAOYSA-N 1 0 371.662 3.198 20 10 FGCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1)C(N)=O ZINC000826036664 729403092 /nfs/dbraw/zinc/40/30/92/729403092.db2.gz OAKYKIYLKHSLIR-GFCCVEGCSA-N 1 0 369.303 3.268 20 10 FGCDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1CCOCC1 ZINC000826872881 729417582 /nfs/dbraw/zinc/41/75/82/729417582.db2.gz ZGYSEZULEIAAQW-QGZVFWFLSA-N 1 0 360.420 3.303 20 10 FGCDRO CN(C)c1ccc(C[N@H+](CCOCCO)C2CCC2)c(C(F)(F)F)c1 ZINC000827203938 729426892 /nfs/dbraw/zinc/42/68/92/729426892.db2.gz ILZRRUWWICVOIO-UHFFFAOYSA-N 1 0 360.420 3.135 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CC2(O)CCC(F)(F)CC2)c1O ZINC000827648590 729432851 /nfs/dbraw/zinc/43/28/51/729432851.db2.gz BKFCYAPHZSAYQB-UHFFFAOYSA-N 1 0 364.230 3.493 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1O ZINC000827837180 729435716 /nfs/dbraw/zinc/43/57/16/729435716.db2.gz AYUFKDCFELRGTM-ZDUSSCGKSA-N 1 0 361.747 3.295 20 10 FGCDRO C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267035 729700818 /nfs/dbraw/zinc/70/08/18/729700818.db2.gz LRCGXJGPHKNZHE-IFXJQAMLSA-N 1 0 359.901 3.401 20 10 FGCDRO CCNc1ccc(Cl)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283919 729701997 /nfs/dbraw/zinc/70/19/97/729701997.db2.gz DCSRUGMOVFKTHR-QGZVFWFLSA-N 1 0 360.889 3.268 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000834452159 729804392 /nfs/dbraw/zinc/80/43/92/729804392.db2.gz HEKVBVOTJDPJKC-NSHDSACASA-N 1 0 364.287 3.324 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000834798454 729834928 /nfs/dbraw/zinc/83/49/28/729834928.db2.gz GIGCYQWHIIJXLH-WZRBSPASSA-N 1 0 360.483 3.046 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCNC(=O)c2ccccc2Cl)cc1 ZINC000835039670 729852128 /nfs/dbraw/zinc/85/21/28/729852128.db2.gz JYPPTEUQJRIRNB-WAYWQWQTSA-N 1 0 357.885 3.439 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c(Cl)c1 ZINC000840874665 730186699 /nfs/dbraw/zinc/18/66/99/730186699.db2.gz ACXSQLDIVIABEJ-UHFFFAOYSA-N 1 0 354.859 3.015 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(Cl)c1 ZINC000840908789 730189876 /nfs/dbraw/zinc/18/98/76/730189876.db2.gz ZVYWRESWBWGUDV-MRXNPFEDSA-N 1 0 358.869 3.492 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000840967110 730198698 /nfs/dbraw/zinc/19/86/98/730198698.db2.gz LFHZTBQJQZOHDK-HNNXBMFYSA-N 1 0 364.804 3.088 20 10 FGCDRO COc1cc(Br)c(C[NH2+]CCc2ccc(N)cc2)cc1OC ZINC000841036374 730205117 /nfs/dbraw/zinc/20/51/17/730205117.db2.gz MCWGFUWSYQZADA-UHFFFAOYSA-N 1 0 365.271 3.381 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc(O)c2Br)cc1 ZINC000841042038 730205469 /nfs/dbraw/zinc/20/54/69/730205469.db2.gz JMXLCUUSNQPOGV-OAHLLOKOSA-N 1 0 364.287 3.010 20 10 FGCDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCCSc1nccs1 ZINC000841392976 730238362 /nfs/dbraw/zinc/23/83/62/730238362.db2.gz GHSXLERNWVUGNJ-UHFFFAOYSA-N 1 0 361.536 3.190 20 10 FGCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CSc3ccccc3O2)cc1OC ZINC000843419006 730618529 /nfs/dbraw/zinc/61/85/29/730618529.db2.gz OFARDWOBEUQLRQ-AWEZNQCLSA-N 1 0 361.463 3.442 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCc2c[nH]nc2C)c1O ZINC000848520580 731174837 /nfs/dbraw/zinc/17/48/37/731174837.db2.gz ZPYFWJVQBHZTDS-NSHDSACASA-N 1 0 368.275 3.478 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)c1O ZINC000848552790 731180539 /nfs/dbraw/zinc/18/05/39/731180539.db2.gz NNIXSHUOKOMXJM-NXEZZACHSA-N 1 0 354.248 3.309 20 10 FGCDRO Cc1c(Br)cccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000848562999 731182274 /nfs/dbraw/zinc/18/22/74/731182274.db2.gz OYQXZLLUKZCSIS-UHFFFAOYSA-N 1 0 350.212 3.482 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(C(F)(F)F)cc1O ZINC000848573670 731184596 /nfs/dbraw/zinc/18/45/96/731184596.db2.gz IPPDHTKZOFPCJI-GXTWGEPZSA-N 1 0 358.360 3.435 20 10 FGCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000850135477 731324328 /nfs/dbraw/zinc/32/43/28/731324328.db2.gz LWJQCUVCNDFLLV-MJGOQNOKSA-N 1 0 364.555 3.370 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1 ZINC000850368957 731349064 /nfs/dbraw/zinc/34/90/64/731349064.db2.gz QFWAUGGTCRUOTQ-WMZOPIPTSA-N 1 0 352.544 3.368 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850435011 731357035 /nfs/dbraw/zinc/35/70/35/731357035.db2.gz FWQIFHBICNGKBK-IRXDYDNUSA-N 1 0 350.890 3.311 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852587482 731605678 /nfs/dbraw/zinc/60/56/78/731605678.db2.gz YVRSFDAQZUOOME-HNNXBMFYSA-N 1 0 351.878 3.252 20 10 FGCDRO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000853238437 731686265 /nfs/dbraw/zinc/68/62/65/731686265.db2.gz IXMYIJLMNAWXJY-NGEICVOHSA-N 1 0 350.478 3.254 20 10 FGCDRO O=c1nc(Cl)cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000858405696 732211368 /nfs/dbraw/zinc/21/13/68/732211368.db2.gz NLBLLWORQLXGFN-GFCCVEGCSA-N 1 0 369.252 3.271 20 10 FGCDRO CC[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)ccc1O ZINC000858597097 732229842 /nfs/dbraw/zinc/22/98/42/732229842.db2.gz LDLYGZHOIUBGJK-GFCCVEGCSA-N 1 0 351.235 3.392 20 10 FGCDRO C[C@H]([NH2+]CCN(C)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000858596371 732229944 /nfs/dbraw/zinc/22/99/44/732229944.db2.gz DXIRBYZIIJLWOJ-ZDUSSCGKSA-N 1 0 361.864 3.024 20 10 FGCDRO C[S@@](=O)C[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000862302969 732807031 /nfs/dbraw/zinc/80/70/31/732807031.db2.gz GTXQPGRLAOMQRZ-YCRPNKLZSA-N 1 0 368.296 3.364 20 10 FGCDRO COc1cc(N2CC[NH+](C[C@]3(C)CCCS3)CC2)cc(OC)c1OC ZINC000862326687 732808131 /nfs/dbraw/zinc/80/81/31/732808131.db2.gz SBOMVMCZHFGMLA-IBGZPJMESA-N 1 0 366.527 3.120 20 10 FGCDRO C[NH+](C)CCN(Cc1ccco1)Cc1c(O)cccc1Br ZINC000862367682 732817444 /nfs/dbraw/zinc/81/74/44/732817444.db2.gz RFWSORAVIGARIU-UHFFFAOYSA-N 1 0 353.260 3.312 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1Cl ZINC000862478471 732839294 /nfs/dbraw/zinc/83/92/94/732839294.db2.gz ZCMYTCDHDARARD-UHFFFAOYSA-N 1 0 363.832 3.401 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cnc(Cl)c(F)c3)cc2)CC1 ZINC000865429148 733198646 /nfs/dbraw/zinc/19/86/46/733198646.db2.gz JUBGWKFNXFTRAT-UHFFFAOYSA-N 1 0 363.864 3.373 20 10 FGCDRO COCCc1ncc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000865444754 733202387 /nfs/dbraw/zinc/20/23/87/733202387.db2.gz YWRVXLGLOPTNAK-UHFFFAOYSA-N 1 0 361.511 3.099 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1O ZINC000866447211 733350860 /nfs/dbraw/zinc/35/08/60/733350860.db2.gz WWUXIDUACDKVCA-NUMVPEFSSA-N 1 0 368.271 3.237 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Br)ccc1O ZINC000866531281 733361233 /nfs/dbraw/zinc/36/12/33/733361233.db2.gz FHXZACVQPSMMHS-TZMCWYRMSA-N 1 0 370.287 3.391 20 10 FGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000876966394 736168707 /nfs/dbraw/zinc/16/87/07/736168707.db2.gz UJAKFOOEOIKBOT-FQEVSTJZSA-N 1 0 350.478 3.082 20 10 FGCDRO [O-]c1c(F)cc(Br)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000882935479 737505324 /nfs/dbraw/zinc/50/53/24/737505324.db2.gz RLTBTYFBVOTYRY-UHFFFAOYSA-N 1 0 357.267 3.400 20 10 FGCDRO C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882971386 737508115 /nfs/dbraw/zinc/50/81/15/737508115.db2.gz IAIIKOMFZONKHJ-UHFFFAOYSA-N 1 0 350.409 3.291 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000883256124 737542639 /nfs/dbraw/zinc/54/26/39/737542639.db2.gz OIUMSUHSJLXGFQ-OAHLLOKOSA-N 1 0 370.287 3.220 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000886788776 739299918 /nfs/dbraw/zinc/29/99/18/739299918.db2.gz ISHIMQZSCKXEHQ-JMSVASOKSA-N 1 0 358.276 3.247 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC23CCSCC3)[NH+](C)C)cc1 ZINC000891247849 739885741 /nfs/dbraw/zinc/88/57/41/739885741.db2.gz KTPZVZCUMPCHGD-ZWKOTPCHSA-N 1 0 361.555 3.005 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCCC2(F)F)[NH+](C)C)cc1 ZINC000891243154 739885926 /nfs/dbraw/zinc/88/59/26/739885926.db2.gz JPELBYCAMNFNBE-NVXWUHKLSA-N 1 0 353.457 3.297 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)C2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000891247415 739885980 /nfs/dbraw/zinc/88/59/80/739885980.db2.gz HBNNTQRSIGKZNU-KRWDZBQOSA-N 1 0 353.457 3.297 20 10 FGCDRO O=C(NCCCSc1nccs1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891674667 739926277 /nfs/dbraw/zinc/92/62/77/739926277.db2.gz OOSXCCXXHPXZKC-CQSZACIVSA-N 1 0 368.572 3.237 20 10 FGCDRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000892793427 740044191 /nfs/dbraw/zinc/04/41/91/740044191.db2.gz MMULWQJEMHRDTE-UHFFFAOYSA-N 1 0 351.372 3.391 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)c(O)c1OC ZINC000893087832 742108088 /nfs/dbraw/zinc/10/80/88/742108088.db2.gz FWLWOFXMHCJHMK-HWPZZCPQSA-N 1 0 369.820 3.414 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1O ZINC000896920505 742615792 /nfs/dbraw/zinc/61/57/92/742615792.db2.gz IRDCTVYBWNBFLY-OAHLLOKOSA-N 1 0 370.287 3.281 20 10 FGCDRO OCC1(C(F)(F)F)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000897045151 742635367 /nfs/dbraw/zinc/63/53/67/742635367.db2.gz FRUVPRMTKRERHL-UHFFFAOYSA-N 1 0 368.193 3.292 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000903156383 743814413 /nfs/dbraw/zinc/81/44/13/743814413.db2.gz RYEPUVJTFJRREN-MDCZIUGASA-N 1 0 352.544 3.397 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c(O)c1 ZINC000903425345 743849065 /nfs/dbraw/zinc/84/90/65/743849065.db2.gz BAVIYSZKCMLYGY-CQSZACIVSA-N 1 0 360.479 3.456 20 10 FGCDRO C[C@@H](NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000905528634 744029975 /nfs/dbraw/zinc/02/99/75/744029975.db2.gz GBYHFTVNCVMKCV-OAHLLOKOSA-N 1 0 374.579 3.225 20 10 FGCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000921575096 758748714 /nfs/dbraw/zinc/74/87/14/758748714.db2.gz OOHSIDFRUGSPBN-JENIJYKNSA-N 1 0 361.555 3.152 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)cn1 ZINC000925160659 759456805 /nfs/dbraw/zinc/45/68/05/759456805.db2.gz MLRRFHLOCLUNML-UONOGXRCSA-N 1 0 350.413 3.341 20 10 FGCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1O ZINC000073415642 494368580 /nfs/dbraw/zinc/36/85/80/494368580.db2.gz RCHNTDMUAKGTCB-SFHVURJKSA-N 1 0 369.465 3.037 20 10 FGCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC000092453173 494630240 /nfs/dbraw/zinc/63/02/40/494630240.db2.gz SREQFJNGAQNVOV-UHFFFAOYSA-N 1 0 374.868 3.402 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(CO)c1 ZINC000121412795 494743804 /nfs/dbraw/zinc/74/38/04/494743804.db2.gz SHPJOAFANYEZFZ-QGZVFWFLSA-N 1 0 354.494 3.238 20 10 FGCDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010339 494753466 /nfs/dbraw/zinc/75/34/66/494753466.db2.gz FQJJUQJBEJYRHX-PZJWPPBQSA-N 1 0 368.525 3.356 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839149 495598963 /nfs/dbraw/zinc/59/89/63/495598963.db2.gz QAQGIHLCQYGUJM-HNNXBMFYSA-N 1 0 370.449 3.260 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151341076 495808185 /nfs/dbraw/zinc/80/81/85/495808185.db2.gz CYFAHGWPLMZXDP-DZGCQCFKSA-N 1 0 358.301 3.299 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000180012292 495822645 /nfs/dbraw/zinc/82/26/45/495822645.db2.gz PMOTWYMKECUBCD-UHFFFAOYSA-N 1 0 356.422 3.108 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1OC ZINC000155073176 495825317 /nfs/dbraw/zinc/82/53/17/495825317.db2.gz CAVNHQDYCUJXKI-SFHVURJKSA-N 1 0 351.830 3.060 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(Br)cc1O ZINC000186179648 495887014 /nfs/dbraw/zinc/88/70/14/495887014.db2.gz XQAGXCILQKDJHV-NSHDSACASA-N 1 0 350.260 3.467 20 10 FGCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000183477098 496000347 /nfs/dbraw/zinc/00/03/47/496000347.db2.gz DQISPHYXLHVDQV-HNNXBMFYSA-N 1 0 354.450 3.055 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000152751361 496245346 /nfs/dbraw/zinc/24/53/46/496245346.db2.gz JQBMHQDPUYCSRY-HNNXBMFYSA-N 1 0 363.479 3.051 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCN1C ZINC000157714068 496536384 /nfs/dbraw/zinc/53/63/84/496536384.db2.gz RMQAOLFNRMGNIL-GDBMZVCRSA-N 1 0 353.457 3.329 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)ccc1OC ZINC000184937211 496592262 /nfs/dbraw/zinc/59/22/62/496592262.db2.gz IDXRUIPAMCHRNC-KBMIEXCESA-N 1 0 361.507 3.441 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)ccc1O ZINC000184964580 496601753 /nfs/dbraw/zinc/60/17/53/496601753.db2.gz FMWKWJOKSLRLSB-GFCCVEGCSA-N 1 0 368.886 3.147 20 10 FGCDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000185005981 496619536 /nfs/dbraw/zinc/61/95/36/496619536.db2.gz BYZRECMGKUHDDP-KRWDZBQOSA-N 1 0 358.507 3.239 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176031867 496651570 /nfs/dbraw/zinc/65/15/70/496651570.db2.gz SLBHZZOKZBIIMU-UHFFFAOYSA-N 1 0 358.530 3.301 20 10 FGCDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc(O)c1O ZINC000188320778 496751596 /nfs/dbraw/zinc/75/15/96/496751596.db2.gz SZCUXHYARBLVRM-UHFFFAOYSA-N 1 0 358.463 3.207 20 10 FGCDRO CC(=O)NCC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000273469987 496814993 /nfs/dbraw/zinc/81/49/93/496814993.db2.gz JKRQUDYRYZKNRC-UHFFFAOYSA-N 1 0 368.477 3.319 20 10 FGCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000273555616 496838371 /nfs/dbraw/zinc/83/83/71/496838371.db2.gz GWMHTUHMGJMFHB-XSRFYTQQSA-N 1 0 355.276 3.110 20 10 FGCDRO O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1CC(F)(F)F ZINC000264793314 496985740 /nfs/dbraw/zinc/98/57/40/496985740.db2.gz BBRSNNGCZMTZBP-INIZCTEOSA-N 1 0 364.367 3.312 20 10 FGCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264949747 497017432 /nfs/dbraw/zinc/01/74/32/497017432.db2.gz KFDIGRPEWFWWRJ-LBPRGKRZSA-N 1 0 368.886 3.147 20 10 FGCDRO COc1c([O-])c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000278929750 497270583 /nfs/dbraw/zinc/27/05/83/497270583.db2.gz VXQVDVLTSTZWES-UHFFFAOYSA-N 1 0 371.437 3.195 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1O ZINC000271195152 497286445 /nfs/dbraw/zinc/28/64/45/497286445.db2.gz UIXRXPIUXOCYKH-UHFFFAOYSA-N 1 0 370.449 3.347 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000271823838 497460918 /nfs/dbraw/zinc/46/09/18/497460918.db2.gz OENGPXUCZSUBSX-NSHDSACASA-N 1 0 356.397 3.104 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCc2nc(-c3ccncc3)cs2)cc1OC ZINC000271876871 497477023 /nfs/dbraw/zinc/47/70/23/497477023.db2.gz ZLPBWPMPFYHSAL-UHFFFAOYSA-N 1 0 371.462 3.260 20 10 FGCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272301852 497591517 /nfs/dbraw/zinc/59/15/17/497591517.db2.gz IWPXJAUSEUEFGH-QFBILLFUSA-N 1 0 353.466 3.102 20 10 FGCDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272633045 497685078 /nfs/dbraw/zinc/68/50/78/497685078.db2.gz KQLCTRAXMRCPND-MXFAVLBMSA-N 1 0 366.461 3.138 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000295941911 497863433 /nfs/dbraw/zinc/86/34/33/497863433.db2.gz HZCVOVYFHPIRIM-GOSISDBHSA-N 1 0 374.525 3.072 20 10 FGCDRO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000301165853 497980296 /nfs/dbraw/zinc/98/02/96/497980296.db2.gz DPHUPLLOAKGWBF-CQSZACIVSA-N 1 0 362.817 3.425 20 10 FGCDRO CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cc(Br)ccc1O ZINC000296571430 498100087 /nfs/dbraw/zinc/10/00/87/498100087.db2.gz SYEAJVFLXKVCNN-LBPRGKRZSA-N 1 0 351.248 3.391 20 10 FGCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296633322 498130713 /nfs/dbraw/zinc/13/07/13/498130713.db2.gz VVGRXDJUWXPADJ-UHFFFAOYSA-N 1 0 374.525 3.467 20 10 FGCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1O ZINC000289489989 498167136 /nfs/dbraw/zinc/16/71/36/498167136.db2.gz RMKSRRVGKOSHKX-AWEZNQCLSA-N 1 0 365.857 3.009 20 10 FGCDRO COc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000289519436 498176557 /nfs/dbraw/zinc/17/65/57/498176557.db2.gz VFTMNNCRZFIETM-IBGZPJMESA-N 1 0 350.459 3.138 20 10 FGCDRO CC(C)n1nc2c(cc1=O)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000360075431 498244266 /nfs/dbraw/zinc/24/42/66/498244266.db2.gz MIERKHVDYSQKEI-UHFFFAOYSA-N 1 0 366.509 3.373 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1OC ZINC000365038013 498266937 /nfs/dbraw/zinc/26/69/37/498266937.db2.gz IZINRNRAZFQCHO-UHFFFAOYSA-N 1 0 351.834 3.096 20 10 FGCDRO COc1cccc(CC(=O)N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)c1 ZINC000360699543 498300188 /nfs/dbraw/zinc/30/01/88/498300188.db2.gz PIMOKMSMHCPJPZ-MRXNPFEDSA-N 1 0 368.477 3.285 20 10 FGCDRO CC[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000297167733 498341285 /nfs/dbraw/zinc/34/12/85/498341285.db2.gz DFICGTQOBJEGAC-KVWWFHCMSA-N 1 0 352.544 3.397 20 10 FGCDRO C[C@H]1C[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000361121840 498347973 /nfs/dbraw/zinc/34/79/73/498347973.db2.gz IKEPKILJCADSHE-MXFAVLBMSA-N 1 0 366.461 3.138 20 10 FGCDRO CCC[NH+]1CCN(C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000365269340 498382065 /nfs/dbraw/zinc/38/20/65/498382065.db2.gz SDQBSBMVUQXAGZ-UHFFFAOYSA-N 1 0 369.912 3.177 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1O ZINC000362624801 498527389 /nfs/dbraw/zinc/52/73/89/498527389.db2.gz YRBAFHLJUGVWMQ-UHFFFAOYSA-N 1 0 366.259 3.266 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1OC ZINC000365669181 498588709 /nfs/dbraw/zinc/58/87/09/498588709.db2.gz SDMGUBTWOJYXJP-UXHICEINSA-N 1 0 363.498 3.032 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)ccc21 ZINC000303203361 498654008 /nfs/dbraw/zinc/65/40/08/498654008.db2.gz OWVAUBYVMVOWIP-INIZCTEOSA-N 1 0 371.525 3.366 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000303203364 498654638 /nfs/dbraw/zinc/65/46/38/498654638.db2.gz OWVAUBYVMVOWIP-MRXNPFEDSA-N 1 0 371.525 3.366 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000287229341 498681195 /nfs/dbraw/zinc/68/11/95/498681195.db2.gz YCROLFGBOYXCNB-SJORKVTESA-N 1 0 350.528 3.152 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000363176236 498688427 /nfs/dbraw/zinc/68/84/27/498688427.db2.gz GZDJDGMXUMPKLH-UTKZUKDTSA-N 1 0 372.513 3.087 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1OC ZINC000291095790 498793187 /nfs/dbraw/zinc/79/31/87/498793187.db2.gz YXDDTKYPDYZYIF-AWEZNQCLSA-N 1 0 360.429 3.165 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000294938720 498855052 /nfs/dbraw/zinc/85/50/52/498855052.db2.gz BPUYJTRZBJFACX-HXUWFJFHSA-N 1 0 360.523 3.262 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1OC ZINC000295137136 498922685 /nfs/dbraw/zinc/92/26/85/498922685.db2.gz YXLDCPXYBBMZDT-HNNXBMFYSA-N 1 0 351.830 3.228 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000363768213 498984212 /nfs/dbraw/zinc/98/42/12/498984212.db2.gz MTSMPAAXHVVRPK-CQSZACIVSA-N 1 0 352.438 3.384 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCCCC2)cc1 ZINC000363785653 498991855 /nfs/dbraw/zinc/99/18/55/498991855.db2.gz PCGIRBWOPGBCKC-IEBWSBKVSA-N 1 0 353.514 3.340 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000363859472 499028528 /nfs/dbraw/zinc/02/85/28/499028528.db2.gz SJWWOYVPOXVNOF-HOCLYGCPSA-N 1 0 356.470 3.276 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1cc2c(cc1O)CCCC2 ZINC000363868296 499031838 /nfs/dbraw/zinc/03/18/38/499031838.db2.gz RJBQTKINVQMKIT-KXBFYZLASA-N 1 0 365.477 3.231 20 10 FGCDRO CC(C)(C)c1ncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000284220266 499071150 /nfs/dbraw/zinc/07/11/50/499071150.db2.gz CSZVDMBDHMEMFW-UHFFFAOYSA-N 1 0 368.525 3.273 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598006 499151402 /nfs/dbraw/zinc/15/14/02/499151402.db2.gz FCUVBDYVKKRPEZ-JSGCOSHPSA-N 1 0 358.442 3.023 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cc1F ZINC000367221477 499163657 /nfs/dbraw/zinc/16/36/57/499163657.db2.gz LIWAZPJROKOCOD-UHFFFAOYSA-N 1 0 356.445 3.137 20 10 FGCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000372925828 499195284 /nfs/dbraw/zinc/19/52/84/499195284.db2.gz KTCBMYSAVHAZAN-LJQANCHMSA-N 1 0 374.506 3.286 20 10 FGCDRO COCCC[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370343220 499211536 /nfs/dbraw/zinc/21/15/36/499211536.db2.gz NKWACRZPPGLBEJ-YOEHRIQHSA-N 1 0 368.905 3.189 20 10 FGCDRO OCC1CCN(c2ccc(C[NH2+]C3CC(c4ccccn4)C3)cc2)CC1 ZINC000370731295 499248886 /nfs/dbraw/zinc/24/88/86/499248886.db2.gz VLULYJPECXRNRE-UHFFFAOYSA-N 1 0 351.494 3.326 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000368009855 499254600 /nfs/dbraw/zinc/25/46/00/499254600.db2.gz XTCUDGDNMFZHBA-SFHVURJKSA-N 1 0 365.456 3.255 20 10 FGCDRO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c2n1CCCC2 ZINC000371401596 499321175 /nfs/dbraw/zinc/32/11/75/499321175.db2.gz QBVDTQOXNUZCDL-MRXNPFEDSA-N 1 0 354.498 3.215 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)cc1 ZINC000371415292 499323692 /nfs/dbraw/zinc/32/36/92/499323692.db2.gz BQSOWIUZQBBRLG-UHFFFAOYSA-N 1 0 370.497 3.224 20 10 FGCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)cc1NC(C)=O ZINC000368726624 499325572 /nfs/dbraw/zinc/32/55/72/499325572.db2.gz GVUAXIFXNBIQCE-CQSZACIVSA-N 1 0 353.466 3.497 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c(O)c1 ZINC000369424798 499402071 /nfs/dbraw/zinc/40/20/71/499402071.db2.gz IPCISXGHTLGNSA-INIZCTEOSA-N 1 0 371.481 3.497 20 10 FGCDRO COc1ccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000373668535 499482627 /nfs/dbraw/zinc/48/26/27/499482627.db2.gz VPTPAANOHNMQLD-UHFFFAOYSA-N 1 0 368.477 3.319 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1F ZINC000375408677 499515260 /nfs/dbraw/zinc/51/52/60/499515260.db2.gz JZHGTFITBWKZEU-DSKINZAPSA-N 1 0 364.505 3.424 20 10 FGCDRO Oc1ccccc1C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000378494207 499524239 /nfs/dbraw/zinc/52/42/39/499524239.db2.gz KJVWBSSRRUPZKX-QGZVFWFLSA-N 1 0 352.482 3.480 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000418103332 500230195 /nfs/dbraw/zinc/23/01/95/500230195.db2.gz WBDHNGXLHAZCDD-UHFFFAOYSA-N 1 0 354.498 3.160 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C[NH+](C)C)CC3)ccc21 ZINC000490541204 503192463 /nfs/dbraw/zinc/19/24/63/503192463.db2.gz HUUSBFYXIVYBLC-UHFFFAOYSA-N 1 0 371.525 3.318 20 10 FGCDRO COc1cccc([C@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC2(C)C)c1 ZINC000530101548 503837396 /nfs/dbraw/zinc/83/73/96/503837396.db2.gz IQGHGJXXWOAIPH-UYAOXDASSA-N 1 0 369.461 3.452 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)c1 ZINC000527586494 503843339 /nfs/dbraw/zinc/84/33/39/503843339.db2.gz GPDAFSYSDZLOJH-UHFFFAOYSA-N 1 0 372.465 3.395 20 10 FGCDRO COc1ccc(CC[NH2+]Cc2cc(Br)cc(C)c2O)cn1 ZINC000529662389 504754350 /nfs/dbraw/zinc/75/43/50/504754350.db2.gz QEMFMOJKCNCGNB-UHFFFAOYSA-N 1 0 351.244 3.199 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3(C)CC[NH2+]CC3)ccc21 ZINC000567745168 505554784 /nfs/dbraw/zinc/55/47/84/505554784.db2.gz GDIMQPNWGJUZIB-UHFFFAOYSA-N 1 0 357.498 3.024 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824618872 609332234 /nfs/dbraw/zinc/33/22/34/609332234.db2.gz RIDYWJQGRMLUMI-NSHDSACASA-N 1 0 358.396 3.062 20 10 FGCDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000092665217 700439399 /nfs/dbraw/zinc/43/93/99/700439399.db2.gz OLFPFJREXSLKLW-HOTGVXAUSA-N 1 0 351.922 3.036 20 10 FGCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000127155631 700758211 /nfs/dbraw/zinc/75/82/11/700758211.db2.gz XDRXFFPOINGECD-HUUCEWRRSA-N 1 0 356.507 3.290 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000131408146 700814895 /nfs/dbraw/zinc/81/48/95/700814895.db2.gz XMIPLZBVOLMHDD-HUUCEWRRSA-N 1 0 350.459 3.326 20 10 FGCDRO C[C@@](CO)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000152777687 704973661 /nfs/dbraw/zinc/97/36/61/704973661.db2.gz IQRLVEVLCVXONN-FQEVSTJZSA-N 1 0 350.478 3.083 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](CCO)Cc2ccccc2)c1O ZINC000158294936 705180676 /nfs/dbraw/zinc/18/06/76/705180676.db2.gz QVYNTINAORPVMQ-UHFFFAOYSA-N 1 0 366.255 3.158 20 10 FGCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2O)c(C)s1 ZINC000186141560 712710482 /nfs/dbraw/zinc/71/04/82/712710482.db2.gz WKEWXUQOWIJCFJ-CYBMUJFWSA-N 1 0 368.524 3.008 20 10 FGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356527 712858144 /nfs/dbraw/zinc/85/81/44/712858144.db2.gz QBYQVKLKKHIHDA-LJQANCHMSA-N 1 0 360.885 3.426 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCOc1ccc(C(F)(F)F)cc1)OCO2 ZINC000238127406 713600873 /nfs/dbraw/zinc/60/08/73/713600873.db2.gz KHRPQMBEJLKYGM-UHFFFAOYSA-N 1 0 355.312 3.308 20 10 FGCDRO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1n1ccnc1 ZINC000246893610 713632289 /nfs/dbraw/zinc/63/22/89/713632289.db2.gz UDGPHXLTGYGNNT-SWLSCSKDSA-N 1 0 350.260 3.434 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000386086224 713984606 /nfs/dbraw/zinc/98/46/06/713984606.db2.gz OHSYQIGKFMKQOR-UHFFFAOYSA-N 1 0 350.459 3.326 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(Br)cc1O ZINC000756638853 722968079 /nfs/dbraw/zinc/96/80/79/722968079.db2.gz SQUBRGRMKVTJNZ-NHYWBVRUSA-N 1 0 359.333 3.243 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756765051 722969809 /nfs/dbraw/zinc/96/98/09/722969809.db2.gz NDAGJCPZXXFPRK-RZAIGCCYSA-N 1 0 354.441 3.089 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000797139876 723785993 /nfs/dbraw/zinc/78/59/93/723785993.db2.gz JWXYSMZZZXXDOW-GMTAPVOTSA-N 1 0 366.462 3.259 20 10 FGCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000774378582 723886594 /nfs/dbraw/zinc/88/65/94/723886594.db2.gz CQWODJGEJRPGBF-JTQLQIEISA-N 1 0 365.699 3.037 20 10 FGCDRO O=C(/C=C/c1ccc[nH]1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676455 724778085 /nfs/dbraw/zinc/77/80/85/724778085.db2.gz JTAOPYSVKVJWTH-DBWMJRBXSA-N 1 0 359.857 3.168 20 10 FGCDRO COc1cccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1O ZINC000725850197 722424794 /nfs/dbraw/zinc/42/47/94/722424794.db2.gz QGNGODMTYJEXDN-AWEZNQCLSA-N 1 0 357.328 3.123 20 10 FGCDRO COc1cccc(O)c1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000731450157 722475420 /nfs/dbraw/zinc/47/54/20/722475420.db2.gz ITLPMDKLVCZQNX-HNNXBMFYSA-N 1 0 357.328 3.123 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc(Cl)nc3)CC1)CCC2 ZINC000734829974 722510332 /nfs/dbraw/zinc/51/03/32/722510332.db2.gz WZZFWWTYWUTKTH-UHFFFAOYSA-N 1 0 357.885 3.247 20 10 FGCDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000735487730 722516780 /nfs/dbraw/zinc/51/67/80/722516780.db2.gz XIGIXPXHGGXQLO-OAHLLOKOSA-N 1 0 362.817 3.425 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CCCc2nccs2)c1O ZINC000736642405 722523985 /nfs/dbraw/zinc/52/39/85/722523985.db2.gz YMGIPVPQPZYOHY-UHFFFAOYSA-N 1 0 357.273 3.342 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000746778124 722617787 /nfs/dbraw/zinc/61/77/87/722617787.db2.gz SZHPERLZWZARHR-KRWDZBQOSA-N 1 0 361.873 3.490 20 10 FGCDRO C[S@](=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000751152087 722796398 /nfs/dbraw/zinc/79/63/98/722796398.db2.gz KUCDYHOZBDMTNN-FQEVSTJZSA-N 1 0 354.269 3.182 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCCC1 ZINC000753664267 722908637 /nfs/dbraw/zinc/90/86/37/722908637.db2.gz OXBBDBUGWWQTRO-KRWDZBQOSA-N 1 0 364.555 3.370 20 10 FGCDRO C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(Br)cc1O ZINC000756758156 722969643 /nfs/dbraw/zinc/96/96/43/722969643.db2.gz FUVNSKIUOFBRFC-JTQLQIEISA-N 1 0 355.207 3.418 20 10 FGCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1Cl ZINC000758516393 722990895 /nfs/dbraw/zinc/99/08/95/722990895.db2.gz UJKPCEPHSDDNOM-UHFFFAOYSA-N 1 0 360.262 3.392 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000790734400 723171420 /nfs/dbraw/zinc/17/14/20/723171420.db2.gz CQOAXGYLGXHMHQ-JSGCOSHPSA-N 1 0 351.393 3.181 20 10 FGCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793083331 723398368 /nfs/dbraw/zinc/39/83/68/723398368.db2.gz AKXMRBZLQZOXBI-CYBMUJFWSA-N 1 0 359.392 3.092 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cccc(I)c2)c(O)c1 ZINC000793591820 723451991 /nfs/dbraw/zinc/45/19/91/723451991.db2.gz QZFQDAMWUOOBDN-UHFFFAOYSA-N 1 0 369.202 3.295 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1O ZINC000766225431 723562815 /nfs/dbraw/zinc/56/28/15/723562815.db2.gz PXJVPSRZOHKOFG-HNNXBMFYSA-N 1 0 369.303 3.270 20 10 FGCDRO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274086 723565712 /nfs/dbraw/zinc/56/57/12/723565712.db2.gz SUMGHDTXSSNMHK-HOTGVXAUSA-N 1 0 351.922 3.312 20 10 FGCDRO CSC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796308462 723632056 /nfs/dbraw/zinc/63/20/56/723632056.db2.gz CHSNPFQBOBWDSQ-OAQYLSRUSA-N 1 0 356.535 3.453 20 10 FGCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796373956 723634991 /nfs/dbraw/zinc/63/49/91/723634991.db2.gz FNIITKJRAYOVGR-RUZDIDTESA-N 1 0 354.519 3.250 20 10 FGCDRO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000796522075 723641420 /nfs/dbraw/zinc/64/14/20/723641420.db2.gz KWCPZIFIUGGAOG-AWEZNQCLSA-N 1 0 357.292 3.127 20 10 FGCDRO C[C@@H]1SCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768445209 723657902 /nfs/dbraw/zinc/65/79/02/723657902.db2.gz GKWFBARQYRDRLQ-YHJVDBJQSA-N 1 0 357.475 3.497 20 10 FGCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000769339253 723682870 /nfs/dbraw/zinc/68/28/70/723682870.db2.gz VGYKMCBCIGQYEN-OAHLLOKOSA-N 1 0 367.287 3.132 20 10 FGCDRO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773406407 723784169 /nfs/dbraw/zinc/78/41/69/723784169.db2.gz CQAZDJAGJKWBQU-IXDOHACOSA-N 1 0 350.890 3.418 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)CC)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000773809372 723825996 /nfs/dbraw/zinc/82/59/96/723825996.db2.gz CDMCRKJTESPRDI-IBGZPJMESA-N 1 0 361.511 3.031 20 10 FGCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775368711 723985982 /nfs/dbraw/zinc/98/59/82/723985982.db2.gz HIGMRCOCFXLWHG-QUCCMNQESA-N 1 0 350.478 3.346 20 10 FGCDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000799341227 724015026 /nfs/dbraw/zinc/01/50/26/724015026.db2.gz XVAPIJAUGHTUGY-HNNXBMFYSA-N 1 0 357.523 3.442 20 10 FGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000775725517 724031305 /nfs/dbraw/zinc/03/13/05/724031305.db2.gz PLUZSNXWGSCZBK-UHFFFAOYSA-N 1 0 356.869 3.262 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H](O)C(F)(F)F ZINC000776252934 724124174 /nfs/dbraw/zinc/12/41/74/724124174.db2.gz GOLNVAAGZSKXHG-PWSUYJOCSA-N 1 0 356.182 3.255 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1O ZINC000776257375 724124359 /nfs/dbraw/zinc/12/43/59/724124359.db2.gz MHICMPGBANTPBJ-GFCCVEGCSA-N 1 0 372.303 3.442 20 10 FGCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000776810599 724184951 /nfs/dbraw/zinc/18/49/51/724184951.db2.gz ZNIAYLYCYTXPPF-HOCLYGCPSA-N 1 0 351.466 3.238 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2Cl)C1 ZINC000800493768 724202862 /nfs/dbraw/zinc/20/28/62/724202862.db2.gz QECBKUIOYNDDAT-ZBFHGGJFSA-N 1 0 370.946 3.243 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787424101 725027944 /nfs/dbraw/zinc/02/79/44/725027944.db2.gz HQFFKDIAZXIFNK-HNNXBMFYSA-N 1 0 367.287 3.130 20 10 FGCDRO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000788618848 725076540 /nfs/dbraw/zinc/07/65/40/725076540.db2.gz KRGREAKFVQCICG-LZWOXQAQSA-N 1 0 358.276 3.389 20 10 FGCDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000808422130 725200384 /nfs/dbraw/zinc/20/03/84/725200384.db2.gz FWDIZKZQVZQWOA-LLVKDONJSA-N 1 0 364.795 3.469 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)CC)c1O ZINC000809723012 725262560 /nfs/dbraw/zinc/26/25/60/725262560.db2.gz OWOJYACQSHWVFH-MRXNPFEDSA-N 1 0 350.459 3.234 20 10 FGCDRO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)C(F)(F)F ZINC000809750710 725264859 /nfs/dbraw/zinc/26/48/59/725264859.db2.gz FJPLSHKOGRJQPT-KRWDZBQOSA-N 1 0 355.356 3.326 20 10 FGCDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000810243177 725299243 /nfs/dbraw/zinc/29/92/43/725299243.db2.gz MGTNFHSQYDJEAS-LBPRGKRZSA-N 1 0 366.918 3.230 20 10 FGCDRO O=S1(=O)CC(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815619443 727086829 /nfs/dbraw/zinc/08/68/29/727086829.db2.gz NKKBTPXPDKDSDL-LJQANCHMSA-N 1 0 359.491 3.090 20 10 FGCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[C@H]1CCS(=O)(=O)C1 ZINC000817297754 727238100 /nfs/dbraw/zinc/23/81/00/727238100.db2.gz AFTLRVBLTHUKNG-RDJZCZTQSA-N 1 0 351.512 3.155 20 10 FGCDRO CC(C)n1cc(C(C)(C)[NH2+]Cc2cc(Br)ccc2O)nn1 ZINC000817419097 727249684 /nfs/dbraw/zinc/24/96/84/727249684.db2.gz AYKSNDYTUNJXRP-UHFFFAOYSA-N 1 0 353.264 3.352 20 10 FGCDRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817549000 727264002 /nfs/dbraw/zinc/26/40/02/727264002.db2.gz GPMCEQSCNSFNQU-CJNGLKHVSA-N 1 0 358.816 3.172 20 10 FGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ncc(Br)s1 ZINC000817944107 727288888 /nfs/dbraw/zinc/28/88/88/727288888.db2.gz XIWZZUNOJAJFAZ-MFKMUULPSA-N 1 0 369.332 3.322 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000818218805 727302134 /nfs/dbraw/zinc/30/21/34/727302134.db2.gz QRKQYPBCANUSMD-HOTGVXAUSA-N 1 0 350.459 3.182 20 10 FGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3cccc(Cl)c3)C2)cc1 ZINC000819379408 727372056 /nfs/dbraw/zinc/37/20/56/727372056.db2.gz HMWPHZGFASJUFU-MGPUTAFESA-N 1 0 360.885 3.498 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000819376881 727372079 /nfs/dbraw/zinc/37/20/79/727372079.db2.gz JHNQPQLMTGFCMW-QGZVFWFLSA-N 1 0 360.523 3.056 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CCN2CCCC2=O)cc1 ZINC000823447454 729281231 /nfs/dbraw/zinc/28/12/31/729281231.db2.gz IPUWIXOHUYJMCW-UHFFFAOYSA-N 1 0 357.523 3.439 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cc(F)ncc2F)C1 ZINC000823855303 729309515 /nfs/dbraw/zinc/30/95/15/729309515.db2.gz MVHOKXBUWVBZOF-OAHLLOKOSA-N 1 0 367.827 3.473 20 10 FGCDRO COCCN1CC[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823888290 729311617 /nfs/dbraw/zinc/31/16/17/729311617.db2.gz YRJFCIWPUYTWLH-SFHVURJKSA-N 1 0 359.539 3.195 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1Cl ZINC000824593893 729349688 /nfs/dbraw/zinc/34/96/88/729349688.db2.gz UMNXTGRGQKFIFE-UHFFFAOYSA-N 1 0 364.795 3.245 20 10 FGCDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825129942 729372061 /nfs/dbraw/zinc/37/20/61/729372061.db2.gz IOBNMMSSNPPMDL-JXFKEZNVSA-N 1 0 360.523 3.356 20 10 FGCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825125011 729372069 /nfs/dbraw/zinc/37/20/69/729372069.db2.gz CKQUWTJGLFEFCY-UHFFFAOYSA-N 1 0 362.857 3.159 20 10 FGCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000825190101 729374063 /nfs/dbraw/zinc/37/40/63/729374063.db2.gz FCCPMYTVSOXKQZ-QAPCUYQASA-N 1 0 352.425 3.414 20 10 FGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(Br)cc2O)c(C)o1 ZINC000825303648 729377825 /nfs/dbraw/zinc/37/78/25/729377825.db2.gz KXQZJNHKBIWMPS-MRXNPFEDSA-N 1 0 354.244 3.362 20 10 FGCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(Br)cc1O ZINC000825489042 729384975 /nfs/dbraw/zinc/38/49/75/729384975.db2.gz CIRJQFNBOKWDHR-CQSZACIVSA-N 1 0 354.244 3.485 20 10 FGCDRO CN(Cc1c(C(F)(F)F)cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000825509633 729386036 /nfs/dbraw/zinc/38/60/36/729386036.db2.gz PDMVUCCVGQTGHJ-UHFFFAOYSA-N 1 0 356.392 3.016 20 10 FGCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825651112 729390392 /nfs/dbraw/zinc/39/03/92/729390392.db2.gz DBDIIKJKVNDOJG-UHFFFAOYSA-N 1 0 354.859 3.320 20 10 FGCDRO OC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC[C@H]1C(F)(F)F ZINC000825887629 729398437 /nfs/dbraw/zinc/39/84/37/729398437.db2.gz VSAFRKXYYQJENN-ZYHUDNBSSA-N 1 0 368.193 3.147 20 10 FGCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825892751 729398668 /nfs/dbraw/zinc/39/86/68/729398668.db2.gz IRSWHBOVRZNVBO-AWEZNQCLSA-N 1 0 355.276 3.035 20 10 FGCDRO Cc1cc(C(=O)CN2CCOC[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828487784 729443931 /nfs/dbraw/zinc/44/39/31/729443931.db2.gz KKUJTUQVNXTFGI-ZDUSSCGKSA-N 1 0 361.873 3.294 20 10 FGCDRO [NH3+]CCCn1ccc2cc(C(=O)NCCCSc3nccs3)ccc21 ZINC000829528832 729488292 /nfs/dbraw/zinc/48/82/92/729488292.db2.gz ZODALBVPZXETHL-UHFFFAOYSA-N 1 0 374.535 3.359 20 10 FGCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000832267227 729700961 /nfs/dbraw/zinc/70/09/61/729700961.db2.gz OMVRPLUDURXTQP-SMDDNHRTSA-N 1 0 351.903 3.387 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000832274044 729701595 /nfs/dbraw/zinc/70/15/95/729701595.db2.gz RIPKTUIEDMRHBD-IJEWVQPXSA-N 1 0 357.420 3.237 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000832292198 729703194 /nfs/dbraw/zinc/70/31/94/729703194.db2.gz CRKZDBBEZZJYNM-QGZVFWFLSA-N 1 0 366.292 3.418 20 10 FGCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000840888848 730188463 /nfs/dbraw/zinc/18/84/63/730188463.db2.gz DGRWTMYLWAFCFP-BDAKNGLRSA-N 1 0 363.683 3.372 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840897296 730189261 /nfs/dbraw/zinc/18/92/61/730189261.db2.gz QPQNKOPQYPEADA-UHFFFAOYSA-N 1 0 368.886 3.040 20 10 FGCDRO C[NH2+]Cc1ccc(NCc2cc(Br)cc(OC)c2O)cc1 ZINC000841072205 730207772 /nfs/dbraw/zinc/20/77/72/730207772.db2.gz YRYNWIVOOMQQAW-UHFFFAOYSA-N 1 0 351.244 3.495 20 10 FGCDRO [NH3+]CC[C@@H](NCc1ccc(OCc2ccccc2)cc1O)C(F)(F)F ZINC000841090883 730209990 /nfs/dbraw/zinc/20/99/90/730209990.db2.gz PJPVGYOSZMJMIY-QGZVFWFLSA-N 1 0 354.372 3.341 20 10 FGCDRO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000841103284 730211745 /nfs/dbraw/zinc/21/17/45/730211745.db2.gz FWMIUHMEJABLOU-HOCLYGCPSA-N 1 0 359.297 3.417 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(Cl)cc1O ZINC000841751945 730270723 /nfs/dbraw/zinc/27/07/23/730270723.db2.gz OZNWIBCINUYIPR-BXKDBHETSA-N 1 0 350.768 3.250 20 10 FGCDRO C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1O ZINC000841756162 730271054 /nfs/dbraw/zinc/27/10/54/730271054.db2.gz UMBDVFPJLSISAY-MGPUTAFESA-N 1 0 360.885 3.333 20 10 FGCDRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841896596 730283919 /nfs/dbraw/zinc/28/39/19/730283919.db2.gz MCLWQZZJMODQLO-ZIAGYGMSSA-N 1 0 352.910 3.065 20 10 FGCDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841897357 730284175 /nfs/dbraw/zinc/28/41/75/730284175.db2.gz XUDXKXNLOBGTAG-RDBSUJKOSA-N 1 0 352.910 3.111 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000843299690 730605810 /nfs/dbraw/zinc/60/58/10/730605810.db2.gz VVIFMPRNLQSKIT-QGZVFWFLSA-N 1 0 363.914 3.314 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(C(F)F)CC1 ZINC000843832945 730658912 /nfs/dbraw/zinc/65/89/12/730658912.db2.gz YXIRZPKWSPOJEI-CYBMUJFWSA-N 1 0 358.816 3.172 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000844900972 730787137 /nfs/dbraw/zinc/78/71/37/730787137.db2.gz CIYMYGIXJANZTK-MRXNPFEDSA-N 1 0 365.836 3.287 20 10 FGCDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000844902220 730787186 /nfs/dbraw/zinc/78/71/86/730787186.db2.gz LYXUGKXPORDMOG-DJSGYFEHSA-N 1 0 359.297 3.417 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC[C@H]2C)c1O ZINC000848530576 731176460 /nfs/dbraw/zinc/17/64/60/731176460.db2.gz BOKJMENFVABZJF-NEPJUHHUSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)c1O ZINC000848534143 731176645 /nfs/dbraw/zinc/17/66/45/731176645.db2.gz YAPUYQKTHRQPMY-AAEUAGOBSA-N 1 0 374.275 3.010 20 10 FGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350838 731251471 /nfs/dbraw/zinc/25/14/71/731251471.db2.gz YNHOGRQKONFKHB-AWEZNQCLSA-N 1 0 353.304 3.366 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ncc(Br)s3)C2)cc1 ZINC000850347148 731345439 /nfs/dbraw/zinc/34/54/39/731345439.db2.gz OQJHAZJWXKGUBH-NSHDSACASA-N 1 0 368.300 3.283 20 10 FGCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357649 731348199 /nfs/dbraw/zinc/34/81/99/731348199.db2.gz QMPUSOMFTPLECA-HNNXBMFYSA-N 1 0 364.848 3.041 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000850502821 731366009 /nfs/dbraw/zinc/36/60/09/731366009.db2.gz RHKVRDFYLPOTLD-FIRUKDTASA-N 1 0 372.303 3.371 20 10 FGCDRO COC1CCN(C(C)(C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858132042 732183534 /nfs/dbraw/zinc/18/35/34/732183534.db2.gz QMNKYVGCHVCYSD-UHFFFAOYSA-N 1 0 355.473 3.010 20 10 FGCDRO CC(C)OC(=O)N1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858135796 732184278 /nfs/dbraw/zinc/18/42/78/732184278.db2.gz CUISWZKXCASXHZ-UHFFFAOYSA-N 1 0 355.429 3.130 20 10 FGCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858244699 732196348 /nfs/dbraw/zinc/19/63/48/732196348.db2.gz FCCHAHYOORVEQN-MRXNPFEDSA-N 1 0 362.857 3.049 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCCCO1 ZINC000858354167 732206444 /nfs/dbraw/zinc/20/64/44/732206444.db2.gz LNOGWCNXDDYSEW-NLDJYOPPSA-N 1 0 350.478 3.487 20 10 FGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000858473869 732218257 /nfs/dbraw/zinc/21/82/57/732218257.db2.gz RFAPKTXMEMIDGY-GXFFZTMASA-N 1 0 354.244 3.376 20 10 FGCDRO COCCCOC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862247831 732797818 /nfs/dbraw/zinc/79/78/18/732797818.db2.gz NFUZRUFEHBWKEY-UHFFFAOYSA-N 1 0 358.276 3.172 20 10 FGCDRO Oc1cccc(Br)c1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000862250739 732798721 /nfs/dbraw/zinc/79/87/21/732798721.db2.gz SSKQAAWISUCQIC-ZDUSSCGKSA-N 1 0 368.193 3.290 20 10 FGCDRO Oc1cccc(Br)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000862329592 732809306 /nfs/dbraw/zinc/80/93/06/732809306.db2.gz ZWSVYSGKFVJXQG-UHFFFAOYSA-N 1 0 358.301 3.253 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1F ZINC000862351301 732813469 /nfs/dbraw/zinc/81/34/69/732813469.db2.gz JYOSXRWGZNOOEJ-VOTSOKGWSA-N 1 0 355.429 3.201 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000866535502 733362304 /nfs/dbraw/zinc/36/23/04/733362304.db2.gz DZQKHDLOIIKFLV-KGLIPLIRSA-N 1 0 363.479 3.259 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000872112891 735590419 /nfs/dbraw/zinc/59/04/19/735590419.db2.gz LPPREFAYJVCDIY-QWRGUYRKSA-N 1 0 372.259 3.157 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000873228086 735740268 /nfs/dbraw/zinc/74/02/68/735740268.db2.gz PFASZCUFTGJNOR-MNOVXSKESA-N 1 0 367.209 3.032 20 10 FGCDRO OC1CCN(c2ccc(C[NH+]3CCN(c4cccs4)CC3)cc2)CC1 ZINC000876770281 736141708 /nfs/dbraw/zinc/14/17/08/736141708.db2.gz BPAYIRAUAIJACB-UHFFFAOYSA-N 1 0 357.523 3.031 20 10 FGCDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000876946487 736166360 /nfs/dbraw/zinc/16/63/60/736166360.db2.gz SCZAHRFRINTOJW-ODCWNRFASA-N 1 0 372.421 3.475 20 10 FGCDRO Fc1cc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc(F)c1N1CCOCC1 ZINC000877582162 736688409 /nfs/dbraw/zinc/68/84/09/736688409.db2.gz LELOSFUDVSBLGI-NSHDSACASA-N 1 0 351.224 3.085 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)COc2ccc(F)cc2F)c(O)c1OC ZINC000892673434 740029645 /nfs/dbraw/zinc/02/96/45/740029645.db2.gz KEXJGHVIXZJUTR-NSHDSACASA-N 1 0 353.365 3.245 20 10 FGCDRO COC1CCC(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000894843314 742341667 /nfs/dbraw/zinc/34/16/67/742341667.db2.gz LDSIAZJAWFNANN-UHFFFAOYSA-N 1 0 354.441 3.096 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000895837301 742460288 /nfs/dbraw/zinc/46/02/88/742460288.db2.gz KWLZGNBKOUMFNL-QGZVFWFLSA-N 1 0 361.404 3.445 20 10 FGCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000895847319 742462798 /nfs/dbraw/zinc/46/27/98/742462798.db2.gz UICMTJWWXXQGRU-UHFFFAOYSA-N 1 0 360.479 3.403 20 10 FGCDRO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000896968609 742624116 /nfs/dbraw/zinc/62/41/16/742624116.db2.gz IWZHKRCNDNROAX-JTQLQIEISA-N 1 0 352.843 3.278 20 10 FGCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000897576240 742691415 /nfs/dbraw/zinc/69/14/15/742691415.db2.gz CINIWQGELVQWAH-GFCCVEGCSA-N 1 0 366.259 3.301 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1C ZINC000898725685 742826798 /nfs/dbraw/zinc/82/67/98/742826798.db2.gz VCDIXNGVRHOGLC-ZDUSSCGKSA-N 1 0 350.260 3.073 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000926910388 759845070 /nfs/dbraw/zinc/84/50/70/759845070.db2.gz UVSXIJUCDGRPEE-CQSZACIVSA-N 1 0 363.479 3.088 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000779038103 724383530 /nfs/dbraw/zinc/38/35/30/724383530.db2.gz IPCXABCUMWQKFI-WPRPVWTQSA-N 1 0 356.182 3.427 20 10 FGCDRO CN(C)c1ccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000057647497 493782940 /nfs/dbraw/zinc/78/29/40/493782940.db2.gz YFPAAZBRNJDULX-UHFFFAOYSA-N 1 0 362.493 3.052 20 10 FGCDRO CC(C)[N@H+](C)CC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000063583306 494066033 /nfs/dbraw/zinc/06/60/33/494066033.db2.gz WHAIOASHMFZBQX-UHFFFAOYSA-N 1 0 373.419 3.010 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136902 494268015 /nfs/dbraw/zinc/26/80/15/494268015.db2.gz HFYOMEAVFBRXJM-QGZVFWFLSA-N 1 0 357.454 3.354 20 10 FGCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079459567 494459321 /nfs/dbraw/zinc/45/93/21/494459321.db2.gz PLMXBDDMQWTMQN-LJQANCHMSA-N 1 0 370.541 3.303 20 10 FGCDRO CCc1nsc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091676399 494642037 /nfs/dbraw/zinc/64/20/37/494642037.db2.gz GCPMWZBSRXUUDR-UHFFFAOYSA-N 1 0 357.527 3.245 20 10 FGCDRO Cc1ccc(O)c(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000092512083 494652169 /nfs/dbraw/zinc/65/21/69/494652169.db2.gz WIHXUBFYXLWRKK-UHFFFAOYSA-N 1 0 363.479 3.005 20 10 FGCDRO OCCn1nccc1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000092811152 494756395 /nfs/dbraw/zinc/75/63/95/494756395.db2.gz LKHHPWNYROWURB-UHFFFAOYSA-N 1 0 351.450 3.114 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1O ZINC000093200669 494842280 /nfs/dbraw/zinc/84/22/80/494842280.db2.gz NCUCXAKXQOENKA-AWEZNQCLSA-N 1 0 360.433 3.286 20 10 FGCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000127698224 494983483 /nfs/dbraw/zinc/98/34/83/494983483.db2.gz WFCATXONOKUZBN-GOSISDBHSA-N 1 0 373.541 3.355 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCC([C@H](O)c3ccc(F)cc3)CC1)OCO2 ZINC000118962772 495059448 /nfs/dbraw/zinc/05/94/48/495059448.db2.gz UECOUYNQIOMJQL-HXUWFJFHSA-N 1 0 359.397 3.206 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000113324371 495296415 /nfs/dbraw/zinc/29/64/15/495296415.db2.gz LNKLXMYMBRNZNX-UHFFFAOYSA-N 1 0 350.821 3.311 20 10 FGCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000159028546 495640305 /nfs/dbraw/zinc/64/03/05/495640305.db2.gz UDXDPTIKCDUYLY-QGZVFWFLSA-N 1 0 355.482 3.174 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000179657157 495680367 /nfs/dbraw/zinc/68/03/67/495680367.db2.gz QZNYBZHUEWWNTR-OAHLLOKOSA-N 1 0 356.470 3.098 20 10 FGCDRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(C)n1-c1ccccc1 ZINC000179750602 495717329 /nfs/dbraw/zinc/71/73/29/495717329.db2.gz GXNRZNITKZZJSA-UHFFFAOYSA-N 1 0 369.509 3.013 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151249719 495783887 /nfs/dbraw/zinc/78/38/87/495783887.db2.gz GDDAATLWQXNQQG-HXUWFJFHSA-N 1 0 354.498 3.225 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1OC ZINC000155073071 495824990 /nfs/dbraw/zinc/82/49/90/495824990.db2.gz CAVNHQDYCUJXKI-GOSISDBHSA-N 1 0 351.830 3.060 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2ccccc2c1O ZINC000186100662 495855830 /nfs/dbraw/zinc/85/58/30/495855830.db2.gz UVHOSSGYQGPTLD-CQSZACIVSA-N 1 0 374.506 3.153 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000180594926 496060254 /nfs/dbraw/zinc/06/02/54/496060254.db2.gz JGUIRQMBAFUWST-DYLHUKMJSA-N 1 0 356.422 3.047 20 10 FGCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1O)CC2 ZINC000187146788 496312966 /nfs/dbraw/zinc/31/29/66/496312966.db2.gz QAJMOFWVDJIMQT-MFKMUULPSA-N 1 0 365.275 3.029 20 10 FGCDRO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000162908257 496431978 /nfs/dbraw/zinc/43/19/78/496431978.db2.gz QVVDDLHAQBKIPC-SZUKKWSHSA-N 1 0 364.555 3.333 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000184965314 496603319 /nfs/dbraw/zinc/60/33/19/496603319.db2.gz FBETULJFFJFFQL-QGZVFWFLSA-N 1 0 367.493 3.454 20 10 FGCDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000165176904 496651419 /nfs/dbraw/zinc/65/14/19/496651419.db2.gz IIVQJTOTCUDIGZ-FQEVSTJZSA-N 1 0 356.441 3.448 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000185131725 496673724 /nfs/dbraw/zinc/67/37/24/496673724.db2.gz HTOZGTLCEYBKIN-XOBRGWDASA-N 1 0 370.449 3.369 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)c1 ZINC000185197558 496700620 /nfs/dbraw/zinc/70/06/20/496700620.db2.gz TUHOQQPHBJVWRZ-GOSISDBHSA-N 1 0 370.493 3.262 20 10 FGCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)ccc1O ZINC000185211231 496704992 /nfs/dbraw/zinc/70/49/92/496704992.db2.gz JHQNDFHMGYUYOS-OAHLLOKOSA-N 1 0 371.319 3.306 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185278532 496723518 /nfs/dbraw/zinc/72/35/18/496723518.db2.gz OACBFESUJWNQPB-INIZCTEOSA-N 1 0 372.488 3.364 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(Cl)ccc1O ZINC000273383090 496790187 /nfs/dbraw/zinc/79/01/87/496790187.db2.gz CGRODFXKTIDOSJ-GUYCJALGSA-N 1 0 359.857 3.282 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000273435063 496804697 /nfs/dbraw/zinc/80/46/97/496804697.db2.gz WSHIMCBDDSMIAB-GFCCVEGCSA-N 1 0 353.871 3.441 20 10 FGCDRO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866589 496809767 /nfs/dbraw/zinc/80/97/67/496809767.db2.gz CNYMURHXDDFIBG-INIZCTEOSA-N 1 0 361.505 3.330 20 10 FGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000273566881 496842855 /nfs/dbraw/zinc/84/28/55/496842855.db2.gz JVHSBVJPTUSOFG-QGZVFWFLSA-N 1 0 367.493 3.220 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273610342 496853027 /nfs/dbraw/zinc/85/30/27/496853027.db2.gz VOGJJWPXZAYAQH-LSDHHAIUSA-N 1 0 362.495 3.329 20 10 FGCDRO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H](O)C(F)(F)F ZINC000274045246 497001595 /nfs/dbraw/zinc/00/15/95/497001595.db2.gz MDXCKVSWVGZSLJ-QGZVFWFLSA-N 1 0 360.420 3.047 20 10 FGCDRO CCOc1cccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1O ZINC000264970635 497022582 /nfs/dbraw/zinc/02/25/82/497022582.db2.gz QVKGDDLNAZIFTO-UHFFFAOYSA-N 1 0 358.438 3.034 20 10 FGCDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Br)cc1O ZINC000274336819 497073857 /nfs/dbraw/zinc/07/38/57/497073857.db2.gz CETKQGJJZRMZBN-SNVBAGLBSA-N 1 0 368.300 3.350 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc2c(cc1O)CCCC2 ZINC000274811098 497171479 /nfs/dbraw/zinc/17/14/79/497171479.db2.gz UZVUTDQMYMULAC-INIZCTEOSA-N 1 0 367.493 3.353 20 10 FGCDRO Cc1nn2c(CN(Cc3ccccc3O)C[C@@H]3CCCO3)c(C)nc2s1 ZINC000270997668 497242808 /nfs/dbraw/zinc/24/28/08/497242808.db2.gz JZYUMKSHDDPZEQ-INIZCTEOSA-N 1 0 372.494 3.294 20 10 FGCDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000271902796 497484066 /nfs/dbraw/zinc/48/40/66/497484066.db2.gz VZDJDEXCCNCCQD-DNVCBOLYSA-N 1 0 350.478 3.110 20 10 FGCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000277147452 497756078 /nfs/dbraw/zinc/75/60/78/497756078.db2.gz PVFOCHFVLYVLOD-OAHLLOKOSA-N 1 0 350.478 3.224 20 10 FGCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000280890589 497937208 /nfs/dbraw/zinc/93/72/08/497937208.db2.gz FBXZKEYTWYLHLH-TZMCWYRMSA-N 1 0 369.303 3.372 20 10 FGCDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000281017056 497989361 /nfs/dbraw/zinc/98/93/61/497989361.db2.gz XGAIJUWZPKAAJJ-UHFFFAOYSA-N 1 0 357.420 3.308 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000289855362 498324697 /nfs/dbraw/zinc/32/46/97/498324697.db2.gz BKPOMWSIRWREDE-CKJXQJPGSA-N 1 0 358.457 3.435 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccn1C ZINC000362259103 498483359 /nfs/dbraw/zinc/48/33/59/498483359.db2.gz TUXPGKZBJBBCDH-CYBMUJFWSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2F)C[C@H](C)O1 ZINC000290829057 498692754 /nfs/dbraw/zinc/69/27/54/498692754.db2.gz HUHIZQNLFKNASX-KBPBESRZSA-N 1 0 369.444 3.000 20 10 FGCDRO Cc1nccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000576096226 506075897 /nfs/dbraw/zinc/07/58/97/506075897.db2.gz QICVAVVKTFLDOX-UHFFFAOYSA-N 1 0 363.465 3.145 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000366294323 498862252 /nfs/dbraw/zinc/86/22/52/498862252.db2.gz LJKMNNOMGQFOCS-UONOGXRCSA-N 1 0 368.403 3.496 20 10 FGCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C2 ZINC000363866018 499031269 /nfs/dbraw/zinc/03/12/69/499031269.db2.gz OAQNPSVFAISBFI-IINYFYTJSA-N 1 0 362.271 3.461 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000363967026 499070010 /nfs/dbraw/zinc/07/00/10/499070010.db2.gz RRTMKPYGENKRJQ-PXNSSMCTSA-N 1 0 356.514 3.053 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000363967032 499070267 /nfs/dbraw/zinc/07/02/67/499070267.db2.gz RRTMKPYGENKRJQ-YLJYHZDGSA-N 1 0 356.514 3.053 20 10 FGCDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295776094 499099841 /nfs/dbraw/zinc/09/98/41/499099841.db2.gz AQJOBXUHZLOOEW-MRXNPFEDSA-N 1 0 374.506 3.246 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598004 499151612 /nfs/dbraw/zinc/15/16/12/499151612.db2.gz FCUVBDYVKKRPEZ-GXTWGEPZSA-N 1 0 358.442 3.023 20 10 FGCDRO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000367438568 499199134 /nfs/dbraw/zinc/19/91/34/499199134.db2.gz NUILNLCHPNVIEL-HNNXBMFYSA-N 1 0 358.461 3.046 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000370373591 499214333 /nfs/dbraw/zinc/21/43/33/499214333.db2.gz JXSMKOWVROMULG-WBVHZDCISA-N 1 0 356.441 3.273 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)c(O)c1 ZINC000370375426 499214798 /nfs/dbraw/zinc/21/47/98/499214798.db2.gz UVCFWMZGEFGGSQ-JKSUJKDBSA-N 1 0 353.466 3.119 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(Cl)c1[O-] ZINC000367897045 499243033 /nfs/dbraw/zinc/24/30/33/499243033.db2.gz QOQCJQDHLJZAAX-WMLDXEAASA-N 1 0 359.857 3.396 20 10 FGCDRO FC(F)(F)Oc1ccc(N2CC[C@@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000370758278 499251934 /nfs/dbraw/zinc/25/19/34/499251934.db2.gz RRPMWJFVNVOLCC-AWEZNQCLSA-N 1 0 356.388 3.348 20 10 FGCDRO Cc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)n1-c1ccccn1 ZINC000371229421 499300215 /nfs/dbraw/zinc/30/02/15/499300215.db2.gz JBIDITQKQWFIHC-IBGZPJMESA-N 1 0 352.482 3.093 20 10 FGCDRO COc1cccc(C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)c1O ZINC000371327925 499310699 /nfs/dbraw/zinc/31/06/99/499310699.db2.gz QHFJUGUIRLTFJK-LJQANCHMSA-N 1 0 360.498 3.404 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)c3c(F)cccc3F)CC2)cc1 ZINC000371432003 499325811 /nfs/dbraw/zinc/32/58/11/499325811.db2.gz IDRPEDKTADUYTK-IBGZPJMESA-N 1 0 362.420 3.265 20 10 FGCDRO COc1ccc(-n2c(C)cc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H]([NH3+])C4)c2C)cc1 ZINC000368794223 499333232 /nfs/dbraw/zinc/33/32/32/499333232.db2.gz AISNDLWMQCCUJE-VBUUOAMHSA-N 1 0 353.466 3.197 20 10 FGCDRO COC(=O)c1ccnc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)c1 ZINC000371865282 499373062 /nfs/dbraw/zinc/37/30/62/499373062.db2.gz TWZNBJMVAPHVRV-HNNXBMFYSA-N 1 0 369.465 3.202 20 10 FGCDRO COc1cccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c1O ZINC000373489886 499472872 /nfs/dbraw/zinc/47/28/72/499472872.db2.gz NCDFWJYROXQRNC-UHFFFAOYSA-N 1 0 358.404 3.296 20 10 FGCDRO C[C@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000373521422 499474712 /nfs/dbraw/zinc/47/47/12/499474712.db2.gz KPDHDGARKGVAEL-IVMQYODDSA-N 1 0 361.505 3.330 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1O ZINC000378335828 499502877 /nfs/dbraw/zinc/50/28/77/499502877.db2.gz UNMORHIFSZJMJM-UHFFFAOYSA-N 1 0 366.259 3.266 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Br)ccc1O ZINC000376302014 499598800 /nfs/dbraw/zinc/59/88/00/499598800.db2.gz IMHAVCFCUQIZAB-RBOXIYTFSA-N 1 0 356.260 3.143 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377911987 499747514 /nfs/dbraw/zinc/74/75/14/499747514.db2.gz JNPZPMJFUJGZSX-MRXNPFEDSA-N 1 0 355.482 3.453 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC(F)(F)F)C1 ZINC000435534244 500989056 /nfs/dbraw/zinc/98/90/56/500989056.db2.gz MERBVZBZMXPMSE-UHFFFAOYSA-N 1 0 367.415 3.429 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000472229587 502277738 /nfs/dbraw/zinc/27/77/38/502277738.db2.gz MAWKKJYUFYETAP-KRWDZBQOSA-N 1 0 354.498 3.303 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000527799329 503950363 /nfs/dbraw/zinc/95/03/63/503950363.db2.gz VGGWPPCBSZTUTG-AWEZNQCLSA-N 1 0 364.804 3.088 20 10 FGCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)cn1 ZINC000527990303 504029663 /nfs/dbraw/zinc/02/96/63/504029663.db2.gz MGZBFRRSGOBACJ-NSHDSACASA-N 1 0 351.244 3.452 20 10 FGCDRO Cc1ccnc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000539519573 504597643 /nfs/dbraw/zinc/59/76/43/504597643.db2.gz BOEAGUSMZCPKGY-UHFFFAOYSA-N 1 0 363.465 3.145 20 10 FGCDRO CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)ccc1O ZINC000037152651 695754358 /nfs/dbraw/zinc/75/43/58/695754358.db2.gz KJTAONFCHLUEJZ-MMWSSPAHSA-N 1 0 355.276 3.240 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000090592533 700406250 /nfs/dbraw/zinc/40/62/50/700406250.db2.gz FTJRUEREJWOYPP-CZUORRHYSA-N 1 0 357.420 3.347 20 10 FGCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccs1 ZINC000092010742 700430001 /nfs/dbraw/zinc/43/00/01/700430001.db2.gz NHXPHBLIEZCWAL-UHFFFAOYSA-N 1 0 355.507 3.210 20 10 FGCDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccc1O ZINC000109771692 700536513 /nfs/dbraw/zinc/53/65/13/700536513.db2.gz IEVKILGLAAJONY-NSHDSACASA-N 1 0 363.801 3.413 20 10 FGCDRO O=C(Nc1ccccn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000109846979 700537409 /nfs/dbraw/zinc/53/74/09/700537409.db2.gz UXYAOKHHQUMKLE-HNNXBMFYSA-N 1 0 360.845 3.227 20 10 FGCDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122414751 700689545 /nfs/dbraw/zinc/68/95/45/700689545.db2.gz KYSORGWDSGDFSL-LBPRGKRZSA-N 1 0 364.852 3.447 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)CCC(C)C)c1O ZINC000124022594 700713778 /nfs/dbraw/zinc/71/37/78/700713778.db2.gz FEFPGKUOXSSGIG-MRXNPFEDSA-N 1 0 360.292 3.440 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1O ZINC000128837692 700780288 /nfs/dbraw/zinc/78/02/88/700780288.db2.gz JRKDBOOLSFPBJD-GWCFXTLKSA-N 1 0 357.292 3.499 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000129917995 700793738 /nfs/dbraw/zinc/79/37/38/700793738.db2.gz ULJJKTGBWSDWQD-LLVKDONJSA-N 1 0 356.260 3.164 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000133678498 700840380 /nfs/dbraw/zinc/84/03/80/700840380.db2.gz WGFQSQCXCSBLKW-CJNGLKHVSA-N 1 0 350.409 3.121 20 10 FGCDRO CC1CC[NH+](CCCNC(=O)NCCCSc2nccs2)CC1 ZINC000151804580 704938576 /nfs/dbraw/zinc/93/85/76/704938576.db2.gz HLFSNRDMBXZWES-UHFFFAOYSA-N 1 0 356.561 3.047 20 10 FGCDRO O=C(NCCC[NH2+]C1CCCCC1)NCCCSc1nccs1 ZINC000154672295 705044426 /nfs/dbraw/zinc/04/44/26/705044426.db2.gz XCEXNGPBBPUVRK-UHFFFAOYSA-N 1 0 356.561 3.237 20 10 FGCDRO COc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1 ZINC000170738338 705359981 /nfs/dbraw/zinc/35/99/81/705359981.db2.gz RDHMSRKAMCZLRZ-XNTDXEJSSA-N 1 0 364.536 3.484 20 10 FGCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000171409034 705383860 /nfs/dbraw/zinc/38/38/60/705383860.db2.gz DQZWVLNUGJIEML-IUODEOHRSA-N 1 0 363.483 3.125 20 10 FGCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cc(Br)ccc2O)c(C)o1 ZINC000174442616 705504281 /nfs/dbraw/zinc/50/42/81/705504281.db2.gz FSSDRADGCXDMAS-MRXNPFEDSA-N 1 0 354.244 3.362 20 10 FGCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000179562052 705705218 /nfs/dbraw/zinc/70/52/18/705705218.db2.gz NKAAUHVQUWSCDG-HNNXBMFYSA-N 1 0 355.356 3.283 20 10 FGCDRO C[C@H](CCNC(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000181982655 705820658 /nfs/dbraw/zinc/82/06/58/705820658.db2.gz KFIDTRSSCAQARD-CQSZACIVSA-N 1 0 356.561 3.189 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000190003364 712805545 /nfs/dbraw/zinc/80/55/45/712805545.db2.gz VPVSIJPIVPGAEZ-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000381406822 713978774 /nfs/dbraw/zinc/97/87/74/713978774.db2.gz WSYBAUIJPGWIQT-GHMZBOCLSA-N 1 0 358.866 3.446 20 10 FGCDRO COCCN(CC[NH2+][C@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000385490235 713983549 /nfs/dbraw/zinc/98/35/49/713983549.db2.gz JAISQGVKIDJVMH-OAHLLOKOSA-N 1 0 352.475 3.235 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1(C(=O)OC)CCC1 ZINC000779341957 724408352 /nfs/dbraw/zinc/40/83/52/724408352.db2.gz PENPDZBSAQLSKZ-GOSISDBHSA-N 1 0 362.539 3.451 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000790934656 723196086 /nfs/dbraw/zinc/19/60/86/723196086.db2.gz QPABRMDJQHGFTB-BXUZGUMPSA-N 1 0 358.276 3.289 20 10 FGCDRO CCOc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC000769396431 723684309 /nfs/dbraw/zinc/68/43/09/723684309.db2.gz LEXNSPFUWLPRKN-CQSZACIVSA-N 1 0 350.459 3.232 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCCOC1 ZINC000780714328 724493901 /nfs/dbraw/zinc/49/39/01/724493901.db2.gz SBJRYOFUAGRHSA-HPFXQQBRSA-N 1 0 350.478 3.344 20 10 FGCDRO O=C(/C=C\c1ccc[nH]1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676452 724778044 /nfs/dbraw/zinc/77/80/44/724778044.db2.gz JTAOPYSVKVJWTH-BQLWYNFJSA-N 1 0 359.857 3.168 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)Cc1ccc(F)cc1 ZINC000725846467 722424671 /nfs/dbraw/zinc/42/46/71/722424671.db2.gz JGAWKYSKUMJBMV-CYBMUJFWSA-N 1 0 368.246 3.235 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000728945460 722455969 /nfs/dbraw/zinc/45/59/69/722455969.db2.gz USCKQLFYIOHUOR-BLLLJJGKSA-N 1 0 363.483 3.125 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000753619096 722907248 /nfs/dbraw/zinc/90/72/48/722907248.db2.gz JHCBEXJJJZVZAV-CXAGYDPISA-N 1 0 358.404 3.199 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756460401 722965012 /nfs/dbraw/zinc/96/50/12/722965012.db2.gz ZTQFOXRJHRVYCC-HNNXBMFYSA-N 1 0 359.491 3.396 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000756585613 722967283 /nfs/dbraw/zinc/96/72/83/722967283.db2.gz LASMIQRQQXAWRP-KRWDZBQOSA-N 1 0 360.523 3.321 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1cc(Cl)ccc1O ZINC000756741469 722969445 /nfs/dbraw/zinc/96/94/45/722969445.db2.gz FDZPBBSXYRNLLI-NSHDSACASA-N 1 0 351.855 3.226 20 10 FGCDRO CCc1nn(C)c(Cl)c1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222235 723134709 /nfs/dbraw/zinc/13/47/09/723134709.db2.gz RSEMDPKWEGRQSY-UHFFFAOYSA-N 1 0 350.894 3.213 20 10 FGCDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000763526935 723348441 /nfs/dbraw/zinc/34/84/41/723348441.db2.gz QGPKMEPMSHWXSM-APWZRJJASA-N 1 0 350.478 3.346 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000792982328 723389625 /nfs/dbraw/zinc/38/96/25/723389625.db2.gz LMZRRQSKHSIIPH-UHFFFAOYSA-N 1 0 366.449 3.074 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)c(C(F)(F)F)c1 ZINC000793010560 723392481 /nfs/dbraw/zinc/39/24/81/723392481.db2.gz DEGRROQZJPBXSK-CYBMUJFWSA-N 1 0 356.388 3.305 20 10 FGCDRO CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C)cc1O ZINC000794806378 723546937 /nfs/dbraw/zinc/54/69/37/723546937.db2.gz HYJMHNBEWJRXTK-GOSISDBHSA-N 1 0 363.479 3.224 20 10 FGCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(C)cc1O ZINC000794807156 723547067 /nfs/dbraw/zinc/54/70/67/723547067.db2.gz KNQJGQMUJXXYHT-SCLBCKFNSA-N 1 0 351.393 3.459 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000794826199 723547991 /nfs/dbraw/zinc/54/79/91/723547991.db2.gz ASDMWTHCUONVHX-ZBEGNZNMSA-N 1 0 363.255 3.340 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000794830249 723548151 /nfs/dbraw/zinc/54/81/51/723548151.db2.gz UQVHGTRBBTZMTC-MEDUHNTESA-N 1 0 363.255 3.340 20 10 FGCDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979439 723549748 /nfs/dbraw/zinc/54/97/48/723549748.db2.gz UAKCDUHFBTYKLI-UYAOXDASSA-N 1 0 364.555 3.370 20 10 FGCDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584783 723582693 /nfs/dbraw/zinc/58/26/93/723582693.db2.gz OJZBIQSAFKETNH-SIFCLUCFSA-N 1 0 363.933 3.310 20 10 FGCDRO CSC[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796313265 723632301 /nfs/dbraw/zinc/63/23/01/723632301.db2.gz RRTQEAPHPZCTLY-FQEVSTJZSA-N 1 0 356.535 3.453 20 10 FGCDRO COc1cc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c(O)cc1C ZINC000768443913 723657664 /nfs/dbraw/zinc/65/76/64/723657664.db2.gz IXQJMQZEOLNREK-UHFFFAOYSA-N 1 0 350.459 3.010 20 10 FGCDRO CCCC(=O)NC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000768882735 723670788 /nfs/dbraw/zinc/67/07/88/723670788.db2.gz RSGFMYGNRBLEQV-UHFFFAOYSA-N 1 0 355.276 3.035 20 10 FGCDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000769997647 723702714 /nfs/dbraw/zinc/70/27/14/723702714.db2.gz VZVWRMYMFFZMAS-OAHLLOKOSA-N 1 0 352.906 3.380 20 10 FGCDRO Cc1cnccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771417230 723734919 /nfs/dbraw/zinc/73/49/19/723734919.db2.gz MWZDOOOAUQJDDS-MRXNPFEDSA-N 1 0 359.857 3.143 20 10 FGCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000775152785 723964732 /nfs/dbraw/zinc/96/47/32/723964732.db2.gz GTDHHJKDCPEJET-CJNGLKHVSA-N 1 0 350.459 3.136 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1ccccc1O ZINC000775492174 723995764 /nfs/dbraw/zinc/99/57/64/723995764.db2.gz MYIFPRNEKORNAJ-GOSISDBHSA-N 1 0 362.495 3.320 20 10 FGCDRO CC[C@H]([NH2+]CCCNc1ncccn1)c1cc(Br)ccc1O ZINC000775513342 723997450 /nfs/dbraw/zinc/99/74/50/723997450.db2.gz XLTJWTYPLCMQEE-AWEZNQCLSA-N 1 0 365.275 3.488 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1F ZINC000775620146 724011834 /nfs/dbraw/zinc/01/18/34/724011834.db2.gz BKAFLIZSDJVIGZ-JKSUJKDBSA-N 1 0 351.466 3.427 20 10 FGCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1O ZINC000775701177 724027747 /nfs/dbraw/zinc/02/77/47/724027747.db2.gz DBITXUJLQZWVKK-UHFFFAOYSA-N 1 0 358.869 3.373 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000775735303 724034340 /nfs/dbraw/zinc/03/43/40/724034340.db2.gz LEZRDYFDDHMFMH-ZDUSSCGKSA-N 1 0 364.287 3.261 20 10 FGCDRO CC1CC[NH+]([C@@H](CNC(=O)c2cccc(O)c2O)c2cccs2)CC1 ZINC000776318358 724131762 /nfs/dbraw/zinc/13/17/62/724131762.db2.gz WTLZJRQXIVRJMS-HNNXBMFYSA-N 1 0 360.479 3.362 20 10 FGCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(Br)cc1OC ZINC000778179415 724307417 /nfs/dbraw/zinc/30/74/17/724307417.db2.gz HINWTRLEHOASBT-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000805840741 725100340 /nfs/dbraw/zinc/10/03/40/725100340.db2.gz WLKRLIYPLGMOTD-UHFFFAOYSA-N 1 0 353.457 3.221 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1O ZINC000809718355 725262164 /nfs/dbraw/zinc/26/21/64/725262164.db2.gz IVKYJAPHHKRWPJ-HSZRJFAPSA-N 1 0 353.871 3.223 20 10 FGCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000809726874 725263377 /nfs/dbraw/zinc/26/33/77/725263377.db2.gz WSBRUYYUQXUUBE-MRXNPFEDSA-N 1 0 350.459 3.282 20 10 FGCDRO COc1cccc(O)c1CN(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000809736969 725263949 /nfs/dbraw/zinc/26/39/49/725263949.db2.gz ADWWPLMXUVADCI-UHFFFAOYSA-N 1 0 350.409 3.243 20 10 FGCDRO CCN(CCC[NH+](CC)CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749051 725264704 /nfs/dbraw/zinc/26/47/04/725264704.db2.gz IVQQMLXNRHIYMS-UHFFFAOYSA-N 1 0 351.510 3.216 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(C(F)(F)F)c1 ZINC000809757489 725265794 /nfs/dbraw/zinc/26/57/94/725265794.db2.gz OFCDUKJPAWYJNY-CQSZACIVSA-N 1 0 352.404 3.494 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000809767540 725266689 /nfs/dbraw/zinc/26/66/89/725266689.db2.gz NMAVSKLBASQPBT-CZUORRHYSA-N 1 0 353.304 3.379 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810223333 725297827 /nfs/dbraw/zinc/29/78/27/725297827.db2.gz LABHSZMVSXVERH-GWCFXTLKSA-N 1 0 353.406 3.275 20 10 FGCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810226374 725298241 /nfs/dbraw/zinc/29/82/41/725298241.db2.gz FAMXEWLMFQEONM-TZMCWYRMSA-N 1 0 359.392 3.256 20 10 FGCDRO COc1cc(Cl)cc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1O ZINC000812778041 726809722 /nfs/dbraw/zinc/80/97/22/726809722.db2.gz GBTVLPGRHSQNMU-QGZVFWFLSA-N 1 0 362.857 3.233 20 10 FGCDRO Cc1cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)ccc1N(C)C ZINC000815050760 727026745 /nfs/dbraw/zinc/02/67/45/727026745.db2.gz FAXFCDYMEOAYHE-UHFFFAOYSA-N 1 0 358.917 3.427 20 10 FGCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Br)nc1 ZINC000817942087 727288909 /nfs/dbraw/zinc/28/89/09/727288909.db2.gz MDRRKEPELLCUSW-WBMJQRKESA-N 1 0 363.303 3.261 20 10 FGCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964342 727331660 /nfs/dbraw/zinc/33/16/60/727331660.db2.gz RYUIKLKYGKSNOG-UWJYYQICSA-N 1 0 356.535 3.494 20 10 FGCDRO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000818984849 727334323 /nfs/dbraw/zinc/33/43/23/727334323.db2.gz IMAZILMBEKJUOR-HNNXBMFYSA-N 1 0 364.486 3.143 20 10 FGCDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819063368 727343713 /nfs/dbraw/zinc/34/37/13/727343713.db2.gz MAZOSNXUISLZCD-HNNXBMFYSA-N 1 0 352.525 3.272 20 10 FGCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819290549 727365025 /nfs/dbraw/zinc/36/50/25/727365025.db2.gz IMHJKRNHYOUHBQ-NVXWUHKLSA-N 1 0 354.922 3.453 20 10 FGCDRO C[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000823371846 729272633 /nfs/dbraw/zinc/27/26/33/729272633.db2.gz NEHLKKMJPAMNEV-INIZCTEOSA-N 1 0 360.523 3.392 20 10 FGCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404137 729276521 /nfs/dbraw/zinc/27/65/21/729276521.db2.gz MIIBZNSMEKTTSR-LJQANCHMSA-N 1 0 357.523 3.485 20 10 FGCDRO CS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000823736487 729302010 /nfs/dbraw/zinc/30/20/10/729302010.db2.gz DGQHTDRXOWBOIJ-UHFFFAOYSA-N 1 0 358.507 3.370 20 10 FGCDRO CN(CC(F)F)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824888984 729363783 /nfs/dbraw/zinc/36/37/83/729363783.db2.gz LIYKMJXSGMILQE-UHFFFAOYSA-N 1 0 363.246 3.316 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000825091003 729370265 /nfs/dbraw/zinc/37/02/65/729370265.db2.gz QRSBRHVRRHZWCO-CYBMUJFWSA-N 1 0 358.276 3.146 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(C)n1-c1ccc(F)cc1 ZINC000825200261 729374314 /nfs/dbraw/zinc/37/43/14/729374314.db2.gz BYVNANKLEQPEAN-HNNXBMFYSA-N 1 0 357.351 3.243 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl ZINC000825222595 729375130 /nfs/dbraw/zinc/37/51/30/729375130.db2.gz KFQKPCMXJGJGBF-UHFFFAOYSA-N 1 0 368.886 3.040 20 10 FGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825277740 729376813 /nfs/dbraw/zinc/37/68/13/729376813.db2.gz FKOCBMOSKOXEAY-MLGOLLRUSA-N 1 0 350.256 3.409 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1F ZINC000825342270 729379612 /nfs/dbraw/zinc/37/96/12/729379612.db2.gz BEFUTXQOHJKEEV-QGZVFWFLSA-N 1 0 367.262 3.477 20 10 FGCDRO Oc1cc(Br)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000825536194 729386941 /nfs/dbraw/zinc/38/69/41/729386941.db2.gz GVACBRLASFLDPC-UHFFFAOYSA-N 1 0 358.301 3.253 20 10 FGCDRO Cc1cc(O)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Cl ZINC000825715709 729392588 /nfs/dbraw/zinc/39/25/88/729392588.db2.gz DZMLEBLVLNGWJS-UHFFFAOYSA-N 1 0 350.806 3.296 20 10 FGCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000826122962 729405658 /nfs/dbraw/zinc/40/56/58/729405658.db2.gz AITYAPPMWHNHBW-OAHLLOKOSA-N 1 0 367.287 3.132 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](C)COc2c(F)cccc2F)cc1OC ZINC000827105584 729424430 /nfs/dbraw/zinc/42/44/30/729424430.db2.gz FIRMRBQZEAYPKX-NSHDSACASA-N 1 0 353.365 3.245 20 10 FGCDRO Cc1cc(CN2CCC[C@@H](CS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000830018870 729530623 /nfs/dbraw/zinc/53/06/23/729530623.db2.gz ZAGOHRAPZCRXDO-LJQANCHMSA-N 1 0 364.555 3.242 20 10 FGCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000832267224 729701001 /nfs/dbraw/zinc/70/10/01/729701001.db2.gz OMVRPLUDURXTQP-BXUZGUMPSA-N 1 0 351.903 3.387 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2cc(Cl)cs2)cc1 ZINC000832272737 729701249 /nfs/dbraw/zinc/70/12/49/729701249.db2.gz JQKXLGMPECLZEM-INIZCTEOSA-N 1 0 351.903 3.216 20 10 FGCDRO Cc1cc(OC(F)F)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832274446 729701590 /nfs/dbraw/zinc/70/15/90/729701590.db2.gz SZNDGNVUAIWOEZ-ZDUSSCGKSA-N 1 0 369.437 3.154 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000832285528 729702348 /nfs/dbraw/zinc/70/23/48/729702348.db2.gz RMSFWHAOLMBBFY-INIZCTEOSA-N 1 0 351.372 3.201 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(Cl)ccc1O ZINC000834910484 729845923 /nfs/dbraw/zinc/84/59/23/729845923.db2.gz HVRSAFINRLKFGM-OCCSQVGLSA-N 1 0 370.877 3.332 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000837307081 730016239 /nfs/dbraw/zinc/01/62/39/730016239.db2.gz YEBQUWTZVPXOOH-CVEARBPZSA-N 1 0 357.885 3.429 20 10 FGCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840759489 730170381 /nfs/dbraw/zinc/17/03/81/730170381.db2.gz MSHDTDKPPYCMOX-YJBOKZPZSA-N 1 0 354.441 3.096 20 10 FGCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840759485 730170474 /nfs/dbraw/zinc/17/04/74/730170474.db2.gz MSHDTDKPPYCMOX-QAPCUYQASA-N 1 0 354.441 3.096 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1O ZINC000840797086 730175257 /nfs/dbraw/zinc/17/52/57/730175257.db2.gz PTAPGGVXPYWXPW-CJNGLKHVSA-N 1 0 369.889 3.420 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c(Cl)c1 ZINC000840879022 730187182 /nfs/dbraw/zinc/18/71/82/730187182.db2.gz BJLXMFCCDAWYDL-UHFFFAOYSA-N 1 0 360.885 3.476 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000840940243 730194335 /nfs/dbraw/zinc/19/43/35/730194335.db2.gz XLWSAKTXBYIVAY-QGZVFWFLSA-N 1 0 359.901 3.148 20 10 FGCDRO COc1ccc2nc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)sc2c1 ZINC000841040880 730205508 /nfs/dbraw/zinc/20/55/08/730205508.db2.gz AYNTYHFTPOYSOS-MRXNPFEDSA-N 1 0 356.495 3.161 20 10 FGCDRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1O ZINC000841751491 730270488 /nfs/dbraw/zinc/27/04/88/730270488.db2.gz NITFMOLCQFJMRS-LLVKDONJSA-N 1 0 374.915 3.078 20 10 FGCDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752705 730270720 /nfs/dbraw/zinc/27/07/20/730270720.db2.gz VFSFEGOARXOUJH-OLZOCXBDSA-N 1 0 357.841 3.495 20 10 FGCDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841751519 730270799 /nfs/dbraw/zinc/27/07/99/730270799.db2.gz HQENERMDLXIPMO-CYBMUJFWSA-N 1 0 362.857 3.064 20 10 FGCDRO COc1cc(C[NH2+]Cc2c(O)cccc2OC)c(Br)cc1O ZINC000842780058 730542782 /nfs/dbraw/zinc/54/27/82/730542782.db2.gz YTOJOUDLONABOF-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO COc1cc(O)c(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000843115776 730587700 /nfs/dbraw/zinc/58/77/00/730587700.db2.gz SUEFBRFSEBXKDB-MRXNPFEDSA-N 1 0 362.857 3.209 20 10 FGCDRO Cc1ccc(S(=O)(=O)CCCN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350294 730609658 /nfs/dbraw/zinc/60/96/58/730609658.db2.gz LZUJWUCROANOGG-UHFFFAOYSA-N 1 0 358.507 3.070 20 10 FGCDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000844902222 730786995 /nfs/dbraw/zinc/78/69/95/730786995.db2.gz LYXUGKXPORDMOG-SGIREYDYSA-N 1 0 359.297 3.417 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)c1O ZINC000848528850 731175959 /nfs/dbraw/zinc/17/59/59/731175959.db2.gz ILAZUYZUZIMKLH-GXFFZTMASA-N 1 0 370.243 3.449 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)c1O ZINC000848529526 731175963 /nfs/dbraw/zinc/17/59/63/731175963.db2.gz PHDRETZIGXFXOF-LOWVWBTDSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1O ZINC000848529177 731175993 /nfs/dbraw/zinc/17/59/93/731175993.db2.gz LADUFVOELQHBHH-VHSXEESVSA-N 1 0 354.248 3.309 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1O ZINC000848552623 731180640 /nfs/dbraw/zinc/18/06/40/731180640.db2.gz FEGPQXRRCYKWAT-GYSYKLTISA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000848554175 731180810 /nfs/dbraw/zinc/18/08/10/731180810.db2.gz QSUDFQUFJMGFOJ-MNOVXSKESA-N 1 0 368.275 3.179 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1O ZINC000848575579 731184629 /nfs/dbraw/zinc/18/46/29/731184629.db2.gz SPTAWTUQMLXJMC-CABCVRRESA-N 1 0 369.303 3.270 20 10 FGCDRO CCc1cccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1O ZINC000848885028 731217624 /nfs/dbraw/zinc/21/76/24/731217624.db2.gz QFDLAZZZAMVSGW-UHFFFAOYSA-N 1 0 354.479 3.282 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)CSc1ncc(Cl)s1)c1ccccc1 ZINC000849997724 731307566 /nfs/dbraw/zinc/30/75/66/731307566.db2.gz DGMCDJZZUAULNB-GFCCVEGCSA-N 1 0 355.916 3.308 20 10 FGCDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850113771 731320718 /nfs/dbraw/zinc/32/07/18/731320718.db2.gz UYKYZVGFUZUDHO-CQSZACIVSA-N 1 0 350.459 3.019 20 10 FGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850356886 731347758 /nfs/dbraw/zinc/34/77/58/731347758.db2.gz SHDMCUZTROEBMO-WDNXAPGXSA-N 1 0 353.528 3.478 20 10 FGCDRO COC[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C1CCOCC1 ZINC000850494474 731364084 /nfs/dbraw/zinc/36/40/84/731364084.db2.gz RYBDXKJUPKUZLF-XHDPSFHLSA-N 1 0 358.276 3.247 20 10 FGCDRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(Br)ccc1O ZINC000850498148 731364824 /nfs/dbraw/zinc/36/48/24/731364824.db2.gz XWRZYWSFYCNXGK-FFVOIRBGSA-N 1 0 374.222 3.116 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000850502747 731366030 /nfs/dbraw/zinc/36/60/30/731366030.db2.gz YPEZRDPSNRILJH-UONOGXRCSA-N 1 0 361.452 3.334 20 10 FGCDRO C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000850556876 731372673 /nfs/dbraw/zinc/37/26/73/731372673.db2.gz KJTKFCYQJSRJTR-WFASDCNBSA-N 1 0 369.303 3.059 20 10 FGCDRO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000850557062 731372810 /nfs/dbraw/zinc/37/28/10/731372810.db2.gz KPJQNZYIISRDQT-SWLSCSKDSA-N 1 0 369.303 3.059 20 10 FGCDRO C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000850557058 731372828 /nfs/dbraw/zinc/37/28/28/731372828.db2.gz KPJQNZYIISRDQT-DOMZBBRYSA-N 1 0 369.303 3.059 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cc2)CC1 ZINC000850568023 731374325 /nfs/dbraw/zinc/37/43/25/731374325.db2.gz NZXAMAQFHRLHJW-QYZOEREBSA-N 1 0 364.580 3.117 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000853121531 731667734 /nfs/dbraw/zinc/66/77/34/731667734.db2.gz GFEKSEFMPBOBQM-HXUWFJFHSA-N 1 0 360.885 3.124 20 10 FGCDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000854392547 731823922 /nfs/dbraw/zinc/82/39/22/731823922.db2.gz CQBVLJHEEBWHTB-UHFFFAOYSA-N 1 0 362.451 3.205 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000858100251 732180532 /nfs/dbraw/zinc/18/05/32/732180532.db2.gz PQWGVFFQRTUPNB-JTQLQIEISA-N 1 0 367.209 3.129 20 10 FGCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Br)Cc1ccc(F)cc1 ZINC000858106625 732181089 /nfs/dbraw/zinc/18/10/89/732181089.db2.gz NADUZYKVGXMCFF-ZDUSSCGKSA-N 1 0 368.246 3.235 20 10 FGCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000858138751 732185076 /nfs/dbraw/zinc/18/50/76/732185076.db2.gz JTKPLSJYCJDDNQ-MLGOLLRUSA-N 1 0 350.256 3.409 20 10 FGCDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858191945 732191010 /nfs/dbraw/zinc/19/10/10/732191010.db2.gz FRKABGARJSPBAV-CJNGLKHVSA-N 1 0 364.287 3.389 20 10 FGCDRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cc(Br)ccc2O)n1 ZINC000858591548 732229572 /nfs/dbraw/zinc/22/95/72/732229572.db2.gz GBMSSJVXXXDXNI-PELMWDNLSA-N 1 0 368.231 3.027 20 10 FGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000862371561 732818568 /nfs/dbraw/zinc/81/85/68/732818568.db2.gz HWLASNWHKWZOFL-LLVKDONJSA-N 1 0 356.651 3.452 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc(Cl)c(F)c3)cc2F)CC1 ZINC000865427071 733198266 /nfs/dbraw/zinc/19/82/66/733198266.db2.gz MRHGNEVBKSMMNG-UHFFFAOYSA-N 1 0 367.827 3.264 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC000865463375 733205724 /nfs/dbraw/zinc/20/57/24/733205724.db2.gz IXWMAJWUEQNIST-GFCCVEGCSA-N 1 0 360.401 3.039 20 10 FGCDRO Cc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(O)c1 ZINC000876649470 736126712 /nfs/dbraw/zinc/12/67/12/736126712.db2.gz WYWQXYQVJDDDLE-UHFFFAOYSA-N 1 0 358.507 3.333 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)[C@H]1CCCOC1 ZINC000886789670 739299730 /nfs/dbraw/zinc/29/97/30/739299730.db2.gz ZNZDYUXRKVEFEY-XUJVJEKNSA-N 1 0 358.276 3.247 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c(O)c1OC ZINC000892426009 739999689 /nfs/dbraw/zinc/99/96/89/739999689.db2.gz QXPMRRJEKZSVIG-OAHLLOKOSA-N 1 0 362.495 3.398 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c(O)c1 ZINC000894638162 742312413 /nfs/dbraw/zinc/31/24/13/742312413.db2.gz QESUNXSUNDSKDG-LBPRGKRZSA-N 1 0 360.401 3.039 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000895458278 742414468 /nfs/dbraw/zinc/41/44/68/742414468.db2.gz NLADHPJQUQFCFN-CQSZACIVSA-N 1 0 363.479 3.006 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896983986 742626597 /nfs/dbraw/zinc/62/65/97/742626597.db2.gz GIXHBVSIZQENJN-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)cc1C ZINC000898292778 742771611 /nfs/dbraw/zinc/77/16/11/742771611.db2.gz XUSVXEUTYMEPHX-UHFFFAOYSA-N 1 0 360.479 3.203 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1O ZINC000903259547 743831097 /nfs/dbraw/zinc/83/10/97/743831097.db2.gz FTKXYVAKWCMUGL-VAHXTSCQSA-N 1 0 356.260 3.381 20 10 FGCDRO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000903273626 743833426 /nfs/dbraw/zinc/83/34/26/743833426.db2.gz CJXPVROXCJXZQI-CQSZACIVSA-N 1 0 366.868 3.193 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Br)ccc1O ZINC000903390662 743843900 /nfs/dbraw/zinc/84/39/00/743843900.db2.gz SPAYQUPUIATUDT-NHYWBVRUSA-N 1 0 356.260 3.143 20 10 FGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1 ZINC000903436027 743851236 /nfs/dbraw/zinc/85/12/36/743851236.db2.gz TYIPIBNWYBIRBQ-QWHCGFSZSA-N 1 0 362.861 3.088 20 10 FGCDRO CSc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000911666734 757201837 /nfs/dbraw/zinc/20/18/37/757201837.db2.gz LFWOBGNDIPSDOF-LJQANCHMSA-N 1 0 357.523 3.223 20 10 FGCDRO CCN1C(=O)/C(=C\c2ccc(OCC[NH+]3CCCC3)cc2)SC1=S ZINC000914703211 757825408 /nfs/dbraw/zinc/82/54/08/757825408.db2.gz RPHJRMZYSDJHNF-DTQAZKPQSA-N 1 0 362.520 3.382 20 10 FGCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000917462177 758224610 /nfs/dbraw/zinc/22/46/10/758224610.db2.gz BCGIMMCLKZCWAU-OAHLLOKOSA-N 1 0 353.528 3.255 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@]23CCC[C@H]2OCC3)c1O ZINC000922699101 758985342 /nfs/dbraw/zinc/98/53/42/758985342.db2.gz QJNDEBFNBVRURX-GDBMZVCRSA-N 1 0 356.260 3.212 20 10 FGCDRO C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000925781975 759538310 /nfs/dbraw/zinc/53/83/10/759538310.db2.gz JPWWPHXTOMYPPX-KBPBESRZSA-N 1 0 373.875 3.072 20 10 FGCDRO FC1(F)C[C@]2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1(F)F ZINC000931909582 761000209 /nfs/dbraw/zinc/00/02/09/761000209.db2.gz SBXVWEJLLWKPTG-INIZCTEOSA-N 1 0 358.379 3.390 20 10 FGCDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000077817303 494185645 /nfs/dbraw/zinc/18/56/45/494185645.db2.gz BLYWEJTXCZPCGL-KGHZBTQCSA-N 1 0 365.437 3.108 20 10 FGCDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000088493943 494243833 /nfs/dbraw/zinc/24/38/33/494243833.db2.gz BJZHPOIEOUURCG-UHFFFAOYSA-N 1 0 370.497 3.153 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000092644554 494692503 /nfs/dbraw/zinc/69/25/03/494692503.db2.gz XSFVJHVROPUQRE-UHFFFAOYSA-N 1 0 358.507 3.333 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC000092648427 494692541 /nfs/dbraw/zinc/69/25/41/494692541.db2.gz CKELOTSXDLJOGD-UHFFFAOYSA-N 1 0 366.259 3.197 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC000092644714 494694397 /nfs/dbraw/zinc/69/43/97/494694397.db2.gz BYUHGDMHLILOPL-UHFFFAOYSA-N 1 0 360.498 3.452 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1O ZINC000092967174 494796893 /nfs/dbraw/zinc/79/68/93/494796893.db2.gz ZPXFZYBOCVXSNZ-AWEZNQCLSA-N 1 0 366.259 3.197 20 10 FGCDRO c1cnnc(N2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000093149971 494836084 /nfs/dbraw/zinc/83/60/84/494836084.db2.gz XRKQYOUEKQTQSJ-UHFFFAOYSA-N 1 0 351.498 3.179 20 10 FGCDRO COc1cccc(NC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000093358216 494877001 /nfs/dbraw/zinc/87/70/01/494877001.db2.gz UALIFJBBXIYONT-UHFFFAOYSA-N 1 0 356.422 3.206 20 10 FGCDRO Cn1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000123414000 495128556 /nfs/dbraw/zinc/12/85/56/495128556.db2.gz ILOMRDWITUBTNZ-UHFFFAOYSA-N 1 0 353.388 3.170 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000185472917 495590823 /nfs/dbraw/zinc/59/08/23/495590823.db2.gz AUVPTIZINMCYNY-GUXCAODWSA-N 1 0 355.482 3.357 20 10 FGCDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000154392131 495602159 /nfs/dbraw/zinc/60/21/59/495602159.db2.gz YJRMARVCHJVRCT-UHFFFAOYSA-N 1 0 356.514 3.127 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000182672245 495658432 /nfs/dbraw/zinc/65/84/32/495658432.db2.gz YOICLCSYVKMNPR-INIZCTEOSA-N 1 0 358.869 3.492 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000179986141 495811401 /nfs/dbraw/zinc/81/14/01/495811401.db2.gz QMMQVUJVCZGCBI-YLJYHZDGSA-N 1 0 360.498 3.250 20 10 FGCDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2=O)cc1 ZINC000186050351 495836538 /nfs/dbraw/zinc/83/65/38/495836538.db2.gz PAAKYGJWIWKPBV-KXBFYZLASA-N 1 0 354.450 3.161 20 10 FGCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151534521 495870322 /nfs/dbraw/zinc/87/03/22/495870322.db2.gz KGVATVRVKVZYLN-IBGZPJMESA-N 1 0 372.484 3.134 20 10 FGCDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186164370 495879656 /nfs/dbraw/zinc/87/96/56/495879656.db2.gz LFQBREOWPUBDLR-LSDHHAIUSA-N 1 0 363.479 3.304 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000155270938 495899221 /nfs/dbraw/zinc/89/92/21/495899221.db2.gz OPYNYMFJENMBDD-KDOFPFPSSA-N 1 0 362.495 3.444 20 10 FGCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000180606284 496064831 /nfs/dbraw/zinc/06/48/31/496064831.db2.gz PGGIJMXCOOZCFX-VFADXPBXSA-N 1 0 358.463 3.126 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1O ZINC000186959591 496229643 /nfs/dbraw/zinc/22/96/43/496229643.db2.gz ADTBNNVPASUTAC-NSHDSACASA-N 1 0 367.243 3.137 20 10 FGCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187307595 496386253 /nfs/dbraw/zinc/38/62/53/496386253.db2.gz FYONBAULTKPBQZ-AAEUAGOBSA-N 1 0 355.276 3.125 20 10 FGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000181563367 496447427 /nfs/dbraw/zinc/44/74/27/496447427.db2.gz WCEJEIMSZJOJJY-NJYVYQBISA-N 1 0 358.526 3.189 20 10 FGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000181562583 496447749 /nfs/dbraw/zinc/44/77/49/496447749.db2.gz FSYFYOYPLMSONB-AHRSYUTCSA-N 1 0 362.489 3.080 20 10 FGCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000184675848 496488791 /nfs/dbraw/zinc/48/87/91/496488791.db2.gz WTGGNIQEYXSOPL-CYBMUJFWSA-N 1 0 372.856 3.477 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3([NH3+])CCCCC3)ccc21 ZINC000571935789 505849469 /nfs/dbraw/zinc/84/94/69/505849469.db2.gz PWTFYYXQTJOWEV-UHFFFAOYSA-N 1 0 357.498 3.296 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178665231 496532596 /nfs/dbraw/zinc/53/25/96/496532596.db2.gz QTWHILFGSXXYBB-JKSUJKDBSA-N 1 0 368.481 3.426 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)c1 ZINC000157725567 496539204 /nfs/dbraw/zinc/53/92/04/496539204.db2.gz SEJNALUJXZCXPN-CYBMUJFWSA-N 1 0 350.413 3.341 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000187722453 496546550 /nfs/dbraw/zinc/54/65/50/496546550.db2.gz ZPXICJMOWZXGQR-KEYYUXOJSA-N 1 0 356.457 3.458 20 10 FGCDRO C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1[O-] ZINC000187798543 496576242 /nfs/dbraw/zinc/57/62/42/496576242.db2.gz OOGWCWZAYQQBQT-JLZZUVOBSA-N 1 0 354.441 3.089 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000185057957 496640778 /nfs/dbraw/zinc/64/07/78/496640778.db2.gz CVSDAUCFSSTXFI-HNNXBMFYSA-N 1 0 352.438 3.449 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)ccc1O ZINC000185118490 496668307 /nfs/dbraw/zinc/66/83/07/496668307.db2.gz DTJDPEBBHXVKTL-CYBMUJFWSA-N 1 0 362.420 3.482 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000182313247 496729221 /nfs/dbraw/zinc/72/92/21/496729221.db2.gz XMHVHVATNXFXQD-LBPRGKRZSA-N 1 0 369.870 3.179 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(OC)c(OC)c2OC)c1 ZINC000273601658 496850830 /nfs/dbraw/zinc/85/08/30/496850830.db2.gz RYURIVJTSRCJOS-CYBMUJFWSA-N 1 0 361.438 3.320 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000277978876 496958203 /nfs/dbraw/zinc/95/82/03/496958203.db2.gz TVUFMBSECKQYBK-UKRRQHHQSA-N 1 0 350.459 3.136 20 10 FGCDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000237009911 497180098 /nfs/dbraw/zinc/18/00/98/497180098.db2.gz CMSVZDDLKSDJIQ-OAHLLOKOSA-N 1 0 362.495 3.274 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1ccccc1O ZINC000274896968 497193681 /nfs/dbraw/zinc/19/36/81/497193681.db2.gz KKIBJOSHPJVGFE-FQEVSTJZSA-N 1 0 367.493 3.302 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000237513049 497249276 /nfs/dbraw/zinc/24/92/76/497249276.db2.gz GZENOCGFZSBKJR-UTKZUKDTSA-N 1 0 351.494 3.180 20 10 FGCDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccccc1O ZINC000237578605 497258595 /nfs/dbraw/zinc/25/85/95/497258595.db2.gz BATSOSAOWXICAE-MRXNPFEDSA-N 1 0 353.466 3.499 20 10 FGCDRO Cc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)c(C)n1-c1ccccc1 ZINC000237679522 497275231 /nfs/dbraw/zinc/27/52/31/497275231.db2.gz PSZSGWKINAZRMO-UHFFFAOYSA-N 1 0 355.482 3.064 20 10 FGCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000279120859 497340376 /nfs/dbraw/zinc/34/03/76/497340376.db2.gz QCUYUAWMVJAQSZ-SNVBAGLBSA-N 1 0 364.243 3.359 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271536672 497376204 /nfs/dbraw/zinc/37/62/04/497376204.db2.gz XTPMUZHZYOJCHJ-AUUYWEPGSA-N 1 0 362.420 3.186 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)c1 ZINC000271754079 497439398 /nfs/dbraw/zinc/43/93/98/497439398.db2.gz WNMYKYLXZXXGTE-UHFFFAOYSA-N 1 0 373.449 3.461 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2F)CC1 ZINC000193991204 497541823 /nfs/dbraw/zinc/54/18/23/497541823.db2.gz IXDRMKIMEZITHR-JRGCBEDISA-N 1 0 374.500 3.224 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1O ZINC000364256832 497864527 /nfs/dbraw/zinc/86/45/27/497864527.db2.gz AWYRDVRQZHBFDA-QGZVFWFLSA-N 1 0 358.438 3.357 20 10 FGCDRO CC[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc2C1)c1ccccc1O ZINC000364367920 497924637 /nfs/dbraw/zinc/92/46/37/497924637.db2.gz YPMWCQQFGZYKSY-GOSISDBHSA-N 1 0 354.450 3.244 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)ccc21 ZINC000292299278 497960219 /nfs/dbraw/zinc/96/02/19/497960219.db2.gz RXHYPLBZKBMMMB-QFIPXVFZSA-N 1 0 369.509 3.072 20 10 FGCDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1Cl ZINC000296258970 497973225 /nfs/dbraw/zinc/97/32/25/497973225.db2.gz BPPUCUKYZDEBDR-CQSZACIVSA-N 1 0 351.855 3.226 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc2ccccc2c1O ZINC000360167315 498252838 /nfs/dbraw/zinc/25/28/38/498252838.db2.gz ZQGQSZCUOPAAPU-IFXJQAMLSA-N 1 0 351.450 3.462 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000360521050 498281318 /nfs/dbraw/zinc/28/13/18/498281318.db2.gz SCXAVWRZUXLBRN-OAQYLSRUSA-N 1 0 358.457 3.469 20 10 FGCDRO COc1cccc(CC(=O)N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)c1 ZINC000360699542 498300555 /nfs/dbraw/zinc/30/05/55/498300555.db2.gz PIMOKMSMHCPJPZ-INIZCTEOSA-N 1 0 368.477 3.285 20 10 FGCDRO CCc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(C)n1 ZINC000302117942 498410501 /nfs/dbraw/zinc/41/05/01/498410501.db2.gz WXXZTIHNNGOGFZ-UHFFFAOYSA-N 1 0 365.525 3.492 20 10 FGCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000293630103 498433049 /nfs/dbraw/zinc/43/30/49/498433049.db2.gz QYXMQYYEBIPVSV-UHFFFAOYSA-N 1 0 358.457 3.333 20 10 FGCDRO COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000290178956 498454008 /nfs/dbraw/zinc/45/40/08/498454008.db2.gz NJBHDOMXRRGJHS-YCRPNKLZSA-N 1 0 359.466 3.362 20 10 FGCDRO O=C(NC1CC[NH+](Cc2cc(Br)ccc2O)CC1)C1CCC1 ZINC000362099520 498464173 /nfs/dbraw/zinc/46/41/73/498464173.db2.gz QOIOHMPGPKZAJQ-UHFFFAOYSA-N 1 0 367.287 3.035 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2F)CC1 ZINC000282392904 498493106 /nfs/dbraw/zinc/49/31/06/498493106.db2.gz XODPLPNRBWTYCD-FQEVSTJZSA-N 1 0 362.489 3.226 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287061922 498613247 /nfs/dbraw/zinc/61/32/47/498613247.db2.gz NOLJRQNWJAOPHQ-JKSUJKDBSA-N 1 0 368.518 3.291 20 10 FGCDRO Cc1n[nH]cc1C[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363381785 498791978 /nfs/dbraw/zinc/79/19/78/498791978.db2.gz KMSJWGPVPMQHNX-CYBMUJFWSA-N 1 0 354.376 3.233 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000287721603 498846682 /nfs/dbraw/zinc/84/66/82/498846682.db2.gz SNWLOECKFOGMRY-YOFSQIOKSA-N 1 0 358.530 3.299 20 10 FGCDRO CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287764745 498858780 /nfs/dbraw/zinc/85/87/80/498858780.db2.gz XTPWHTFYMJEFEE-YOFSQIOKSA-N 1 0 356.514 3.053 20 10 FGCDRO Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1O ZINC000366305162 498866255 /nfs/dbraw/zinc/86/62/55/498866255.db2.gz PVLSRQZQIRHDAC-ROUUACIJSA-N 1 0 366.461 3.000 20 10 FGCDRO COc1ccc([C@H](O)C2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000291267158 498869523 /nfs/dbraw/zinc/86/95/23/498869523.db2.gz NLNDCFOLNBYQTI-NRFANRHFSA-N 1 0 357.450 3.355 20 10 FGCDRO CC(C)(C)[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366348971 498886744 /nfs/dbraw/zinc/88/67/44/498886744.db2.gz TXPIUGPOIUKDDG-OAHLLOKOSA-N 1 0 373.419 3.044 20 10 FGCDRO CC[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)[S@]1=O ZINC000295163485 498930147 /nfs/dbraw/zinc/93/01/47/498930147.db2.gz HHWSSXYDWVEYGU-CQSIOLINSA-N 1 0 364.555 3.033 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c(O)c1C ZINC000363860957 499029940 /nfs/dbraw/zinc/02/99/40/499029940.db2.gz VXMWMMSPONPHCQ-ABSDTBQOSA-N 1 0 356.514 3.476 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)Cc3cn4ccccc4n3)CC2)cc1 ZINC000369815624 499133021 /nfs/dbraw/zinc/13/30/21/499133021.db2.gz CQILRVVNFNAZPV-UHFFFAOYSA-N 1 0 350.466 3.444 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000369910978 499150761 /nfs/dbraw/zinc/15/07/61/499150761.db2.gz WPORSPUQHLUPFA-VRHCTWJESA-N 1 0 360.479 3.475 20 10 FGCDRO Cc1cnn(C)c1C[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000367212311 499162221 /nfs/dbraw/zinc/16/22/21/499162221.db2.gz PZVJFCFRBPBXKI-UHFFFAOYSA-N 1 0 368.403 3.386 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000367547716 499211115 /nfs/dbraw/zinc/21/11/15/499211115.db2.gz ZWIJQDJUDFAHQG-BEFAXECRSA-N 1 0 360.479 3.304 20 10 FGCDRO Cc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(C)n1-c1ccccn1 ZINC000371229423 499300068 /nfs/dbraw/zinc/30/00/68/499300068.db2.gz JBIDITQKQWFIHC-LJQANCHMSA-N 1 0 352.482 3.093 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCCN(Cc3nccn3CC)CC2)c(O)c1 ZINC000371414708 499323062 /nfs/dbraw/zinc/32/30/62/499323062.db2.gz LAOCPXCUKDPMNW-UHFFFAOYSA-N 1 0 372.513 3.105 20 10 FGCDRO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3cc(Cl)cn3C)CC2)c1 ZINC000371417882 499324101 /nfs/dbraw/zinc/32/41/01/499324101.db2.gz YWJFTJQWKIMRES-UHFFFAOYSA-N 1 0 361.873 3.041 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000369104977 499365854 /nfs/dbraw/zinc/36/58/54/499365854.db2.gz OEPDQBLQVCZVFG-FPOVZHCZSA-N 1 0 370.541 3.349 20 10 FGCDRO COc1ccc(O)c([C@H](C)N[C@@H](c2nnc(C)n2C)c2ccccc2)c1 ZINC000371876641 499374394 /nfs/dbraw/zinc/37/43/94/499374394.db2.gz OAEUITTYCXQZPT-ORAYPTAESA-N 1 0 352.438 3.278 20 10 FGCDRO Cc1ccnc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000371894476 499376192 /nfs/dbraw/zinc/37/61/92/499376192.db2.gz QYVUAGMCSIPVBP-UHFFFAOYSA-N 1 0 352.482 3.001 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)cc1 ZINC000373248567 499459836 /nfs/dbraw/zinc/45/98/36/499459836.db2.gz YIZUXSWQFLJTAO-UHFFFAOYSA-N 1 0 352.526 3.287 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C1CC(N3CCC(C(F)(F)F)CC3)C1)OCO2 ZINC000373486180 499472773 /nfs/dbraw/zinc/47/27/73/499472773.db2.gz RAWXSYHXKDAJTO-UHFFFAOYSA-N 1 0 372.387 3.016 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000378332295 499502351 /nfs/dbraw/zinc/50/23/51/499502351.db2.gz HUKUBRDDUUIBMP-INIZCTEOSA-N 1 0 369.465 3.345 20 10 FGCDRO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000376168357 499588289 /nfs/dbraw/zinc/58/82/89/499588289.db2.gz ULSLAOSPZRUMMI-OAHLLOKOSA-N 1 0 371.485 3.253 20 10 FGCDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000376212581 499591546 /nfs/dbraw/zinc/59/15/46/499591546.db2.gz UURUKNTWTWDQFT-JKSUJKDBSA-N 1 0 367.287 3.130 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2N(C)C)cc1OC ZINC000376484364 499611740 /nfs/dbraw/zinc/61/17/40/499611740.db2.gz MFBGOQPPUXZOND-UWJYYQICSA-N 1 0 356.466 3.117 20 10 FGCDRO COc1cc(Br)cc(CNCc2noc3c2CCCC3)c1O ZINC000377409821 499688065 /nfs/dbraw/zinc/68/80/65/499688065.db2.gz VWGVQKMFGKNCGP-UHFFFAOYSA-N 1 0 367.243 3.320 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@H]2C2CC2)C1 ZINC000431165833 500344694 /nfs/dbraw/zinc/34/46/94/500344694.db2.gz HJGLDRBWGLFWRJ-PKOBYXMFSA-N 1 0 351.494 3.323 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C(F)F)CC2)C1 ZINC000500300158 503599135 /nfs/dbraw/zinc/59/91/35/503599135.db2.gz USFFARYOCZJJPX-UHFFFAOYSA-N 1 0 361.436 3.322 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@@H](F)C2)C1 ZINC000557953271 505270864 /nfs/dbraw/zinc/27/08/64/505270864.db2.gz YUCFWEFMYMCRCW-HZPDHXFCSA-N 1 0 357.473 3.415 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cn[nH]c2)C1 ZINC000564283532 505371216 /nfs/dbraw/zinc/37/12/16/505371216.db2.gz RALUSPXICRDPPX-OAHLLOKOSA-N 1 0 365.481 3.008 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137166 598275036 /nfs/dbraw/zinc/27/50/36/598275036.db2.gz VZRVNUWUWNTMAK-JTQLQIEISA-N 1 0 374.242 3.186 20 10 FGCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)ccc21 ZINC000826033965 608507378 /nfs/dbraw/zinc/50/73/78/608507378.db2.gz MHWWHGYUYSMHCK-HXUWFJFHSA-N 1 0 374.492 3.416 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826268537 608512879 /nfs/dbraw/zinc/51/28/79/608512879.db2.gz BSNLSIUYJMYOAA-HXUWFJFHSA-N 1 0 362.481 3.408 20 10 FGCDRO CCOc1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1O ZINC000825649285 608533199 /nfs/dbraw/zinc/53/31/99/608533199.db2.gz NUSHZAFZGNPDJS-UHFFFAOYSA-N 1 0 367.453 3.382 20 10 FGCDRO COc1cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c(O)cc1C ZINC000826179685 608546461 /nfs/dbraw/zinc/54/64/61/608546461.db2.gz ZKIZAILZBDMGJU-UHFFFAOYSA-N 1 0 367.453 3.300 20 10 FGCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000113343500 700570853 /nfs/dbraw/zinc/57/08/53/700570853.db2.gz SZIDTJIMOVQKNB-CYBMUJFWSA-N 1 0 371.275 3.254 20 10 FGCDRO COc1ccc([C@@H](C[NH2+]Cc2c(O)cccc2Cl)N(C)C)cc1OC ZINC000113313402 700571034 /nfs/dbraw/zinc/57/10/34/700571034.db2.gz AATFEWRKVJECFG-MRXNPFEDSA-N 1 0 364.873 3.455 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134542512 704824386 /nfs/dbraw/zinc/82/43/86/704824386.db2.gz PHTGBFFWSSIEQU-MRXNPFEDSA-N 1 0 355.276 3.035 20 10 FGCDRO O=C(NCCCSc1nccs1)NC1CC[NH+](C2CCCC2)CC1 ZINC000154291182 705029031 /nfs/dbraw/zinc/02/90/31/705029031.db2.gz QHCDEMNWCCKXGI-UHFFFAOYSA-N 1 0 368.572 3.332 20 10 FGCDRO COc1cc(C)cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000164202939 705326043 /nfs/dbraw/zinc/32/60/43/705326043.db2.gz HJSGYYFNOBCKEQ-UHFFFAOYSA-N 1 0 360.479 3.165 20 10 FGCDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000177919812 705645851 /nfs/dbraw/zinc/64/58/51/705645851.db2.gz BKFMYNJOEAIUGB-ZDUSSCGKSA-N 1 0 364.383 3.282 20 10 FGCDRO CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Br)ccc1O ZINC000192910499 712877506 /nfs/dbraw/zinc/87/75/06/712877506.db2.gz DDOUYMMTVVUGOT-OAHLLOKOSA-N 1 0 371.319 3.306 20 10 FGCDRO CCS(=O)(=O)NCC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000237051318 713587363 /nfs/dbraw/zinc/58/73/63/713587363.db2.gz FQPPDWDZTNBHIY-UHFFFAOYSA-N 1 0 370.559 3.016 20 10 FGCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000237636558 713594704 /nfs/dbraw/zinc/59/47/04/713594704.db2.gz ZAMJILRXPVYKQX-GFCCVEGCSA-N 1 0 364.287 3.276 20 10 FGCDRO Cc1nnc(N2CCC([NH2+]Cc3ccc(N4CCCC4)cc3)CC2)s1 ZINC000374680794 713938880 /nfs/dbraw/zinc/93/88/80/713938880.db2.gz RVZFOWRKHRSWCJ-UHFFFAOYSA-N 1 0 357.527 3.205 20 10 FGCDRO COCCN(CC[NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000385547560 713983842 /nfs/dbraw/zinc/98/38/42/713983842.db2.gz OOJLGHSERKMPSG-ZDUSSCGKSA-N 1 0 356.438 3.065 20 10 FGCDRO COCCN(CC[NH2+][C@H](C)c1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000385547559 713983910 /nfs/dbraw/zinc/98/39/10/713983910.db2.gz OOJLGHSERKMPSG-CYBMUJFWSA-N 1 0 356.438 3.065 20 10 FGCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000779059780 724385719 /nfs/dbraw/zinc/38/57/19/724385719.db2.gz WFOMEICFVMQMFZ-UHFFFAOYSA-N 1 0 368.202 3.355 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(N2CCOCC2)cc1Cl ZINC000779089597 724389213 /nfs/dbraw/zinc/38/92/13/724389213.db2.gz UAXGIEBELYNESS-YZVOILCLSA-N 1 0 352.906 3.378 20 10 FGCDRO COCCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000802652081 724397429 /nfs/dbraw/zinc/39/74/29/724397429.db2.gz KQHUUTWOYLVCNP-HNNXBMFYSA-N 1 0 358.276 3.091 20 10 FGCDRO CCOc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c(O)c1 ZINC000779191171 724398909 /nfs/dbraw/zinc/39/89/09/724398909.db2.gz ZVKIXXIUBQEHRH-UHFFFAOYSA-N 1 0 363.845 3.278 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCCOC1 ZINC000780714329 724493963 /nfs/dbraw/zinc/49/39/63/724493963.db2.gz SBJRYOFUAGRHSA-KONPQCLYSA-N 1 0 350.478 3.344 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOC1 ZINC000780723209 724495579 /nfs/dbraw/zinc/49/55/79/724495579.db2.gz HEKPIJVQCZIJSN-DAYGRLMNSA-N 1 0 352.906 3.415 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000782547280 724681594 /nfs/dbraw/zinc/68/15/94/724681594.db2.gz PAGBEOFMDFCQGV-KGLIPLIRSA-N 1 0 350.459 3.326 20 10 FGCDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(Br)cc(C)c2O)C1(C)C ZINC000783724343 724782294 /nfs/dbraw/zinc/78/22/94/724782294.db2.gz VEYNPLQEFRXEMA-PBHICJAKSA-N 1 0 372.303 3.119 20 10 FGCDRO COc1ccc(O)c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)c1 ZINC000711087926 722413849 /nfs/dbraw/zinc/41/38/49/722413849.db2.gz OHLVPJVEPHKUCH-UHFFFAOYSA-N 1 0 350.459 3.328 20 10 FGCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C1=CC(=O)CS1 ZINC000731870002 722478746 /nfs/dbraw/zinc/47/87/46/722478746.db2.gz GYZMGTDJKFNZPG-UHFFFAOYSA-N 1 0 357.479 3.238 20 10 FGCDRO CCc1cccc(NC(=O)C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000732230384 722482852 /nfs/dbraw/zinc/48/28/52/722482852.db2.gz HMBFJUVDARCUFO-UHFFFAOYSA-N 1 0 363.255 3.445 20 10 FGCDRO CN(C)c1ccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000734866990 722510766 /nfs/dbraw/zinc/51/07/66/722510766.db2.gz IOFQQESZWNEAOY-QGZVFWFLSA-N 1 0 352.498 3.057 20 10 FGCDRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000740006407 722534691 /nfs/dbraw/zinc/53/46/91/722534691.db2.gz MIHOVHFOLYYTLN-APWZRJJASA-N 1 0 360.885 3.018 20 10 FGCDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2O)[C@H]1c1cccs1 ZINC000745790203 722590461 /nfs/dbraw/zinc/59/04/61/722590461.db2.gz VWPMBXZVARCIKD-YJBOKZPZSA-N 1 0 359.495 3.336 20 10 FGCDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2O)[C@H]1c1cccs1 ZINC000745790202 722590502 /nfs/dbraw/zinc/59/05/02/722590502.db2.gz VWPMBXZVARCIKD-QAPCUYQASA-N 1 0 359.495 3.336 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000751509762 722811226 /nfs/dbraw/zinc/81/12/26/722811226.db2.gz NXBRQYUEXVHSRG-UHFFFAOYSA-N 1 0 352.906 3.418 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000753731310 722910873 /nfs/dbraw/zinc/91/08/73/722910873.db2.gz NBSPJBIIZYIZEK-APWZRJJASA-N 1 0 350.528 3.295 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000753731314 722910902 /nfs/dbraw/zinc/91/09/02/722910902.db2.gz NBSPJBIIZYIZEK-LPHOPBHVSA-N 1 0 350.528 3.295 20 10 FGCDRO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1cc(Br)ccc1O ZINC000756364000 722963422 /nfs/dbraw/zinc/96/34/22/722963422.db2.gz RDQPLTDFNVQZIK-LLVKDONJSA-N 1 0 361.243 3.091 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000756492981 722965550 /nfs/dbraw/zinc/96/55/50/722965550.db2.gz BJCGCMPWZGLWKX-NWDGAFQWSA-N 1 0 352.431 3.315 20 10 FGCDRO C[C@H]([NH2+]CCOc1ncccc1F)c1cc(Br)ccc1O ZINC000756761102 722969729 /nfs/dbraw/zinc/96/97/29/722969729.db2.gz QANYZQIADIYXSK-JTQLQIEISA-N 1 0 355.207 3.418 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(Br)ccc1O ZINC000756788557 722970132 /nfs/dbraw/zinc/97/01/32/722970132.db2.gz WGLCVBARYANDRF-WCQYABFASA-N 1 0 356.260 3.491 20 10 FGCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCSc2nccs2)C1 ZINC000759569105 723009330 /nfs/dbraw/zinc/00/93/30/723009330.db2.gz IMOLUBIBVDKULE-AWEZNQCLSA-N 1 0 370.588 3.435 20 10 FGCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000760886012 723101536 /nfs/dbraw/zinc/10/15/36/723101536.db2.gz NNODQBQSCKVCRM-GDIGMMSISA-N 1 0 368.905 3.021 20 10 FGCDRO COC1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCCC1 ZINC000790949487 723198233 /nfs/dbraw/zinc/19/82/33/723198233.db2.gz SMEYJTCQZAUFKZ-HZPDHXFCSA-N 1 0 350.478 3.488 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c(C(F)(F)F)c1 ZINC000793010562 723392531 /nfs/dbraw/zinc/39/25/31/723392531.db2.gz DEGRROQZJPBXSK-ZDUSSCGKSA-N 1 0 356.388 3.305 20 10 FGCDRO CN(C)c1ccc(CNc2ccn(CC[NH+](C)C)n2)c(C(F)(F)F)c1 ZINC000793011980 723392535 /nfs/dbraw/zinc/39/25/35/723392535.db2.gz ZQBGOXCZZJHIAX-UHFFFAOYSA-N 1 0 355.408 3.142 20 10 FGCDRO CCOc1ccc(C[NH2+]CCCCn2cc(Br)cn2)c(O)c1 ZINC000793207838 723411282 /nfs/dbraw/zinc/41/12/82/723411282.db2.gz SIBNVILTTTWNQP-UHFFFAOYSA-N 1 0 368.275 3.320 20 10 FGCDRO C[C@@H](NCCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764667302 723435926 /nfs/dbraw/zinc/43/59/26/723435926.db2.gz QTBCZTXKGKOFMB-MRXNPFEDSA-N 1 0 351.922 3.313 20 10 FGCDRO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000793700526 723462002 /nfs/dbraw/zinc/46/20/02/723462002.db2.gz SJPJUQDUCAPLIY-CYBMUJFWSA-N 1 0 359.447 3.158 20 10 FGCDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000765981619 723549925 /nfs/dbraw/zinc/54/99/25/723549925.db2.gz YEPLLVLPDNCUJY-KRWDZBQOSA-N 1 0 358.507 3.081 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000765994726 723550521 /nfs/dbraw/zinc/55/05/21/723550521.db2.gz RFEFINIBBFBEDE-RDTXWAMCSA-N 1 0 352.906 3.415 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1 ZINC000796147485 723623689 /nfs/dbraw/zinc/62/36/89/723623689.db2.gz WTDZMWAXAAZMEO-OAHLLOKOSA-N 1 0 357.420 3.033 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(OC)ccc2O)c(Br)c1 ZINC000796305944 723631841 /nfs/dbraw/zinc/63/18/41/723631841.db2.gz ASBJGUNGBPSMDK-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO CCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768182309 723649727 /nfs/dbraw/zinc/64/97/27/723649727.db2.gz YTLQIDQEBVKJLM-LJQANCHMSA-N 1 0 359.491 3.458 20 10 FGCDRO CCCC[N@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000768443055 723657677 /nfs/dbraw/zinc/65/76/77/723657677.db2.gz YDIPCVFPQPNEFT-SFHVURJKSA-N 1 0 351.512 3.060 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000768650961 723664285 /nfs/dbraw/zinc/66/42/85/723664285.db2.gz HUJTUFXFIKCLOF-UYAOXDASSA-N 1 0 357.885 3.468 20 10 FGCDRO O=C(CC[C@H]1CCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911107 723671953 /nfs/dbraw/zinc/67/19/53/723671953.db2.gz CAFIDTZJKMFKMY-DLBZAZTESA-N 1 0 366.889 3.085 20 10 FGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000768940138 723672727 /nfs/dbraw/zinc/67/27/27/723672727.db2.gz HLUOSBFZFHBFLB-LBPRGKRZSA-N 1 0 350.260 3.268 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000769289308 723681517 /nfs/dbraw/zinc/68/15/17/723681517.db2.gz DHMDXAFAAMWTMI-OAHLLOKOSA-N 1 0 369.303 3.378 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000770285206 723710309 /nfs/dbraw/zinc/71/03/09/723710309.db2.gz DSUOVGVUKUVWDA-BXUZGUMPSA-N 1 0 356.260 3.164 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNc3nnc(CC(F)(F)F)s3)cc2)CC1 ZINC000771756754 723741763 /nfs/dbraw/zinc/74/17/63/723741763.db2.gz KBYRSHNJGPQAGC-UHFFFAOYSA-N 1 0 371.432 3.007 20 10 FGCDRO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773045315 723775273 /nfs/dbraw/zinc/77/52/73/723775273.db2.gz QNWQCHFFCSNDTP-KXBFYZLASA-N 1 0 350.478 3.254 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(F)CCCC1 ZINC000773408696 723784160 /nfs/dbraw/zinc/78/41/60/723784160.db2.gz URACGSHSYKDGEG-OAHLLOKOSA-N 1 0 354.853 3.409 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000775022860 723953039 /nfs/dbraw/zinc/95/30/39/723953039.db2.gz HHLBLCZGTIPEBW-UHFFFAOYSA-N 1 0 353.304 3.427 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cc(Br)ccc1O ZINC000775526925 723998221 /nfs/dbraw/zinc/99/82/21/723998221.db2.gz ODOBWNXWBVRITF-JSGCOSHPSA-N 1 0 355.276 3.205 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1cc(Br)ccc1O ZINC000775526964 723998335 /nfs/dbraw/zinc/99/83/35/723998335.db2.gz UNJMUEKKKZWHTN-FPMFFAJLSA-N 1 0 355.276 3.110 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(Cl)ccc1O ZINC000775527555 723998396 /nfs/dbraw/zinc/99/83/96/723998396.db2.gz RAPYHCFKXSJXJT-LSDHHAIUSA-N 1 0 362.861 3.015 20 10 FGCDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)ccc1O ZINC000775551466 723999887 /nfs/dbraw/zinc/99/98/87/723999887.db2.gz NIOUJRHUMDGHBA-MRXNPFEDSA-N 1 0 374.934 3.148 20 10 FGCDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000799335081 724013060 /nfs/dbraw/zinc/01/30/60/724013060.db2.gz NJDSMHPYUKVUQT-GFCCVEGCSA-N 1 0 354.376 3.116 20 10 FGCDRO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775833215 724069400 /nfs/dbraw/zinc/06/94/00/724069400.db2.gz ILGAEZVFJBNJSX-CYBMUJFWSA-N 1 0 361.515 3.092 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c1O ZINC000776498818 724151556 /nfs/dbraw/zinc/15/15/56/724151556.db2.gz PZAJJPRMFOVWRH-TZTCFGBESA-N 1 0 358.276 3.312 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CC(C3CCOCC3)C2)c1O ZINC000800529484 724209515 /nfs/dbraw/zinc/20/95/15/724209515.db2.gz AKGCJOQSLQJGEN-UHFFFAOYSA-N 1 0 356.260 3.022 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NCCC[NH+](C)C)cc2Cl)C1 ZINC000800697216 724222302 /nfs/dbraw/zinc/22/23/02/724222302.db2.gz MKMWIVCRIINZLK-OAHLLOKOSA-N 1 0 366.937 3.327 20 10 FGCDRO C[NH+](C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000802379829 724379875 /nfs/dbraw/zinc/37/98/75/724379875.db2.gz VETDIPLDNYHMKZ-WJXUGBSRSA-N 1 0 360.841 3.184 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000784680381 724872090 /nfs/dbraw/zinc/87/20/90/724872090.db2.gz PWNXYDDUXBFREA-MRXNPFEDSA-N 1 0 350.256 3.238 20 10 FGCDRO COC(=O)[C@H]1[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769357 725038075 /nfs/dbraw/zinc/03/80/75/725038075.db2.gz DUTUVNNFWPBBGH-DLBZAZTESA-N 1 0 352.425 3.163 20 10 FGCDRO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000788618846 725076619 /nfs/dbraw/zinc/07/66/19/725076619.db2.gz KRGREAKFVQCICG-DZKIICNBSA-N 1 0 358.276 3.389 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000806138289 725117490 /nfs/dbraw/zinc/11/74/90/725117490.db2.gz YDPDBSMEHBKEBG-PBHICJAKSA-N 1 0 358.404 3.364 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)ccc1O ZINC000806179519 725119800 /nfs/dbraw/zinc/11/98/00/725119800.db2.gz SOHSGZYHZRUNDN-XJKSGUPXSA-N 1 0 365.271 3.367 20 10 FGCDRO CSC1(C[NH2+]Cc2cccc(Br)c2[O-])CC[NH+](C)CC1 ZINC000810170229 725294335 /nfs/dbraw/zinc/29/43/35/725294335.db2.gz IOYBIIUPMGFHIV-UHFFFAOYSA-N 1 0 359.333 3.072 20 10 FGCDRO Cn1ncc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cl ZINC000815121289 727041026 /nfs/dbraw/zinc/04/10/26/727041026.db2.gz JEZQMJCQCCQWOC-UHFFFAOYSA-N 1 0 370.831 3.434 20 10 FGCDRO O=S(=O)(CC[NH2+]Cc1ccc2ccccc2c1O)Cc1ccccc1 ZINC000816542968 727173437 /nfs/dbraw/zinc/17/34/37/727173437.db2.gz JEZQRZJRXLNMOG-UHFFFAOYSA-N 1 0 355.459 3.250 20 10 FGCDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1=O ZINC000817589233 727268880 /nfs/dbraw/zinc/26/88/80/727268880.db2.gz MIAVHCGKZVVADA-NWDGAFQWSA-N 1 0 355.276 3.064 20 10 FGCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817931309 727288336 /nfs/dbraw/zinc/28/83/36/727288336.db2.gz QLHHPAOOTQHRJJ-RYRKJORJSA-N 1 0 365.949 3.433 20 10 FGCDRO COCCc1nc(C)c([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817941376 727289031 /nfs/dbraw/zinc/28/90/31/727289031.db2.gz JPDQBNGDFHYXLP-DYVFJYSZSA-N 1 0 362.543 3.057 20 10 FGCDRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817947417 727289286 /nfs/dbraw/zinc/28/92/86/727289286.db2.gz NEQGMYZCVAUYET-HRCADAONSA-N 1 0 351.922 3.215 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000817963986 727289785 /nfs/dbraw/zinc/28/97/85/727289785.db2.gz ZXGLYSJXBQGCIZ-JGVFFNPUSA-N 1 0 366.097 3.163 20 10 FGCDRO CSc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+](C)C)cc1 ZINC000819341747 727369215 /nfs/dbraw/zinc/36/92/15/727369215.db2.gz LPFSWNSUPDLMKI-INIZCTEOSA-N 1 0 360.479 3.161 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000823423411 729279359 /nfs/dbraw/zinc/27/93/59/729279359.db2.gz IAWJKTPFMJVBLD-SFHVURJKSA-N 1 0 355.507 3.191 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000823476685 729283764 /nfs/dbraw/zinc/28/37/64/729283764.db2.gz AOGJSYDMHSUSLV-KRWDZBQOSA-N 1 0 357.523 3.472 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCC(OCCO)CC2)cc1 ZINC000823477198 729283916 /nfs/dbraw/zinc/28/39/16/729283916.db2.gz MLUYVOWDLUPAJQ-UHFFFAOYSA-N 1 0 360.523 3.358 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H](C)O1 ZINC000823666757 729297371 /nfs/dbraw/zinc/29/73/71/729297371.db2.gz RAFLYLILQMAHJS-IIYDPXPESA-N 1 0 358.404 3.198 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CN(C)CCO1 ZINC000824011925 729315722 /nfs/dbraw/zinc/31/57/22/729315722.db2.gz HOPPKWNTFJZTMP-UZLBHIALSA-N 1 0 359.539 3.193 20 10 FGCDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000824799973 729359483 /nfs/dbraw/zinc/35/94/83/729359483.db2.gz SEOZFZLMJPNOFC-YLJYHZDGSA-N 1 0 350.478 3.203 20 10 FGCDRO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1n1ccnc1 ZINC000824928047 729365437 /nfs/dbraw/zinc/36/54/37/729365437.db2.gz TUZNZTWQMLHUMK-DOMZBBRYSA-N 1 0 350.260 3.434 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000825204712 729374428 /nfs/dbraw/zinc/37/44/28/729374428.db2.gz LVPVEDRHSINSOL-UHFFFAOYSA-N 1 0 364.165 3.203 20 10 FGCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000825275291 729376598 /nfs/dbraw/zinc/37/65/98/729376598.db2.gz FRVYBZDFYZMTAS-UHFFFAOYSA-N 1 0 360.329 3.205 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000825358373 729380261 /nfs/dbraw/zinc/38/02/61/729380261.db2.gz QWAFVVDUKNECIS-CYBMUJFWSA-N 1 0 366.234 3.057 20 10 FGCDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000825412406 729382284 /nfs/dbraw/zinc/38/22/84/729382284.db2.gz JLAGEYBLDDRNNQ-QGZVFWFLSA-N 1 0 366.230 3.387 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000825685651 729391481 /nfs/dbraw/zinc/39/14/81/729391481.db2.gz ICULYXFJKBJHEA-KRWDZBQOSA-N 1 0 362.832 3.384 20 10 FGCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(Br)cc1O)CCCC2 ZINC000825955102 729400855 /nfs/dbraw/zinc/40/08/55/729400855.db2.gz GCTJCSBDOZMRFF-UHFFFAOYSA-N 1 0 350.260 3.057 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1O ZINC000827538330 729431580 /nfs/dbraw/zinc/43/15/80/729431580.db2.gz ONXJQVIQBBJQCW-IAGOWNOFSA-N 1 0 350.890 3.087 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSc2ccccc2Cl)cc1 ZINC000832286355 729702494 /nfs/dbraw/zinc/70/24/94/729702494.db2.gz YHSFYGIRIGYBTF-INIZCTEOSA-N 1 0 363.914 3.314 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000834798453 729834949 /nfs/dbraw/zinc/83/49/49/729834949.db2.gz GIGCYQWHIIJXLH-NTZNESFSSA-N 1 0 360.483 3.046 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000834836106 729838049 /nfs/dbraw/zinc/83/80/49/729838049.db2.gz LJRFVLJYELZVHE-LPXQKFACSA-N 1 0 355.475 3.273 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(Br)ccc1O ZINC000834851023 729838898 /nfs/dbraw/zinc/83/88/98/729838898.db2.gz SEAIHIOGVNDTFV-HOCLYGCPSA-N 1 0 371.319 3.042 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(Cl)ccc1O ZINC000834910481 729845729 /nfs/dbraw/zinc/84/57/29/729845729.db2.gz HVRSAFINRLKFGM-JSGCOSHPSA-N 1 0 370.877 3.332 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(Cl)ccc1O ZINC000834910480 729845893 /nfs/dbraw/zinc/84/58/93/729845893.db2.gz HVRSAFINRLKFGM-GXTWGEPZSA-N 1 0 370.877 3.332 20 10 FGCDRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Br)cc1O ZINC000840877086 730186910 /nfs/dbraw/zinc/18/69/10/730186910.db2.gz SPLLIVUTBYWYIK-SNVBAGLBSA-N 1 0 364.305 3.019 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)ccc1O ZINC000840886987 730188362 /nfs/dbraw/zinc/18/83/62/730188362.db2.gz QFTJQZVAPSMQCX-DYLAAIIWSA-N 1 0 350.203 3.354 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Br)cc1O ZINC000840886674 730188490 /nfs/dbraw/zinc/18/84/90/730188490.db2.gz LPRHMPFCVDNBKE-KDDOJWQBSA-N 1 0 350.203 3.354 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000840895679 730188954 /nfs/dbraw/zinc/18/89/54/730188954.db2.gz RPJCHGDROWNUMV-HRCADAONSA-N 1 0 352.906 3.378 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000840928266 730192755 /nfs/dbraw/zinc/19/27/55/730192755.db2.gz MZUVYEGRDGIJPL-LJQANCHMSA-N 1 0 359.539 3.286 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c(Cl)c1 ZINC000840937810 730194132 /nfs/dbraw/zinc/19/41/32/730194132.db2.gz YEYADEBPZVYDLJ-UHFFFAOYSA-N 1 0 359.857 3.143 20 10 FGCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000840959777 730197690 /nfs/dbraw/zinc/19/76/90/730197690.db2.gz UXGSKAPESHWCEN-MRXNPFEDSA-N 1 0 366.255 3.329 20 10 FGCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000840974873 730199856 /nfs/dbraw/zinc/19/98/56/730199856.db2.gz PIVCGXFHOFJTKT-OAHLLOKOSA-N 1 0 367.287 3.132 20 10 FGCDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1 ZINC000840975118 730200085 /nfs/dbraw/zinc/20/00/85/730200085.db2.gz KUFRVELODBLNAD-UHFFFAOYSA-N 1 0 359.491 3.364 20 10 FGCDRO [NH3+]C[C@H](NCc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841029579 730204748 /nfs/dbraw/zinc/20/47/48/730204748.db2.gz WMNSYZQBNJJPSK-INIZCTEOSA-N 1 0 352.320 3.266 20 10 FGCDRO COc1ccc(C[NH2+]CCc2ccc(N)cc2)c(Br)c1O ZINC000841035939 730205078 /nfs/dbraw/zinc/20/50/78/730205078.db2.gz QPNTUSVCZZKQNI-UHFFFAOYSA-N 1 0 351.244 3.078 20 10 FGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841743158 730269939 /nfs/dbraw/zinc/26/99/39/730269939.db2.gz DJKDBCUVKXFOSQ-GTNSWQLSSA-N 1 0 351.830 3.447 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(Cl)cc1O ZINC000841757654 730271282 /nfs/dbraw/zinc/27/12/82/730271282.db2.gz OGXFGKJRAOECGV-OCCSQVGLSA-N 1 0 370.877 3.332 20 10 FGCDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n(C)n1 ZINC000841865548 730281645 /nfs/dbraw/zinc/28/16/45/730281645.db2.gz TVPQYNRIQLHWTC-AWEZNQCLSA-N 1 0 350.413 3.089 20 10 FGCDRO CCn1cncc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841859701 730281744 /nfs/dbraw/zinc/28/17/44/730281744.db2.gz HSRYFLSCXLXOAP-UHFFFAOYSA-N 1 0 350.413 3.263 20 10 FGCDRO CNC(=O)[C@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccc(F)cc1C ZINC000842722635 730535698 /nfs/dbraw/zinc/53/56/98/730535698.db2.gz QYYPEFSNJNERND-AWEZNQCLSA-N 1 0 364.848 3.188 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c(C(F)(F)F)c1 ZINC000842758938 730540523 /nfs/dbraw/zinc/54/05/23/730540523.db2.gz NORCJZZNKQJCOT-QGZVFWFLSA-N 1 0 360.420 3.039 20 10 FGCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000843046391 730573750 /nfs/dbraw/zinc/57/37/50/730573750.db2.gz TZMMXGXEWKLVMK-MRXNPFEDSA-N 1 0 353.304 3.427 20 10 FGCDRO [NH3+]C[C@H]1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843048254 730573868 /nfs/dbraw/zinc/57/38/68/730573868.db2.gz GWVXQRGWDZMYQG-OAHLLOKOSA-N 1 0 352.320 3.220 20 10 FGCDRO CC[NH+](CC)CCCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000844170872 730690296 /nfs/dbraw/zinc/69/02/96/730690296.db2.gz SLOUWNLBXJLNNZ-UHFFFAOYSA-N 1 0 360.527 3.168 20 10 FGCDRO C[NH+](C)Cc1cc(CNC(=O)NCc2cc(Cl)ccc2O)ccc1F ZINC000844988741 730798870 /nfs/dbraw/zinc/79/88/70/730798870.db2.gz XMKSQXPDQHDKIN-UHFFFAOYSA-N 1 0 365.836 3.246 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Br)c(C)nn2C)c1 ZINC000845970814 730913491 /nfs/dbraw/zinc/91/34/91/730913491.db2.gz CHCOOTDWRBSFIM-SECBINFHSA-N 1 0 354.248 3.056 20 10 FGCDRO COc1cc(C[NH2+]Cc2cc(Cl)ccc2O)c([N+](=O)[O-])cc1OC ZINC000846057215 730924335 /nfs/dbraw/zinc/92/43/35/730924335.db2.gz FFHUCNARBAGETD-UHFFFAOYSA-N 1 0 352.774 3.261 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[C@H](C)SC3)CC2)cc1 ZINC000848516179 731173699 /nfs/dbraw/zinc/17/36/99/731173699.db2.gz AKWOIUGKNHJNGE-ZWKOTPCHSA-N 1 0 363.571 3.081 20 10 FGCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[C@H](C)SC3)CC2)cc1 ZINC000848516178 731173845 /nfs/dbraw/zinc/17/38/45/731173845.db2.gz AKWOIUGKNHJNGE-ROUUACIJSA-N 1 0 363.571 3.081 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000848517938 731174330 /nfs/dbraw/zinc/17/43/30/731174330.db2.gz HSJTVKPCSWGYSM-WDEREUQCSA-N 1 0 354.248 3.099 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1O ZINC000848520403 731174872 /nfs/dbraw/zinc/17/48/72/731174872.db2.gz ITJQGCINGSUJAN-HZMBPMFUSA-N 1 0 357.292 3.154 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000848525982 731175162 /nfs/dbraw/zinc/17/51/62/731175162.db2.gz SSQYXPYXPAFFHW-NXEZZACHSA-N 1 0 373.291 3.117 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccncc2)c1O ZINC000848533586 731176857 /nfs/dbraw/zinc/17/68/57/731176857.db2.gz SVVYGPGOUMXVMS-NSHDSACASA-N 1 0 351.244 3.452 20 10 FGCDRO CCn1ccnc1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848554654 731181058 /nfs/dbraw/zinc/18/10/58/731181058.db2.gz YSYCHOZUUYTNIU-JTQLQIEISA-N 1 0 354.248 3.231 20 10 FGCDRO CCc1cccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1O ZINC000848907961 731219474 /nfs/dbraw/zinc/21/94/74/731219474.db2.gz VWGAAWQWGMITOK-CYBMUJFWSA-N 1 0 353.384 3.313 20 10 FGCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000850135472 731324098 /nfs/dbraw/zinc/32/40/98/731324098.db2.gz LWJQCUVCNDFLLV-HKUYNNGSSA-N 1 0 364.555 3.370 20 10 FGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850356885 731347727 /nfs/dbraw/zinc/34/77/27/731347727.db2.gz SHDMCUZTROEBMO-ROYPQONJSA-N 1 0 353.528 3.478 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000850501805 731365626 /nfs/dbraw/zinc/36/56/26/731365626.db2.gz POEGAZANGXGQKZ-CAVOSLQRSA-N 1 0 372.303 3.371 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)ccc1O ZINC000850559036 731373057 /nfs/dbraw/zinc/37/30/57/731373057.db2.gz WDXZEUXEZOWQSV-RYUDHWBXSA-N 1 0 369.303 3.452 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)cc2)CC1 ZINC000850568022 731374225 /nfs/dbraw/zinc/37/42/25/731374225.db2.gz NZXAMAQFHRLHJW-QRVBRYPASA-N 1 0 364.580 3.117 20 10 FGCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)cc1 ZINC000852338099 731572454 /nfs/dbraw/zinc/57/24/54/731572454.db2.gz LEJGUEJKLVJNIN-CABCVRRESA-N 1 0 358.404 3.316 20 10 FGCDRO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000853238436 731686046 /nfs/dbraw/zinc/68/60/46/731686046.db2.gz IXMYIJLMNAWXJY-LFDOHDQPSA-N 1 0 350.478 3.254 20 10 FGCDRO CCn1nccc1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000853239530 731686693 /nfs/dbraw/zinc/68/66/93/731686693.db2.gz HLSZKKDHMSOLTD-JTQLQIEISA-N 1 0 354.248 3.231 20 10 FGCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858148699 732186028 /nfs/dbraw/zinc/18/60/28/732186028.db2.gz HUUBSOQODDAMSE-JGRMJRGVSA-N 1 0 360.317 3.324 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000858156546 732186991 /nfs/dbraw/zinc/18/69/91/732186991.db2.gz YBJMDECMYJKSSE-LBPRGKRZSA-N 1 0 356.260 3.320 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1O ZINC000858548310 732226101 /nfs/dbraw/zinc/22/61/01/732226101.db2.gz ULMGLCKAZCSPDJ-MRCXROJRSA-N 1 0 356.260 3.381 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858602524 732230547 /nfs/dbraw/zinc/23/05/47/732230547.db2.gz AWBMREGVISKLCS-ABAIWWIYSA-N 1 0 367.287 3.267 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000862477045 732839363 /nfs/dbraw/zinc/83/93/63/732839363.db2.gz DQSSZUVKYSFFOL-UHFFFAOYSA-N 1 0 356.457 3.108 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(O)c(C(C)(C)C)c1 ZINC000862526816 732843298 /nfs/dbraw/zinc/84/32/98/732843298.db2.gz FBMBNBPLXFYOSH-YPCHGGDPSA-N 1 0 351.512 3.184 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1O ZINC000863559806 732977010 /nfs/dbraw/zinc/97/70/10/732977010.db2.gz VSGDMUUIFQMXMC-BONVTDFDSA-N 1 0 364.795 3.350 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC000865463376 733205829 /nfs/dbraw/zinc/20/58/29/733205829.db2.gz IXWMAJWUEQNIST-LBPRGKRZSA-N 1 0 360.401 3.039 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000865720869 733259771 /nfs/dbraw/zinc/25/97/71/733259771.db2.gz JWGCYHQUBBMXFL-UHFFFAOYSA-N 1 0 359.495 3.029 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2ccnn2C)c1O ZINC000866615530 733374866 /nfs/dbraw/zinc/37/48/66/733374866.db2.gz UYHBCMHJJYRGDK-VHSXEESVSA-N 1 0 354.248 3.309 20 10 FGCDRO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(Cl)c1[O-] ZINC000872118941 735591981 /nfs/dbraw/zinc/59/19/81/735591981.db2.gz LVFKBLDYZIBATH-XQERAMJGSA-N 1 0 357.903 3.442 20 10 FGCDRO CCOC1CC(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000876945343 736166341 /nfs/dbraw/zinc/16/63/41/736166341.db2.gz ANUPFSPKLYRXEN-RCDYEMGKSA-N 1 0 350.478 3.344 20 10 FGCDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(C)cc2O)CC1 ZINC000877547887 736682030 /nfs/dbraw/zinc/68/20/30/736682030.db2.gz NOIMEQAKIROZLW-UHFFFAOYSA-N 1 0 359.495 3.170 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000886324635 739243944 /nfs/dbraw/zinc/24/39/44/739243944.db2.gz AJGIXKHMSUKRDX-UHFFFAOYSA-N 1 0 351.441 3.056 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3sccc3Cl)cc2)CC1 ZINC000886325012 739243961 /nfs/dbraw/zinc/24/39/61/739243961.db2.gz PXTZMIUVVVIXAD-UHFFFAOYSA-N 1 0 363.914 3.393 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@H]1CCCOC1 ZINC000886789668 739299905 /nfs/dbraw/zinc/29/99/05/739299905.db2.gz ZNZDYUXRKVEFEY-HUBLWGQQSA-N 1 0 358.276 3.247 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C(F)(F)F)[NH+](C)C)cc1 ZINC000891246401 739886014 /nfs/dbraw/zinc/88/60/14/739886014.db2.gz CCYVPAKTCZAPNT-OAHLLOKOSA-N 1 0 359.436 3.450 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2scnc2C(F)F)[NH+](C)C)cc1 ZINC000891245547 739886104 /nfs/dbraw/zinc/88/61/04/739886104.db2.gz GILBJNWFDZLVQN-CYBMUJFWSA-N 1 0 368.453 3.179 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)c1ccc(N2CCOCC2)cc1 ZINC000892731776 740038449 /nfs/dbraw/zinc/03/84/49/740038449.db2.gz YEGRDXVWMLMRPH-JLJPHGGASA-N 1 0 353.304 3.347 20 10 FGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894357733 742272971 /nfs/dbraw/zinc/27/29/71/742272971.db2.gz YDBLAPZYONUSLT-INIZCTEOSA-N 1 0 363.479 3.051 20 10 FGCDRO COc1c([O-])c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000896226211 742517174 /nfs/dbraw/zinc/51/71/74/742517174.db2.gz DJJZRWUQUKGYNY-CYBMUJFWSA-N 1 0 364.295 3.175 20 10 FGCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)N(C)C)cc1 ZINC000898450131 742795768 /nfs/dbraw/zinc/79/57/68/742795768.db2.gz OEHWQMXMNYWDTI-HYVNUMGLSA-N 1 0 359.436 3.055 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000903375694 743842602 /nfs/dbraw/zinc/84/26/02/743842602.db2.gz RBOWOWHKGWUKOA-IHRRRGAJSA-N 1 0 350.459 3.355 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)c1O ZINC000903439602 743851959 /nfs/dbraw/zinc/85/19/59/743851959.db2.gz GGXPUAXTIHNOFI-CUOATXAZSA-N 1 0 356.260 3.239 20 10 FGCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000922338248 758895943 /nfs/dbraw/zinc/89/59/43/758895943.db2.gz IZAKTTKQTGGYAS-MJGOQNOKSA-N 1 0 361.555 3.152 20 10 FGCDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000779018240 724381430 /nfs/dbraw/zinc/38/14/30/724381430.db2.gz KSPRSZNEVDCQPS-CQSZACIVSA-N 1 0 360.420 3.183 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000779033793 724383382 /nfs/dbraw/zinc/38/33/82/724383382.db2.gz ZVGZBTJDTHKDNY-AAEUAGOBSA-N 1 0 355.276 3.123 20 10 FGCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000073721917 494418372 /nfs/dbraw/zinc/41/83/72/494418372.db2.gz KNCLKIZRVUHWPR-LJQANCHMSA-N 1 0 358.530 3.160 20 10 FGCDRO COc1cccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1O ZINC000092644537 494690711 /nfs/dbraw/zinc/69/07/11/494690711.db2.gz WMRDKIOSMBFLLP-UHFFFAOYSA-N 1 0 374.506 3.033 20 10 FGCDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000093400378 494886825 /nfs/dbraw/zinc/88/68/25/494886825.db2.gz RTDTUXPJQWYDET-INIZCTEOSA-N 1 0 365.481 3.034 20 10 FGCDRO COc1cc(Br)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000093597104 494902384 /nfs/dbraw/zinc/90/23/84/494902384.db2.gz PQGGPOBHOMNOAR-ZDUSSCGKSA-N 1 0 369.303 3.081 20 10 FGCDRO O=C1NCCCN1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093669041 494911044 /nfs/dbraw/zinc/91/10/44/494911044.db2.gz JYRRFKRYLXKERQ-UHFFFAOYSA-N 1 0 365.477 3.439 20 10 FGCDRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)CC1 ZINC000123136750 495086056 /nfs/dbraw/zinc/08/60/56/495086056.db2.gz QJJIXIKHOFOSSK-UHFFFAOYSA-N 1 0 361.505 3.362 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(OC)c3OC)CC2)cc1 ZINC000102432813 495136236 /nfs/dbraw/zinc/13/62/36/495136236.db2.gz YZOVJCBDMDIKPO-UHFFFAOYSA-N 1 0 356.466 3.471 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124191330 495248486 /nfs/dbraw/zinc/24/84/86/495248486.db2.gz LVYVEYMMCOTSOH-MRXNPFEDSA-N 1 0 370.497 3.488 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000129942405 495317804 /nfs/dbraw/zinc/31/78/04/495317804.db2.gz SBPUODRCKLKPRN-IBGZPJMESA-N 1 0 358.530 3.016 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105276125 495351944 /nfs/dbraw/zinc/35/19/44/495351944.db2.gz MZNBFMIRIMCKCE-LJQANCHMSA-N 1 0 360.546 3.405 20 10 FGCDRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000151061431 495726775 /nfs/dbraw/zinc/72/67/75/495726775.db2.gz SDQZVQUVCQCNHH-SFHVURJKSA-N 1 0 370.493 3.399 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179780764 495733060 /nfs/dbraw/zinc/73/30/60/495733060.db2.gz SJJIDRFBSIGQCY-HNNXBMFYSA-N 1 0 352.438 3.213 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000186020577 495824140 /nfs/dbraw/zinc/82/41/40/495824140.db2.gz SXMWEPXUHYBYKL-HNNXBMFYSA-N 1 0 354.450 3.374 20 10 FGCDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160118318 495888228 /nfs/dbraw/zinc/88/82/28/495888228.db2.gz CVRHOWXHXHHXOH-KUHUBIRLSA-N 1 0 364.486 3.282 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000183428564 495979248 /nfs/dbraw/zinc/97/92/48/495979248.db2.gz BFIDACRQIXTPOT-HUUCEWRRSA-N 1 0 354.450 3.461 20 10 FGCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183467717 495996808 /nfs/dbraw/zinc/99/68/08/495996808.db2.gz IKHSIRHXQSQBEQ-APWZRJJASA-N 1 0 368.477 3.057 20 10 FGCDRO C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180848299 496169347 /nfs/dbraw/zinc/16/93/47/496169347.db2.gz DLOKMMJPZIAAPW-GRWKNNQQSA-N 1 0 366.461 3.280 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000152663198 496218165 /nfs/dbraw/zinc/21/81/65/496218165.db2.gz CEEFMPQHNYQBFE-UHFFFAOYSA-N 1 0 363.465 3.035 20 10 FGCDRO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N2CCC(O)CC2)cc1 ZINC000152736853 496240752 /nfs/dbraw/zinc/24/07/52/496240752.db2.gz NUVCLJZAYGRUBK-KRWDZBQOSA-N 1 0 368.525 3.074 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCC2 ZINC000181563041 496447880 /nfs/dbraw/zinc/44/78/80/496447880.db2.gz XJSFBDUAYJQPIF-WOJBJXKFSA-N 1 0 362.489 3.224 20 10 FGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000181563401 496447917 /nfs/dbraw/zinc/44/79/17/496447917.db2.gz WCEJEIMSZJOJJY-HBMCJLEFSA-N 1 0 358.526 3.189 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000163140362 496472062 /nfs/dbraw/zinc/47/20/62/496472062.db2.gz WEMQIWJVOVGGAP-HNNXBMFYSA-N 1 0 371.447 3.138 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CN1C1CC1 ZINC000157746432 496544939 /nfs/dbraw/zinc/54/49/39/496544939.db2.gz YXMWRPBZQBRSJV-GOEBONIOSA-N 1 0 365.468 3.472 20 10 FGCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(Br)ccc1O ZINC000185061673 496642057 /nfs/dbraw/zinc/64/20/57/496642057.db2.gz VZXGRXSBNCAZMZ-GFCCVEGCSA-N 1 0 355.276 3.208 20 10 FGCDRO CN(C)c1ccc(CNCc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000273367047 496785831 /nfs/dbraw/zinc/78/58/31/496785831.db2.gz BWUBZWUSYMWGAW-UHFFFAOYSA-N 1 0 352.887 3.099 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000268806173 496791929 /nfs/dbraw/zinc/79/19/29/496791929.db2.gz MJXQXLSISGNELN-QGZVFWFLSA-N 1 0 367.493 3.076 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000273411849 496798100 /nfs/dbraw/zinc/79/81/00/496798100.db2.gz PVORXECRFAJPMB-CQSZACIVSA-N 1 0 374.506 3.493 20 10 FGCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000273599758 496849815 /nfs/dbraw/zinc/84/98/15/496849815.db2.gz RTLGWTFCVMIMKI-QGZVFWFLSA-N 1 0 367.493 3.220 20 10 FGCDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000273603175 496852042 /nfs/dbraw/zinc/85/20/42/496852042.db2.gz SMHXSRPKTCCHHU-FNBIGBAISA-N 1 0 355.276 3.253 20 10 FGCDRO Fc1ccc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cn1 ZINC000191677873 496852735 /nfs/dbraw/zinc/85/27/35/496852735.db2.gz DIJPOJVPYYRFOR-UHFFFAOYSA-N 1 0 371.456 3.101 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273610340 496853190 /nfs/dbraw/zinc/85/31/90/496853190.db2.gz VOGJJWPXZAYAQH-HUUCEWRRSA-N 1 0 362.495 3.329 20 10 FGCDRO COc1cc(Cl)cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000273736152 496889278 /nfs/dbraw/zinc/88/92/78/496889278.db2.gz LBJBVQZBHOHMQO-UHFFFAOYSA-N 1 0 360.841 3.318 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)c(O)c1 ZINC000264537059 496923151 /nfs/dbraw/zinc/92/31/51/496923151.db2.gz NAORYMBUKXKQAE-UHFFFAOYSA-N 1 0 352.438 3.111 20 10 FGCDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000269918913 497023971 /nfs/dbraw/zinc/02/39/71/497023971.db2.gz KELJIHISZXUKQO-IRLDBZIGSA-N 1 0 354.494 3.251 20 10 FGCDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(Br)ccc1O ZINC000274422375 497095190 /nfs/dbraw/zinc/09/51/90/497095190.db2.gz UHVGUXTVGOGBTG-JTQLQIEISA-N 1 0 368.300 3.350 20 10 FGCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000265842344 497192186 /nfs/dbraw/zinc/19/21/86/497192186.db2.gz GNVTUJMNGWQDJE-UHFFFAOYSA-N 1 0 350.821 3.311 20 10 FGCDRO COc1ccc([C@H]2[C@@H](CNC(=O)Cc3ccc(N)cc3)CCC[N@@H+]2C)cc1 ZINC000237380677 497228732 /nfs/dbraw/zinc/22/87/32/497228732.db2.gz MVRSLLICLAIDFE-GCJKJVERSA-N 1 0 367.493 3.019 20 10 FGCDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000237565046 497255464 /nfs/dbraw/zinc/25/54/64/497255464.db2.gz KQXSMSHHRIYFJH-UTKZUKDTSA-N 1 0 351.494 3.323 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278895004 497259013 /nfs/dbraw/zinc/25/90/13/497259013.db2.gz YVQPYOIXZZFCJX-QWHCGFSZSA-N 1 0 360.329 3.376 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1O ZINC000271134331 497270750 /nfs/dbraw/zinc/27/07/50/497270750.db2.gz BKBBFGFISQWEPK-UHFFFAOYSA-N 1 0 360.498 3.452 20 10 FGCDRO CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278935088 497272400 /nfs/dbraw/zinc/27/24/00/497272400.db2.gz WUXBTYLOLQBHIW-UHFFFAOYSA-N 1 0 373.453 3.441 20 10 FGCDRO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000193137620 497311708 /nfs/dbraw/zinc/31/17/08/497311708.db2.gz DHZNQJXGUNIKLC-MJGOQNOKSA-N 1 0 366.461 3.225 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000279570022 497474976 /nfs/dbraw/zinc/47/49/76/497474976.db2.gz SSIRACLFZMUJTI-OLZOCXBDSA-N 1 0 353.426 3.301 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245715688 497513872 /nfs/dbraw/zinc/51/38/72/497513872.db2.gz CTUMEXXLTHHVCX-AZUAARDMSA-N 1 0 356.514 3.212 20 10 FGCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000245754326 497529264 /nfs/dbraw/zinc/52/92/64/497529264.db2.gz UONNHKVMILJLHL-HDCIMXRVSA-N 1 0 358.482 3.224 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(C)cc1O ZINC000279957393 497602179 /nfs/dbraw/zinc/60/21/79/497602179.db2.gz CDNSYXGTXBSBMS-FQEVSTJZSA-N 1 0 368.477 3.414 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280288377 497709493 /nfs/dbraw/zinc/70/94/93/497709493.db2.gz NYBULJDUAUUELM-AWEZNQCLSA-N 1 0 357.328 3.123 20 10 FGCDRO O=C(NCc1ccccc1O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000263697274 497809347 /nfs/dbraw/zinc/80/93/47/497809347.db2.gz HSHGTDRONIWFBW-HNNXBMFYSA-N 1 0 359.495 3.165 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]Cc1nn(-c3ccccc3)c3c1CCC3)OCO2 ZINC000263720225 497810665 /nfs/dbraw/zinc/81/06/65/497810665.db2.gz VZXVPZOLSYSLPX-UHFFFAOYSA-N 1 0 363.417 3.085 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1O ZINC000284547684 497824695 /nfs/dbraw/zinc/82/46/95/497824695.db2.gz HEYAUPZKUUTYPU-DOTOQJQBSA-N 1 0 363.255 3.478 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@H]3CCc4cccc(O)c43)CC2)c1 ZINC000296288514 497985975 /nfs/dbraw/zinc/98/59/75/497985975.db2.gz FHXKACPJVVIRSE-KRWDZBQOSA-N 1 0 355.438 3.090 20 10 FGCDRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3cc(F)ccc3O)CC2)c1 ZINC000296352771 498008895 /nfs/dbraw/zinc/00/88/95/498008895.db2.gz IIOMRMONXMZEBG-CYBMUJFWSA-N 1 0 361.417 3.303 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000289373546 498124304 /nfs/dbraw/zinc/12/43/04/498124304.db2.gz BDBYDDUTPADTJJ-OAQYLSRUSA-N 1 0 359.441 3.357 20 10 FGCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1O ZINC000289489992 498167908 /nfs/dbraw/zinc/16/79/08/498167908.db2.gz RMKSRRVGKOSHKX-CQSZACIVSA-N 1 0 365.857 3.009 20 10 FGCDRO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(Br)cc1O ZINC000289652570 498232975 /nfs/dbraw/zinc/23/29/75/498232975.db2.gz GICMNLIPDUGPRT-LLVKDONJSA-N 1 0 350.260 3.467 20 10 FGCDRO CCc1ncnc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1F ZINC000301952968 498342997 /nfs/dbraw/zinc/34/29/97/498342997.db2.gz CNYVTMKIPWBTDA-UHFFFAOYSA-N 1 0 361.440 3.071 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1-c1ccccn1 ZINC000361170133 498354668 /nfs/dbraw/zinc/35/46/68/498354668.db2.gz UGMFNIXMUOSNKD-IBGZPJMESA-N 1 0 366.509 3.293 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000289932789 498358015 /nfs/dbraw/zinc/35/80/15/498358015.db2.gz XZGKFJZSRKMMSP-QGZVFWFLSA-N 1 0 366.255 3.161 20 10 FGCDRO CCCN(Cc1ccccc1O)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000365526326 498512764 /nfs/dbraw/zinc/51/27/64/498512764.db2.gz TXOVKKBSRILTDY-UHFFFAOYSA-N 1 0 367.493 3.438 20 10 FGCDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290390876 498534854 /nfs/dbraw/zinc/53/48/54/498534854.db2.gz SHBGIKMALIRRQV-OAHLLOKOSA-N 1 0 356.507 3.290 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291103148 498796223 /nfs/dbraw/zinc/79/62/23/498796223.db2.gz RREJXCVLIBVJDO-CQSZACIVSA-N 1 0 355.438 3.171 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000298549947 498811398 /nfs/dbraw/zinc/81/13/98/498811398.db2.gz UOKQMAMIRDAJQA-IYBDPMFKSA-N 1 0 361.505 3.156 20 10 FGCDRO Cc1cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)ccc1N(C)C ZINC000295133386 498920749 /nfs/dbraw/zinc/92/07/49/498920749.db2.gz LIVQWOADBYRTED-HXUWFJFHSA-N 1 0 368.525 3.191 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1cc2c(cc1O)CCCC2 ZINC000363868295 499031750 /nfs/dbraw/zinc/03/17/50/499031750.db2.gz RJBQTKINVQMKIT-HNAYVOBHSA-N 1 0 365.477 3.231 20 10 FGCDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000291807673 499074293 /nfs/dbraw/zinc/07/42/93/499074293.db2.gz COLKHHUNEVTOTG-NQIIRXRSSA-N 1 0 369.461 3.336 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000284353801 499094047 /nfs/dbraw/zinc/09/40/47/499094047.db2.gz MMTVUBQIWWCJJO-UHFFFAOYSA-N 1 0 354.498 3.243 20 10 FGCDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1O ZINC000367085842 499146829 /nfs/dbraw/zinc/14/68/29/499146829.db2.gz RNIDMSQSHCSWDX-LRDDRELGSA-N 1 0 360.841 3.336 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 ZINC000369900934 499148482 /nfs/dbraw/zinc/14/84/82/499148482.db2.gz DFPNBIOHPBTUNJ-NEPJUHHUSA-N 1 0 354.376 3.268 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000367319827 499180528 /nfs/dbraw/zinc/18/05/28/499180528.db2.gz XZADNSLAGNIRPR-NVXWUHKLSA-N 1 0 374.485 3.142 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367376460 499190987 /nfs/dbraw/zinc/19/09/87/499190987.db2.gz ATXLZXUNYYLGQS-XYJFISCASA-N 1 0 360.477 3.121 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000368329075 499285880 /nfs/dbraw/zinc/28/58/80/499285880.db2.gz CBXJFZSYPVEBFM-HNNXBMFYSA-N 1 0 354.450 3.362 20 10 FGCDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000368566514 499308221 /nfs/dbraw/zinc/30/82/21/499308221.db2.gz LIQNTAOQQGMASS-GOSISDBHSA-N 1 0 370.541 3.445 20 10 FGCDRO CCc1nc(CN2CCC[N@H+](Cc3cccc(OC)c3O)CC2)cs1 ZINC000371373990 499316875 /nfs/dbraw/zinc/31/68/75/499316875.db2.gz PCYSBCGJPWLVNJ-UHFFFAOYSA-N 1 0 361.511 3.128 20 10 FGCDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc2ccccc2c1O ZINC000371835112 499370279 /nfs/dbraw/zinc/37/02/79/499370279.db2.gz QEUBSMXXABUXNN-VGSWGCGISA-N 1 0 370.493 3.077 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]2CCCc3cnn(CCOC)c32)ccc1OC ZINC000371952242 499383734 /nfs/dbraw/zinc/38/37/34/499383734.db2.gz DMOLUBLEHQJUMA-IBGZPJMESA-N 1 0 373.497 3.242 20 10 FGCDRO CC[C@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1O ZINC000372234429 499411370 /nfs/dbraw/zinc/41/13/70/499411370.db2.gz YGCVFGVCSSCTEN-IBGZPJMESA-N 1 0 354.450 3.443 20 10 FGCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)no1 ZINC000373224823 499458493 /nfs/dbraw/zinc/45/84/93/499458493.db2.gz ZJBHNTCZRMZZRR-UHFFFAOYSA-N 1 0 363.845 3.045 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C)cc1O ZINC000375648946 499541278 /nfs/dbraw/zinc/54/12/78/499541278.db2.gz NLXMJYQRNXYVJM-QAPCUYQASA-N 1 0 353.466 3.119 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(C[S@](C)=O)cc3)CC2)cc1 ZINC000376129554 499585378 /nfs/dbraw/zinc/58/53/78/499585378.db2.gz LOMAKPSIJRKLJG-SANMLTNESA-N 1 0 372.534 3.332 20 10 FGCDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000376212580 499591519 /nfs/dbraw/zinc/59/15/19/499591519.db2.gz UURUKNTWTWDQFT-HZPDHXFCSA-N 1 0 367.287 3.130 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000376895195 499644217 /nfs/dbraw/zinc/64/42/17/499644217.db2.gz WAAAGDAKCBTSQO-CVEARBPZSA-N 1 0 353.466 3.119 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000377886715 499745539 /nfs/dbraw/zinc/74/55/39/499745539.db2.gz AGLCRHSQKUIPJJ-LBPRGKRZSA-N 1 0 350.260 3.186 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000576681292 506209601 /nfs/dbraw/zinc/20/96/01/506209601.db2.gz FKSWRUDXRFBUPU-HXUWFJFHSA-N 1 0 365.477 3.143 20 10 FGCDRO CCOCCN(CC)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435880492 501040824 /nfs/dbraw/zinc/04/08/24/501040824.db2.gz PAJNFGNQTQLIQG-UHFFFAOYSA-N 1 0 371.525 3.293 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474746892 501940833 /nfs/dbraw/zinc/94/08/33/501940833.db2.gz BFDXPOWVRSJIJK-UHFFFAOYSA-N 1 0 354.498 3.303 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000472226885 502276877 /nfs/dbraw/zinc/27/68/77/502276877.db2.gz XDQVZRJVHGHKMJ-QGZVFWFLSA-N 1 0 354.498 3.257 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000472229592 502278692 /nfs/dbraw/zinc/27/86/92/502278692.db2.gz MAWKKJYUFYETAP-QGZVFWFLSA-N 1 0 354.498 3.303 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000472234506 502279665 /nfs/dbraw/zinc/27/96/65/502279665.db2.gz RDHMVYFVOMCRQJ-KRWDZBQOSA-N 1 0 354.498 3.257 20 10 FGCDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000490035525 503095529 /nfs/dbraw/zinc/09/55/29/503095529.db2.gz ZJUZLKWUZLNOLK-OAHLLOKOSA-N 1 0 359.514 3.365 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1O ZINC000529683543 503654206 /nfs/dbraw/zinc/65/42/06/503654206.db2.gz ZPJALPDWZBKDEU-UHFFFAOYSA-N 1 0 369.303 3.201 20 10 FGCDRO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528147325 504090928 /nfs/dbraw/zinc/09/09/28/504090928.db2.gz LBNFCYPQRRUBIU-MRXNPFEDSA-N 1 0 351.878 3.252 20 10 FGCDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000528866612 504423389 /nfs/dbraw/zinc/42/33/89/504423389.db2.gz XBQYHKZRNDBGOT-RTBURBONSA-N 1 0 368.477 3.262 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1F ZINC000821197087 606418399 /nfs/dbraw/zinc/41/83/99/606418399.db2.gz FUGRNYGOMYBBOP-UHFFFAOYSA-N 1 0 360.462 3.203 20 10 FGCDRO COc1cc(C)cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1O ZINC000826178338 607846444 /nfs/dbraw/zinc/84/64/44/607846444.db2.gz TVXPVHBBERJHIN-UHFFFAOYSA-N 1 0 367.453 3.300 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000825395166 608286138 /nfs/dbraw/zinc/28/61/38/608286138.db2.gz LUMHJBYTSOWBKM-CQSZACIVSA-N 1 0 366.469 3.182 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824296851 608385278 /nfs/dbraw/zinc/38/52/78/608385278.db2.gz LAUXNPACYHAUOV-UHFFFAOYSA-N 1 0 368.460 3.482 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618660 609138392 /nfs/dbraw/zinc/13/83/92/609138392.db2.gz QQJQUYJSJOPFPO-CYBMUJFWSA-N 1 0 366.444 3.239 20 10 FGCDRO CC[N@H+](CC(=O)N[C@H](C)C(C)C)Cc1cc(Br)ccc1O ZINC000076118464 700224609 /nfs/dbraw/zinc/22/46/09/700224609.db2.gz WLSGFOWERJHNKJ-GFCCVEGCSA-N 1 0 357.292 3.137 20 10 FGCDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2nccs2)CC1 ZINC000077630027 700257849 /nfs/dbraw/zinc/25/78/49/700257849.db2.gz XKDPUXHIYVZXSX-UHFFFAOYSA-N 1 0 361.536 3.278 20 10 FGCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nccs3)CC2)cc1 ZINC000079446452 700299624 /nfs/dbraw/zinc/29/96/24/700299624.db2.gz RFHOGLMOEBXHMG-UHFFFAOYSA-N 1 0 361.536 3.278 20 10 FGCDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093692911 700453407 /nfs/dbraw/zinc/45/34/07/700453407.db2.gz WJULMBMTWNOSQO-CYBMUJFWSA-N 1 0 371.319 3.327 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCOc1ccc(Br)cc1)OCO2 ZINC000105461895 700501087 /nfs/dbraw/zinc/50/10/87/700501087.db2.gz PYTOLMQTBFIJJT-UHFFFAOYSA-N 1 0 366.211 3.052 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sccc3C)cc2F)CC1 ZINC000106702541 700509614 /nfs/dbraw/zinc/50/96/14/700509614.db2.gz GNKZVKBIQLFQRD-UHFFFAOYSA-N 1 0 361.486 3.268 20 10 FGCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123651076 700708035 /nfs/dbraw/zinc/70/80/35/700708035.db2.gz MAEBLNFXDZFGFK-PWSUYJOCSA-N 1 0 354.166 3.042 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000127155416 700758140 /nfs/dbraw/zinc/75/81/40/700758140.db2.gz XDRXFFPOINGECD-LSDHHAIUSA-N 1 0 356.507 3.290 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000131429051 700815200 /nfs/dbraw/zinc/81/52/00/700815200.db2.gz GCWQJJDBPLZCIP-CABCVRRESA-N 1 0 350.459 3.326 20 10 FGCDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000131850577 700820469 /nfs/dbraw/zinc/82/04/69/700820469.db2.gz YAFIESMHYFDPFG-WMZOPIPTSA-N 1 0 351.510 3.289 20 10 FGCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000152727517 704972373 /nfs/dbraw/zinc/97/23/73/704972373.db2.gz JNQHOOMYQZNZRF-UONOGXRCSA-N 1 0 356.561 3.045 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1O ZINC000170790717 705361471 /nfs/dbraw/zinc/36/14/71/705361471.db2.gz UNZJCBYMDIWARH-KRWDZBQOSA-N 1 0 355.356 3.331 20 10 FGCDRO Oc1ccccc1C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000179568395 705706081 /nfs/dbraw/zinc/70/60/81/705706081.db2.gz PVBNSZLKAFDAIF-UHFFFAOYSA-N 1 0 356.857 3.011 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000183251013 705884762 /nfs/dbraw/zinc/88/47/62/705884762.db2.gz FRSIOBKVYPJFDA-QGZVFWFLSA-N 1 0 360.523 3.485 20 10 FGCDRO COc1cccc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000189999298 712805407 /nfs/dbraw/zinc/80/54/07/712805407.db2.gz LPMPGYFFPCITKL-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000802652201 724397462 /nfs/dbraw/zinc/39/74/62/724397462.db2.gz PJIBEWRZOVMTCS-INIZCTEOSA-N 1 0 360.420 3.399 20 10 FGCDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(N(C)C)c(F)c1 ZINC000802653564 724397991 /nfs/dbraw/zinc/39/79/91/724397991.db2.gz YLBGJWOVOSHASN-UHFFFAOYSA-N 1 0 363.502 3.400 20 10 FGCDRO CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000780567736 724480490 /nfs/dbraw/zinc/48/04/90/724480490.db2.gz QMWBQOMPLXUEHJ-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO C[C@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000804738106 724548164 /nfs/dbraw/zinc/54/81/64/724548164.db2.gz CBKZZUIORDKYGU-IJLUTSLNSA-N 1 0 355.276 3.032 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[NH+](CC)CC)cc1F ZINC000731403477 722475094 /nfs/dbraw/zinc/47/50/94/722475094.db2.gz LQFYMCPYSGQBMO-HNNXBMFYSA-N 1 0 352.498 3.201 20 10 FGCDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1=CC(=O)CS1 ZINC000731866009 722478702 /nfs/dbraw/zinc/47/87/02/722478702.db2.gz DIYUOMUAAWKXKN-UHFFFAOYSA-N 1 0 358.467 3.398 20 10 FGCDRO COc1cccc(C[NH2+]Cc2ccccc2I)c1O ZINC000733900854 722502077 /nfs/dbraw/zinc/50/20/77/722502077.db2.gz MPRSJDJEGYWFPO-UHFFFAOYSA-N 1 0 369.202 3.295 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccccc3Cl)CC2)cc1 ZINC000742700645 722559140 /nfs/dbraw/zinc/55/91/40/722559140.db2.gz YYNFTNJFQDYCIL-UHFFFAOYSA-N 1 0 359.901 3.260 20 10 FGCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000749287418 722723209 /nfs/dbraw/zinc/72/32/09/722723209.db2.gz HRKFEVIDXLXWKT-UHFFFAOYSA-N 1 0 374.275 3.375 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000750046475 722752891 /nfs/dbraw/zinc/75/28/91/722752891.db2.gz ALNSGQUTHBMNBJ-AWEZNQCLSA-N 1 0 364.873 3.083 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403285 722964081 /nfs/dbraw/zinc/96/40/81/722964081.db2.gz XNXLXQONHUKQFG-WDEREUQCSA-N 1 0 357.267 3.429 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756469514 722965201 /nfs/dbraw/zinc/96/52/01/722965201.db2.gz JDEDQOITWLUQKG-ABAIWWIYSA-N 1 0 364.442 3.241 20 10 FGCDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccccc3O)nc12 ZINC000757963845 722982089 /nfs/dbraw/zinc/98/20/89/722982089.db2.gz LANZWIOGMNAFOX-UHFFFAOYSA-N 1 0 360.255 3.443 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCCCSc1nccs1)C1CCCCC1 ZINC000759552387 723008603 /nfs/dbraw/zinc/00/86/03/723008603.db2.gz ZMHIMSLZHHQFGW-HNNXBMFYSA-N 1 0 370.588 3.435 20 10 FGCDRO CC(C)(C)CC[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759589636 723010701 /nfs/dbraw/zinc/01/07/01/723010701.db2.gz CVOMWUVMBZXVLY-UHFFFAOYSA-N 1 0 370.588 3.389 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c1O ZINC000761205596 723132810 /nfs/dbraw/zinc/13/28/10/723132810.db2.gz GUVQHEFRWNYGHG-UHFFFAOYSA-N 1 0 356.894 3.033 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1O ZINC000761204904 723132855 /nfs/dbraw/zinc/13/28/55/723132855.db2.gz OVPNPDUWQMUPNO-CQSZACIVSA-N 1 0 353.768 3.189 20 10 FGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000761432259 723153518 /nfs/dbraw/zinc/15/35/18/723153518.db2.gz KQCPLBUJVSHHDI-XJKSGUPXSA-N 1 0 358.511 3.004 20 10 FGCDRO CC[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)c1cc(Br)ccc1O ZINC000761499573 723160385 /nfs/dbraw/zinc/16/03/85/723160385.db2.gz QFVIYHXBTGOVSM-CQSZACIVSA-N 1 0 371.275 3.426 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCN(C)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000792975913 723389176 /nfs/dbraw/zinc/38/91/76/723389176.db2.gz LXOPPSJKJGRMKK-UHFFFAOYSA-N 1 0 357.342 3.355 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCOC[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000792992586 723391037 /nfs/dbraw/zinc/39/10/37/723391037.db2.gz QCZSCCWEUIFGTL-CQSZACIVSA-N 1 0 360.420 3.304 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000793366096 723430866 /nfs/dbraw/zinc/43/08/66/723430866.db2.gz QKSSDBWQFZRLGA-FQEVSTJZSA-N 1 0 350.478 3.442 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)cc(OC)c2O)c(O)c1 ZINC000793385646 723432721 /nfs/dbraw/zinc/43/27/21/723432721.db2.gz DVLDQCQVYULIMD-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2Br)c(O)c1 ZINC000793386554 723432794 /nfs/dbraw/zinc/43/27/94/723432794.db2.gz WMBYUBBYOZUDAK-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)ccc1O ZINC000793565152 723449186 /nfs/dbraw/zinc/44/91/86/723449186.db2.gz BZWNORPDEGPGQW-INWMFGNUSA-N 1 0 374.319 3.353 20 10 FGCDRO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765073474 723475845 /nfs/dbraw/zinc/47/58/45/723475845.db2.gz KFWLFGHUOLPYLO-CVEARBPZSA-N 1 0 351.922 3.169 20 10 FGCDRO C[C@@H](C(=O)NCc1cccc(Br)c1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000765733200 723536188 /nfs/dbraw/zinc/53/61/88/723536188.db2.gz VGICGQTXXABITI-TUAOUCFPSA-N 1 0 355.276 3.032 20 10 FGCDRO O=C(NCc1cccc(Br)c1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000765747125 723537643 /nfs/dbraw/zinc/53/76/43/723537643.db2.gz MFBKODPQILUTNC-OAHLLOKOSA-N 1 0 367.287 3.178 20 10 FGCDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000765981620 723549955 /nfs/dbraw/zinc/54/99/55/723549955.db2.gz YEPLLVLPDNCUJY-QGZVFWFLSA-N 1 0 358.507 3.081 20 10 FGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765995757 723550594 /nfs/dbraw/zinc/55/05/94/723550594.db2.gz WXXMFTXLQIQPHC-RVKKMQEKSA-N 1 0 352.906 3.415 20 10 FGCDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000766136280 723558012 /nfs/dbraw/zinc/55/80/12/723558012.db2.gz CSMZQMARHJHABK-RDTXWAMCSA-N 1 0 364.873 3.462 20 10 FGCDRO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165402 723559102 /nfs/dbraw/zinc/55/91/02/723559102.db2.gz HQAPOVXFWNLTIJ-PMPSAXMXSA-N 1 0 351.922 3.310 20 10 FGCDRO COc1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766668327 723585841 /nfs/dbraw/zinc/58/58/41/723585841.db2.gz LGHJCZCMLIQGJJ-MRXNPFEDSA-N 1 0 369.527 3.097 20 10 FGCDRO Cc1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766671302 723585903 /nfs/dbraw/zinc/58/59/03/723585903.db2.gz SQIKFNOFUBEBQH-INIZCTEOSA-N 1 0 353.528 3.397 20 10 FGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1C ZINC000795654857 723604527 /nfs/dbraw/zinc/60/45/27/723604527.db2.gz FOVGBHVVACVNJQ-AWEZNQCLSA-N 1 0 358.404 3.290 20 10 FGCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000795687202 723605756 /nfs/dbraw/zinc/60/57/56/723605756.db2.gz JQUUOGUYONRUSB-KRWDZBQOSA-N 1 0 353.340 3.473 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1F ZINC000767426931 723618844 /nfs/dbraw/zinc/61/88/44/723618844.db2.gz WCVGUPDJLFFVPH-INIZCTEOSA-N 1 0 367.262 3.477 20 10 FGCDRO COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768466489 723658463 /nfs/dbraw/zinc/65/84/63/723658463.db2.gz QUKGHYUMTXKVMK-HNNXBMFYSA-N 1 0 350.459 3.150 20 10 FGCDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1c1ccc(Cl)cc1 ZINC000768652418 723664296 /nfs/dbraw/zinc/66/42/96/723664296.db2.gz PPTGJLCZYWMEBW-YLJYHZDGSA-N 1 0 356.853 3.337 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000769334041 723682763 /nfs/dbraw/zinc/68/27/63/723682763.db2.gz NHVGNDJUBMRWQD-OAHLLOKOSA-N 1 0 351.466 3.333 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769990616 723702556 /nfs/dbraw/zinc/70/25/56/723702556.db2.gz VKGBJXLVWIGBCQ-CXAGYDPISA-N 1 0 350.459 3.108 20 10 FGCDRO O=C(CCn1cccc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771069224 723727207 /nfs/dbraw/zinc/72/72/07/723727207.db2.gz XRMXXQVYUDGUCX-KRWDZBQOSA-N 1 0 361.873 3.018 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000773042819 723775129 /nfs/dbraw/zinc/77/51/29/723775129.db2.gz XCCWKQVAAIKBOW-HNNXBMFYSA-N 1 0 358.507 3.323 20 10 FGCDRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773625055 723806857 /nfs/dbraw/zinc/80/68/57/723806857.db2.gz PBPVHJMJQQHVRW-YOEHRIQHSA-N 1 0 360.527 3.477 20 10 FGCDRO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000774378583 723886517 /nfs/dbraw/zinc/88/65/17/723886517.db2.gz CQWODJGEJRPGBF-SNVBAGLBSA-N 1 0 365.699 3.037 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCc2sccc2C1 ZINC000774486628 723899295 /nfs/dbraw/zinc/89/92/95/723899295.db2.gz WNRQDOGCSOBLSH-LSDHHAIUSA-N 1 0 357.523 3.438 20 10 FGCDRO COc1c(O)c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775106443 723961421 /nfs/dbraw/zinc/96/14/21/723961421.db2.gz HGAAEHCNUVVMSW-UHFFFAOYSA-N 1 0 350.415 3.233 20 10 FGCDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775185754 723969233 /nfs/dbraw/zinc/96/92/33/723969233.db2.gz VSVZRDLUKPLZPT-IBGZPJMESA-N 1 0 351.443 3.107 20 10 FGCDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000775304634 723980729 /nfs/dbraw/zinc/98/07/29/723980729.db2.gz GLGIOKXAEYJCRL-PXNSSMCTSA-N 1 0 362.539 3.003 20 10 FGCDRO CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000775503447 723996905 /nfs/dbraw/zinc/99/69/05/723996905.db2.gz ISDVGEJCQVAYIS-SWLSCSKDSA-N 1 0 358.276 3.249 20 10 FGCDRO CC[C@H]([NH2+]CCNc1cnccn1)c1cc(Br)ccc1O ZINC000775513923 723997549 /nfs/dbraw/zinc/99/75/49/723997549.db2.gz OORPKYNAKZMFNR-ZDUSSCGKSA-N 1 0 351.248 3.098 20 10 FGCDRO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000799335781 724013468 /nfs/dbraw/zinc/01/34/68/724013468.db2.gz CXUHUAIIFZOGRJ-CQSZACIVSA-N 1 0 369.296 3.187 20 10 FGCDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000775664729 724019262 /nfs/dbraw/zinc/01/92/62/724019262.db2.gz UVBWZECXVHJPFK-HNNXBMFYSA-N 1 0 369.303 3.296 20 10 FGCDRO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000775667062 724019989 /nfs/dbraw/zinc/01/99/89/724019989.db2.gz DSMPELCLVJIPLN-UHFFFAOYSA-N 1 0 356.869 3.119 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(Cl)ccc1O ZINC000800503829 724204164 /nfs/dbraw/zinc/20/41/64/724204164.db2.gz GIUYWQGZADXRAP-CQSZACIVSA-N 1 0 367.898 3.354 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000784643248 724869623 /nfs/dbraw/zinc/86/96/23/724869623.db2.gz JAIHHNDAKSXMAD-NWDGAFQWSA-N 1 0 358.276 3.458 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(Br)nn2C)cc1F ZINC000785460332 724914181 /nfs/dbraw/zinc/91/41/81/724914181.db2.gz YFHLWNXGPBDPDX-UHFFFAOYSA-N 1 0 369.282 3.458 20 10 FGCDRO CC[N@H+](Cc1cc(Br)nn1C)Cc1ccc(N(C)C)cc1 ZINC000787051073 725015013 /nfs/dbraw/zinc/01/50/13/725015013.db2.gz HLSLTWHQVBMQHI-UHFFFAOYSA-N 1 0 351.292 3.271 20 10 FGCDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1OC ZINC000787331332 725025299 /nfs/dbraw/zinc/02/52/99/725025299.db2.gz HYGNBDJEUHCKNX-HNNXBMFYSA-N 1 0 355.793 3.025 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@]1(C)CCCO1 ZINC000788548865 725071996 /nfs/dbraw/zinc/07/19/96/725071996.db2.gz ULKSVSAPVHMRDE-NLDJYOPPSA-N 1 0 350.478 3.487 20 10 FGCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639629 725255021 /nfs/dbraw/zinc/25/50/21/725255021.db2.gz MOGNNCPAKBKYID-CRICUBBOSA-N 1 0 356.535 3.448 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000809713357 725261670 /nfs/dbraw/zinc/26/16/70/725261670.db2.gz NFQDGTRVBQJVQG-PWSUYJOCSA-N 1 0 354.166 3.354 20 10 FGCDRO OC[C@@]1(C[NH2+]Cc2cc(Br)ccc2O)C[C@@H]1c1ccccc1 ZINC000810165567 725294053 /nfs/dbraw/zinc/29/40/53/725294053.db2.gz WMTUCHXHZZJSJK-AEFFLSMTSA-N 1 0 362.267 3.411 20 10 FGCDRO CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810213096 725297142 /nfs/dbraw/zinc/29/71/42/725297142.db2.gz LPKANLQDBAYVIM-MRXNPFEDSA-N 1 0 360.420 3.299 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c(OC)n1 ZINC000810260179 725300489 /nfs/dbraw/zinc/30/04/89/725300489.db2.gz GRNXEDHPPRDGAC-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000811499239 725369717 /nfs/dbraw/zinc/36/97/17/725369717.db2.gz KUKPFSOATRPTQI-OAHLLOKOSA-N 1 0 352.475 3.430 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c1O ZINC000811507363 725370931 /nfs/dbraw/zinc/37/09/31/725370931.db2.gz ZMECZBBXDRUEMV-OAHLLOKOSA-N 1 0 352.475 3.430 20 10 FGCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811931757 725385146 /nfs/dbraw/zinc/38/51/46/725385146.db2.gz RPTBDSLSXQYZCC-LBPRGKRZSA-N 1 0 372.307 3.074 20 10 FGCDRO COC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812536056 725399699 /nfs/dbraw/zinc/39/96/99/725399699.db2.gz OXUAPZAJLGNUPS-VBQJREDUSA-N 1 0 368.905 3.045 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1O ZINC000812773865 726809265 /nfs/dbraw/zinc/80/92/65/726809265.db2.gz WXDCMCGOQSIFED-UHFFFAOYSA-N 1 0 364.287 3.365 20 10 FGCDRO Cc1cccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000814177614 726945142 /nfs/dbraw/zinc/94/51/42/726945142.db2.gz ILIQFBBYTIHRIL-OAHLLOKOSA-N 1 0 354.219 3.425 20 10 FGCDRO CCc1noc(C)c1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000815146536 727045497 /nfs/dbraw/zinc/04/54/97/727045497.db2.gz REOANQXRKHFECW-UHFFFAOYSA-N 1 0 355.232 3.312 20 10 FGCDRO C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815558914 727083993 /nfs/dbraw/zinc/08/39/93/727083993.db2.gz RPBALQWXVJRLBH-AWEZNQCLSA-N 1 0 359.436 3.089 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816549015 727174005 /nfs/dbraw/zinc/17/40/05/727174005.db2.gz AGMYOWGENFFYLI-GUYCJALGSA-N 1 0 358.885 3.411 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000816641834 727184138 /nfs/dbraw/zinc/18/41/38/727184138.db2.gz HOAMEZTYNIXFAC-GOSISDBHSA-N 1 0 358.869 3.287 20 10 FGCDRO Fc1cc(C[NH2+]C[C@@H]2CC23CCSCC3)ccc1N1CCOCC1 ZINC000817409772 727247953 /nfs/dbraw/zinc/24/79/53/727247953.db2.gz FRULQVWGVNWVQL-INIZCTEOSA-N 1 0 350.503 3.285 20 10 FGCDRO CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000817413723 727248893 /nfs/dbraw/zinc/24/88/93/727248893.db2.gz BTUFRXQBQYGASM-UHFFFAOYSA-N 1 0 369.912 3.177 20 10 FGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)CCOCC1 ZINC000817588146 727268667 /nfs/dbraw/zinc/26/86/67/727268667.db2.gz MBUHPJRULJYXFR-RYUDHWBXSA-N 1 0 358.276 3.389 20 10 FGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)CCOCC1 ZINC000817589584 727268796 /nfs/dbraw/zinc/26/87/96/727268796.db2.gz ZCFKFHIYLRYESM-NWDGAFQWSA-N 1 0 358.276 3.389 20 10 FGCDRO C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000817899394 727287504 /nfs/dbraw/zinc/28/75/04/727287504.db2.gz LMLVUBMZWHOHQS-RKVPGOIHSA-N 1 0 353.457 3.377 20 10 FGCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ncc(Br)s1 ZINC000817944109 727288922 /nfs/dbraw/zinc/28/89/22/727288922.db2.gz XIWZZUNOJAJFAZ-ZWNOBZJWSA-N 1 0 369.332 3.322 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1c(F)cccc1F ZINC000818963814 727331336 /nfs/dbraw/zinc/33/13/36/727331336.db2.gz AQESAYPEBRTUEP-SFHVURJKSA-N 1 0 364.461 3.341 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)cc1F ZINC000818984930 727334230 /nfs/dbraw/zinc/33/42/30/727334230.db2.gz JLBNNBFZGVKWCA-UHFFFAOYSA-N 1 0 351.372 3.288 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1F ZINC000818985387 727334446 /nfs/dbraw/zinc/33/44/46/727334446.db2.gz SMBDDRZCOZEXTL-INIZCTEOSA-N 1 0 366.864 3.212 20 10 FGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccc(Cl)cc3)C2)cc1 ZINC000819381547 727372274 /nfs/dbraw/zinc/37/22/74/727372274.db2.gz YMQSLXHDGYFHJX-YWZLYKJASA-N 1 0 360.885 3.498 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000823476686 729283824 /nfs/dbraw/zinc/28/38/24/729283824.db2.gz AOGJSYDMHSUSLV-QGZVFWFLSA-N 1 0 357.523 3.472 20 10 FGCDRO CC[N@H+](Cc1cnc2n1CCC2)Cc1cc(Br)ccc1O ZINC000824913351 729364772 /nfs/dbraw/zinc/36/47/72/729364772.db2.gz PPWVNYBUUWQAMY-UHFFFAOYSA-N 1 0 350.260 3.320 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1Cl ZINC000825120112 729371628 /nfs/dbraw/zinc/37/16/28/729371628.db2.gz HVXWLNGGNFRQES-UHFFFAOYSA-N 1 0 354.859 3.015 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000825124942 729372117 /nfs/dbraw/zinc/37/21/17/729372117.db2.gz BAZIMSYHYHAFGH-JTQLQIEISA-N 1 0 367.209 3.129 20 10 FGCDRO Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(C)n1-c1ccc(F)cc1 ZINC000825200262 729374333 /nfs/dbraw/zinc/37/43/33/729374333.db2.gz BYVNANKLEQPEAN-OAHLLOKOSA-N 1 0 357.351 3.243 20 10 FGCDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825277737 729376810 /nfs/dbraw/zinc/37/68/10/729376810.db2.gz FKOCBMOSKOXEAY-BLLLJJGKSA-N 1 0 350.256 3.409 20 10 FGCDRO COc1cc(CC[NH2+]Cc2ccc(Br)cc2O)ccc1O ZINC000825291958 729377341 /nfs/dbraw/zinc/37/73/41/729377341.db2.gz RHMZLBZQEXWSTG-UHFFFAOYSA-N 1 0 352.228 3.201 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]CCCOCC1CCOCC1 ZINC000825303919 729377836 /nfs/dbraw/zinc/37/78/36/729377836.db2.gz NJHMPCCHJGNKAQ-UHFFFAOYSA-N 1 0 358.276 3.078 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000825353616 729380140 /nfs/dbraw/zinc/38/01/40/729380140.db2.gz OIJDDLFBBFLVDT-HIFRSBDPSA-N 1 0 358.301 3.299 20 10 FGCDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000826902971 729418502 /nfs/dbraw/zinc/41/85/02/729418502.db2.gz NIBOFZUPRDNDOL-DAXOMENPSA-N 1 0 372.303 3.119 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000830557991 729571032 /nfs/dbraw/zinc/57/10/32/729571032.db2.gz HFLMNNCNTJEQLC-CYBMUJFWSA-N 1 0 366.889 3.362 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2scnc2C2CCCC2)cc1 ZINC000832284014 729702101 /nfs/dbraw/zinc/70/21/01/729702101.db2.gz GBFDRZDPSWYKEO-MRXNPFEDSA-N 1 0 358.511 3.297 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c(O)c1C ZINC000834839607 729838415 /nfs/dbraw/zinc/83/84/15/729838415.db2.gz BPGHCYBYHKGARP-ZDUSSCGKSA-N 1 0 365.271 3.284 20 10 FGCDRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(Br)cc1O ZINC000840877085 730186938 /nfs/dbraw/zinc/18/69/38/730186938.db2.gz SPLLIVUTBYWYIK-JTQLQIEISA-N 1 0 364.305 3.019 20 10 FGCDRO CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000840889650 730188636 /nfs/dbraw/zinc/18/86/36/730188636.db2.gz TZRDCZFNGMRFHE-ZDUSSCGKSA-N 1 0 353.406 3.277 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(Cl)c1 ZINC000840908787 730189985 /nfs/dbraw/zinc/18/99/85/730189985.db2.gz ZVYWRESWBWGUDV-INIZCTEOSA-N 1 0 358.869 3.492 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1O ZINC000840971267 730198924 /nfs/dbraw/zinc/19/89/24/730198924.db2.gz KSAWXGUIFSLTTK-YPMHNXCESA-N 1 0 350.203 3.101 20 10 FGCDRO Brc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1N1CCCCC1 ZINC000841026819 730204724 /nfs/dbraw/zinc/20/47/24/730204724.db2.gz QWVWTYRVHHNFDN-QAPCUYQASA-N 1 0 364.331 3.233 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccccc2OC(F)(F)F)cc1 ZINC000841042949 730205880 /nfs/dbraw/zinc/20/58/80/730205880.db2.gz NABAHNARHLSIJD-MRXNPFEDSA-N 1 0 353.388 3.441 20 10 FGCDRO [NH3+][C@H](CNCc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841051371 730206190 /nfs/dbraw/zinc/20/61/90/730206190.db2.gz QQANQDWDCFDJSG-MRXNPFEDSA-N 1 0 352.320 3.266 20 10 FGCDRO CNC(=O)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccc(F)cc1C ZINC000842722637 730535659 /nfs/dbraw/zinc/53/56/59/730535659.db2.gz QYYPEFSNJNERND-CQSZACIVSA-N 1 0 364.848 3.188 20 10 FGCDRO Cc1cc(Br)cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843045459 730573494 /nfs/dbraw/zinc/57/34/94/730573494.db2.gz RXZREAYQDXRRHC-BBRMVZONSA-N 1 0 353.304 3.427 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000843406339 730615905 /nfs/dbraw/zinc/61/59/05/730615905.db2.gz HIAIMMUDOXQPQL-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCN(C)C1 ZINC000843422686 730619469 /nfs/dbraw/zinc/61/94/69/730619469.db2.gz QBWXLGDLDSTGIB-CQSZACIVSA-N 1 0 357.292 3.079 20 10 FGCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000843433337 730620537 /nfs/dbraw/zinc/62/05/37/730620537.db2.gz XSMIYQCGFFOREF-KRWDZBQOSA-N 1 0 352.356 3.046 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CNc3ccccc3C2)c1O ZINC000844907813 730787910 /nfs/dbraw/zinc/78/79/10/730787910.db2.gz OCHOMVFRFNAWGI-AWEZNQCLSA-N 1 0 363.255 3.290 20 10 FGCDRO OC[C@]1(C[NH2+]Cc2cc(Br)ccc2O)CCc2ccccc21 ZINC000846010809 730918306 /nfs/dbraw/zinc/91/83/06/730918306.db2.gz JBAZGXOHFCOWSI-GOSISDBHSA-N 1 0 362.267 3.121 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000846100962 730928822 /nfs/dbraw/zinc/92/88/22/730928822.db2.gz WLJUYYYOWXBWMO-WATLYSKOSA-N 1 0 354.519 3.418 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1O ZINC000846138171 730931425 /nfs/dbraw/zinc/93/14/25/730931425.db2.gz UGYXZZXXQQAOLA-ZBFHGGJFSA-N 1 0 362.495 3.186 20 10 FGCDRO CCC(C)(C)[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000847336089 731047581 /nfs/dbraw/zinc/04/75/81/731047581.db2.gz NEGLHWSRBHCQNA-UHFFFAOYSA-N 1 0 356.561 3.141 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cccn2)c1O ZINC000848517511 731174290 /nfs/dbraw/zinc/17/42/90/731174290.db2.gz DZSSOELUNKFMQK-LLVKDONJSA-N 1 0 354.248 3.101 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000848548072 731179466 /nfs/dbraw/zinc/17/94/66/731179466.db2.gz ULLNFWSDQBXYFZ-JQWIXIFHSA-N 1 0 366.259 3.025 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)[C@@H]1CCCO1 ZINC000848549009 731179779 /nfs/dbraw/zinc/17/97/79/731179779.db2.gz IXSJAASBOPMAND-BPNCWPANSA-N 1 0 374.275 3.008 20 10 FGCDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C(F)(F)F ZINC000848596665 731186485 /nfs/dbraw/zinc/18/64/85/731186485.db2.gz ZVSDOWGVGQRXQF-OAHLLOKOSA-N 1 0 359.392 3.126 20 10 FGCDRO COc1cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850329150 731343343 /nfs/dbraw/zinc/34/33/43/731343343.db2.gz JWHYLRHSEKGGAP-AWEZNQCLSA-N 1 0 351.487 3.372 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCN(c3ccccc3Cl)C1)OCO2 ZINC000850344866 731344841 /nfs/dbraw/zinc/34/48/41/731344841.db2.gz ZOJFEYPUHDDHJC-CYBMUJFWSA-N 1 0 360.841 3.390 20 10 FGCDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850356884 731347634 /nfs/dbraw/zinc/34/76/34/731347634.db2.gz SHDMCUZTROEBMO-OZYPNJIESA-N 1 0 353.528 3.478 20 10 FGCDRO NC(=O)CC1(C[NH2+]Cc2cc(Br)ccc2O)CCCCC1 ZINC000850414399 731354099 /nfs/dbraw/zinc/35/40/99/731354099.db2.gz ZRKMTCUILJPQAE-UHFFFAOYSA-N 1 0 355.276 3.070 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(C)(C)C(F)F ZINC000850423751 731355442 /nfs/dbraw/zinc/35/54/42/731355442.db2.gz ASGFEXMPKNVHTL-UKRRQHHQSA-N 1 0 353.457 3.158 20 10 FGCDRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(Br)ccc1O ZINC000850498150 731365023 /nfs/dbraw/zinc/36/50/23/731365023.db2.gz XWRZYWSFYCNXGK-SQFXPLBJSA-N 1 0 374.222 3.116 20 10 FGCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000850501807 731365721 /nfs/dbraw/zinc/36/57/21/731365721.db2.gz POEGAZANGXGQKZ-FIRUKDTASA-N 1 0 372.303 3.371 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2nccn2C)c1O ZINC000850572317 731374614 /nfs/dbraw/zinc/37/46/14/731374614.db2.gz JYQMFUBFRAQNHV-UWVGGRQHSA-N 1 0 354.248 3.309 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(F)(F)F)CCCCC2)cc1 ZINC000852791010 731635972 /nfs/dbraw/zinc/63/59/72/731635972.db2.gz CEVLCIXGLHRCNO-OAHLLOKOSA-N 1 0 357.420 3.381 20 10 FGCDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853529929 731718760 /nfs/dbraw/zinc/71/87/60/731718760.db2.gz RXCSYJZTHUZVCH-CABCVRRESA-N 1 0 357.372 3.054 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000857914405 732168946 /nfs/dbraw/zinc/16/89/46/732168946.db2.gz KIGOJEIGQCORLQ-SFHVURJKSA-N 1 0 357.885 3.473 20 10 FGCDRO COc1ccccc1OCC[NH2+]Cc1c(O)cccc1Br ZINC000858087115 732178736 /nfs/dbraw/zinc/17/87/36/732178736.db2.gz JZPRIIWPKDUPGX-UHFFFAOYSA-N 1 0 352.228 3.332 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]CCCOCC1CCOCC1 ZINC000858142495 732185295 /nfs/dbraw/zinc/18/52/95/732185295.db2.gz CIFBUUNMNQJXOL-UHFFFAOYSA-N 1 0 358.276 3.078 20 10 FGCDRO CC(C)(CO)[C@@H]([NH2+]Cc1c(O)cccc1Br)c1cccnc1 ZINC000862379765 732819993 /nfs/dbraw/zinc/81/99/93/732819993.db2.gz OGWBDTUGQJLCBN-INIZCTEOSA-N 1 0 365.271 3.399 20 10 FGCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000862382945 732820729 /nfs/dbraw/zinc/82/07/29/732820729.db2.gz FBIYHMIZGZYAKA-CYBMUJFWSA-N 1 0 353.457 3.144 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1O ZINC000862468522 732838786 /nfs/dbraw/zinc/83/87/86/732838786.db2.gz KGGUOCXQMWNLMR-ZDUSSCGKSA-N 1 0 363.246 3.282 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccnc3Br)C2)cc1 ZINC000865622100 733240142 /nfs/dbraw/zinc/24/01/42/733240142.db2.gz LQGZKPCIXSEWNL-CQSZACIVSA-N 1 0 362.271 3.221 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)cc1F ZINC000865681888 733251219 /nfs/dbraw/zinc/25/12/19/733251219.db2.gz BGNUQRJSGMZRGH-HNNXBMFYSA-N 1 0 359.371 3.157 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Br)cc1O ZINC000866530415 733361466 /nfs/dbraw/zinc/36/14/66/733361466.db2.gz ASYSFBZNSOMZKD-GXTWGEPZSA-N 1 0 370.287 3.391 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000872077649 735585948 /nfs/dbraw/zinc/58/59/48/735585948.db2.gz KPIVBLWPBVYOOV-CRAIPNDOSA-N 1 0 354.441 3.096 20 10 FGCDRO CN(c1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1)C1CCCCC1 ZINC000876988793 736171254 /nfs/dbraw/zinc/17/12/54/736171254.db2.gz LURNWYHRPNKYJB-UHFFFAOYSA-N 1 0 364.555 3.370 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNCc3nc(Cl)cs3)cc2F)CC1 ZINC000877011452 736175176 /nfs/dbraw/zinc/17/51/76/736175176.db2.gz CHXBWLQEQAFFHR-UHFFFAOYSA-N 1 0 368.909 3.367 20 10 FGCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877637545 736697293 /nfs/dbraw/zinc/69/72/93/736697293.db2.gz VLFCQSZPXXHPJX-PUAOIOHZSA-N 1 0 368.458 3.460 20 10 FGCDRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c(OC)cc1Cl ZINC000879651068 737023458 /nfs/dbraw/zinc/02/34/58/737023458.db2.gz GJXKIUOCQHQXQP-NSHDSACASA-N 1 0 364.829 3.352 20 10 FGCDRO CSc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000882917859 737503947 /nfs/dbraw/zinc/50/39/47/737503947.db2.gz WRFZTTACFWFUFF-UHFFFAOYSA-N 1 0 350.459 3.392 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000886670581 739281043 /nfs/dbraw/zinc/28/10/43/739281043.db2.gz ROSQHKHCXQUTCE-IPYPFGDCSA-N 1 0 358.276 3.125 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891248321 739885784 /nfs/dbraw/zinc/88/57/84/739885784.db2.gz KOVBECRLTQZSGQ-RHSMWYFYSA-N 1 0 353.457 3.297 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCC2(F)F)[NH+](C)C)cc1 ZINC000891243156 739886025 /nfs/dbraw/zinc/88/60/25/739886025.db2.gz JPELBYCAMNFNBE-WBVHZDCISA-N 1 0 353.457 3.297 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)c2scnc2C2CC2)[NH+](C)C)cc1 ZINC000891249730 739886406 /nfs/dbraw/zinc/88/64/06/739886406.db2.gz WBDIWBXXTWEHQL-INIZCTEOSA-N 1 0 358.511 3.119 20 10 FGCDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCCCSc2nccs2)C1 ZINC000891674947 739926348 /nfs/dbraw/zinc/92/63/48/739926348.db2.gz VAWMWMDACMEJEI-MRXNPFEDSA-N 1 0 356.561 3.032 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@]3(C)Br)CC2)cc1 ZINC000892812344 740046845 /nfs/dbraw/zinc/04/68/45/740046845.db2.gz MBUDDSGZROVZRK-GUYCJALGSA-N 1 0 353.304 3.427 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1O ZINC000895822579 742457595 /nfs/dbraw/zinc/45/75/95/742457595.db2.gz ORFIVVHAAMGIJY-SJECXTJVSA-N 1 0 355.862 3.116 20 10 FGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(Br)cc1O ZINC000896840336 742606961 /nfs/dbraw/zinc/60/69/61/742606961.db2.gz NEPYDUZLZWULTH-UHFFFAOYSA-N 1 0 364.165 3.197 20 10 FGCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)N(C)C)cc1 ZINC000898450133 742795377 /nfs/dbraw/zinc/79/53/77/742795377.db2.gz OEHWQMXMNYWDTI-XIRDDKMYSA-N 1 0 359.436 3.055 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c1O ZINC000903372054 743841620 /nfs/dbraw/zinc/84/16/20/743841620.db2.gz HJEZWDOQSLOLMJ-ZDUSSCGKSA-N 1 0 355.862 3.053 20 10 FGCDRO O=S(=O)(Nc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1)C1CC1 ZINC000903425499 743849303 /nfs/dbraw/zinc/84/93/03/743849303.db2.gz HCCWCJHSBAXGGS-QGZVFWFLSA-N 1 0 358.463 3.073 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Cl)cc1O ZINC000903435479 743850801 /nfs/dbraw/zinc/85/08/01/743850801.db2.gz QYGAXTYZRPVHGG-GXSJLCMTSA-N 1 0 369.252 3.124 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1O ZINC000903478573 743854706 /nfs/dbraw/zinc/85/47/06/743854706.db2.gz GZJBZKJFCZNXKC-WDEREUQCSA-N 1 0 366.259 3.025 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1O ZINC000903481351 743856035 /nfs/dbraw/zinc/85/60/35/743856035.db2.gz ZJNKLGQLKGLDNR-ONGXEEELSA-N 1 0 354.223 3.156 20 10 FGCDRO Cc1cc(CC(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000916741585 758124602 /nfs/dbraw/zinc/12/46/02/758124602.db2.gz KHYGRRITIUGFPR-UHFFFAOYSA-N 1 0 359.901 3.454 20 10 FGCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917594617 758245972 /nfs/dbraw/zinc/24/59/72/758245972.db2.gz FZCOWWPOKDKTTN-LJQANCHMSA-N 1 0 360.571 3.076 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3[C@@H](C)COC[C@H]3C)cc2F)C[C@H](C)O1 ZINC000924716218 759375887 /nfs/dbraw/zinc/37/58/87/759375887.db2.gz NVZFUOQCSHRKKU-ZIZNQVOYSA-N 1 0 350.478 3.200 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)cn1 ZINC000925160657 759456935 /nfs/dbraw/zinc/45/69/35/759456935.db2.gz MLRRFHLOCLUNML-KGLIPLIRSA-N 1 0 350.413 3.341 20 10 FGCDRO CC[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(Br)ccc1O ZINC000927001789 759873390 /nfs/dbraw/zinc/87/33/90/759873390.db2.gz PEGZRZJTDRIYGZ-CQSZACIVSA-N 1 0 356.260 3.349 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1cc(Br)ccc1O ZINC000927155214 759909228 /nfs/dbraw/zinc/90/92/28/759909228.db2.gz JBINHEVEMCZUOI-BPUTZDHNSA-N 1 0 370.287 3.125 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000779031612 724382481 /nfs/dbraw/zinc/38/24/81/724382481.db2.gz KLSCPXXAQPGNHJ-XSRFYTQQSA-N 1 0 355.276 3.158 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000779035812 724383230 /nfs/dbraw/zinc/38/32/30/724383230.db2.gz IZLVXDZZKLNGHT-DLXBUUHESA-N 1 0 367.287 3.123 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc21 ZINC000573619436 505579906 /nfs/dbraw/zinc/57/99/06/505579906.db2.gz HDCOZOQSMDBPTC-OAHLLOKOSA-N 1 0 359.514 3.363 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136901 494268609 /nfs/dbraw/zinc/26/86/09/494268609.db2.gz HFYOMEAVFBRXJM-KRWDZBQOSA-N 1 0 357.454 3.354 20 10 FGCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1O ZINC000073442827 494372840 /nfs/dbraw/zinc/37/28/40/494372840.db2.gz HUZUIVJQNSLQGQ-INIZCTEOSA-N 1 0 373.453 3.020 20 10 FGCDRO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000109773206 494916683 /nfs/dbraw/zinc/91/66/83/494916683.db2.gz LINHFRKLPZPKBI-OAHLLOKOSA-N 1 0 372.465 3.109 20 10 FGCDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1C ZINC000130057744 495335159 /nfs/dbraw/zinc/33/51/59/495335159.db2.gz OFCKUHNVTKOQAV-ARFHVFGLSA-N 1 0 353.457 3.329 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cncs1 ZINC000135905812 495342012 /nfs/dbraw/zinc/34/20/12/495342012.db2.gz LFLKLKCYYALWLE-UHFFFAOYSA-N 1 0 357.401 3.288 20 10 FGCDRO COc1ccc([C@H](CCO)[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000120318232 495351031 /nfs/dbraw/zinc/35/10/31/495351031.db2.gz FFARPPPRSGPANB-QFIPXVFZSA-N 1 0 370.493 3.386 20 10 FGCDRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000151061485 495726032 /nfs/dbraw/zinc/72/60/32/495726032.db2.gz SDQZVQUVCQCNHH-GOSISDBHSA-N 1 0 370.493 3.399 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000154874462 495756805 /nfs/dbraw/zinc/75/68/05/495756805.db2.gz QIRCBWYOXWZKJI-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154949815 495782943 /nfs/dbraw/zinc/78/29/43/495782943.db2.gz DQLQRKOKNYJMKB-MRXNPFEDSA-N 1 0 353.871 3.230 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c(O)c1 ZINC000154965920 495787834 /nfs/dbraw/zinc/78/78/34/495787834.db2.gz IFJPKINQUWEQKT-SFHVURJKSA-N 1 0 363.479 3.057 20 10 FGCDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179934108 495790244 /nfs/dbraw/zinc/79/02/44/495790244.db2.gz RNGHENUFAWHLOR-UHFFFAOYSA-N 1 0 360.404 3.199 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186021810 495824441 /nfs/dbraw/zinc/82/44/41/495824441.db2.gz SSJJSURTVQHIFF-IAQYHMDHSA-N 1 0 356.388 3.085 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(NS(C)(=O)=O)cc1 ZINC000171379150 495846275 /nfs/dbraw/zinc/84/62/75/495846275.db2.gz TVDDEWFUQOHFDS-OAHLLOKOSA-N 1 0 373.522 3.291 20 10 FGCDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2ccccc2c1O ZINC000186100644 495856115 /nfs/dbraw/zinc/85/61/15/495856115.db2.gz UVHOSSGYQGPTLD-AWEZNQCLSA-N 1 0 374.506 3.153 20 10 FGCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151577735 495884567 /nfs/dbraw/zinc/88/45/67/495884567.db2.gz OABDGOGZFVEJGM-JOCHJYFZSA-N 1 0 368.521 3.243 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(Br)cc1O ZINC000186179665 495887304 /nfs/dbraw/zinc/88/73/04/495887304.db2.gz XQAGXCILQKDJHV-LLVKDONJSA-N 1 0 350.260 3.467 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190806 495890148 /nfs/dbraw/zinc/89/01/48/495890148.db2.gz ASSASIBSGQDZBR-DOTOQJQBSA-N 1 0 354.450 3.100 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000160520133 495982444 /nfs/dbraw/zinc/98/24/44/495982444.db2.gz AIYJJWXYCNGYHM-AEFFLSMTSA-N 1 0 365.477 3.300 20 10 FGCDRO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)cn21 ZINC000178055915 496307529 /nfs/dbraw/zinc/30/75/29/496307529.db2.gz DBOXZAFDHHGAJS-KRWDZBQOSA-N 1 0 350.466 3.330 20 10 FGCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1O)CC2 ZINC000187146757 496312593 /nfs/dbraw/zinc/31/25/93/496312593.db2.gz QAJMOFWVDJIMQT-ZWNOBZJWSA-N 1 0 365.275 3.029 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccc1OC ZINC000178874314 496601882 /nfs/dbraw/zinc/60/18/82/496601882.db2.gz FSXPZXQZDONBFL-PKOBYXMFSA-N 1 0 351.512 3.376 20 10 FGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000164301028 496603060 /nfs/dbraw/zinc/60/30/60/496603060.db2.gz XITZLJMANKLNAD-QFBILLFUSA-N 1 0 352.478 3.302 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1[O-] ZINC000187911366 496617130 /nfs/dbraw/zinc/61/71/30/496617130.db2.gz UHRYWNNNPMWAAL-CJNGLKHVSA-N 1 0 362.420 3.088 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185082875 496651070 /nfs/dbraw/zinc/65/10/70/496651070.db2.gz BHKFCNXHHAFIFB-INIZCTEOSA-N 1 0 368.477 3.251 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165804045 496668974 /nfs/dbraw/zinc/66/89/74/496668974.db2.gz QKMYJOGZULEIER-ZFWWWQNUSA-N 1 0 356.532 3.162 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c(O)c1C ZINC000273298388 496766874 /nfs/dbraw/zinc/76/68/74/496766874.db2.gz ASBHPDNPLVEKRP-HNNXBMFYSA-N 1 0 362.495 3.110 20 10 FGCDRO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273449223 496808971 /nfs/dbraw/zinc/80/89/71/496808971.db2.gz FQLAIUGAPWJBMF-CQSZACIVSA-N 1 0 356.426 3.263 20 10 FGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268877805 496811247 /nfs/dbraw/zinc/81/12/47/496811247.db2.gz QPZPYPVPRXZSEM-KKUMJFAQSA-N 1 0 360.477 3.332 20 10 FGCDRO COc1c([O-])c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278229774 497044205 /nfs/dbraw/zinc/04/42/05/497044205.db2.gz MRVKJWQTCXKBMH-INIZCTEOSA-N 1 0 372.421 3.348 20 10 FGCDRO O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248713397 497085327 /nfs/dbraw/zinc/08/53/27/497085327.db2.gz DHZNQJXGUNIKLC-PKOBYXMFSA-N 1 0 366.461 3.225 20 10 FGCDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C2CC2)ccc1O ZINC000278506036 497137558 /nfs/dbraw/zinc/13/75/58/497137558.db2.gz OXNQAUPUARPTDU-UHFFFAOYSA-N 1 0 374.393 3.188 20 10 FGCDRO c1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)nc(N2CCOCC2)c1 ZINC000274822266 497175691 /nfs/dbraw/zinc/17/56/91/497175691.db2.gz SDDUZTUNBIVKAH-UHFFFAOYSA-N 1 0 366.509 3.198 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000192726674 497196834 /nfs/dbraw/zinc/19/68/34/497196834.db2.gz ZISCSMPBWSQGON-HNNXBMFYSA-N 1 0 361.511 3.031 20 10 FGCDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cc1ccc(N)cc1 ZINC000237591085 497260748 /nfs/dbraw/zinc/26/07/48/497260748.db2.gz YLNOBNBNHLDAHM-UHFFFAOYSA-N 1 0 355.507 3.307 20 10 FGCDRO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000275653180 497393620 /nfs/dbraw/zinc/39/36/20/497393620.db2.gz WOLLDZMGEDRDCA-UHFFFAOYSA-N 1 0 350.418 3.089 20 10 FGCDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000271795594 497452723 /nfs/dbraw/zinc/45/27/23/497452723.db2.gz HUFQULCFLLSDKY-RBZFPXEDSA-N 1 0 361.438 3.284 20 10 FGCDRO Cc1cc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)n[nH]1 ZINC000276054648 497489215 /nfs/dbraw/zinc/48/92/15/497489215.db2.gz QWIOTPCKGZHLEH-UHFFFAOYSA-N 1 0 353.514 3.467 20 10 FGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000271984655 497503447 /nfs/dbraw/zinc/50/34/47/497503447.db2.gz KLBYQPOKCQFSTQ-IBGZPJMESA-N 1 0 355.434 3.071 20 10 FGCDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000276211743 497521471 /nfs/dbraw/zinc/52/14/71/497521471.db2.gz KUZMBWCWZMVKFU-ZDUSSCGKSA-N 1 0 364.383 3.091 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000279940061 497595649 /nfs/dbraw/zinc/59/56/49/497595649.db2.gz BDCJWMRTASNULR-NSHDSACASA-N 1 0 355.481 3.107 20 10 FGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1O ZINC000276670263 497624739 /nfs/dbraw/zinc/62/47/39/497624739.db2.gz ZAFWQCXJLHWXHJ-INIZCTEOSA-N 1 0 372.440 3.221 20 10 FGCDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272635735 497685685 /nfs/dbraw/zinc/68/56/85/497685685.db2.gz KZQCONMUFVEBQO-SOFGYWHQSA-N 1 0 374.403 3.234 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000276949389 497695873 /nfs/dbraw/zinc/69/58/73/497695873.db2.gz BRBOMLJORHKTOA-UHFFFAOYSA-N 1 0 369.870 3.138 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc2c(cc1O)CCCC2 ZINC000277019197 497717830 /nfs/dbraw/zinc/71/78/30/497717830.db2.gz DBTMSJZPHOSLSG-OAHLLOKOSA-N 1 0 352.482 3.381 20 10 FGCDRO CCC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1O ZINC000299655783 497883891 /nfs/dbraw/zinc/88/38/91/497883891.db2.gz PFVTUSHTYJMOQY-UHFFFAOYSA-N 1 0 358.438 3.260 20 10 FGCDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1CO)c1ccc(N2CCOCC2)cc1 ZINC000364584180 498035942 /nfs/dbraw/zinc/03/59/42/498035942.db2.gz VLIHWOLFBBXVJP-KPDCDPCYSA-N 1 0 366.505 3.470 20 10 FGCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)COCC(F)(F)F ZINC000292494489 498036309 /nfs/dbraw/zinc/03/63/09/498036309.db2.gz BRSZGCIHSPRQKL-QGZVFWFLSA-N 1 0 360.420 3.049 20 10 FGCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000364622612 498054580 /nfs/dbraw/zinc/05/45/80/498054580.db2.gz LIWJDPJZVWACQW-FQEVSTJZSA-N 1 0 373.541 3.110 20 10 FGCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000281228772 498065416 /nfs/dbraw/zinc/06/54/16/498065416.db2.gz DPJBTSVFHYAEIY-UHFFFAOYSA-N 1 0 356.514 3.271 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)cc1 ZINC000364745619 498125847 /nfs/dbraw/zinc/12/58/47/498125847.db2.gz ZAKNVAUGPIJVPQ-PRJVBOEPSA-N 1 0 370.541 3.299 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1OC ZINC000289400721 498133075 /nfs/dbraw/zinc/13/30/75/498133075.db2.gz OQXBFRNJGUOHAO-UHFFFAOYSA-N 1 0 360.429 3.439 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000289401038 498134343 /nfs/dbraw/zinc/13/43/43/498134343.db2.gz GOZWZUVAWIOTRE-GFCCVEGCSA-N 1 0 356.422 3.145 20 10 FGCDRO COc1cc(Br)c(C[NH2+]Cc2cccc(OC)c2O)cc1O ZINC000289409433 498137202 /nfs/dbraw/zinc/13/72/02/498137202.db2.gz HQVSGFUMWMMGMS-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000289589252 498207832 /nfs/dbraw/zinc/20/78/32/498207832.db2.gz KJZVQRLGQQMHCP-JQWIXIFHSA-N 1 0 368.193 3.147 20 10 FGCDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000289992828 498386517 /nfs/dbraw/zinc/38/65/17/498386517.db2.gz CJRQKGYBFDQINC-UHFFFAOYSA-N 1 0 357.454 3.293 20 10 FGCDRO CC[C@H]([NH2+]C[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000290308982 498503961 /nfs/dbraw/zinc/50/39/61/498503961.db2.gz ZOGOMWDSJHBSEV-UWJYYQICSA-N 1 0 359.466 3.444 20 10 FGCDRO CCn1cnnc1[C@@H]1C[N@@H+]([C@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525683 498513025 /nfs/dbraw/zinc/51/30/25/498513025.db2.gz CWPKKLMKOUOQTH-KDOFPFPSSA-N 1 0 352.438 3.291 20 10 FGCDRO O=C(c1cccc(O)c1O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000365702177 498604316 /nfs/dbraw/zinc/60/43/16/498604316.db2.gz LMMOGBVTGCPUMD-JOCHJYFZSA-N 1 0 366.461 3.226 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(Cl)c1[O-] ZINC000287540844 498791168 /nfs/dbraw/zinc/79/11/68/498791168.db2.gz FAQSVJKJSCNRRL-CABCVRRESA-N 1 0 362.861 3.015 20 10 FGCDRO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295233726 498951383 /nfs/dbraw/zinc/95/13/83/498951383.db2.gz DEZYMJXKXIQCSY-UHFFFAOYSA-N 1 0 366.820 3.481 20 10 FGCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295253853 498956694 /nfs/dbraw/zinc/95/66/94/498956694.db2.gz UMZXJSYJUQPRBS-OAHLLOKOSA-N 1 0 366.552 3.297 20 10 FGCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000299114973 498968457 /nfs/dbraw/zinc/96/84/57/498968457.db2.gz SCLFDFPDIXBCSG-SFHVURJKSA-N 1 0 358.530 3.159 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1O ZINC000363850438 499023723 /nfs/dbraw/zinc/02/37/23/499023723.db2.gz HKDSESKUFSCNMY-PBHICJAKSA-N 1 0 366.440 3.379 20 10 FGCDRO CN1C(=O)CSC12CC[NH+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000363870649 499033898 /nfs/dbraw/zinc/03/38/98/499033898.db2.gz WMSLONFUZNNQAF-UHFFFAOYSA-N 1 0 359.539 3.174 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)CCC(=O)NC3CCCC3)CC2)cc1 ZINC000369816255 499133032 /nfs/dbraw/zinc/13/30/32/499133032.db2.gz QTNAOKRXMAHPJF-UHFFFAOYSA-N 1 0 359.514 3.045 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Br)cc1O ZINC000369902258 499148954 /nfs/dbraw/zinc/14/89/54/499148954.db2.gz LPCIYLRVTWZEOC-RBOXIYTFSA-N 1 0 356.260 3.143 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000372597136 499151341 /nfs/dbraw/zinc/15/13/41/499151341.db2.gz XGAJVIUFCCDRBM-KDOFPFPSSA-N 1 0 358.482 3.185 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1 ZINC000370769449 499252795 /nfs/dbraw/zinc/25/27/95/499252795.db2.gz BIYBCUSBGAMKNU-UHFFFAOYSA-N 1 0 358.438 3.087 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1OCCc2sccc21 ZINC000368372079 499289674 /nfs/dbraw/zinc/28/96/74/499289674.db2.gz ZRWMEUAADVYEQG-YWZLYKJASA-N 1 0 358.507 3.377 20 10 FGCDRO CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000371333915 499311799 /nfs/dbraw/zinc/31/17/99/499311799.db2.gz FMSBHTYFJQKOEW-IBGZPJMESA-N 1 0 353.510 3.146 20 10 FGCDRO COc1ccc([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C2CCOCC2)cc1 ZINC000371357829 499315079 /nfs/dbraw/zinc/31/50/79/499315079.db2.gz RJVUWAIQLDZVTG-NRFANRHFSA-N 1 0 371.433 3.387 20 10 FGCDRO CC(C)c1nc(CN2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000371379870 499317780 /nfs/dbraw/zinc/31/77/80/499317780.db2.gz PNLCWPHLJHCTNN-UHFFFAOYSA-N 1 0 364.877 3.260 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000369120572 499367630 /nfs/dbraw/zinc/36/76/30/499367630.db2.gz VQUJSMBWQNWRTQ-SJORKVTESA-N 1 0 362.493 3.098 20 10 FGCDRO COCC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCCc2cccnc21 ZINC000372236064 499411741 /nfs/dbraw/zinc/41/17/41/499411741.db2.gz KYJICRRUGZEEPJ-QGZVFWFLSA-N 1 0 372.465 3.330 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2noc(C)n2)C1)c1ccc(N(C)C)cc1 ZINC000369518078 499411835 /nfs/dbraw/zinc/41/18/35/499411835.db2.gz ISTLIHKUWVQGQZ-HKUYNNGSSA-N 1 0 357.502 3.149 20 10 FGCDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000373509649 499474126 /nfs/dbraw/zinc/47/41/26/499474126.db2.gz PSRIZLSUHDJXCY-KRWDZBQOSA-N 1 0 357.523 3.498 20 10 FGCDRO c1c2ccccc2nn1[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000378572551 499533110 /nfs/dbraw/zinc/53/31/10/499533110.db2.gz CJXPXIJJRFELHM-OAQYLSRUSA-N 1 0 362.477 3.320 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C)cc1O ZINC000375648944 499541342 /nfs/dbraw/zinc/54/13/42/499541342.db2.gz NLXMJYQRNXYVJM-CRAIPNDOSA-N 1 0 353.466 3.119 20 10 FGCDRO CCn1cnnc1[C@H]1C[N@@H+]([C@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752582 499551631 /nfs/dbraw/zinc/55/16/31/499551631.db2.gz BOSWSCVDHPFPTK-AUUYWEPGSA-N 1 0 356.470 3.017 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccccc1O ZINC000376320983 499600444 /nfs/dbraw/zinc/60/04/44/499600444.db2.gz KSJSPIXFUBMVRS-MAUKXSAKSA-N 1 0 353.466 3.201 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000376895204 499644210 /nfs/dbraw/zinc/64/42/10/499644210.db2.gz WAAAGDAKCBTSQO-JKSUJKDBSA-N 1 0 353.466 3.119 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CSC2(C)C)C1 ZINC000582499214 506258270 /nfs/dbraw/zinc/25/82/70/506258270.db2.gz NLZHTCSXEFVFTJ-LJQANCHMSA-N 1 0 371.550 3.418 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000471224001 501960113 /nfs/dbraw/zinc/96/01/13/501960113.db2.gz LDXSZAWOFBFEKE-UHFFFAOYSA-N 1 0 365.477 3.357 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3([NH+](C)C)CCC3)ccc21 ZINC000474096812 502807824 /nfs/dbraw/zinc/80/78/24/502807824.db2.gz JUTBGBFBWWIVTH-UHFFFAOYSA-N 1 0 357.498 3.119 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3(C[NH+](C)C)CCC3)ccc21 ZINC000508643561 503536082 /nfs/dbraw/zinc/53/60/82/503536082.db2.gz LBGDPJQKPYYIOL-UHFFFAOYSA-N 1 0 357.498 3.119 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000518428233 503982046 /nfs/dbraw/zinc/98/20/46/503982046.db2.gz OPOOTOXPRRVOAV-LJQANCHMSA-N 1 0 369.509 3.213 20 10 FGCDRO COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000527963476 504017904 /nfs/dbraw/zinc/01/79/04/504017904.db2.gz ADQRJNQBKVZHFI-RDJZCZTQSA-N 1 0 356.466 3.335 20 10 FGCDRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000736818513 599103977 /nfs/dbraw/zinc/10/39/77/599103977.db2.gz RTRBLAWXVXELGH-UHFFFAOYSA-N 1 0 362.481 3.489 20 10 FGCDRO O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000740095555 600559776 /nfs/dbraw/zinc/55/97/76/600559776.db2.gz BJFZLMIECWXJHU-OAHLLOKOSA-N 1 0 354.450 3.161 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000821164908 607057846 /nfs/dbraw/zinc/05/78/46/607057846.db2.gz LWKXILSHRIJYHW-ZDUSSCGKSA-N 1 0 354.433 3.313 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000825147676 608286121 /nfs/dbraw/zinc/28/61/21/608286121.db2.gz LGRZJQBEYWTOGG-SFHVURJKSA-N 1 0 366.469 3.182 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1F ZINC000825878704 608507249 /nfs/dbraw/zinc/50/72/49/608507249.db2.gz BWKNQKIJNLXWCQ-GOSISDBHSA-N 1 0 366.444 3.239 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1O ZINC000093867715 700455405 /nfs/dbraw/zinc/45/54/05/700455405.db2.gz NTCJFSVWPJRFET-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(Br)ccc1O ZINC000093863644 700455590 /nfs/dbraw/zinc/45/55/90/700455590.db2.gz JJKLZABXEDJOSX-AWEZNQCLSA-N 1 0 350.260 3.398 20 10 FGCDRO Cc1ccc([C@H](C[NH2+]Cc2c(O)cccc2Cl)N2CCOCC2)o1 ZINC000113316482 700570883 /nfs/dbraw/zinc/57/08/83/700570883.db2.gz PUZYGPXVBUCHSZ-INIZCTEOSA-N 1 0 350.846 3.110 20 10 FGCDRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000119058098 700619057 /nfs/dbraw/zinc/61/90/57/700619057.db2.gz JRHIKPJQDISNJA-WBVHZDCISA-N 1 0 368.905 3.023 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000119476592 700630376 /nfs/dbraw/zinc/63/03/76/700630376.db2.gz JZDQFOIHUJJWBK-LSDHHAIUSA-N 1 0 350.459 3.326 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000125147504 700731038 /nfs/dbraw/zinc/73/10/38/700731038.db2.gz MXCLPVXJFAGWMM-DYVFJYSZSA-N 1 0 350.846 3.154 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccc(OC(F)(F)F)cc1 ZINC000136496172 704862079 /nfs/dbraw/zinc/86/20/79/704862079.db2.gz QIHRWOXVJBGFHB-CQSZACIVSA-N 1 0 355.356 3.232 20 10 FGCDRO CCC[N@H+](CC(=O)Nc1nnc(CC(C)C)s1)Cc1ccccc1O ZINC000137009470 704866833 /nfs/dbraw/zinc/86/68/33/704866833.db2.gz CVUYQUQRPXRZRJ-UHFFFAOYSA-N 1 0 362.499 3.293 20 10 FGCDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000153077309 704984799 /nfs/dbraw/zinc/98/47/99/704984799.db2.gz IVOBIEWQUKPMJW-UHFFFAOYSA-N 1 0 368.905 3.189 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000154905677 705054508 /nfs/dbraw/zinc/05/45/08/705054508.db2.gz RRJFIIKBWLMGDC-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1OC ZINC000159962188 705239432 /nfs/dbraw/zinc/23/94/32/705239432.db2.gz GNPKHWZDZDEWFV-UHFFFAOYSA-N 1 0 362.857 3.385 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160365073 705251195 /nfs/dbraw/zinc/25/11/95/705251195.db2.gz FEHNFUMGBAUOTK-OAHLLOKOSA-N 1 0 350.459 3.150 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163179688 705310075 /nfs/dbraw/zinc/31/00/75/705310075.db2.gz XJEXYXXCKONWLB-QRWLVFNGSA-N 1 0 350.478 3.254 20 10 FGCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(C)C ZINC000163406183 705313764 /nfs/dbraw/zinc/31/37/64/705313764.db2.gz QWBXMIAJZVYVRJ-QGZVFWFLSA-N 1 0 360.420 3.303 20 10 FGCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000164462575 705329110 /nfs/dbraw/zinc/32/91/10/705329110.db2.gz PXZVKBPNEOJWLV-HNNXBMFYSA-N 1 0 350.459 3.150 20 10 FGCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177084195 705605220 /nfs/dbraw/zinc/60/52/20/705605220.db2.gz QGOTUXVKEGWDAS-CQSZACIVSA-N 1 0 366.889 3.377 20 10 FGCDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178758939 705674927 /nfs/dbraw/zinc/67/49/27/705674927.db2.gz MPSXTRAUIROCGR-AWEZNQCLSA-N 1 0 352.450 3.045 20 10 FGCDRO O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CN1c1c(F)cccc1F ZINC000180221421 705732509 /nfs/dbraw/zinc/73/25/09/705732509.db2.gz ACNOYOLEWYILMF-GFCCVEGCSA-N 1 0 352.768 3.219 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000182451269 705844003 /nfs/dbraw/zinc/84/40/03/705844003.db2.gz TVVGKDJHQURXGW-VIFPVBQESA-N 1 0 354.328 3.107 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC000189920816 712803692 /nfs/dbraw/zinc/80/36/92/712803692.db2.gz JBCTWECKLBLAOI-DZGCQCFKSA-N 1 0 350.459 3.136 20 10 FGCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1ccccc1Br ZINC000237636711 713594880 /nfs/dbraw/zinc/59/48/80/713594880.db2.gz CNTVFFQEOGMJKU-GFCCVEGCSA-N 1 0 364.287 3.276 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCOc1cccc(C(F)(F)F)c1)OCO2 ZINC000238127536 713601133 /nfs/dbraw/zinc/60/11/33/713601133.db2.gz DTEFYHWVBIJHFW-UHFFFAOYSA-N 1 0 355.312 3.308 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)c1O ZINC000374254332 713908150 /nfs/dbraw/zinc/90/81/50/713908150.db2.gz LSJUCCYALWZEOL-UONOGXRCSA-N 1 0 356.260 3.307 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000779067301 724387102 /nfs/dbraw/zinc/38/71/02/724387102.db2.gz UOGZXPRKYKBNDB-GJZGRUSLSA-N 1 0 360.889 3.039 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000779067304 724387148 /nfs/dbraw/zinc/38/71/48/724387148.db2.gz UOGZXPRKYKBNDB-LSDHHAIUSA-N 1 0 360.889 3.039 20 10 FGCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000794717032 723542476 /nfs/dbraw/zinc/54/24/76/723542476.db2.gz WNWZRKGOZBPFNQ-QGZVFWFLSA-N 1 0 363.255 3.005 20 10 FGCDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(O)c1 ZINC000780984774 724519076 /nfs/dbraw/zinc/51/90/76/724519076.db2.gz NVFZHDCKSYKBRZ-MRXNPFEDSA-N 1 0 360.841 3.146 20 10 FGCDRO CC(C)[C@@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1CCCCC1 ZINC000804737049 724547347 /nfs/dbraw/zinc/54/73/47/724547347.db2.gz BOFYZQVSUMSAPP-INIZCTEOSA-N 1 0 369.303 3.281 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000733331901 722495818 /nfs/dbraw/zinc/49/58/18/722495818.db2.gz MQJCTQSUUBPLAF-UHFFFAOYSA-N 1 0 350.212 3.216 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccncc2)c1O ZINC000749295386 722723474 /nfs/dbraw/zinc/72/34/74/722723474.db2.gz MCEKPEQQMHHVGR-NSHDSACASA-N 1 0 351.244 3.279 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000756342976 722963099 /nfs/dbraw/zinc/96/30/99/722963099.db2.gz MBCSYLHFQCHYIA-WMZOPIPTSA-N 1 0 359.539 3.401 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Br)cc1O ZINC000756399489 722964018 /nfs/dbraw/zinc/96/40/18/722964018.db2.gz QCJAMNZKDVITOF-LLVKDONJSA-N 1 0 367.287 3.206 20 10 FGCDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000756529255 722966248 /nfs/dbraw/zinc/96/62/48/722966248.db2.gz QOVBMGMDUSVDOH-PWSUYJOCSA-N 1 0 357.248 3.036 20 10 FGCDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000756585617 722967276 /nfs/dbraw/zinc/96/72/76/722967276.db2.gz LASMIQRQQXAWRP-QGZVFWFLSA-N 1 0 360.523 3.321 20 10 FGCDRO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1CCCC[C@@H]1C ZINC000759560309 723008998 /nfs/dbraw/zinc/00/89/98/723008998.db2.gz FJEPIAYSUOSMTB-KBPBESRZSA-N 1 0 356.561 3.187 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[NH+](CCc3ccccc3)CC2)c1O ZINC000761183426 723130506 /nfs/dbraw/zinc/13/05/06/723130506.db2.gz JDCCIQWXBUJAQN-UHFFFAOYSA-N 1 0 360.885 3.415 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(I)c2)c1 ZINC000790544614 723151470 /nfs/dbraw/zinc/15/14/70/723151470.db2.gz PJMZOUOIJBZJQH-UHFFFAOYSA-N 1 0 369.202 3.295 20 10 FGCDRO COc1ccc(O)c(C[N@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000792197076 723320642 /nfs/dbraw/zinc/32/06/42/723320642.db2.gz UUZCTODEAQFZEW-UHFFFAOYSA-N 1 0 372.284 3.219 20 10 FGCDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000763384709 723339535 /nfs/dbraw/zinc/33/95/35/723339535.db2.gz SZFIMXMZKNZDLJ-ZDUSSCGKSA-N 1 0 363.479 3.026 20 10 FGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000792920472 723382600 /nfs/dbraw/zinc/38/26/00/723382600.db2.gz XKILCJYLZREESD-CIRFHOKZSA-N 1 0 350.478 3.487 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@]2(N(C)C)CCSC2)c(C(F)(F)F)c1 ZINC000792999127 723391433 /nfs/dbraw/zinc/39/14/33/723391433.db2.gz BZDBPPQSRWNDSR-MRXNPFEDSA-N 1 0 361.477 3.298 20 10 FGCDRO CN(C)c1ccc([C@@H](C[NH2+]CC2(F)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000793038558 723394729 /nfs/dbraw/zinc/39/47/29/723394729.db2.gz RVSYAPRYVSXXBP-MRXNPFEDSA-N 1 0 351.466 3.410 20 10 FGCDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978643 723549728 /nfs/dbraw/zinc/54/97/28/723549728.db2.gz DQPCVIVCQVPQCQ-VQIMIIECSA-N 1 0 364.555 3.226 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000766027924 723551934 /nfs/dbraw/zinc/55/19/34/723551934.db2.gz BBCJFCBXNGGUAF-OAHLLOKOSA-N 1 0 361.511 3.283 20 10 FGCDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000766136279 723558031 /nfs/dbraw/zinc/55/80/31/723558031.db2.gz CSMZQMARHJHABK-KSSFIOAISA-N 1 0 364.873 3.462 20 10 FGCDRO C[C@H](c1nccs1)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000767486479 723620899 /nfs/dbraw/zinc/62/08/99/723620899.db2.gz XNFQRNDLAWHOIY-CQSZACIVSA-N 1 0 354.479 3.276 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000796447747 723638025 /nfs/dbraw/zinc/63/80/25/723638025.db2.gz CPBRTDUHKBVOLH-GFCCVEGCSA-N 1 0 358.829 3.486 20 10 FGCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000768182206 723649509 /nfs/dbraw/zinc/64/95/09/723649509.db2.gz WOSVGOJOGGXZPH-CQSZACIVSA-N 1 0 364.239 3.427 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768443607 723657787 /nfs/dbraw/zinc/65/77/87/723657787.db2.gz HMRKGJUPPNCQGO-AWEZNQCLSA-N 1 0 350.459 3.056 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1)CCCC2 ZINC000768448321 723658004 /nfs/dbraw/zinc/65/80/04/723658004.db2.gz UISAPYHEQJWUCI-UHFFFAOYSA-N 1 0 360.395 3.289 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000768650960 723664319 /nfs/dbraw/zinc/66/43/19/723664319.db2.gz HUJTUFXFIKCLOF-QUCCMNQESA-N 1 0 357.885 3.468 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769424050 723685248 /nfs/dbraw/zinc/68/52/48/723685248.db2.gz QOUKIMDLUWZQEA-DZGCQCFKSA-N 1 0 350.459 3.136 20 10 FGCDRO O=C1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CN1c1c(F)cccc1F ZINC000770751529 723720515 /nfs/dbraw/zinc/72/05/15/723720515.db2.gz YHZCHHUILJOATE-SNVBAGLBSA-N 1 0 352.768 3.219 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000773108287 723776791 /nfs/dbraw/zinc/77/67/91/723776791.db2.gz VWCAGGMEZJEQHO-NEPJUHHUSA-N 1 0 366.811 3.141 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000797142507 723786206 /nfs/dbraw/zinc/78/62/06/723786206.db2.gz WKILPKQGKCEWRU-AGIUHOORSA-N 1 0 362.499 3.428 20 10 FGCDRO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1O ZINC000775490299 723995172 /nfs/dbraw/zinc/99/51/72/723995172.db2.gz VPKKZAHSCMIDFU-WMZOPIPTSA-N 1 0 370.946 3.294 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1cc(Br)ccc1O ZINC000775526966 723998371 /nfs/dbraw/zinc/99/83/71/723998371.db2.gz UNJMUEKKKZWHTN-UBHSHLNASA-N 1 0 355.276 3.110 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1cc(Cl)ccc1O ZINC000775538999 723998935 /nfs/dbraw/zinc/99/89/35/723998935.db2.gz BPRGGMVMZCDPBT-CVEARBPZSA-N 1 0 356.894 3.264 20 10 FGCDRO Cc1cc(Cl)cc(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000775733572 724033602 /nfs/dbraw/zinc/03/36/02/724033602.db2.gz VVBMEXZQDULUDT-UHFFFAOYSA-N 1 0 365.949 3.344 20 10 FGCDRO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775834705 724069278 /nfs/dbraw/zinc/06/92/78/724069278.db2.gz PDDCIRWDLHTEHB-ZDUSSCGKSA-N 1 0 361.515 3.236 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000776174938 724115872 /nfs/dbraw/zinc/11/58/72/724115872.db2.gz FULZJZTYLYBPBU-NVXWUHKLSA-N 1 0 355.356 3.025 20 10 FGCDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000800901216 724245315 /nfs/dbraw/zinc/24/53/15/724245315.db2.gz QREYMVIQWHBBAI-GOSISDBHSA-N 1 0 358.869 3.369 20 10 FGCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000802221833 724365808 /nfs/dbraw/zinc/36/58/08/724365808.db2.gz JPUVFGQHIXJUQE-LJQANCHMSA-N 1 0 365.543 3.141 20 10 FGCDRO CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1[O-] ZINC000806149891 725118267 /nfs/dbraw/zinc/11/82/67/725118267.db2.gz YOMHESPXCQLLET-OKZBNKHCSA-N 1 0 352.906 3.464 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000808705970 725214361 /nfs/dbraw/zinc/21/43/61/725214361.db2.gz VUPWGGFLJPFDLM-JOYOIKCWSA-N 1 0 350.768 3.168 20 10 FGCDRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000809690918 725258957 /nfs/dbraw/zinc/25/89/57/725258957.db2.gz FQLGSVQOORXIKW-INIZCTEOSA-N 1 0 350.459 3.282 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000809713355 725261601 /nfs/dbraw/zinc/26/16/01/725261601.db2.gz NFQDGTRVBQJVQG-CMPLNLGQSA-N 1 0 354.166 3.354 20 10 FGCDRO Cn1cc(C[NH2+]Cc2cc(Br)ccc2O)c(-c2cccnc2)n1 ZINC000809713616 725261641 /nfs/dbraw/zinc/26/16/41/725261641.db2.gz UMIWYCBRTAUXGC-UHFFFAOYSA-N 1 0 373.254 3.240 20 10 FGCDRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000809740955 725264182 /nfs/dbraw/zinc/26/41/82/725264182.db2.gz GVJBWKIOKACVQL-ZIAGYGMSSA-N 1 0 357.397 3.248 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(C(F)(F)F)cc1O ZINC000810216439 725297428 /nfs/dbraw/zinc/29/74/28/725297428.db2.gz VYHWAXJIDIMHOU-GXTWGEPZSA-N 1 0 354.376 3.367 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810223334 725297855 /nfs/dbraw/zinc/29/78/55/725297855.db2.gz LABHSZMVSXVERH-GXFFZTMASA-N 1 0 353.406 3.275 20 10 FGCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000810237400 725298904 /nfs/dbraw/zinc/29/89/04/725298904.db2.gz HSRQITQBXDRXOB-CYBMUJFWSA-N 1 0 365.417 3.419 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cc(Br)ccc1O ZINC000810242313 725299194 /nfs/dbraw/zinc/29/91/94/725299194.db2.gz PNYJXOPSTAETMA-NSHDSACASA-N 1 0 363.255 3.033 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCSC1 ZINC000810631468 725318697 /nfs/dbraw/zinc/31/86/97/725318697.db2.gz UYLNTVLRPPOMTQ-CJNGLKHVSA-N 1 0 368.930 3.269 20 10 FGCDRO Cc1cnn([C@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)c1 ZINC000811519563 725372304 /nfs/dbraw/zinc/37/23/04/725372304.db2.gz AVQKOKOAPMKIRL-HNNXBMFYSA-N 1 0 350.260 3.415 20 10 FGCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000816511158 727169774 /nfs/dbraw/zinc/16/97/74/727169774.db2.gz PZDANWIRLHAGBY-OAHLLOKOSA-N 1 0 352.356 3.140 20 10 FGCDRO CCCN1C[C@@H](C[NH2+][C@H](CC)c2cc(Br)ccc2O)CC1=O ZINC000817590203 727268853 /nfs/dbraw/zinc/26/88/53/727268853.db2.gz WHMBSHCTNJGXGY-IUODEOHRSA-N 1 0 369.303 3.454 20 10 FGCDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1=O ZINC000817589235 727268987 /nfs/dbraw/zinc/26/89/87/727268987.db2.gz MIAVHCGKZVVADA-RYUDHWBXSA-N 1 0 355.276 3.064 20 10 FGCDRO C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817899399 727287441 /nfs/dbraw/zinc/28/74/41/727287441.db2.gz LMLVUBMZWHOHQS-RVKKMQEKSA-N 1 0 353.457 3.377 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)C2)cc1 ZINC000818341971 727308480 /nfs/dbraw/zinc/30/84/80/727308480.db2.gz JPQYLSCNVYUNJF-UTRMSSBJSA-N 1 0 364.580 3.491 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccccc1Cl ZINC000818953740 727329651 /nfs/dbraw/zinc/32/96/51/727329651.db2.gz MIGFYJLHMGWSNZ-SFHVURJKSA-N 1 0 360.885 3.470 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(C(F)(F)F)cc1 ZINC000818996377 727336045 /nfs/dbraw/zinc/33/60/45/727336045.db2.gz FSMYBFAZHFMJKK-QGZVFWFLSA-N 1 0 351.368 3.334 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C[C@H](C)O1 ZINC000823671209 729297720 /nfs/dbraw/zinc/29/77/20/729297720.db2.gz KCJVSJGGVSVBRB-NUALHRCUSA-N 1 0 350.478 3.485 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C(F)(F)F)cc1O ZINC000824583765 729349188 /nfs/dbraw/zinc/34/91/88/729349188.db2.gz QHLGVGZWKMPSGE-HOCLYGCPSA-N 1 0 360.420 3.299 20 10 FGCDRO Cn1cc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC23CCOCC3)cn1 ZINC000824716624 729356441 /nfs/dbraw/zinc/35/64/41/729356441.db2.gz XEGGRIGTEFITIO-QGZVFWFLSA-N 1 0 361.873 3.175 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(Br)cc2O)cc1OC ZINC000825050575 729369079 /nfs/dbraw/zinc/36/90/79/729369079.db2.gz TZJHWRYTUSHTAC-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133481 729372270 /nfs/dbraw/zinc/37/22/70/729372270.db2.gz HGFYIGSMCXRFJM-MRXNPFEDSA-N 1 0 356.260 3.166 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263966 729376100 /nfs/dbraw/zinc/37/61/00/729376100.db2.gz XIGKAGLIQUIAAF-UONOGXRCSA-N 1 0 350.459 3.184 20 10 FGCDRO O=C1[C@H]([NH2+]Cc2ccc(Br)cc2O)CCN1C1CCCCC1 ZINC000825365152 729380380 /nfs/dbraw/zinc/38/03/80/729380380.db2.gz GBQHILXRCZCSPV-OAHLLOKOSA-N 1 0 367.287 3.178 20 10 FGCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825650988 729390423 /nfs/dbraw/zinc/39/04/23/729390423.db2.gz BSOXBHHMUCLKKT-INIZCTEOSA-N 1 0 350.256 3.156 20 10 FGCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825773416 729394861 /nfs/dbraw/zinc/39/48/61/729394861.db2.gz GGQFPZNKTZHGHW-MRXNPFEDSA-N 1 0 350.256 3.238 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000826029255 729402838 /nfs/dbraw/zinc/40/28/38/729402838.db2.gz BGEKARCVPSSBAI-CYBMUJFWSA-N 1 0 351.855 3.015 20 10 FGCDRO Cc1cccc(CSCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832286144 729702399 /nfs/dbraw/zinc/70/23/99/729702399.db2.gz WQBOYZMPEBUWEH-LJQANCHMSA-N 1 0 357.523 3.110 20 10 FGCDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834799135 729835169 /nfs/dbraw/zinc/83/51/69/729835169.db2.gz WJRVROFNRDOMRU-ZIAGYGMSSA-N 1 0 356.388 3.303 20 10 FGCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000834880683 729841914 /nfs/dbraw/zinc/84/19/14/729841914.db2.gz NQURWOPEMMMJOP-SLEUVZQESA-N 1 0 358.276 3.165 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCNC(=O)c2ccccc2Cl)cc1 ZINC000835039669 729852113 /nfs/dbraw/zinc/85/21/13/729852113.db2.gz JYPPTEUQJRIRNB-AATRIKPKSA-N 1 0 357.885 3.439 20 10 FGCDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000835083211 729857599 /nfs/dbraw/zinc/85/75/99/729857599.db2.gz RTIAQFMORWKQTH-OAHLLOKOSA-N 1 0 370.877 3.161 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000840941779 730194675 /nfs/dbraw/zinc/19/46/75/730194675.db2.gz LPIGJNWBNYMILG-UHFFFAOYSA-N 1 0 366.914 3.408 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](CN)C2CCCCC2)c1O ZINC000841039404 730205090 /nfs/dbraw/zinc/20/50/90/730205090.db2.gz NNEJAVWMRHCBFZ-AWEZNQCLSA-N 1 0 357.292 3.161 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2csc(-c3ccccn3)n2)cc1 ZINC000841044894 730205648 /nfs/dbraw/zinc/20/56/48/730205648.db2.gz ZQLCWLGXMJJNON-KRWDZBQOSA-N 1 0 353.495 3.061 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(F)ccc2Br)cc1 ZINC000841044566 730205677 /nfs/dbraw/zinc/20/56/77/730205677.db2.gz DGCVRSOLBPFNLM-KRWDZBQOSA-N 1 0 366.278 3.444 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744983 730269949 /nfs/dbraw/zinc/26/99/49/730269949.db2.gz LVVQLJPLIRIPER-NWDGAFQWSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1O ZINC000841765420 730272160 /nfs/dbraw/zinc/27/21/60/730272160.db2.gz YADDJLLFXQWNHA-GFCCVEGCSA-N 1 0 369.870 3.179 20 10 FGCDRO O=C(NCCCSc1nccs1)NCC[NH2+]C1CCCCCC1 ZINC000841858170 730281368 /nfs/dbraw/zinc/28/13/68/730281368.db2.gz UHNOPRFNKYZEMC-UHFFFAOYSA-N 1 0 356.561 3.237 20 10 FGCDRO [NH3+]CCC[C@H](NC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000841858033 730281416 /nfs/dbraw/zinc/28/14/16/730281416.db2.gz SHFQDOVBBWKDOY-HNNXBMFYSA-N 1 0 364.540 3.405 20 10 FGCDRO OC[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841893950 730283401 /nfs/dbraw/zinc/28/34/01/730283401.db2.gz RNSNSVDUILYEAG-GOSISDBHSA-N 1 0 350.478 3.083 20 10 FGCDRO CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000842921366 730557020 /nfs/dbraw/zinc/55/70/20/730557020.db2.gz XZDMHLSKACYFIG-RHSMWYFYSA-N 1 0 372.303 3.373 20 10 FGCDRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846162078 730932885 /nfs/dbraw/zinc/93/28/85/730932885.db2.gz AGTOSYGMVIFAHA-UONOGXRCSA-N 1 0 350.459 3.308 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc(Cl)n3C)cc2F)C[C@@H](C)O1 ZINC000848530014 731176413 /nfs/dbraw/zinc/17/64/13/731176413.db2.gz BBKRDTQRFIOOJQ-CHWSQXEVSA-N 1 0 366.868 3.116 20 10 FGCDRO Oc1c(Br)cccc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000849351900 731251742 /nfs/dbraw/zinc/25/17/42/731251742.db2.gz FBZVCCXSAFWQJC-INIZCTEOSA-N 1 0 363.255 3.428 20 10 FGCDRO COc1cc(C[NH2+][C@H](C)C2(OC)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850329151 731343376 /nfs/dbraw/zinc/34/33/76/731343376.db2.gz JWHYLRHSEKGGAP-CQSZACIVSA-N 1 0 351.487 3.372 20 10 FGCDRO CCN(CC)c1ncc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000850346660 731345178 /nfs/dbraw/zinc/34/51/78/731345178.db2.gz VZIZDOJXDNVUER-HNNXBMFYSA-N 1 0 360.527 3.366 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cncc(Br)c3)C2)cc1 ZINC000850347086 731345354 /nfs/dbraw/zinc/34/53/54/731345354.db2.gz NFKOCSYYLKVEHK-HNNXBMFYSA-N 1 0 362.271 3.221 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 ZINC000850368954 731349120 /nfs/dbraw/zinc/34/91/20/731349120.db2.gz QFWAUGGTCRUOTQ-AEFFLSMTSA-N 1 0 352.544 3.368 20 10 FGCDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850557125 731372893 /nfs/dbraw/zinc/37/28/93/731372893.db2.gz URLUBCNQBABFPW-UQPPLGOBSA-N 1 0 352.906 3.378 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)cc2)CC1 ZINC000850568021 731374304 /nfs/dbraw/zinc/37/43/04/731374304.db2.gz NZXAMAQFHRLHJW-GUDVDZBRSA-N 1 0 364.580 3.117 20 10 FGCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852857352 731641343 /nfs/dbraw/zinc/64/13/43/731641343.db2.gz QGISGZJFMXNQJU-QGZVFWFLSA-N 1 0 357.420 3.033 20 10 FGCDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1=CC(=O)CS1 ZINC000856169958 731991041 /nfs/dbraw/zinc/99/10/41/731991041.db2.gz WGPCSNQBZSZTRA-MRXNPFEDSA-N 1 0 356.491 3.486 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)ncc2Br)c1 ZINC000856734197 732049149 /nfs/dbraw/zinc/04/91/49/732049149.db2.gz PICVVEGXWAJHMP-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO CN(C)c1cc(F)c(C[NH2+]CCNC(=O)c2ccccc2Cl)cc1F ZINC000858136679 732184320 /nfs/dbraw/zinc/18/43/20/732184320.db2.gz YBDWNVICVUVMTC-UHFFFAOYSA-N 1 0 367.827 3.204 20 10 FGCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858148700 732186040 /nfs/dbraw/zinc/18/60/40/732186040.db2.gz HUUBSOQODDAMSE-PVUDRZGPSA-N 1 0 360.317 3.324 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000858149909 732186184 /nfs/dbraw/zinc/18/61/84/732186184.db2.gz ZRUUAHKLUSCYAY-NSHDSACASA-N 1 0 366.234 3.057 20 10 FGCDRO CNC(=O)CC1(C[NH2+]Cc2c(O)cccc2Br)CCCCC1 ZINC000858195272 732191313 /nfs/dbraw/zinc/19/13/13/732191313.db2.gz UIAOJGOBMCQUOZ-UHFFFAOYSA-N 1 0 369.303 3.331 20 10 FGCDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cc(C)ccc1O ZINC000858239264 732195966 /nfs/dbraw/zinc/19/59/66/732195966.db2.gz KQQPVHWPDATBDW-UHFFFAOYSA-N 1 0 353.871 3.437 20 10 FGCDRO C[N@@H+]1C[C@H](C(=O)NCCCSc2nccs2)[C@@H](c2ccccc2)C1 ZINC000859351257 732315639 /nfs/dbraw/zinc/31/56/39/732315639.db2.gz DZNUBFMNOFESSX-CVEARBPZSA-N 1 0 361.536 3.087 20 10 FGCDRO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)s1 ZINC000859548641 732348153 /nfs/dbraw/zinc/34/81/53/732348153.db2.gz HAOMEUOKXZVKRW-UHFFFAOYSA-N 1 0 359.495 3.375 20 10 FGCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862236723 732792613 /nfs/dbraw/zinc/79/26/13/732792613.db2.gz CDDMJRMAYCJYII-CYBMUJFWSA-N 1 0 369.303 3.139 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862403265 732825612 /nfs/dbraw/zinc/82/56/12/732825612.db2.gz OLCKLAOBXXIDRF-BLLLJJGKSA-N 1 0 370.877 3.160 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(C(F)F)nc3)SC2=S)CC1 ZINC000864355733 733049223 /nfs/dbraw/zinc/04/92/23/733049223.db2.gz IWIQKQPSXMCJMS-JYRVWZFOSA-N 1 0 369.462 3.315 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000865783402 733269447 /nfs/dbraw/zinc/26/94/47/733269447.db2.gz POYZHKFFAOZNPP-CQSZACIVSA-N 1 0 363.479 3.088 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000865792769 733271375 /nfs/dbraw/zinc/27/13/75/733271375.db2.gz MFQXSGWPPPDEKD-CTYIDZIISA-N 1 0 350.459 3.184 20 10 FGCDRO Cc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c(O)c1 ZINC000877546871 736682309 /nfs/dbraw/zinc/68/23/09/736682309.db2.gz XQIQHKAKIAQMEG-OAHLLOKOSA-N 1 0 354.219 3.425 20 10 FGCDRO COC(=O)c1csc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000877598557 736690815 /nfs/dbraw/zinc/69/08/15/736690815.db2.gz PCTZQTXWUXRIAD-CQSZACIVSA-N 1 0 360.479 3.159 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1O ZINC000877691680 736706444 /nfs/dbraw/zinc/70/64/44/736706444.db2.gz OLVIZDDLCGXPLV-KRWDZBQOSA-N 1 0 350.802 3.260 20 10 FGCDRO O=C(NCCCSc1nccs1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891674665 739926249 /nfs/dbraw/zinc/92/62/49/739926249.db2.gz OOSXCCXXHPXZKC-AWEZNQCLSA-N 1 0 368.572 3.237 20 10 FGCDRO C[NH+](C)CCc1ccc(CNC(=O)NCc2cccc(Cl)c2O)cc1 ZINC000894345169 742271142 /nfs/dbraw/zinc/27/11/42/742271142.db2.gz LQVJTYBQHJYBAU-UHFFFAOYSA-N 1 0 361.873 3.149 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2O)c(O)c1OC ZINC000894430934 742282994 /nfs/dbraw/zinc/28/29/94/742282994.db2.gz AMJPZWQRSVUFKB-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c(O)c1 ZINC000894638160 742312441 /nfs/dbraw/zinc/31/24/41/742312441.db2.gz QESUNXSUNDSKDG-GFCCVEGCSA-N 1 0 360.401 3.039 20 10 FGCDRO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C(F)(F)F)C2)no1 ZINC000896232084 742517993 /nfs/dbraw/zinc/51/79/93/742517993.db2.gz GVKOFUFWJIZHFN-ZDUSSCGKSA-N 1 0 354.376 3.452 20 10 FGCDRO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000896962195 742622288 /nfs/dbraw/zinc/62/22/88/742622288.db2.gz QZOUUYNWFXXBFS-UHFFFAOYSA-N 1 0 361.360 3.108 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1O ZINC000897050254 742636563 /nfs/dbraw/zinc/63/65/63/742636563.db2.gz PUYCGXMYTHXQRL-ZSOGYDGISA-N 1 0 356.260 3.235 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)c1 ZINC000898168516 742752114 /nfs/dbraw/zinc/75/21/14/742752114.db2.gz IAESQIAWFCVHDF-KRWDZBQOSA-N 1 0 366.255 3.161 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898722244 742825682 /nfs/dbraw/zinc/82/56/82/742825682.db2.gz ZCTOEGSZSCOIBT-WDEREUQCSA-N 1 0 366.259 3.025 20 10 FGCDRO C[C@@](O)(C[NH2+]CCCSc1nccs1)C(F)(F)C(F)(F)F ZINC000905109175 743993652 /nfs/dbraw/zinc/99/36/52/743993652.db2.gz CIPCTJONFGJXIN-SECBINFHSA-N 1 0 350.378 3.164 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C(F)F)c(F)c2)cc1 ZINC000911667923 757202174 /nfs/dbraw/zinc/20/21/74/757202174.db2.gz UHWATDXXGUYYQY-INIZCTEOSA-N 1 0 351.372 3.259 20 10 FGCDRO CN(c1ccc(CNC(=S)NCCC[NH+](C)C)cc1)C1CCCCC1 ZINC000921269929 758678453 /nfs/dbraw/zinc/67/84/53/758678453.db2.gz CCLTVGKVBQWIFZ-UHFFFAOYSA-N 1 0 362.587 3.371 20 10 FGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1 ZINC000922681438 758978327 /nfs/dbraw/zinc/97/83/27/758978327.db2.gz NPWOZHLHDDFLLE-VOTSOKGWSA-N 1 0 358.507 3.002 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000926909278 759843828 /nfs/dbraw/zinc/84/38/28/759843828.db2.gz AACHHUPVEJWTPH-AWEZNQCLSA-N 1 0 363.479 3.088 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCNc2ncccn2)c1O ZINC000779027688 724382422 /nfs/dbraw/zinc/38/24/22/724382422.db2.gz SLLDTBNVDLISLK-GFCCVEGCSA-N 1 0 365.275 3.406 20 10 FGCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000081330183 493871936 /nfs/dbraw/zinc/87/19/36/493871936.db2.gz SLPCWXAAJJAJFK-SFHVURJKSA-N 1 0 354.498 3.293 20 10 FGCDRO COC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(C)C ZINC000580276276 505720175 /nfs/dbraw/zinc/72/01/75/505720175.db2.gz LLJRVUBSRLEMCL-IBGZPJMESA-N 1 0 371.525 3.195 20 10 FGCDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000126030720 494614470 /nfs/dbraw/zinc/61/44/70/494614470.db2.gz NVXLKZDWBIRUDZ-UHFFFAOYSA-N 1 0 356.514 3.125 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115847412 494640369 /nfs/dbraw/zinc/64/03/69/494640369.db2.gz PWHIBUJFVYYCCI-UHFFFAOYSA-N 1 0 359.495 3.260 20 10 FGCDRO CC(=O)Nc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121321986 494700778 /nfs/dbraw/zinc/70/07/78/494700778.db2.gz HOILVTVUVIMGHF-UHFFFAOYSA-N 1 0 353.466 3.114 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000057280853 494703746 /nfs/dbraw/zinc/70/37/46/494703746.db2.gz QPUDXZWFQNVLJC-CTXDPNEZSA-N 1 0 358.530 3.157 20 10 FGCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092707398 494722332 /nfs/dbraw/zinc/72/23/32/494722332.db2.gz HTTRGYOUCSNKLB-ZDUSSCGKSA-N 1 0 369.303 3.283 20 10 FGCDRO Cc1nc(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)no1 ZINC000092787557 494746250 /nfs/dbraw/zinc/74/62/50/494746250.db2.gz HOLIHROZIMGDHT-UHFFFAOYSA-N 1 0 352.232 3.226 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000126907298 494860287 /nfs/dbraw/zinc/86/02/87/494860287.db2.gz BQKRHLPIWCTVRB-GOSISDBHSA-N 1 0 352.482 3.047 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000130429649 495391074 /nfs/dbraw/zinc/39/10/74/495391074.db2.gz ROBMPKSXIYTVNR-VBKZILBWSA-N 1 0 362.420 3.186 20 10 FGCDRO COc1ccc(O)c(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000159383428 495720909 /nfs/dbraw/zinc/72/09/09/495720909.db2.gz SHERKBCSQZIVEX-UHFFFAOYSA-N 1 0 368.477 3.319 20 10 FGCDRO Cc1cccc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)c1O ZINC000179866717 495764059 /nfs/dbraw/zinc/76/40/59/495764059.db2.gz YNTFSBAFFHRCNA-UHFFFAOYSA-N 1 0 363.479 3.005 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000151234693 495780429 /nfs/dbraw/zinc/78/04/29/495780429.db2.gz FIJCMYUKBCSUMH-KRWDZBQOSA-N 1 0 354.498 3.225 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000180000790 495817488 /nfs/dbraw/zinc/81/74/88/495817488.db2.gz PHQZOCHMBWJOKQ-UHFFFAOYSA-N 1 0 372.440 3.278 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1OC ZINC000160299985 495930219 /nfs/dbraw/zinc/93/02/19/495930219.db2.gz GDUVMVGBPPPQAY-QGZVFWFLSA-N 1 0 357.450 3.448 20 10 FGCDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622445 496035642 /nfs/dbraw/zinc/03/56/42/496035642.db2.gz RNELZWMSMINJIH-HNNXBMFYSA-N 1 0 364.440 3.397 20 10 FGCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161367105 496160806 /nfs/dbraw/zinc/16/08/06/496160806.db2.gz AUXDXKSKUXKVKB-YCRPNKLZSA-N 1 0 374.456 3.055 20 10 FGCDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Br)ccc1O ZINC000186868764 496188051 /nfs/dbraw/zinc/18/80/51/496188051.db2.gz LVIBUSFMAAJLLU-LLVKDONJSA-N 1 0 364.305 3.020 20 10 FGCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181083765 496264103 /nfs/dbraw/zinc/26/41/03/496264103.db2.gz UONNHKVMILJLHL-MDVISLEMSA-N 1 0 358.482 3.224 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1cc(Br)ccc1O ZINC000156562586 496280028 /nfs/dbraw/zinc/28/00/28/496280028.db2.gz NWYVADGRUWKSSF-GXFFZTMASA-N 1 0 364.305 3.019 20 10 FGCDRO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cn21 ZINC000178055932 496307176 /nfs/dbraw/zinc/30/71/76/496307176.db2.gz DBOXZAFDHHGAJS-QGZVFWFLSA-N 1 0 350.466 3.330 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178656341 496530450 /nfs/dbraw/zinc/53/04/50/496530450.db2.gz UTHBVAPIQDGCDK-FXAWDEMLSA-N 1 0 372.484 3.479 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000163703523 496548194 /nfs/dbraw/zinc/54/81/94/496548194.db2.gz YXYXVYMHOKHQTO-GOSISDBHSA-N 1 0 353.510 3.436 20 10 FGCDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000184982589 496610992 /nfs/dbraw/zinc/61/09/92/496610992.db2.gz CKPOSJJNNZFOLX-GFCCVEGCSA-N 1 0 369.303 3.452 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000185109486 496664758 /nfs/dbraw/zinc/66/47/58/496664758.db2.gz ISPIEHYJDPWUSB-GJZGRUSLSA-N 1 0 362.495 3.363 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000185322426 496728997 /nfs/dbraw/zinc/72/89/97/496728997.db2.gz XFDUKFWJBGIDNO-NWDGAFQWSA-N 1 0 368.886 3.366 20 10 FGCDRO CCC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000263904076 496759828 /nfs/dbraw/zinc/75/98/28/496759828.db2.gz DMHVZPMQHQKYFQ-UHFFFAOYSA-N 1 0 355.438 3.201 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000273274277 496760653 /nfs/dbraw/zinc/76/06/53/496760653.db2.gz OZLRRYLRXBDCDX-DYESRHJHSA-N 1 0 366.509 3.380 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000273274282 496760664 /nfs/dbraw/zinc/76/06/64/496760664.db2.gz OZLRRYLRXBDCDX-UWJYYQICSA-N 1 0 366.509 3.380 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000273288650 496765187 /nfs/dbraw/zinc/76/51/87/496765187.db2.gz RVXCQPDDPWYYEB-AVRDEDQJSA-N 1 0 354.494 3.168 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000277519426 496800391 /nfs/dbraw/zinc/80/03/91/496800391.db2.gz PDHOUPNHBZWBAB-XJKSGUPXSA-N 1 0 350.459 3.136 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000268923987 496824465 /nfs/dbraw/zinc/82/44/65/496824465.db2.gz VPWYNTZVOWWZRD-VFNWGFHPSA-N 1 0 364.493 3.242 20 10 FGCDRO COc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1O ZINC000264235885 496846998 /nfs/dbraw/zinc/84/69/98/496846998.db2.gz APKSHYZFLRCVAO-UHFFFAOYSA-N 1 0 354.450 3.317 20 10 FGCDRO CC(=O)NC1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000273611046 496853085 /nfs/dbraw/zinc/85/30/85/496853085.db2.gz VWBFAGNLXUCBDH-GWMXKSKGSA-N 1 0 355.276 3.253 20 10 FGCDRO COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000278430991 497111588 /nfs/dbraw/zinc/11/15/88/497111588.db2.gz UWQVSBCALNSACF-UEXGIBASSA-N 1 0 373.493 3.368 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237127108 497194801 /nfs/dbraw/zinc/19/48/01/497194801.db2.gz SPYICMXMSBDJIW-UHFFFAOYSA-N 1 0 365.437 3.351 20 10 FGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000265995579 497227812 /nfs/dbraw/zinc/22/78/12/497227812.db2.gz ZRLBFWQFFUYLHD-UHFFFAOYSA-N 1 0 368.525 3.223 20 10 FGCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1c(F)cccc1F ZINC000266297365 497298186 /nfs/dbraw/zinc/29/81/86/497298186.db2.gz LNIIDUYOUKZDBT-UGSOOPFHSA-N 1 0 351.349 3.001 20 10 FGCDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000275478681 497339421 /nfs/dbraw/zinc/33/94/21/497339421.db2.gz JALLFEZCGPRFOB-UGKGYDQZSA-N 1 0 373.541 3.168 20 10 FGCDRO FC(F)(F)CCN1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000272565983 497665233 /nfs/dbraw/zinc/66/52/33/497665233.db2.gz OEFGASPBEVKVNN-UHFFFAOYSA-N 1 0 371.447 3.030 20 10 FGCDRO Nc1ccc(CC(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000263004785 497679020 /nfs/dbraw/zinc/67/90/20/497679020.db2.gz XTTJHNYTXZEKAS-GOSISDBHSA-N 1 0 355.507 3.044 20 10 FGCDRO C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000272744197 497718248 /nfs/dbraw/zinc/71/82/48/497718248.db2.gz DDTQYHGWNJNMKU-GOSISDBHSA-N 1 0 370.541 3.469 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1C ZINC000277057451 497728832 /nfs/dbraw/zinc/72/88/32/497728832.db2.gz RBRHENJOOLMFOW-UHFFFAOYSA-N 1 0 353.871 3.350 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411782 497944124 /nfs/dbraw/zinc/94/41/24/497944124.db2.gz CDBISTPQCSWAND-LSDHHAIUSA-N 1 0 355.438 3.208 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000280968331 497969283 /nfs/dbraw/zinc/96/92/83/497969283.db2.gz IGFGBFQAZXZZHZ-PRWKNARSSA-N 1 0 360.317 3.415 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000280968310 497969690 /nfs/dbraw/zinc/96/96/90/497969690.db2.gz IGFGBFQAZXZZHZ-GIPWTMENSA-N 1 0 360.317 3.415 20 10 FGCDRO COC(=O)/C=C/c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301214502 498004150 /nfs/dbraw/zinc/00/41/50/498004150.db2.gz ZCTJCYCSZCUEHC-VMSUTVGLSA-N 1 0 373.453 3.236 20 10 FGCDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cc(C)ccc2O)CC1 ZINC000292680035 498107682 /nfs/dbraw/zinc/10/76/82/498107682.db2.gz APZMUBQSJGVXAP-UHFFFAOYSA-N 1 0 359.495 3.170 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCNc3ccc(Cl)cn3)CC2)cc1 ZINC000301453115 498117033 /nfs/dbraw/zinc/11/70/33/498117033.db2.gz RAFIPAPNXWCYBC-UHFFFAOYSA-N 1 0 360.889 3.368 20 10 FGCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289537470 498185272 /nfs/dbraw/zinc/18/52/72/498185272.db2.gz HWFHLDWBBQUBLP-CYBMUJFWSA-N 1 0 368.193 3.434 20 10 FGCDRO O=C1NC2(CCCC2)C(=O)N1c1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000289772528 498286540 /nfs/dbraw/zinc/28/65/40/498286540.db2.gz JUIGEMFPHBEIAT-UHFFFAOYSA-N 1 0 365.433 3.051 20 10 FGCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H](CO)c3ccccc3)cc2)CC1 ZINC000297138451 498330192 /nfs/dbraw/zinc/33/01/92/498330192.db2.gz NKRBXRQCAYISHN-QFIPXVFZSA-N 1 0 354.494 3.467 20 10 FGCDRO COCC1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCOCC1 ZINC000293385212 498367221 /nfs/dbraw/zinc/36/72/21/498367221.db2.gz IMJWYQPIDHNTIW-GFCCVEGCSA-N 1 0 358.276 3.249 20 10 FGCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000361364593 498379502 /nfs/dbraw/zinc/37/95/02/498379502.db2.gz BUAKSULRNIBAMS-DFQSSKMNSA-N 1 0 364.493 3.045 20 10 FGCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(C)n1-c1ccccn1 ZINC000361364594 498379759 /nfs/dbraw/zinc/37/97/59/498379759.db2.gz BUAKSULRNIBAMS-IHPCNDPISA-N 1 0 364.493 3.045 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1OC ZINC000365669180 498589444 /nfs/dbraw/zinc/58/94/44/498589444.db2.gz SDMGUBTWOJYXJP-PMACEKPBSA-N 1 0 363.498 3.032 20 10 FGCDRO O=S1(=O)CCC[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000294287631 498645363 /nfs/dbraw/zinc/64/53/63/498645363.db2.gz MQQHLQLCGFJDTN-ICSRJNTNSA-N 1 0 373.518 3.481 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287612024 498813965 /nfs/dbraw/zinc/81/39/65/498813965.db2.gz JIMJXVQNGJTIIN-LRDDRELGSA-N 1 0 360.329 3.376 20 10 FGCDRO Cn1cc([C@H](O)C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000294939034 498855893 /nfs/dbraw/zinc/85/58/93/498855893.db2.gz XXICAKWXXZMVEC-TZIWHRDSSA-N 1 0 351.450 3.123 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000283488359 498901677 /nfs/dbraw/zinc/90/16/77/498901677.db2.gz XTDOUOWTSMECIG-UQASEVPWSA-N 1 0 359.510 3.489 20 10 FGCDRO Cn1cc([C@H]2C[N@H+](Cc3c(O)cccc3Cl)CC23CCOCC3)cn1 ZINC000295085864 498904806 /nfs/dbraw/zinc/90/48/06/498904806.db2.gz SQJVTNYRUGJLAA-MRXNPFEDSA-N 1 0 361.873 3.175 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc2c(cc1O)CCCC2 ZINC000363857042 499026948 /nfs/dbraw/zinc/02/69/48/499026948.db2.gz PMSRQDUSMHEFDH-AUUYWEPGSA-N 1 0 355.482 3.188 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000363862384 499029829 /nfs/dbraw/zinc/02/98/29/499029829.db2.gz ITIAZRLUGWPIIF-FUHWJXTLSA-N 1 0 355.482 3.359 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000366699448 499037701 /nfs/dbraw/zinc/03/77/01/499037701.db2.gz VPSXCPQCXCESSQ-GAJHUEQPSA-N 1 0 365.521 3.485 20 10 FGCDRO CN(C)c1ccc(C2=CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000369803459 499131268 /nfs/dbraw/zinc/13/12/68/499131268.db2.gz BAEGRGHEQZVLNL-UHFFFAOYSA-N 1 0 368.525 3.036 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c1 ZINC000372587789 499150004 /nfs/dbraw/zinc/15/00/04/499150004.db2.gz ABJUDONCBXWKGK-MAUKXSAKSA-N 1 0 358.482 3.186 20 10 FGCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000370428095 499220086 /nfs/dbraw/zinc/22/00/86/499220086.db2.gz LYIUPDRORWZETK-CQSZACIVSA-N 1 0 364.442 3.000 20 10 FGCDRO CN(C(=[NH2+])NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CC1 ZINC000367811257 499235057 /nfs/dbraw/zinc/23/50/57/499235057.db2.gz UIQWNNACSWHLLX-GFCCVEGCSA-N 1 0 356.392 3.030 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370662588 499241135 /nfs/dbraw/zinc/24/11/35/499241135.db2.gz MTSMECVZNCPUBU-APWZRJJASA-N 1 0 352.482 3.103 20 10 FGCDRO COc1ccc(N2CCC(N(C)C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)cc1 ZINC000370766447 499252644 /nfs/dbraw/zinc/25/26/44/499252644.db2.gz LRZUXHMVGJUQBY-NDXORKPFSA-N 1 0 371.525 3.043 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000368612469 499313744 /nfs/dbraw/zinc/31/37/44/499313744.db2.gz JJPIRLUCEHCFEY-UHFFFAOYSA-N 1 0 364.449 3.469 20 10 FGCDRO O=C(NC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)c1ccc[nH]1 ZINC000371421695 499324870 /nfs/dbraw/zinc/32/48/70/499324870.db2.gz ZDTALBXYVRNXHK-UHFFFAOYSA-N 1 0 366.509 3.399 20 10 FGCDRO COc1cccc(C(=O)N2CCC[N@H+](Cc3cccc(C)c3O)CC2)c1 ZINC000371424534 499325279 /nfs/dbraw/zinc/32/52/79/499325279.db2.gz OPKJTHSWTUYMGX-UHFFFAOYSA-N 1 0 354.450 3.057 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@H]1CCOC1 ZINC000371971887 499385576 /nfs/dbraw/zinc/38/55/76/499385576.db2.gz BIHOMUSUVVPCBF-KKUMJFAQSA-N 1 0 358.404 3.426 20 10 FGCDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000372414858 499431836 /nfs/dbraw/zinc/43/18/36/499431836.db2.gz DJPAXBRJXWPGAK-OAHLLOKOSA-N 1 0 354.450 3.082 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000372945731 499444263 /nfs/dbraw/zinc/44/42/63/499444263.db2.gz MJJYLKYUBGQIGQ-ZDUSSCGKSA-N 1 0 355.862 3.072 20 10 FGCDRO C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000373521421 499474773 /nfs/dbraw/zinc/47/47/73/499474773.db2.gz KPDHDGARKGVAEL-IPJUCJBFSA-N 1 0 361.505 3.330 20 10 FGCDRO Cc1ccn(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)n1 ZINC000378351984 499505509 /nfs/dbraw/zinc/50/55/09/499505509.db2.gz VEJWCXFSOMMFJZ-UHFFFAOYSA-N 1 0 350.260 3.497 20 10 FGCDRO CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000375996079 499574612 /nfs/dbraw/zinc/57/46/12/499574612.db2.gz WYPLQYWWYXWKBL-QFIPXVFZSA-N 1 0 367.493 3.446 20 10 FGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000377230453 499672258 /nfs/dbraw/zinc/67/22/58/499672258.db2.gz BGZMSFISLYVUGW-MRXNPFEDSA-N 1 0 356.376 3.034 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418103819 500229824 /nfs/dbraw/zinc/22/98/24/500229824.db2.gz WTVKYBCXOIUSEZ-GOSISDBHSA-N 1 0 354.498 3.160 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3C[NH+](C)C)ccc21 ZINC000427717194 500423719 /nfs/dbraw/zinc/42/37/19/500423719.db2.gz FEGVGVHPNYBBBP-SFHVURJKSA-N 1 0 357.498 3.071 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472231866 502277843 /nfs/dbraw/zinc/27/78/43/502277843.db2.gz HQSGHFJAVXOSMH-SFHVURJKSA-N 1 0 368.525 3.360 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)ccc21 ZINC000590705217 506917855 /nfs/dbraw/zinc/91/78/55/506917855.db2.gz RFELROUZTKKYBX-GOSISDBHSA-N 1 0 371.525 3.365 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000736531443 598885842 /nfs/dbraw/zinc/88/58/42/598885842.db2.gz GYCIPUMIXYDZQC-UHFFFAOYSA-N 1 0 372.423 3.281 20 10 FGCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)cc1 ZINC000825879895 608521730 /nfs/dbraw/zinc/52/17/30/608521730.db2.gz RYGPJQQXOIPBMP-UHFFFAOYSA-N 1 0 354.483 3.159 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826268921 609336109 /nfs/dbraw/zinc/33/61/09/609336109.db2.gz SWJYJTRLFDDWKN-ZDUSSCGKSA-N 1 0 354.433 3.231 20 10 FGCDRO CC(C)(C)OC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000092454205 700435922 /nfs/dbraw/zinc/43/59/22/700435922.db2.gz AVXUPYOASHHPNC-UHFFFAOYSA-N 1 0 350.478 3.442 20 10 FGCDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122255998 700686785 /nfs/dbraw/zinc/68/67/85/700686785.db2.gz ZULHBIOFDXQXSQ-INIZCTEOSA-N 1 0 358.507 3.021 20 10 FGCDRO CS[C@@H](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000128185992 700771762 /nfs/dbraw/zinc/77/17/62/700771762.db2.gz GMQSMICBAPHTEX-SWLSCSKDSA-N 1 0 356.919 3.268 20 10 FGCDRO CCC[NH+]1CCC(N(C)C(=O)NCCCSc2nccs2)CC1 ZINC000154634710 705042726 /nfs/dbraw/zinc/04/27/26/705042726.db2.gz SQKLPJLGGIONBA-UHFFFAOYSA-N 1 0 356.561 3.141 20 10 FGCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000163978048 705322673 /nfs/dbraw/zinc/32/26/73/705322673.db2.gz AQIQWEJSMHWMTJ-UHFFFAOYSA-N 1 0 354.479 3.336 20 10 FGCDRO FC(F)(F)COc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000187572957 712746861 /nfs/dbraw/zinc/74/68/61/712746861.db2.gz GRICEWWEHDIROS-UHFFFAOYSA-N 1 0 352.356 3.290 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000187692625 712752025 /nfs/dbraw/zinc/75/20/25/712752025.db2.gz VCIBMZLFSRENGS-KGLIPLIRSA-N 1 0 350.459 3.308 20 10 FGCDRO Cc1cc2c(ncnc2N2CC[NH+](Cc3cc(F)ccc3O)CC2)s1 ZINC000188758395 712776627 /nfs/dbraw/zinc/77/66/27/712776627.db2.gz RDGRKPWHSOQNBW-UHFFFAOYSA-N 1 0 358.442 3.167 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1O ZINC000189920795 712803777 /nfs/dbraw/zinc/80/37/77/712803777.db2.gz JBCTWECKLBLAOI-UKRRQHHQSA-N 1 0 350.459 3.136 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000245796106 713612031 /nfs/dbraw/zinc/61/20/31/713612031.db2.gz XABQPPYGDUZODB-RTBURBONSA-N 1 0 352.544 3.320 20 10 FGCDRO C[C@@H](N)c1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000327192472 713822048 /nfs/dbraw/zinc/82/20/48/713822048.db2.gz BHICLCCUIOYRIJ-CQSZACIVSA-N 1 0 358.511 3.425 20 10 FGCDRO COCCN(CC[NH2+][C@@H](C)c1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000385490226 713983533 /nfs/dbraw/zinc/98/35/33/713983533.db2.gz JAISQGVKIDJVMH-HNNXBMFYSA-N 1 0 352.475 3.235 20 10 FGCDRO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779339697 724408414 /nfs/dbraw/zinc/40/84/14/724408414.db2.gz FMOLYDYXNKBKOK-MAUKXSAKSA-N 1 0 362.905 3.275 20 10 FGCDRO CN(CC[N@H+](C)Cc1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000779595960 724418939 /nfs/dbraw/zinc/41/89/39/724418939.db2.gz CATQQRUKRCXGAI-UHFFFAOYSA-N 1 0 373.291 3.453 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1F ZINC000769527795 723689064 /nfs/dbraw/zinc/68/90/64/723689064.db2.gz SCQLPUOBHUBGOT-GOSISDBHSA-N 1 0 350.478 3.442 20 10 FGCDRO CN1CCN([C@H](C[NH2+]Cc2cc(Cl)ccc2O)c2cccs2)CC1 ZINC000725841505 722424563 /nfs/dbraw/zinc/42/45/63/722424563.db2.gz LDGDVPKIIFPWQB-MRXNPFEDSA-N 1 0 365.930 3.185 20 10 FGCDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000731871058 722478825 /nfs/dbraw/zinc/47/88/25/722478825.db2.gz VQNUSEAMNVITPS-UHFFFAOYSA-N 1 0 363.571 3.368 20 10 FGCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329118 722495678 /nfs/dbraw/zinc/49/56/78/722495678.db2.gz NBZAZOSYBOAHOO-HNNXBMFYSA-N 1 0 361.364 3.252 20 10 FGCDRO CCc1cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740866316 722538713 /nfs/dbraw/zinc/53/87/13/722538713.db2.gz BLGSPDMBRYMUII-HNNXBMFYSA-N 1 0 353.528 3.119 20 10 FGCDRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1=CC(=O)CS1 ZINC000753502118 722901792 /nfs/dbraw/zinc/90/17/92/722901792.db2.gz BLVQANMKRRHGJR-RYQLBKOJSA-N 1 0 356.491 3.484 20 10 FGCDRO OCC[C@H]1CSCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753548550 722903784 /nfs/dbraw/zinc/90/37/84/722903784.db2.gz LXNYLJHFKVRAJJ-SFHVURJKSA-N 1 0 359.491 3.271 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000753733510 722910917 /nfs/dbraw/zinc/91/09/17/722910917.db2.gz VFFBROGWTVAISJ-WBVHZDCISA-N 1 0 368.518 3.434 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1cc(F)ccc1O ZINC000756344933 722963123 /nfs/dbraw/zinc/96/31/23/722963123.db2.gz VAXSCTFDLGDIQJ-PBHICJAKSA-N 1 0 363.502 3.232 20 10 FGCDRO C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756408962 722964100 /nfs/dbraw/zinc/96/41/00/722964100.db2.gz UYUWGNFIYBUXFP-ZDUSSCGKSA-N 1 0 360.329 3.377 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000756495017 722965631 /nfs/dbraw/zinc/96/56/31/722965631.db2.gz IWVAHHOTEUMVIH-ZDUSSCGKSA-N 1 0 350.409 3.462 20 10 FGCDRO C[C@@H]([NH2+]CCCNc1ncccn1)c1ccc(Br)cc1O ZINC000756641076 722968136 /nfs/dbraw/zinc/96/81/36/722968136.db2.gz FWZMYWDYEKQVQL-LLVKDONJSA-N 1 0 351.248 3.098 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(Br)cc1O ZINC000756661668 722968428 /nfs/dbraw/zinc/96/84/28/722968428.db2.gz SLUNMNFXCRRMOP-RYUDHWBXSA-N 1 0 354.244 3.250 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1O ZINC000790483897 723145517 /nfs/dbraw/zinc/14/55/17/723145517.db2.gz AFVXSIPWAMNUQE-HNNXBMFYSA-N 1 0 371.319 3.373 20 10 FGCDRO Cc1ccsc1CNC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000762937750 723295799 /nfs/dbraw/zinc/29/57/99/723295799.db2.gz NXJJZANQTUIPGK-UHFFFAOYSA-N 1 0 357.523 3.403 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000764772271 723444131 /nfs/dbraw/zinc/44/41/31/723444131.db2.gz ZWKSWASMSXAKSO-OAHLLOKOSA-N 1 0 361.511 3.365 20 10 FGCDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)cc1Cl ZINC000764965230 723464293 /nfs/dbraw/zinc/46/42/93/723464293.db2.gz UFOJYRRJTNDRSN-YSSFQJQWSA-N 1 0 363.933 3.454 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CCOCC1 ZINC000765128949 723482903 /nfs/dbraw/zinc/48/29/03/723482903.db2.gz YVZCLRFBKPCVFI-OWCLPIDISA-N 1 0 350.478 3.344 20 10 FGCDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977935 723549497 /nfs/dbraw/zinc/54/94/97/723549497.db2.gz KPOHKWCBHZMNCB-VQTJNVASSA-N 1 0 364.555 3.226 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 ZINC000765977374 723549504 /nfs/dbraw/zinc/54/95/04/723549504.db2.gz GUKICEYVWBYAQT-HXUWFJFHSA-N 1 0 358.507 3.162 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000765980300 723549702 /nfs/dbraw/zinc/54/97/02/723549702.db2.gz YHICRNYRPZHUMY-OAHLLOKOSA-N 1 0 364.536 3.142 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000765994722 723550548 /nfs/dbraw/zinc/55/05/48/723550548.db2.gz RFEFINIBBFBEDE-KDOFPFPSSA-N 1 0 352.906 3.415 20 10 FGCDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765995753 723550643 /nfs/dbraw/zinc/55/06/43/723550643.db2.gz WXXMFTXLQIQPHC-IIDMSEBBSA-N 1 0 352.906 3.415 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1O ZINC000766490048 723576885 /nfs/dbraw/zinc/57/68/85/723576885.db2.gz DSVDWYGVRVXSAZ-LBPRGKRZSA-N 1 0 364.804 3.088 20 10 FGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000795658260 723604949 /nfs/dbraw/zinc/60/49/49/723604949.db2.gz SEDJMIQOLDNGBK-AWEZNQCLSA-N 1 0 358.404 3.290 20 10 FGCDRO C[C@@H]1SCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768445200 723657695 /nfs/dbraw/zinc/65/76/95/723657695.db2.gz GKWFBARQYRDRLQ-GMVOTWDCSA-N 1 0 357.475 3.497 20 10 FGCDRO COc1cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)ccc1SC ZINC000768444920 723657771 /nfs/dbraw/zinc/65/77/71/723657771.db2.gz OJPICJSRGKPRDJ-INIZCTEOSA-N 1 0 361.463 3.181 20 10 FGCDRO O=C(CCc1ccco1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768910808 723671926 /nfs/dbraw/zinc/67/19/26/723671926.db2.gz ABYTYTNYBCGEIX-MRXNPFEDSA-N 1 0 362.857 3.352 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000769234024 723680163 /nfs/dbraw/zinc/68/01/63/723680163.db2.gz XLROHGNIBWGGPF-AWEZNQCLSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2ccc3c(c2)COC3)c1O ZINC000769929352 723701192 /nfs/dbraw/zinc/70/11/92/723701192.db2.gz YQWFFRIHOYBCND-UHFFFAOYSA-N 1 0 364.239 3.483 20 10 FGCDRO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773160842 723777825 /nfs/dbraw/zinc/77/78/25/723777825.db2.gz DFXCEFPDTAQWRH-KBXCAEBGSA-N 1 0 360.527 3.477 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000773408165 723784216 /nfs/dbraw/zinc/78/42/16/723784216.db2.gz GDWVWXDRNYCXKA-LLVKDONJSA-N 1 0 364.804 3.088 20 10 FGCDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000798002043 723897285 /nfs/dbraw/zinc/89/72/85/723897285.db2.gz VXKLJQAMXPLMKJ-ZDUSSCGKSA-N 1 0 362.857 3.064 20 10 FGCDRO COCC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774821657 723933049 /nfs/dbraw/zinc/93/30/49/723933049.db2.gz ULRJKDWLOUEUPL-UHFFFAOYSA-N 1 0 352.412 3.019 20 10 FGCDRO CCc1nncn1CC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000775514298 723997562 /nfs/dbraw/zinc/99/75/62/723997562.db2.gz YKYFSWVWQWGBSX-ZDUSSCGKSA-N 1 0 353.264 3.050 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000775686332 724024631 /nfs/dbraw/zinc/02/46/31/724024631.db2.gz HVPBBXJNJBCRCN-OAHLLOKOSA-N 1 0 367.287 3.050 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000776020924 724099118 /nfs/dbraw/zinc/09/91/18/724099118.db2.gz COOSPMQSNRREIT-AWEZNQCLSA-N 1 0 358.404 3.058 20 10 FGCDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000800222991 724168500 /nfs/dbraw/zinc/16/85/00/724168500.db2.gz NPNUIHMFXTXWMC-AWEZNQCLSA-N 1 0 360.420 3.445 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785988838 724953541 /nfs/dbraw/zinc/95/35/41/724953541.db2.gz PDOKXGWWNAHMRC-WDMOLILDSA-N 1 0 358.276 3.145 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000806134556 725117283 /nfs/dbraw/zinc/11/72/83/725117283.db2.gz ZTYIVYAQOSVZGD-JLJPHGGASA-N 1 0 358.404 3.284 20 10 FGCDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)c1 ZINC000808678358 725212988 /nfs/dbraw/zinc/21/29/88/725212988.db2.gz PISQZWAZXGAVMR-ZDUSSCGKSA-N 1 0 362.857 3.330 20 10 FGCDRO CC[C@H]([NH2+][C@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000809663667 725257419 /nfs/dbraw/zinc/25/74/19/725257419.db2.gz SPPOQHLVMOMMOT-QAPCUYQASA-N 1 0 362.495 3.190 20 10 FGCDRO C[NH+](C)CCN(Cc1ccccn1)Cc1cc(Br)ccc1O ZINC000809742256 725264217 /nfs/dbraw/zinc/26/42/17/725264217.db2.gz PVMFGXNZQXQCAT-UHFFFAOYSA-N 1 0 364.287 3.114 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000809767802 725266591 /nfs/dbraw/zinc/26/65/91/725266591.db2.gz UOESEPKYJPPDGZ-DOMZBBRYSA-N 1 0 369.303 3.079 20 10 FGCDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810226622 725298294 /nfs/dbraw/zinc/29/82/94/725298294.db2.gz HNGCLBBICRZXMU-CYBMUJFWSA-N 1 0 365.417 3.277 20 10 FGCDRO COC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812536055 725399678 /nfs/dbraw/zinc/39/96/78/725399678.db2.gz OXUAPZAJLGNUPS-JJRVBVJISA-N 1 0 368.905 3.045 20 10 FGCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Br)c(F)c1 ZINC000813792432 726914679 /nfs/dbraw/zinc/91/46/79/726914679.db2.gz PGKUSXKPTMHJKL-MRXNPFEDSA-N 1 0 366.230 3.346 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000816499508 727168572 /nfs/dbraw/zinc/16/85/72/727168572.db2.gz SIIFUGYWFUUMNJ-UHFFFAOYSA-N 1 0 356.869 3.119 20 10 FGCDRO [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000816515687 727170483 /nfs/dbraw/zinc/17/04/83/727170483.db2.gz HTJPUJNSFPKZRU-UHFFFAOYSA-N 1 0 356.869 3.262 20 10 FGCDRO C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817963988 727289883 /nfs/dbraw/zinc/28/98/83/727289883.db2.gz ZXGLYSJXBQGCIZ-YUMQZZPRSA-N 1 0 366.097 3.163 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCNc2cnccn2)cc1 ZINC000823984542 729314888 /nfs/dbraw/zinc/31/48/88/729314888.db2.gz KAKNQPGEAKVXHM-UHFFFAOYSA-N 1 0 353.495 3.376 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000824143583 729321175 /nfs/dbraw/zinc/32/11/75/729321175.db2.gz WDNBIYIZNHVINB-HXUWFJFHSA-N 1 0 360.523 3.262 20 10 FGCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824297530 729329277 /nfs/dbraw/zinc/32/92/77/729329277.db2.gz WOSSFXFNBIBACA-UHFFFAOYSA-N 1 0 360.523 3.404 20 10 FGCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824601632 729349605 /nfs/dbraw/zinc/34/96/05/729349605.db2.gz KYLZVUFLGOVMGA-LBPRGKRZSA-N 1 0 350.260 3.268 20 10 FGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000824632267 729351866 /nfs/dbraw/zinc/35/18/66/729351866.db2.gz BWFFXJSFLQSIQY-LBPRGKRZSA-N 1 0 368.886 3.194 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1F ZINC000824654668 729353164 /nfs/dbraw/zinc/35/31/64/729353164.db2.gz PPNHKMDEMGJIGC-QKLQHJQFSA-N 1 0 350.478 3.034 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690578 729355163 /nfs/dbraw/zinc/35/51/63/729355163.db2.gz HAOFQIHJLXNTRX-FQEVSTJZSA-N 1 0 360.885 3.342 20 10 FGCDRO Fc1cc(OCC[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000824790233 729358978 /nfs/dbraw/zinc/35/89/78/729358978.db2.gz OLCCHOKUZCOQRE-UHFFFAOYSA-N 1 0 364.848 3.484 20 10 FGCDRO COc1cccc(C[N@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)c1O ZINC000824931775 729365572 /nfs/dbraw/zinc/36/55/72/729365572.db2.gz FXOMTSPANAQOKS-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO O=C1CCCCCN1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825058914 729369291 /nfs/dbraw/zinc/36/92/91/729369291.db2.gz NIUKXGMICSOEOC-UHFFFAOYSA-N 1 0 355.276 3.037 20 10 FGCDRO Cc1ccc(C[C@H](CO)C[NH2+]Cc2ccccc2O)cc1Br ZINC000825073147 729369759 /nfs/dbraw/zinc/36/97/59/729369759.db2.gz RVTBZIYVDWUMSG-HNNXBMFYSA-N 1 0 364.283 3.404 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]Cc2cnc(C)cc2C)c1O ZINC000825221419 729374874 /nfs/dbraw/zinc/37/48/74/729374874.db2.gz LJKASPNOKQGRIM-UHFFFAOYSA-N 1 0 351.244 3.465 20 10 FGCDRO O=C(NCCC[NH2+]Cc1ccc(Br)cc1O)c1cccs1 ZINC000825274630 729376536 /nfs/dbraw/zinc/37/65/36/729376536.db2.gz WRUYYWWZUFUCLU-UHFFFAOYSA-N 1 0 369.284 3.126 20 10 FGCDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000825563499 729387861 /nfs/dbraw/zinc/38/78/61/729387861.db2.gz YLIGNQCOVPFPOR-GOSISDBHSA-N 1 0 373.250 3.251 20 10 FGCDRO OC[C@]1([NH2+]Cc2ccc(Br)cc2O)CCCc2ccccc21 ZINC000825773665 729395005 /nfs/dbraw/zinc/39/50/05/729395005.db2.gz MWTHUCPHLUHLLZ-GOSISDBHSA-N 1 0 362.267 3.468 20 10 FGCDRO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000826952823 729419991 /nfs/dbraw/zinc/41/99/91/729419991.db2.gz UOHODFXXVFWFTJ-FQEVSTJZSA-N 1 0 360.523 3.358 20 10 FGCDRO CNC(=O)CC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCCCC1 ZINC000827590917 729432080 /nfs/dbraw/zinc/43/20/80/729432080.db2.gz GRWYJTZHUPJXFW-UHFFFAOYSA-N 1 0 354.878 3.230 20 10 FGCDRO CCN(CC)c1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000827855828 729436046 /nfs/dbraw/zinc/43/60/46/729436046.db2.gz JEFPFFIVPBUVLJ-GOSISDBHSA-N 1 0 351.510 3.215 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)c2cccc(Cl)c2)cc1 ZINC000832267598 729701034 /nfs/dbraw/zinc/70/10/34/729701034.db2.gz XAWQTEDLXOOLKV-SFHVURJKSA-N 1 0 359.901 3.500 20 10 FGCDRO C[C@@H]1CCc2c(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)csc2C1 ZINC000832284314 729702145 /nfs/dbraw/zinc/70/21/45/729702145.db2.gz ILANDPXFWJPHRG-ACJLOTCBSA-N 1 0 357.523 3.369 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000834828412 729837410 /nfs/dbraw/zinc/83/74/10/729837410.db2.gz UACOIDOVFQKERT-APWZRJJASA-N 1 0 358.507 3.364 20 10 FGCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834877958 729841386 /nfs/dbraw/zinc/84/13/86/729841386.db2.gz HHWQMBHXPUVJAZ-SJLPKXTDSA-N 1 0 367.559 3.045 20 10 FGCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(C)C ZINC000834880118 729841833 /nfs/dbraw/zinc/84/18/33/729841833.db2.gz JWJCOOKJEPHUDG-NHYWBVRUSA-N 1 0 357.292 3.308 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000840893537 730188995 /nfs/dbraw/zinc/18/89/95/730188995.db2.gz KVBNHFBHEBBXRK-MUYFXNHWSA-N 1 0 366.571 3.185 20 10 FGCDRO CCOC(=O)c1csc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)n1 ZINC000840939484 730194438 /nfs/dbraw/zinc/19/44/38/730194438.db2.gz NVRSYPDPTQZDEP-UHFFFAOYSA-N 1 0 354.859 3.320 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2sccc2Br)cc1 ZINC000841041763 730205333 /nfs/dbraw/zinc/20/53/33/730205333.db2.gz BKPQVHDNZQRFRJ-CQSZACIVSA-N 1 0 354.317 3.366 20 10 FGCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841746409 730270175 /nfs/dbraw/zinc/27/01/75/730270175.db2.gz GHGDASWVFAQEAG-VXGBXAGGSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752688 730270711 /nfs/dbraw/zinc/27/07/11/730270711.db2.gz VBGRXQCJUVUDNH-MORSLUCNSA-N 1 0 352.906 3.464 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)cc2Cl)C1 ZINC000841896303 730283915 /nfs/dbraw/zinc/28/39/15/730283915.db2.gz KHMPRJBFQRXINC-GOEBONIOSA-N 1 0 364.921 3.209 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC([NH3+])(CC)CC ZINC000841952381 730285477 /nfs/dbraw/zinc/28/54/77/730285477.db2.gz RLVHLDRVOXAMPM-UHFFFAOYSA-N 1 0 372.307 3.204 20 10 FGCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C1 ZINC000842671104 730528458 /nfs/dbraw/zinc/52/84/58/730528458.db2.gz VIYPPBPSBKJVNI-HNNXBMFYSA-N 1 0 351.441 3.056 20 10 FGCDRO CNC(=O)[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)Cc1ccc(F)cc1C ZINC000842723321 730535671 /nfs/dbraw/zinc/53/56/71/730535671.db2.gz XACJZJQOEROXHF-OAHLLOKOSA-N 1 0 364.848 3.188 20 10 FGCDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)ccc1O ZINC000844908405 730788068 /nfs/dbraw/zinc/78/80/68/730788068.db2.gz SKOPVRCQNQCHCE-KRWDZBQOSA-N 1 0 361.873 3.018 20 10 FGCDRO CCN1C[C@H](C[NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1=O ZINC000846091256 730928156 /nfs/dbraw/zinc/92/81/56/730928156.db2.gz KVISZOVODIAAIM-KRWDZBQOSA-N 1 0 357.523 3.343 20 10 FGCDRO CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)ccc1O ZINC000846210891 730936799 /nfs/dbraw/zinc/93/67/99/730936799.db2.gz CWRLSBPQJZQZDL-HOCLYGCPSA-N 1 0 358.276 3.127 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCC2(CO)CCC2)c1O ZINC000848555430 731181083 /nfs/dbraw/zinc/18/10/83/731181083.db2.gz ASSAZGXDHYOOMS-NSHDSACASA-N 1 0 358.276 3.367 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000848568936 731182912 /nfs/dbraw/zinc/18/29/12/731182912.db2.gz AWEAPWQCLDRKNC-TZMCWYRMSA-N 1 0 369.259 3.179 20 10 FGCDRO Oc1ccc(Br)cc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000849352468 731251753 /nfs/dbraw/zinc/25/17/53/731251753.db2.gz MCRFNEWXAPWQHC-QGZVFWFLSA-N 1 0 363.255 3.428 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ncc(Br)s3)C2)cc1 ZINC000850347147 731345284 /nfs/dbraw/zinc/34/52/84/731345284.db2.gz OQJHAZJWXKGUBH-LLVKDONJSA-N 1 0 368.300 3.283 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(Br)o3)C2)cc1 ZINC000850346929 731345333 /nfs/dbraw/zinc/34/53/33/731345333.db2.gz ZQOHRAKQGMQHQK-GFCCVEGCSA-N 1 0 351.244 3.419 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000850520668 731368980 /nfs/dbraw/zinc/36/89/80/731368980.db2.gz FPEVLXAUUCBQEA-PELKAZGASA-N 1 0 366.202 3.238 20 10 FGCDRO C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000850556874 731372916 /nfs/dbraw/zinc/37/29/16/731372916.db2.gz KJTKFCYQJSRJTR-IUODEOHRSA-N 1 0 369.303 3.059 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)cc1O ZINC000850559085 731373278 /nfs/dbraw/zinc/37/32/78/731373278.db2.gz XCYDHSYZZBKVIN-NWDGAFQWSA-N 1 0 369.303 3.452 20 10 FGCDRO O=C(NCCCSc1nccs1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000853855993 731763529 /nfs/dbraw/zinc/76/35/29/731763529.db2.gz NHYCVPJVMDOLIM-AWEZNQCLSA-N 1 0 368.572 3.332 20 10 FGCDRO O=C1CCCCCN1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858088023 732178951 /nfs/dbraw/zinc/17/89/51/732178951.db2.gz YHGZYRUMCDPYJY-UHFFFAOYSA-N 1 0 355.276 3.037 20 10 FGCDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000858473871 732218432 /nfs/dbraw/zinc/21/84/32/732218432.db2.gz RFAPKTXMEMIDGY-ZWNOBZJWSA-N 1 0 354.244 3.376 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000858526469 732223952 /nfs/dbraw/zinc/22/39/52/732223952.db2.gz CGLUIBJSFRKWMU-JSGCOSHPSA-N 1 0 370.877 3.332 20 10 FGCDRO CCCOCCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000859008054 732267846 /nfs/dbraw/zinc/26/78/46/732267846.db2.gz QFWNBHMRGAAMLD-MRXNPFEDSA-N 1 0 370.877 3.163 20 10 FGCDRO Oc1cccc(Br)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000862237237 732793454 /nfs/dbraw/zinc/79/34/54/732793454.db2.gz YFHFHLRNXCTEOA-CQSZACIVSA-N 1 0 370.287 3.315 20 10 FGCDRO CC(=O)NC1CCC([N@H+](C)Cc2c(O)cccc2Br)CC1 ZINC000862321938 732807713 /nfs/dbraw/zinc/80/77/13/732807713.db2.gz CNFKWQSCDSFKGO-UHFFFAOYSA-N 1 0 355.276 3.034 20 10 FGCDRO C[NH+]1CCN(c2ccc(CN[C@H](c3nccs3)C(F)(F)F)cc2)CC1 ZINC000862432351 732834588 /nfs/dbraw/zinc/83/45/88/732834588.db2.gz ZUNCCZACLMTRGW-OAHLLOKOSA-N 1 0 370.444 3.288 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1 ZINC000862481634 732839338 /nfs/dbraw/zinc/83/93/38/732839338.db2.gz IWYZNCJSVABQLK-GOSISDBHSA-N 1 0 362.857 3.049 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)c2c1c(F)ccc2O ZINC000866431573 733348775 /nfs/dbraw/zinc/34/87/75/733348775.db2.gz XBKFCVCJOLHQQH-KWQFWETISA-N 1 0 354.223 3.365 20 10 FGCDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)sn1 ZINC000876946879 736166532 /nfs/dbraw/zinc/16/65/32/736166532.db2.gz XFRARYGAPBARDP-BETUJISGSA-N 1 0 365.474 3.194 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000877034029 736178196 /nfs/dbraw/zinc/17/81/96/736178196.db2.gz WCOVPACTTMBSJF-WWDZGPRUSA-N 1 0 360.889 3.200 20 10 FGCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccc(Cl)nn2)C1 ZINC000877033782 736178231 /nfs/dbraw/zinc/17/82/31/736178231.db2.gz NRELKGSCJUJDRF-HNNXBMFYSA-N 1 0 367.280 3.243 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)cc1OC ZINC000877664572 736701819 /nfs/dbraw/zinc/70/18/19/736701819.db2.gz SXKWSWRGLAORMA-HNNXBMFYSA-N 1 0 369.820 3.415 20 10 FGCDRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649754 737022853 /nfs/dbraw/zinc/02/28/53/737022853.db2.gz FUTRRZKCNGRRKE-VXGBXAGGSA-N 1 0 362.451 3.227 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2c3c(nn2C)CCSC3)cc1F ZINC000882989747 737509056 /nfs/dbraw/zinc/50/90/56/737509056.db2.gz GUWPWGLZBRLPLM-UHFFFAOYSA-N 1 0 362.518 3.485 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNCc3ncc(C(C)(C)C)s3)cc2)CC1 ZINC000883283331 737546933 /nfs/dbraw/zinc/54/69/33/737546933.db2.gz BEIGDUYVEARCMH-UHFFFAOYSA-N 1 0 358.555 3.482 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNCc3csc(C(C)(C)C)n3)cc2)CC1 ZINC000883283626 737547141 /nfs/dbraw/zinc/54/71/41/737547141.db2.gz MEMFBRNOBYXORH-UHFFFAOYSA-N 1 0 358.555 3.482 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1F ZINC000886300249 739241982 /nfs/dbraw/zinc/24/19/82/739241982.db2.gz DDTPADBZDXUPON-QGZVFWFLSA-N 1 0 350.478 3.347 20 10 FGCDRO CC[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000886670580 739280550 /nfs/dbraw/zinc/28/05/50/739280550.db2.gz ROSQHKHCXQUTCE-GUTXKFCHSA-N 1 0 358.276 3.125 20 10 FGCDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747507 739290849 /nfs/dbraw/zinc/29/08/49/739290849.db2.gz WLTYGPYIUXIPGE-OAHLLOKOSA-N 1 0 357.523 3.171 20 10 FGCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCC2(F)F)[NH+](C)C)cc1 ZINC000891243155 739886162 /nfs/dbraw/zinc/88/61/62/739886162.db2.gz JPELBYCAMNFNBE-RDJZCZTQSA-N 1 0 353.457 3.297 20 10 FGCDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCCCSc2nccs2)C1 ZINC000891674938 739926117 /nfs/dbraw/zinc/92/61/17/739926117.db2.gz VAWMWMDACMEJEI-INIZCTEOSA-N 1 0 356.561 3.032 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccccc2Br)c(O)c1OC ZINC000892744778 740040087 /nfs/dbraw/zinc/04/00/87/740040087.db2.gz FIDFTRXBYPVOKF-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892743229 740040147 /nfs/dbraw/zinc/04/01/47/740040147.db2.gz LLXWTSZXSVWWIW-WMZOPIPTSA-N 1 0 364.555 3.368 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c(O)c1OC ZINC000894285902 742263162 /nfs/dbraw/zinc/26/31/62/742263162.db2.gz YLLSAJAJZHEIHP-INIZCTEOSA-N 1 0 364.873 3.455 20 10 FGCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H]3C[C@]3(C)Br)C2)cc1 ZINC000895006081 742363282 /nfs/dbraw/zinc/36/32/82/742363282.db2.gz KLFMGMFEHWBYAM-CPUCHLNUSA-N 1 0 353.304 3.285 20 10 FGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CS1 ZINC000895813369 742456390 /nfs/dbraw/zinc/45/63/90/742456390.db2.gz INLWEYNBDRHFDG-PKOBYXMFSA-N 1 0 361.555 3.008 20 10 FGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CS1 ZINC000895813366 742456675 /nfs/dbraw/zinc/45/66/75/742456675.db2.gz INLWEYNBDRHFDG-HKUYNNGSSA-N 1 0 361.555 3.008 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2F)c(O)c1OC ZINC000895833362 742459429 /nfs/dbraw/zinc/45/94/29/742459429.db2.gz OBNVTUXIHMGQLV-UHFFFAOYSA-N 1 0 357.328 3.440 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000903235807 743827327 /nfs/dbraw/zinc/82/73/27/743827327.db2.gz VWHFPKMFJCKLBG-GFCCVEGCSA-N 1 0 368.886 3.195 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(O)c1C ZINC000903433917 743850477 /nfs/dbraw/zinc/85/04/77/743850477.db2.gz GXVBGFASOVQVHM-QWHCGFSZSA-N 1 0 362.861 3.088 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3nccc4c3CCCC4)SC2=S)CC1 ZINC000905002811 743987319 /nfs/dbraw/zinc/98/73/19/743987319.db2.gz QXHAJFOZPSFYFU-ATVHPVEESA-N 1 0 373.547 3.256 20 10 FGCDRO Cc1cc(C(=O)NCC[NH+](C)C)c(C)n1-c1cccc(Br)c1 ZINC000920398822 758549092 /nfs/dbraw/zinc/54/90/92/758549092.db2.gz DQAWAWVWIBLACC-UHFFFAOYSA-N 1 0 364.287 3.148 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2O ZINC000926909602 759843719 /nfs/dbraw/zinc/84/37/19/759843719.db2.gz YSBINYWDCSYRMO-SWLSCSKDSA-N 1 0 363.454 3.315 20 10 FGCDRO C[C@@H]([NH2+]CCOC1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000927075199 759886802 /nfs/dbraw/zinc/88/68/02/759886802.db2.gz BWWLXUVQJLFXTO-OAHLLOKOSA-N 1 0 368.905 3.023 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1cc(Br)ccc1O ZINC000927155215 759909395 /nfs/dbraw/zinc/90/93/95/759909395.db2.gz JBINHEVEMCZUOI-CWRNSKLLSA-N 1 0 370.287 3.125 20 10 FGCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779049480 724384085 /nfs/dbraw/zinc/38/40/85/724384085.db2.gz HRNPSCXFKQXGFN-TUKIKUTGSA-N 1 0 358.276 3.308 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000048780540 493845709 /nfs/dbraw/zinc/84/57/09/493845709.db2.gz LRKBZFSBPSTRMV-HNNXBMFYSA-N 1 0 362.495 3.105 20 10 FGCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000090183165 494454333 /nfs/dbraw/zinc/45/43/33/494454333.db2.gz GSCBNUWZZVWRLT-INIZCTEOSA-N 1 0 350.528 3.152 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000121183925 494634879 /nfs/dbraw/zinc/63/48/79/494634879.db2.gz DACSTVURFQXIGJ-NSHDSACASA-N 1 0 366.259 3.266 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000047824839 494779977 /nfs/dbraw/zinc/77/99/77/494779977.db2.gz VDYSGSMVGPAYDX-UHFFFAOYSA-N 1 0 374.506 3.078 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCc1nc(-c3ccc(Cl)cc3)no1)OCO2 ZINC000109349992 494862408 /nfs/dbraw/zinc/86/24/08/494862408.db2.gz AWUNOTQHWFGDNP-UHFFFAOYSA-N 1 0 373.796 3.157 20 10 FGCDRO COc1ccc(N2CC[NH+](CCCN[C@H](C)c3nccs3)CC2)cc1 ZINC000093370514 494881615 /nfs/dbraw/zinc/88/16/15/494881615.db2.gz RAMIWXSIZIEAFV-MRXNPFEDSA-N 1 0 360.527 3.015 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O ZINC000124174328 495245794 /nfs/dbraw/zinc/24/57/94/495245794.db2.gz XXFIZJRFZAZMBL-MRXNPFEDSA-N 1 0 356.470 3.098 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124807339 495346480 /nfs/dbraw/zinc/34/64/80/495346480.db2.gz AKVAKVJXCWDEHL-JLTOFOAXSA-N 1 0 362.420 3.186 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000182672262 495658497 /nfs/dbraw/zinc/65/84/97/495658497.db2.gz YOICLCSYVKMNPR-MRXNPFEDSA-N 1 0 358.869 3.492 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154596702 495666518 /nfs/dbraw/zinc/66/65/18/495666518.db2.gz MGITVXLSIGCASM-FZKQIMNGSA-N 1 0 350.459 3.108 20 10 FGCDRO CC[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151249652 495783228 /nfs/dbraw/zinc/78/32/28/495783228.db2.gz GDDAATLWQXNQQG-FQEVSTJZSA-N 1 0 354.498 3.225 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000180804360 496153366 /nfs/dbraw/zinc/15/33/66/496153366.db2.gz YNTSTZBKAKLYAY-CYBMUJFWSA-N 1 0 355.360 3.453 20 10 FGCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161366966 496160957 /nfs/dbraw/zinc/16/09/57/496160957.db2.gz AUXDXKSKUXKVKB-VFNWGFHPSA-N 1 0 374.456 3.055 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000172115772 496171891 /nfs/dbraw/zinc/17/18/91/496171891.db2.gz RZDSXCNEZSIKLB-CALCHBBNSA-N 1 0 368.477 3.240 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000156284237 496205562 /nfs/dbraw/zinc/20/55/62/496205562.db2.gz NAVNHDKKYDUZIK-DLBZAZTESA-N 1 0 359.514 3.043 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c1O ZINC000186959575 496229344 /nfs/dbraw/zinc/22/93/44/496229344.db2.gz ADTBNNVPASUTAC-LLVKDONJSA-N 1 0 367.243 3.137 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3cnc4cnccn34)C2)cc1 ZINC000156926717 496366963 /nfs/dbraw/zinc/36/69/63/496366963.db2.gz ZFBJYLXFHCYSCY-AWEZNQCLSA-N 1 0 373.407 3.089 20 10 FGCDRO CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000181562634 496447769 /nfs/dbraw/zinc/44/77/69/496447769.db2.gz FSYFYOYPLMSONB-VDGAXYAQSA-N 1 0 362.489 3.080 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000163395230 496510614 /nfs/dbraw/zinc/51/06/14/496510614.db2.gz GRKCKCZPISUVSX-DZGCQCFKSA-N 1 0 358.404 3.057 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn(C)c1 ZINC000163402806 496511646 /nfs/dbraw/zinc/51/16/46/496511646.db2.gz PQWZJNVXAQFPDV-CYBMUJFWSA-N 1 0 368.403 3.126 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000178665243 496532625 /nfs/dbraw/zinc/53/26/25/496532625.db2.gz QTWHILFGSXXYBB-HZPDHXFCSA-N 1 0 368.481 3.426 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157717023 496537005 /nfs/dbraw/zinc/53/70/05/496537005.db2.gz KTNDNJPNRSOSDB-VBKZILBWSA-N 1 0 362.420 3.186 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185278511 496723606 /nfs/dbraw/zinc/72/36/06/496723606.db2.gz OACBFESUJWNQPB-MRXNPFEDSA-N 1 0 372.488 3.364 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000182313268 496729296 /nfs/dbraw/zinc/72/92/96/496729296.db2.gz XMHVHVATNXFXQD-GFCCVEGCSA-N 1 0 369.870 3.179 20 10 FGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000273274280 496760328 /nfs/dbraw/zinc/76/03/28/496760328.db2.gz OZLRRYLRXBDCDX-UTKZUKDTSA-N 1 0 366.509 3.380 20 10 FGCDRO CC[N@H+](CCCc1nc(C)no1)Cc1cc(Br)ccc1O ZINC000268694018 496760948 /nfs/dbraw/zinc/76/09/48/496760948.db2.gz SCSVHMRHMVMWFH-UHFFFAOYSA-N 1 0 354.248 3.301 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c(O)c1C ZINC000273363590 496783945 /nfs/dbraw/zinc/78/39/45/496783945.db2.gz DJKZPEBFCGISTP-WBVHZDCISA-N 1 0 355.482 3.480 20 10 FGCDRO O=C(C[NH2+]C1(CO)CCOCC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000264595189 496939039 /nfs/dbraw/zinc/93/90/39/496939039.db2.gz BNMUDBJVYOXVCC-WCWDXBQESA-N 1 0 368.437 3.172 20 10 FGCDRO Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C(F)F)n1 ZINC000274524855 497117550 /nfs/dbraw/zinc/11/75/50/497117550.db2.gz ZKFBPGJANIIOEK-HNNXBMFYSA-N 1 0 351.397 3.245 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccnn1C ZINC000192692390 497185679 /nfs/dbraw/zinc/18/56/79/497185679.db2.gz BVMDAJHQCKNUSQ-CYBMUJFWSA-N 1 0 368.403 3.126 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccccc1O ZINC000274892483 497193262 /nfs/dbraw/zinc/19/32/62/497193262.db2.gz JQARYDYIKNXQIG-HXUWFJFHSA-N 1 0 367.493 3.021 20 10 FGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])CN1CC[NH+](C)CC1 ZINC000192822837 497223210 /nfs/dbraw/zinc/22/32/10/497223210.db2.gz XGBUOLQLIKOISF-STQMWFEESA-N 1 0 360.329 3.233 20 10 FGCDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(Cl)cc1 ZINC000278841863 497239581 /nfs/dbraw/zinc/23/95/81/497239581.db2.gz ZRRAXUDPGJYFAH-AWEZNQCLSA-N 1 0 366.801 3.440 20 10 FGCDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278895007 497258495 /nfs/dbraw/zinc/25/84/95/497258495.db2.gz YVQPYOIXZZFCJX-STQMWFEESA-N 1 0 360.329 3.376 20 10 FGCDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cc1ccc(N)cc1 ZINC000237717415 497281277 /nfs/dbraw/zinc/28/12/77/497281277.db2.gz BYHMNBYFPHCAKN-UHFFFAOYSA-N 1 0 355.507 3.307 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)c1c(F)cccc1F ZINC000271876006 497476938 /nfs/dbraw/zinc/47/69/38/497476938.db2.gz ZEUDYFKATNMYIQ-KUHUBIRLSA-N 1 0 367.392 3.289 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1OC ZINC000279843510 497561364 /nfs/dbraw/zinc/56/13/64/497561364.db2.gz RFCXOQFUGFVQCT-JTQLQIEISA-N 1 0 367.243 3.418 20 10 FGCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555519 497661338 /nfs/dbraw/zinc/66/13/38/497661338.db2.gz ZHEMRKSWYNSLGW-OJYYBLKUSA-N 1 0 366.461 3.138 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000194588128 497712521 /nfs/dbraw/zinc/71/25/21/497712521.db2.gz VZBZAWSMEZZQPB-UHFFFAOYSA-N 1 0 355.526 3.414 20 10 FGCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000191331195 497782801 /nfs/dbraw/zinc/78/28/01/497782801.db2.gz UAEOEHCWQLBNNK-LLVKDONJSA-N 1 0 350.825 3.102 20 10 FGCDRO Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280839897 497919483 /nfs/dbraw/zinc/91/94/83/497919483.db2.gz YDWFMHMQJMRJRE-ACJLOTCBSA-N 1 0 351.443 3.104 20 10 FGCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000289053599 497995651 /nfs/dbraw/zinc/99/56/51/497995651.db2.gz BMBBGFLONJOJCZ-UHFFFAOYSA-N 1 0 357.473 3.213 20 10 FGCDRO CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Br)ccc1O ZINC000281082370 498013614 /nfs/dbraw/zinc/01/36/14/498013614.db2.gz PGXZCNVQTJBJBE-RNODOKPDSA-N 1 0 360.317 3.497 20 10 FGCDRO CC(C)[NH+]1CCN(C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000364587573 498037391 /nfs/dbraw/zinc/03/73/91/498037391.db2.gz DLIDTDFKGHGTHN-UHFFFAOYSA-N 1 0 369.912 3.175 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(NC(=O)c3occc3C)CC2)c1 ZINC000364636283 498062251 /nfs/dbraw/zinc/06/22/51/498062251.db2.gz XXEWMNJLECJDNU-AWEZNQCLSA-N 1 0 358.438 3.258 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(O)c1 ZINC000285443063 498085505 /nfs/dbraw/zinc/08/55/05/498085505.db2.gz ZDCXPBVMLHLTOE-MRXNPFEDSA-N 1 0 368.543 3.110 20 10 FGCDRO CN(C)c1ccc(CNCc2ncc(I)s2)cc1 ZINC000285582239 498137100 /nfs/dbraw/zinc/13/71/00/498137100.db2.gz XBQAOILUKTXHJS-UHFFFAOYSA-N 1 0 373.263 3.104 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000296887809 498237781 /nfs/dbraw/zinc/23/77/81/498237781.db2.gz QFIRFRIQZWGMKU-FQEVSTJZSA-N 1 0 355.507 3.097 20 10 FGCDRO COc1ccccc1NC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000360438231 498275019 /nfs/dbraw/zinc/27/50/19/498275019.db2.gz WMRUWGWHZRCGIK-UHFFFAOYSA-N 1 0 372.465 3.495 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1O ZINC000360717065 498301563 /nfs/dbraw/zinc/30/15/63/498301563.db2.gz VXSMUGZBOUEALE-CZUORRHYSA-N 1 0 352.413 3.455 20 10 FGCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000282399483 498494660 /nfs/dbraw/zinc/49/46/60/498494660.db2.gz POOBEHMYBURWMD-QGZVFWFLSA-N 1 0 354.233 3.459 20 10 FGCDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000569938788 506052764 /nfs/dbraw/zinc/05/27/64/506052764.db2.gz YNMRYCRKJXFIKE-SFHVURJKSA-N 1 0 357.498 3.119 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282550480 498554962 /nfs/dbraw/zinc/55/49/62/498554962.db2.gz XDIHYMUQKNPVOB-ZBFHGGJFSA-N 1 0 355.438 3.358 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000362957907 498589133 /nfs/dbraw/zinc/58/91/33/498589133.db2.gz KWMBCUNEXGOIRR-RTBURBONSA-N 1 0 369.509 3.261 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(F)ccc(O)c3F)c2)CC1 ZINC000290632545 498627300 /nfs/dbraw/zinc/62/73/00/498627300.db2.gz YBQZTNSRIJATFH-UHFFFAOYSA-N 1 0 361.392 3.065 20 10 FGCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000294310250 498652615 /nfs/dbraw/zinc/65/26/15/498652615.db2.gz QMYLGPKNHAQBOI-OAHLLOKOSA-N 1 0 358.457 3.213 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1 ZINC000287425232 498751567 /nfs/dbraw/zinc/75/15/67/498751567.db2.gz SMVOAXUCVKZPFC-GJZGRUSLSA-N 1 0 358.438 3.062 20 10 FGCDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000366332265 498877046 /nfs/dbraw/zinc/87/70/46/498877046.db2.gz YWWBJEAIWLFANX-OXJNMPFZSA-N 1 0 357.885 3.274 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1F ZINC000295125213 498918673 /nfs/dbraw/zinc/91/86/73/498918673.db2.gz XUYRVPOEORCCIE-SFHVURJKSA-N 1 0 372.488 3.021 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc2c(cc1O)CCCC2 ZINC000363857043 499026691 /nfs/dbraw/zinc/02/66/91/499026691.db2.gz PMSRQDUSMHEFDH-IFXJQAMLSA-N 1 0 355.482 3.188 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000295488219 499031990 /nfs/dbraw/zinc/03/19/90/499031990.db2.gz SORXKWCJTNTCSD-UHFFFAOYSA-N 1 0 366.490 3.026 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1O ZINC000364028990 499091694 /nfs/dbraw/zinc/09/16/94/499091694.db2.gz ADQXBRLWLSEROC-KRWDZBQOSA-N 1 0 358.482 3.014 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710237 499164910 /nfs/dbraw/zinc/16/49/10/499164910.db2.gz CEEPYWSDEGQNMX-KRWDZBQOSA-N 1 0 372.513 3.447 20 10 FGCDRO Fc1cccnc1OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000370091545 499178932 /nfs/dbraw/zinc/17/89/32/499178932.db2.gz KKGYFDWJIVFMED-UHFFFAOYSA-N 1 0 371.456 3.101 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1O ZINC000367586029 499215334 /nfs/dbraw/zinc/21/53/34/499215334.db2.gz XKTQTSXFXGRWTE-UHFFFAOYSA-N 1 0 374.868 3.454 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+]C3CC(c4ccccn4)C3)cc2F)CC1 ZINC000370730523 499249278 /nfs/dbraw/zinc/24/92/78/499249278.db2.gz OSYRIGZTEMJPQC-UHFFFAOYSA-N 1 0 355.457 3.218 20 10 FGCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)OCCc2sccc21 ZINC000368089252 499262914 /nfs/dbraw/zinc/26/29/14/499262914.db2.gz KUPUXYGUOVOTTA-FQEVSTJZSA-N 1 0 358.507 3.162 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1O ZINC000368374235 499289984 /nfs/dbraw/zinc/28/99/84/499289984.db2.gz KDQUINNHLIEPGK-DOTOQJQBSA-N 1 0 356.470 3.358 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000371332535 499311750 /nfs/dbraw/zinc/31/17/50/499311750.db2.gz QHWUTXDIMHFRBD-NWDGAFQWSA-N 1 0 356.260 3.022 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4nc[nH]c4C3)cc2)CC1 ZINC000368628398 499315357 /nfs/dbraw/zinc/31/53/57/499315357.db2.gz NIMNPSMLPVHRMQ-QGZVFWFLSA-N 1 0 367.497 3.003 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3nc(C)cs3)C2)c1O ZINC000371395662 499320558 /nfs/dbraw/zinc/32/05/58/499320558.db2.gz JAPPFIJKFAQPPY-CQSZACIVSA-N 1 0 361.467 3.016 20 10 FGCDRO COc1cccc(C[NH+]2CCC(C(=O)N(C)c3ccccc3)CC2)c1O ZINC000371421384 499324821 /nfs/dbraw/zinc/32/48/21/499324821.db2.gz RXQKZYBZLGRDQG-UHFFFAOYSA-N 1 0 354.450 3.276 20 10 FGCDRO COc1ccc([C@@H](O)[C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)cc1 ZINC000371422277 499324983 /nfs/dbraw/zinc/32/49/83/499324983.db2.gz DZYQMOHWGNSAEF-LAUBAEHRSA-N 1 0 373.449 3.116 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000371458516 499329266 /nfs/dbraw/zinc/32/92/66/499329266.db2.gz QOXWYSTXCDTWCG-AZUAARDMSA-N 1 0 365.521 3.494 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000369120570 499367665 /nfs/dbraw/zinc/36/76/65/499367665.db2.gz VQUJSMBWQNWRTQ-IAGOWNOFSA-N 1 0 362.493 3.098 20 10 FGCDRO O=C(Nc1nccs1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000372398548 499429101 /nfs/dbraw/zinc/42/91/01/499429101.db2.gz PSZKPQSHXQQSLG-UHFFFAOYSA-N 1 0 351.859 3.353 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000372982356 499445776 /nfs/dbraw/zinc/44/57/76/499445776.db2.gz ZIUNIAQIJPCPIW-UHFFFAOYSA-N 1 0 366.259 3.197 20 10 FGCDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000373509650 499474103 /nfs/dbraw/zinc/47/41/03/499474103.db2.gz PSRIZLSUHDJXCY-QGZVFWFLSA-N 1 0 357.523 3.498 20 10 FGCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000377628564 499712449 /nfs/dbraw/zinc/71/24/49/499712449.db2.gz VYRZDUMJHOYPHM-OAHLLOKOSA-N 1 0 362.861 3.060 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000377699470 499722226 /nfs/dbraw/zinc/72/22/26/499722226.db2.gz MNJXWXKHESFXBH-CKJXQJPGSA-N 1 0 372.513 3.210 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1O ZINC000377803575 499736531 /nfs/dbraw/zinc/73/65/31/499736531.db2.gz YAUUTHMJZYMGMV-PWSUYJOCSA-N 1 0 350.260 3.394 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccc[nH]2)C1 ZINC000444307721 500832926 /nfs/dbraw/zinc/83/29/26/500832926.db2.gz ATBVNMOEJPJFRI-UHFFFAOYSA-N 1 0 364.493 3.095 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCCO2)C1 ZINC000435821656 501033972 /nfs/dbraw/zinc/03/39/72/501033972.db2.gz GYFSRNKFIZAMFX-QFIPXVFZSA-N 1 0 369.509 3.093 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(C)(F)C2)C1 ZINC000452273182 501470193 /nfs/dbraw/zinc/47/01/93/501470193.db2.gz BLRKSARZIFEYBX-UHFFFAOYSA-N 1 0 357.473 3.415 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)ccc21 ZINC000582553642 506291991 /nfs/dbraw/zinc/29/19/91/506291991.db2.gz OWYZFPCVRCLWMS-XBHMSOGKSA-N 1 0 357.498 3.021 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000471772670 502133106 /nfs/dbraw/zinc/13/31/06/502133106.db2.gz SRGNWHOEGVRZEB-INIZCTEOSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000472044100 502209522 /nfs/dbraw/zinc/20/95/22/502209522.db2.gz LTAWDVSILAGGLI-KRWDZBQOSA-N 1 0 356.514 3.264 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000472230196 502277754 /nfs/dbraw/zinc/27/77/54/502277754.db2.gz BJURJSMFRNWHGW-INIZCTEOSA-N 1 0 356.514 3.358 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)c1O ZINC000527587353 503843117 /nfs/dbraw/zinc/84/31/17/503843117.db2.gz LFGFNMUYGOVDJN-UHFFFAOYSA-N 1 0 372.465 3.395 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCCOC2)C1 ZINC000557433337 505133683 /nfs/dbraw/zinc/13/36/83/505133683.db2.gz JHZIUVWIKZUSPN-KRWDZBQOSA-N 1 0 369.509 3.045 20 10 FGCDRO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823731661 606751980 /nfs/dbraw/zinc/75/19/80/606751980.db2.gz AVYRPXUPHRFQKC-UHFFFAOYSA-N 1 0 361.405 3.368 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093685134 700453413 /nfs/dbraw/zinc/45/34/13/700453413.db2.gz LCDYQNLYIURDBX-AWEZNQCLSA-N 1 0 358.404 3.323 20 10 FGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(Br)cc1 ZINC000111235881 700546872 /nfs/dbraw/zinc/54/68/72/700546872.db2.gz URAKBVRKFBRFKD-OAHLLOKOSA-N 1 0 366.255 3.026 20 10 FGCDRO O=C1[C@H]([NH2+]Cc2ccccc2O)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960677 700575886 /nfs/dbraw/zinc/57/58/86/700575886.db2.gz SYZFMFPZWQAZBD-OAHLLOKOSA-N 1 0 350.340 3.306 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)c1O ZINC000130375283 700800631 /nfs/dbraw/zinc/80/06/31/700800631.db2.gz JCAJMVMWBQJGFL-GWCFXTLKSA-N 1 0 370.243 3.358 20 10 FGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000131407773 700814909 /nfs/dbraw/zinc/81/49/09/700814909.db2.gz XMIPLZBVOLMHDD-LSDHHAIUSA-N 1 0 350.459 3.326 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1cccc(Br)c1 ZINC000132598059 700829311 /nfs/dbraw/zinc/82/93/11/700829311.db2.gz IAFYCUMNVDXFHB-AWEZNQCLSA-N 1 0 362.271 3.030 20 10 FGCDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000166723871 705345953 /nfs/dbraw/zinc/34/59/53/705345953.db2.gz ZMBVTJAJGWDEJW-KRWDZBQOSA-N 1 0 351.510 3.435 20 10 FGCDRO COC[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172922722 705436310 /nfs/dbraw/zinc/43/63/10/705436310.db2.gz NVGNIGVTSJKZFN-CQSZACIVSA-N 1 0 366.255 3.155 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC1CCCC1 ZINC000174423627 705503968 /nfs/dbraw/zinc/50/39/68/705503968.db2.gz JCXOAJVMPJNNNP-LBPRGKRZSA-N 1 0 369.303 3.424 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179946446 705721679 /nfs/dbraw/zinc/72/16/79/705721679.db2.gz PYAYNZJRNSSANC-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)ccc1O ZINC000192700407 712871304 /nfs/dbraw/zinc/87/13/04/712871304.db2.gz BFRPIRQVFCQJIN-OAHLLOKOSA-N 1 0 363.255 3.495 20 10 FGCDRO C[C@H](N)c1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000327192470 713821874 /nfs/dbraw/zinc/82/18/74/713821874.db2.gz BHICLCCUIOYRIJ-AWEZNQCLSA-N 1 0 358.511 3.425 20 10 FGCDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cc(Br)ccc1O ZINC000756635658 722968019 /nfs/dbraw/zinc/96/80/19/722968019.db2.gz GMOVHUTYQGBWFD-IAQYHMDHSA-N 1 0 359.333 3.243 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1O ZINC000790934658 723195992 /nfs/dbraw/zinc/19/59/92/723195992.db2.gz QPABRMDJQHGFTB-RISCZKNCSA-N 1 0 358.276 3.289 20 10 FGCDRO C[NH+](C)Cc1cccc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804737982 724547664 /nfs/dbraw/zinc/54/76/64/724547664.db2.gz XWJWZTSWSGWCLE-UHFFFAOYSA-N 1 0 363.255 3.146 20 10 FGCDRO COc1cccc(O)c1C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000783720822 724781447 /nfs/dbraw/zinc/78/14/47/724781447.db2.gz XLYBAQVIWPKRPU-UHFFFAOYSA-N 1 0 350.459 3.280 20 10 FGCDRO CCN(CC)c1ccc(CNC(=S)NC[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000731320730 722474581 /nfs/dbraw/zinc/47/45/81/722474581.db2.gz XJPRBIUWSBBUDR-INIZCTEOSA-N 1 0 366.550 3.120 20 10 FGCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000731450158 722475437 /nfs/dbraw/zinc/47/54/37/722475437.db2.gz ITLPMDKLVCZQNX-OAHLLOKOSA-N 1 0 357.328 3.123 20 10 FGCDRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000734844124 722510498 /nfs/dbraw/zinc/51/04/98/722510498.db2.gz VEXDIHCNWCPDQQ-FUHWJXTLSA-N 1 0 351.368 3.246 20 10 FGCDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1=CC(=O)CS1 ZINC000753502114 722901872 /nfs/dbraw/zinc/90/18/72/722901872.db2.gz BLVQANMKRRHGJR-KBAYOESNSA-N 1 0 356.491 3.484 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1O ZINC000753576227 722905376 /nfs/dbraw/zinc/90/53/76/722905376.db2.gz PROHMKOPOXQXPV-ZDUSSCGKSA-N 1 0 370.287 3.412 20 10 FGCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(Br)cc1O ZINC000756478997 722965388 /nfs/dbraw/zinc/96/53/88/722965388.db2.gz KVDOLUJXEOGUAO-LLVKDONJSA-N 1 0 364.243 3.229 20 10 FGCDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000756529317 722966243 /nfs/dbraw/zinc/96/62/43/722966243.db2.gz SEECBYZAUMUMJM-PWSUYJOCSA-N 1 0 357.248 3.036 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccc(Br)cc1 ZINC000758527907 722991144 /nfs/dbraw/zinc/99/11/44/722991144.db2.gz ZNYDYWWOGRZJHZ-CQSZACIVSA-N 1 0 350.256 3.096 20 10 FGCDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1 ZINC000759387145 723003774 /nfs/dbraw/zinc/00/37/74/723003774.db2.gz OBBAOCGRIJOQHA-WWRUEGTHSA-N 1 0 357.841 3.104 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1O ZINC000761205373 723132859 /nfs/dbraw/zinc/13/28/59/723132859.db2.gz AFZLHBNRQNEZJN-UHFFFAOYSA-N 1 0 366.889 3.325 20 10 FGCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761213042 723133689 /nfs/dbraw/zinc/13/36/89/723133689.db2.gz BNGZDTWTKUCHKZ-ZDUSSCGKSA-N 1 0 355.862 3.465 20 10 FGCDRO CCOC(=O)C1(C[NH2+]Cc2cc(Br)ccc2O)CCCC1 ZINC000792197067 723320598 /nfs/dbraw/zinc/32/05/98/723320598.db2.gz ZWTZSBKZCSOBGD-UHFFFAOYSA-N 1 0 356.260 3.368 20 10 FGCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000763526946 723348302 /nfs/dbraw/zinc/34/83/02/723348302.db2.gz QGPKMEPMSHWXSM-VQIMIIECSA-N 1 0 350.478 3.346 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000793565761 723449244 /nfs/dbraw/zinc/44/92/44/723449244.db2.gz DBTJOGSFWDLYFK-LNSITVRQSA-N 1 0 374.319 3.272 20 10 FGCDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977928 723549514 /nfs/dbraw/zinc/54/95/14/723549514.db2.gz KPOHKWCBHZMNCB-PMACEKPBSA-N 1 0 364.555 3.226 20 10 FGCDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979436 723549652 /nfs/dbraw/zinc/54/96/52/723549652.db2.gz UAKCDUHFBTYKLI-AZUAARDMSA-N 1 0 364.555 3.370 20 10 FGCDRO CCCCCC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978707 723549658 /nfs/dbraw/zinc/54/96/58/723549658.db2.gz FXKLQLCSCUQBAI-KRWDZBQOSA-N 1 0 352.544 3.370 20 10 FGCDRO CCN1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000765993190 723550582 /nfs/dbraw/zinc/55/05/82/723550582.db2.gz LQXDPFNEADIOHT-GOSISDBHSA-N 1 0 351.922 3.084 20 10 FGCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000796528899 723641685 /nfs/dbraw/zinc/64/16/85/723641685.db2.gz JWSLWEURQOCKEI-NXEZZACHSA-N 1 0 368.890 3.212 20 10 FGCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000796532185 723642020 /nfs/dbraw/zinc/64/20/20/723642020.db2.gz PPBCIGNRQUTTID-UWVGGRQHSA-N 1 0 368.890 3.212 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769424052 723685345 /nfs/dbraw/zinc/68/53/45/723685345.db2.gz QOUKIMDLUWZQEA-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO Cc1cccnc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771056636 723726788 /nfs/dbraw/zinc/72/67/88/723726788.db2.gz FSNUSKRCFRJZRH-MRXNPFEDSA-N 1 0 359.857 3.143 20 10 FGCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1O ZINC000771062950 723727105 /nfs/dbraw/zinc/72/71/05/723727105.db2.gz CNDPDBGUQGTHQG-HNNXBMFYSA-N 1 0 360.841 3.146 20 10 FGCDRO CC(C)SCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771065167 723727228 /nfs/dbraw/zinc/72/72/28/723727228.db2.gz LXYMNUPZZYYXNU-OAHLLOKOSA-N 1 0 356.919 3.268 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000771890969 723744533 /nfs/dbraw/zinc/74/45/33/723744533.db2.gz VNLCKOPSGXAYBB-KBPBESRZSA-N 1 0 358.276 3.457 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000775376357 723986545 /nfs/dbraw/zinc/98/65/45/723986545.db2.gz UTVPVVNSAIZXCU-ZDUSSCGKSA-N 1 0 367.442 3.055 20 10 FGCDRO CCOC(=O)C1([N@H+](C)Cc2cc(OC)c(OC)cc2O)CCCCC1 ZINC000775726423 724032042 /nfs/dbraw/zinc/03/20/42/724032042.db2.gz YCEPCILYXQJXOL-UHFFFAOYSA-N 1 0 351.443 3.107 20 10 FGCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(F)(F)F ZINC000777011274 724205725 /nfs/dbraw/zinc/20/57/25/724205725.db2.gz MQQXUUCCGPUFAB-IAQYHMDHSA-N 1 0 366.811 3.405 20 10 FGCDRO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000800534541 724210252 /nfs/dbraw/zinc/21/02/52/724210252.db2.gz OKMJURCMVDOVDZ-LJQANCHMSA-N 1 0 359.491 3.458 20 10 FGCDRO O=C(Nc1ccccc1)C1([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000778216615 724312303 /nfs/dbraw/zinc/31/23/03/724312303.db2.gz DALUMLBXNSQRDL-UHFFFAOYSA-N 1 0 361.239 3.416 20 10 FGCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000784621209 724868594 /nfs/dbraw/zinc/86/85/94/724868594.db2.gz NPKWXQUJQAPAKI-LJQANCHMSA-N 1 0 352.544 3.370 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)C2CCOCC2)c1O ZINC000785607748 724924888 /nfs/dbraw/zinc/92/48/88/724924888.db2.gz RZOOMCHBJWVWOP-UHFFFAOYSA-N 1 0 358.276 3.458 20 10 FGCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000788594509 725074413 /nfs/dbraw/zinc/07/44/13/725074413.db2.gz VOFYHDDWAQNLPD-UYAOXDASSA-N 1 0 364.555 3.368 20 10 FGCDRO CCn1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)c1=O ZINC000788610602 725075684 /nfs/dbraw/zinc/07/56/84/725075684.db2.gz ZBDLQVXEHLBASS-LBPRGKRZSA-N 1 0 365.271 3.496 20 10 FGCDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789593588 725138086 /nfs/dbraw/zinc/13/80/86/725138086.db2.gz SROCBHWBIDYPBR-HXUWFJFHSA-N 1 0 350.478 3.035 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000809665134 725257391 /nfs/dbraw/zinc/25/73/91/725257391.db2.gz PJSFBYXFUXPYFF-NSHDSACASA-N 1 0 358.276 3.146 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(Br)cc1O ZINC000810244307 725299467 /nfs/dbraw/zinc/29/94/67/725299467.db2.gz ZYGKXZKVWVDSTH-LLVKDONJSA-N 1 0 363.255 3.033 20 10 FGCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cc2)CC1 ZINC000815579546 727084919 /nfs/dbraw/zinc/08/49/19/727084919.db2.gz PGNOXMGCWIYXMJ-LJQANCHMSA-N 1 0 362.539 3.124 20 10 FGCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)(F)F ZINC000815835522 727101035 /nfs/dbraw/zinc/10/10/35/727101035.db2.gz WSRQOZRMMFJZCZ-BXUZGUMPSA-N 1 0 360.832 3.418 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1O ZINC000816652967 727185529 /nfs/dbraw/zinc/18/55/29/727185529.db2.gz ACDCTKJTIHCCMD-OAHLLOKOSA-N 1 0 363.255 3.169 20 10 FGCDRO C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000817899396 727287543 /nfs/dbraw/zinc/28/75/43/727287543.db2.gz LMLVUBMZWHOHQS-RLFYNMQTSA-N 1 0 353.457 3.377 20 10 FGCDRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964538 727331822 /nfs/dbraw/zinc/33/18/22/727331822.db2.gz ZCOVJNXITYPHDW-NRFANRHFSA-N 1 0 356.535 3.323 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)c(Br)c1 ZINC000818997043 727335983 /nfs/dbraw/zinc/33/59/83/727335983.db2.gz QIKSADWWAVBRDC-MRXNPFEDSA-N 1 0 366.230 3.346 20 10 FGCDRO CN(C)c1ccc(NC(=O)CC[NH2+]CCCSc2nccs2)cc1 ZINC000819064283 727343616 /nfs/dbraw/zinc/34/36/16/727343616.db2.gz VYMXFKDUWHPFQM-UHFFFAOYSA-N 1 0 364.540 3.310 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1O ZINC000824845957 729361721 /nfs/dbraw/zinc/36/17/21/729361721.db2.gz PNGCHRXYHZGMJX-HZPDHXFCSA-N 1 0 354.288 3.350 20 10 FGCDRO Oc1cc(Br)ccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000824870224 729363095 /nfs/dbraw/zinc/36/30/95/729363095.db2.gz OFPMEPSOGSMDQE-CQSZACIVSA-N 1 0 353.304 3.463 20 10 FGCDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000825006178 729367414 /nfs/dbraw/zinc/36/74/14/729367414.db2.gz ZEOSSWDINGGDCQ-SNVBAGLBSA-N 1 0 354.248 3.231 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000825166551 729373256 /nfs/dbraw/zinc/37/32/56/729373256.db2.gz CCJFVWKNCBDSJP-UHFFFAOYSA-N 1 0 353.871 3.059 20 10 FGCDRO COc1cc(Cl)cc(C[NH+]2CCC(OCCOC(C)C)CC2)c1O ZINC000825208032 729374625 /nfs/dbraw/zinc/37/46/25/729374625.db2.gz QPQLLFFJRRYARW-UHFFFAOYSA-N 1 0 357.878 3.460 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263964 729376064 /nfs/dbraw/zinc/37/60/64/729376064.db2.gz XIGKAGLIQUIAAF-KBPBESRZSA-N 1 0 350.459 3.184 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000825500780 729385464 /nfs/dbraw/zinc/38/54/64/729385464.db2.gz HWCBNYAQWOAFDF-INIZCTEOSA-N 1 0 350.256 3.238 20 10 FGCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825773415 729394834 /nfs/dbraw/zinc/39/48/34/729394834.db2.gz GGQFPZNKTZHGHW-INIZCTEOSA-N 1 0 350.256 3.238 20 10 FGCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825893141 729398776 /nfs/dbraw/zinc/39/87/76/729398776.db2.gz QBZCDKGPUVQFNG-OAQYLSRUSA-N 1 0 368.296 3.323 20 10 FGCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1)C(N)=O ZINC000826036665 729403166 /nfs/dbraw/zinc/40/31/66/729403166.db2.gz OAKYKIYLKHSLIR-LBPRGKRZSA-N 1 0 369.303 3.268 20 10 FGCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000827411548 729429881 /nfs/dbraw/zinc/42/98/81/729429881.db2.gz YUAVVOMQFNGYKQ-LJQANCHMSA-N 1 0 364.555 3.384 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]CC2(CC(N)=O)CCCCC2)c1O ZINC000827750228 729434143 /nfs/dbraw/zinc/43/41/43/729434143.db2.gz BLSSTBMJAIZXHB-UHFFFAOYSA-N 1 0 369.303 3.379 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccsc3C(F)F)cc2)CC1 ZINC000829296007 729472553 /nfs/dbraw/zinc/47/25/53/729472553.db2.gz DKLPXPUHLVWKTA-UHFFFAOYSA-N 1 0 365.449 3.368 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Br)cs2)cc1 ZINC000832282070 729701877 /nfs/dbraw/zinc/70/18/77/729701877.db2.gz XVPBTRNIHDMKLJ-ZDUSSCGKSA-N 1 0 368.300 3.006 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000832285531 729702376 /nfs/dbraw/zinc/70/23/76/729702376.db2.gz RMSFWHAOLMBBFY-MRXNPFEDSA-N 1 0 351.372 3.201 20 10 FGCDRO C[C@H]1CCc2sc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2C1 ZINC000832285167 729702582 /nfs/dbraw/zinc/70/25/82/729702582.db2.gz PCGHSENQKDSFMP-SUMWQHHRSA-N 1 0 357.523 3.369 20 10 FGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000834827529 729837207 /nfs/dbraw/zinc/83/72/07/729837207.db2.gz KIWGCVJOWXJUGB-RDJZCZTQSA-N 1 0 358.507 3.364 20 10 FGCDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1cc(Br)ccc1O ZINC000834880708 729842015 /nfs/dbraw/zinc/84/20/15/729842015.db2.gz OMGGEEDWUHEFGY-HZUKXOBISA-N 1 0 358.276 3.247 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)ccc1O ZINC000834914011 729846048 /nfs/dbraw/zinc/84/60/48/729846048.db2.gz KBFLKSQWOUBWJC-VHDGCEQUSA-N 1 0 367.287 3.349 20 10 FGCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835052443 729853457 /nfs/dbraw/zinc/85/34/57/729853457.db2.gz OJTHGYHAFKEFRP-VGOKWCNXSA-N 1 0 356.388 3.193 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000840893536 730188948 /nfs/dbraw/zinc/18/89/48/730188948.db2.gz KVBNHFBHEBBXRK-LRYGQEGESA-N 1 0 366.571 3.185 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1O ZINC000840960387 730197512 /nfs/dbraw/zinc/19/75/12/730197512.db2.gz ICZSWZNWTIILFS-HWPZZCPQSA-N 1 0 358.276 3.457 20 10 FGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H]1CCC(=O)N1 ZINC000840977937 730200192 /nfs/dbraw/zinc/20/01/92/730200192.db2.gz YYHNCLLWFRRQRH-CQSZACIVSA-N 1 0 357.420 3.260 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(Cl)cc1O ZINC000841753443 730270707 /nfs/dbraw/zinc/27/07/07/730270707.db2.gz TWMVLQMJSVJODS-CQSZACIVSA-N 1 0 367.898 3.354 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)cc2Cl)C1 ZINC000841896300 730283969 /nfs/dbraw/zinc/28/39/69/730283969.db2.gz KHMPRJBFQRXINC-GDBMZVCRSA-N 1 0 364.921 3.209 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N(C)C3CC([NH3+])C3)cc2Cl)C1 ZINC000841896492 730283975 /nfs/dbraw/zinc/28/39/75/730283975.db2.gz NPQFEWXRSUJEBV-JEYLPNPQSA-N 1 0 364.921 3.207 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)cc2Cl)C1 ZINC000841896583 730284016 /nfs/dbraw/zinc/28/40/16/730284016.db2.gz LTMQXSOUACETFA-DYVFJYSZSA-N 1 0 364.921 3.113 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(C(F)(F)F)c1 ZINC000841898582 730284196 /nfs/dbraw/zinc/28/41/96/730284196.db2.gz OIIUAZXPZNUVBS-GFCCVEGCSA-N 1 0 351.363 3.200 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NC3CC[NH2+]CC3)cc2Cl)C1 ZINC000841897173 730284235 /nfs/dbraw/zinc/28/42/35/730284235.db2.gz QQNLAWQOIGVMCI-CQSZACIVSA-N 1 0 364.921 3.128 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCc2ncn(C)n2)cc1 ZINC000842738405 730537773 /nfs/dbraw/zinc/53/77/73/730537773.db2.gz GLXSJCPYEXWLJW-UHFFFAOYSA-N 1 0 355.511 3.235 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000843044413 730573216 /nfs/dbraw/zinc/57/32/16/730573216.db2.gz BFVTVOXLNOSZTB-XJKSGUPXSA-N 1 0 353.304 3.427 20 10 FGCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CSc3ccccc3O2)cc1OC ZINC000843419007 730618453 /nfs/dbraw/zinc/61/84/53/730618453.db2.gz OFARDWOBEUQLRQ-CQSZACIVSA-N 1 0 361.463 3.442 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1O ZINC000843429681 730620205 /nfs/dbraw/zinc/62/02/05/730620205.db2.gz ZNRSLIZPWSSLHF-INIZCTEOSA-N 1 0 358.869 3.492 20 10 FGCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000845981741 730915462 /nfs/dbraw/zinc/91/54/62/730915462.db2.gz OKOFLHLUPWCRAZ-OAHLLOKOSA-N 1 0 356.457 3.342 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1O ZINC000846143776 730931747 /nfs/dbraw/zinc/93/17/47/730931747.db2.gz HQKQTWMPYISASV-KGLIPLIRSA-N 1 0 350.459 3.451 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CC2(N3CCSCC3)CCCC2)c1O ZINC000846138495 730931815 /nfs/dbraw/zinc/93/18/15/730931815.db2.gz DWAQZFZVFKJKNC-HNNXBMFYSA-N 1 0 350.528 3.413 20 10 FGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846162065 730932614 /nfs/dbraw/zinc/93/26/14/730932614.db2.gz ADRWKPDIESAIEG-CABCVRRESA-N 1 0 363.479 3.222 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]CCCCn2cc(Br)cn2)c1O ZINC000846167312 730933137 /nfs/dbraw/zinc/93/31/37/730933137.db2.gz IILNKGDXUPAJML-LBPRGKRZSA-N 1 0 368.275 3.491 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCn2ccnc2C)c1O ZINC000848525447 731175250 /nfs/dbraw/zinc/17/52/50/731175250.db2.gz NZILWFXNHZONBB-JTQLQIEISA-N 1 0 354.248 3.019 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)c1O ZINC000848530577 731176316 /nfs/dbraw/zinc/17/63/16/731176316.db2.gz BOKJMENFVABZJF-NWDGAFQWSA-N 1 0 357.292 3.298 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000848533160 731176841 /nfs/dbraw/zinc/17/68/41/731176841.db2.gz OKKYYOAZYBEKNI-SKDRFNHKSA-N 1 0 366.259 3.095 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(Cl)nc4ccccn43)C2)cc1 ZINC000850345795 731345040 /nfs/dbraw/zinc/34/50/40/731345040.db2.gz KQCYBYHRYDXTBJ-CQSZACIVSA-N 1 0 356.857 3.365 20 10 FGCDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000852922058 731644298 /nfs/dbraw/zinc/64/42/98/731644298.db2.gz UNVHADXWUYRXEU-LLVKDONJSA-N 1 0 364.287 3.194 20 10 FGCDRO O=C(NCCCSc1nccs1)NCC1CC[NH+](CC2CC2)CC1 ZINC000853857491 731763507 /nfs/dbraw/zinc/76/35/07/731763507.db2.gz DTLBFICKVVZZSA-UHFFFAOYSA-N 1 0 368.572 3.047 20 10 FGCDRO O=C(NCCCSc1nccs1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853859755 731763772 /nfs/dbraw/zinc/76/37/72/731763772.db2.gz XNVBVDWJIXNGDQ-HNNXBMFYSA-N 1 0 368.572 3.047 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000858100352 732180500 /nfs/dbraw/zinc/18/05/00/732180500.db2.gz PQWGVFFQRTUPNB-SNVBAGLBSA-N 1 0 367.209 3.129 20 10 FGCDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858546263 732226165 /nfs/dbraw/zinc/22/61/65/732226165.db2.gz QSINWPRIYUSZHR-OHNRDTAOSA-N 1 0 350.890 3.395 20 10 FGCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237582 732793661 /nfs/dbraw/zinc/79/36/61/732793661.db2.gz SXAFGSJZNNYMQL-ZDUSSCGKSA-N 1 0 369.303 3.283 20 10 FGCDRO CC1([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)OCCO1 ZINC000862322514 732807524 /nfs/dbraw/zinc/80/75/24/732807524.db2.gz MTZXRHNMVOWDJL-LBPRGKRZSA-N 1 0 356.260 3.130 20 10 FGCDRO O=c1[nH]ccc2oc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cc21 ZINC000865417316 733195166 /nfs/dbraw/zinc/19/51/66/733195166.db2.gz GMGZDNLZGJSONM-UHFFFAOYSA-N 1 0 355.463 3.376 20 10 FGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000865783368 733269293 /nfs/dbraw/zinc/26/92/93/733269293.db2.gz PEPZMZIHMZZENX-LBPRGKRZSA-N 1 0 353.871 3.342 20 10 FGCDRO C[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866535775 733362363 /nfs/dbraw/zinc/36/23/63/733362363.db2.gz HSNBKVFXWFSJAQ-QWHCGFSZSA-N 1 0 351.443 3.389 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870895737 733900242 /nfs/dbraw/zinc/90/02/42/733900242.db2.gz JTJCMBGPKYEJPJ-YEORSEQZSA-N 1 0 355.276 3.021 20 10 FGCDRO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000878241101 736793916 /nfs/dbraw/zinc/79/39/16/736793916.db2.gz BMSFOPPDPOWLRN-LBPRGKRZSA-N 1 0 362.451 3.008 20 10 FGCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000886142556 739222447 /nfs/dbraw/zinc/22/24/47/739222447.db2.gz FPLFNQOQOXMRTR-HZPDHXFCSA-N 1 0 354.441 3.239 20 10 FGCDRO Cc1scc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1C ZINC000886324709 739244046 /nfs/dbraw/zinc/24/40/46/739244046.db2.gz DHGPQRCFIHTSNP-UHFFFAOYSA-N 1 0 357.523 3.356 20 10 FGCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)c(O)c1OC ZINC000893087835 742108143 /nfs/dbraw/zinc/10/81/43/742108143.db2.gz FWLWOFXMHCJHMK-QLJPJBMISA-N 1 0 369.820 3.414 20 10 FGCDRO COc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894514636 742294305 /nfs/dbraw/zinc/29/43/05/742294305.db2.gz MVHDAUJAAXIBKR-HNNXBMFYSA-N 1 0 351.830 3.276 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O ZINC000895847879 742462691 /nfs/dbraw/zinc/46/26/91/742462691.db2.gz WWBIOKYRBYGRGX-SMDDNHRTSA-N 1 0 356.260 3.164 20 10 FGCDRO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C(F)(F)F)C2)no1 ZINC000896232083 742518010 /nfs/dbraw/zinc/51/80/10/742518010.db2.gz GVKOFUFWJIZHFN-CYBMUJFWSA-N 1 0 354.376 3.452 20 10 FGCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000896624098 742574199 /nfs/dbraw/zinc/57/41/99/742574199.db2.gz MFMXEPCTETYWEE-UHFFFAOYSA-N 1 0 360.479 3.261 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCOC3CCSCC3)CC2)cc1 ZINC000898440943 742794894 /nfs/dbraw/zinc/79/48/94/742794894.db2.gz WHZDMCGVIZYUNV-UHFFFAOYSA-N 1 0 350.528 3.166 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c1O ZINC000903274618 743833626 /nfs/dbraw/zinc/83/36/26/743833626.db2.gz PIBRKTVYUDWHMT-SNVBAGLBSA-N 1 0 372.238 3.180 20 10 FGCDRO C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccc(Br)cc1O ZINC000903347385 743839700 /nfs/dbraw/zinc/83/97/00/743839700.db2.gz NKZIARMOKFCROU-GFCCVEGCSA-N 1 0 370.287 3.127 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(C)cc1O ZINC000903434839 743850879 /nfs/dbraw/zinc/85/08/79/743850879.db2.gz NURWSDYFBRBNSK-TZMCWYRMSA-N 1 0 362.861 3.169 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3nccc4c3CCCC4)SC2=S)CC1 ZINC000905002812 743987379 /nfs/dbraw/zinc/98/73/79/743987379.db2.gz QXHAJFOZPSFYFU-SFQUDFHCSA-N 1 0 373.547 3.256 20 10 FGCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917592985 758246022 /nfs/dbraw/zinc/24/60/22/758246022.db2.gz AJQPZCPNCPYXEY-LJQANCHMSA-N 1 0 362.587 3.322 20 10 FGCDRO Cc1cc(C(=O)NCC[NH+](C)C)c(C)n1-c1ccccc1Br ZINC000920399093 758548984 /nfs/dbraw/zinc/54/89/84/758548984.db2.gz IQFIMUOGUDQXQU-UHFFFAOYSA-N 1 0 364.287 3.148 20 10 FGCDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000927041289 759881526 /nfs/dbraw/zinc/88/15/26/759881526.db2.gz CQXXRZSVAQTAHC-XIHRNRATSA-N 1 0 362.539 3.436 20 10 FGCDRO C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(N2CCOCC2)cc1 ZINC000930209428 760555323 /nfs/dbraw/zinc/55/53/23/760555323.db2.gz DNTZVFOAVSQLMI-INIZCTEOSA-N 1 0 350.528 3.086 20 10 FGCDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000077817302 494185735 /nfs/dbraw/zinc/18/57/35/494185735.db2.gz BLYWEJTXCZPCGL-XGBCSFPLSA-N 1 0 365.437 3.108 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000090540070 494479096 /nfs/dbraw/zinc/47/90/96/494479096.db2.gz CSFCJKPCSUJCKJ-XKGZKEIXSA-N 1 0 362.539 3.229 20 10 FGCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792761 494603034 /nfs/dbraw/zinc/60/30/34/494603034.db2.gz NYCAEYKWBSJWKM-CTXDPNEZSA-N 1 0 358.530 3.299 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1O ZINC000091631586 494633964 /nfs/dbraw/zinc/63/39/64/494633964.db2.gz AEZSECKXJDDBJS-ZDUSSCGKSA-N 1 0 358.417 3.040 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000092012275 494754614 /nfs/dbraw/zinc/75/46/14/494754614.db2.gz CTUMEXXLTHHVCX-QUCCMNQESA-N 1 0 356.514 3.212 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cc(F)c(F)c(F)c3)SC2=S)CC1 ZINC000102792108 495161676 /nfs/dbraw/zinc/16/16/76/495161676.db2.gz ABQRGQWVQMMYMY-JYRVWZFOSA-N 1 0 372.437 3.399 20 10 FGCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c1O ZINC000129054546 495189295 /nfs/dbraw/zinc/18/92/95/495189295.db2.gz BWGCFEVGRDMZSF-UHFFFAOYSA-N 1 0 354.450 3.057 20 10 FGCDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3c(O)cccc3Cl)cc21 ZINC000124643197 495321169 /nfs/dbraw/zinc/32/11/69/495321169.db2.gz ZXCHKMUKVLBRRB-UHFFFAOYSA-N 1 0 361.829 3.127 20 10 FGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c(O)c1O ZINC000179529611 495629179 /nfs/dbraw/zinc/62/91/79/495629179.db2.gz ZWAQSCNLXSYYFA-SFHVURJKSA-N 1 0 368.477 3.390 20 10 FGCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185866048 495757302 /nfs/dbraw/zinc/75/73/02/495757302.db2.gz GZQJZQXHLSHIAH-SNVBAGLBSA-N 1 0 368.275 3.310 20 10 FGCDRO Cc1cccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1O ZINC000179899009 495775847 /nfs/dbraw/zinc/77/58/47/495775847.db2.gz YIVRLOOTQMDQRT-UHFFFAOYSA-N 1 0 358.507 3.333 20 10 FGCDRO Oc1ccc(F)cc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000180018481 495824679 /nfs/dbraw/zinc/82/46/79/495824679.db2.gz WRMWXQVXSHWUQT-UHFFFAOYSA-N 1 0 354.385 3.356 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(Br)cc1O ZINC000186028131 495826894 /nfs/dbraw/zinc/82/68/94/495826894.db2.gz CICSMAZGCNVKFI-JTQLQIEISA-N 1 0 364.305 3.019 20 10 FGCDRO Oc1ccccc1C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCCO1 ZINC000160198243 495907065 /nfs/dbraw/zinc/90/70/65/495907065.db2.gz UOOWEKGMPXYOOF-LJQANCHMSA-N 1 0 364.449 3.359 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1OC ZINC000160481923 495972708 /nfs/dbraw/zinc/97/27/08/495972708.db2.gz OYOFHGFVAFXFDU-OAQYLSRUSA-N 1 0 355.434 3.083 20 10 FGCDRO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000180382461 495973938 /nfs/dbraw/zinc/97/39/38/495973938.db2.gz UTAPGOZUCXHADI-OXJNMPFZSA-N 1 0 365.477 3.300 20 10 FGCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183467659 495996629 /nfs/dbraw/zinc/99/66/29/495996629.db2.gz IKHSIRHXQSQBEQ-QFBILLFUSA-N 1 0 368.477 3.057 20 10 FGCDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000180848247 496170088 /nfs/dbraw/zinc/17/00/88/496170088.db2.gz DLOKMMJPZIAAPW-ACMHHVSHSA-N 1 0 366.461 3.280 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161578770 496200429 /nfs/dbraw/zinc/20/04/29/496200429.db2.gz YGZLSFSIVRXMRZ-VQIMIIECSA-N 1 0 358.457 3.089 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3COC)c2)CC1 ZINC000184256570 496306684 /nfs/dbraw/zinc/30/66/84/496306684.db2.gz FUCULKJSOUTMNX-UHFFFAOYSA-N 1 0 353.466 3.227 20 10 FGCDRO CC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(N(C)C)cc1 ZINC000156837955 496345645 /nfs/dbraw/zinc/34/56/45/496345645.db2.gz LTFKVHLPAWQGIE-UHFFFAOYSA-N 1 0 360.527 3.068 20 10 FGCDRO COc1cc(O)c(CN2CCSC[C@@H]2c2nccs2)cc1OC ZINC000184882566 496569922 /nfs/dbraw/zinc/56/99/22/496569922.db2.gz LWRKITIDFRIYHH-GFCCVEGCSA-N 1 0 352.481 3.156 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000185118750 496668038 /nfs/dbraw/zinc/66/80/38/496668038.db2.gz CWSAGKKMQPOAFJ-INIZCTEOSA-N 1 0 370.493 3.460 20 10 FGCDRO COc1ccc(O)c(C[NH2+]CCCc2nnc(SC)n2CC(C)C)c1 ZINC000182205680 496706590 /nfs/dbraw/zinc/70/65/90/496706590.db2.gz NBRTWORHOYHUIY-UHFFFAOYSA-N 1 0 364.515 3.093 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c(O)c1C ZINC000273298389 496767414 /nfs/dbraw/zinc/76/74/14/496767414.db2.gz ASBHPDNPLVEKRP-OAHLLOKOSA-N 1 0 362.495 3.110 20 10 FGCDRO O=C1NCCN1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000269398625 496938586 /nfs/dbraw/zinc/93/85/86/496938586.db2.gz CPNSDQSZWKDBPL-UHFFFAOYSA-N 1 0 351.450 3.049 20 10 FGCDRO Cc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000270925145 497228008 /nfs/dbraw/zinc/22/80/08/497228008.db2.gz KOQCJYCLWOIMKH-INIZCTEOSA-N 1 0 354.498 3.291 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000271179118 497282673 /nfs/dbraw/zinc/28/26/73/497282673.db2.gz LDXBHMAVQHZSSK-DZGCQCFKSA-N 1 0 350.459 3.136 20 10 FGCDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000271780124 497446567 /nfs/dbraw/zinc/44/65/67/497446567.db2.gz HLZFTCZKHPAGNZ-CYBMUJFWSA-N 1 0 374.403 3.024 20 10 FGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c(=O)n1C ZINC000279583369 497478406 /nfs/dbraw/zinc/47/84/06/497478406.db2.gz UUBWPBVRIFBKCN-NSHDSACASA-N 1 0 351.244 3.013 20 10 FGCDRO CCOC1CC(C[NH2+][C@@H](CC)c2ccc(C)cc2O)(N2CCOCC2)C1 ZINC000280093848 497647281 /nfs/dbraw/zinc/64/72/81/497647281.db2.gz MQLVXUZTHNLVFL-BIXGBWIQSA-N 1 0 362.514 3.011 20 10 FGCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CS1 ZINC000277191823 497771412 /nfs/dbraw/zinc/77/14/12/497771412.db2.gz ITVTUWUFXLXPRU-HNAYVOBHSA-N 1 0 352.519 3.407 20 10 FGCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000273132103 497802255 /nfs/dbraw/zinc/80/22/55/497802255.db2.gz BWOFFEQRJJRPPJ-MRXNPFEDSA-N 1 0 368.477 3.057 20 10 FGCDRO O=C(CN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1)Nc1ccccc1 ZINC000295872127 497838373 /nfs/dbraw/zinc/83/83/73/497838373.db2.gz HDIRUXMEGDRUPV-IBGZPJMESA-N 1 0 365.477 3.072 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296179590 497945917 /nfs/dbraw/zinc/94/59/17/497945917.db2.gz CCPLLSDYOYBWCU-UHFFFAOYSA-N 1 0 356.514 3.103 20 10 FGCDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1Cl ZINC000296258964 497973645 /nfs/dbraw/zinc/97/36/45/497973645.db2.gz BPPUCUKYZDEBDR-AWEZNQCLSA-N 1 0 351.855 3.226 20 10 FGCDRO COc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1O ZINC000289419551 498139608 /nfs/dbraw/zinc/13/96/08/498139608.db2.gz IWMJDRPNPINCMF-UHFFFAOYSA-N 1 0 374.868 3.449 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc(Br)cc(C)c2O)c1O ZINC000289431477 498144330 /nfs/dbraw/zinc/14/43/30/498144330.db2.gz KUPFRSIOYZIANF-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000290009123 498391678 /nfs/dbraw/zinc/39/16/78/498391678.db2.gz ZKBZPVNEXUVBDN-AWEZNQCLSA-N 1 0 360.429 3.227 20 10 FGCDRO CCOc1cccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1O ZINC000282227808 498431219 /nfs/dbraw/zinc/43/12/19/498431219.db2.gz NEBVEOKNQMEVEP-UHFFFAOYSA-N 1 0 356.344 3.417 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1O ZINC000361988233 498449163 /nfs/dbraw/zinc/44/91/63/498449163.db2.gz DGPFOLBHEGLEDW-HNNXBMFYSA-N 1 0 362.271 3.209 20 10 FGCDRO CCOCc1cc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)ccc1OC ZINC000293755488 498478461 /nfs/dbraw/zinc/47/84/61/498478461.db2.gz XEORSVYPZZTLPI-FQEVSTJZSA-N 1 0 358.482 3.476 20 10 FGCDRO COCCCn1nccc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000282541534 498552661 /nfs/dbraw/zinc/55/26/61/498552661.db2.gz BVDFZTLMNRLFSV-UHFFFAOYSA-N 1 0 356.514 3.446 20 10 FGCDRO CCOCc1cc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1OC ZINC000365669182 498589066 /nfs/dbraw/zinc/58/90/66/498589066.db2.gz SDMGUBTWOJYXJP-VQTJNVASSA-N 1 0 363.498 3.032 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000363176237 498688174 /nfs/dbraw/zinc/68/81/74/498688174.db2.gz GZDJDGMXUMPKLH-UWJYYQICSA-N 1 0 372.513 3.087 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2F)C[C@H](C)O1 ZINC000290829060 498692445 /nfs/dbraw/zinc/69/24/45/498692445.db2.gz HUHIZQNLFKNASX-OKILXGFUSA-N 1 0 369.444 3.000 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc(Br)ccc1O ZINC000283173958 498807118 /nfs/dbraw/zinc/80/71/18/498807118.db2.gz JJPRDNPGPKXEFZ-IINYFYTJSA-N 1 0 353.260 3.007 20 10 FGCDRO Cc1csc2nc(C[N@@H+](Cc3ccc(N(C)C)cc3)C3CC3)cc(=O)n12 ZINC000298798168 498881580 /nfs/dbraw/zinc/88/15/80/498881580.db2.gz WQIWJXAJDGIKMH-UHFFFAOYSA-N 1 0 368.506 3.295 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)cc1OC ZINC000295054456 498894653 /nfs/dbraw/zinc/89/46/53/498894653.db2.gz GAJGNDKPIHQMDP-ZDUSSCGKSA-N 1 0 368.474 3.192 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000283488363 498901858 /nfs/dbraw/zinc/90/18/58/498901858.db2.gz XTDOUOWTSMECIG-XERREHJYSA-N 1 0 359.510 3.489 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283628619 498941039 /nfs/dbraw/zinc/94/10/39/498941039.db2.gz SBBLJKDVPZXNBU-UHFFFAOYSA-N 1 0 359.401 3.203 20 10 FGCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366565986 498980650 /nfs/dbraw/zinc/98/06/50/498980650.db2.gz FNFUQGKPEBTKHK-QGZVFWFLSA-N 1 0 373.522 3.139 20 10 FGCDRO CCOc1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)ccc1O ZINC000299171590 498985753 /nfs/dbraw/zinc/98/57/53/498985753.db2.gz SKDQNULYMYWXAG-UHFFFAOYSA-N 1 0 370.493 3.289 20 10 FGCDRO COC1CCN(c2ccc(C[NH+]3CCC(NC(=O)C(C)C)CC3)cc2)CC1 ZINC000295553602 499050377 /nfs/dbraw/zinc/05/03/77/499050377.db2.gz PQMWXRHJPJVUQR-UHFFFAOYSA-N 1 0 373.541 3.038 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c(C)n1-c1ccccn1 ZINC000366837728 499089832 /nfs/dbraw/zinc/08/98/32/499089832.db2.gz APHVROYBXXTIFR-MJGOQNOKSA-N 1 0 352.482 3.093 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1O ZINC000367068205 499143258 /nfs/dbraw/zinc/14/32/58/499143258.db2.gz PXTZTGHJAOLRSJ-FSBGKCOPSA-N 1 0 367.287 3.171 20 10 FGCDRO [NH2+]=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000369991792 499162469 /nfs/dbraw/zinc/16/24/69/499162469.db2.gz WFALEVXMVNXXSZ-IBGZPJMESA-N 1 0 350.466 3.425 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c(O)c1 ZINC000367343620 499185144 /nfs/dbraw/zinc/18/51/44/499185144.db2.gz NURJOOYLNUIZNS-INIZCTEOSA-N 1 0 372.465 3.416 20 10 FGCDRO COc1ccc(C(=O)N2CCC[N@H+](Cc3cccc(C)c3O)CC2)cc1 ZINC000367745179 499230125 /nfs/dbraw/zinc/23/01/25/499230125.db2.gz DNTWLKSHZNPXDH-UHFFFAOYSA-N 1 0 354.450 3.057 20 10 FGCDRO CCn1ncc2c1CCC[C@H]2[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000371485140 499333001 /nfs/dbraw/zinc/33/30/01/499333001.db2.gz KSOVMMDOOHZQKS-OXJNMPFZSA-N 1 0 354.498 3.468 20 10 FGCDRO Cc1cnn(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)c1 ZINC000369383599 499398033 /nfs/dbraw/zinc/39/80/33/499398033.db2.gz MIEQRYGYZXFKOE-UHFFFAOYSA-N 1 0 350.260 3.497 20 10 FGCDRO CC[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccccc1O ZINC000372337635 499422175 /nfs/dbraw/zinc/42/21/75/499422175.db2.gz NRWBSHCOGSVUHI-DGCLKSJQSA-N 1 0 354.376 3.349 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000373251110 499459752 /nfs/dbraw/zinc/45/97/52/499459752.db2.gz CNLKMVALEQUINJ-MRXNPFEDSA-N 1 0 355.482 3.154 20 10 FGCDRO Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC[NH+](C)CC2)c(O)c1O ZINC000378560584 499531793 /nfs/dbraw/zinc/53/17/93/499531793.db2.gz NHFOYQKVYDEDSU-UHFFFAOYSA-N 1 0 372.440 3.282 20 10 FGCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(F)ccc1O ZINC000376132837 499585623 /nfs/dbraw/zinc/58/56/23/499585623.db2.gz RTWGHORYQSXZJM-LLVKDONJSA-N 1 0 365.836 3.468 20 10 FGCDRO COc1cc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2N(C)C)cc1OC ZINC000376484362 499611726 /nfs/dbraw/zinc/61/17/26/499611726.db2.gz MFBGOQPPUXZOND-UTKZUKDTSA-N 1 0 356.466 3.117 20 10 FGCDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000579344935 506152339 /nfs/dbraw/zinc/15/23/39/506152339.db2.gz NEQSHTXLHBRVFV-SFHVURJKSA-N 1 0 368.477 3.163 20 10 FGCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000377668955 499717371 /nfs/dbraw/zinc/71/73/71/499717371.db2.gz GIWNCNRWACICMP-IAGOWNOFSA-N 1 0 365.433 3.028 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(F)(F)F)C1 ZINC000424957516 499977209 /nfs/dbraw/zinc/97/72/09/499977209.db2.gz UYHCYWFYYXXELH-ZDUSSCGKSA-N 1 0 367.415 3.475 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418100193 500229529 /nfs/dbraw/zinc/22/95/29/500229529.db2.gz OZTVXNCLLLJWJO-KRWDZBQOSA-N 1 0 354.498 3.018 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)ccc21 ZINC000457119255 501653912 /nfs/dbraw/zinc/65/39/12/501653912.db2.gz NIHTUGJAHOYJPR-LJQANCHMSA-N 1 0 371.525 3.459 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(CF)CCC2)C1 ZINC000517374705 503729391 /nfs/dbraw/zinc/72/93/91/503729391.db2.gz MTLWALJHIDQDRA-UHFFFAOYSA-N 1 0 357.473 3.416 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)ccc21 ZINC000583032163 506552130 /nfs/dbraw/zinc/55/21/30/506552130.db2.gz BYKASRHSWHSYKO-JOCHJYFZSA-N 1 0 369.509 3.120 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826268801 609145492 /nfs/dbraw/zinc/14/54/92/609145492.db2.gz OCYHAOPMPKIUBP-CYBMUJFWSA-N 1 0 354.433 3.231 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCCCC1 ZINC000076118525 700224466 /nfs/dbraw/zinc/22/44/66/700224466.db2.gz IKHFIOKDGSRBHS-CYBMUJFWSA-N 1 0 369.303 3.378 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCCCC1 ZINC000076118524 700224696 /nfs/dbraw/zinc/22/46/96/700224696.db2.gz IKHFIOKDGSRBHS-ZDUSSCGKSA-N 1 0 369.303 3.378 20 10 FGCDRO COc1cc(Br)cc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000093686549 700453585 /nfs/dbraw/zinc/45/35/85/700453585.db2.gz FPHOAAKWKPKNLU-UHFFFAOYSA-N 1 0 374.275 3.327 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1O ZINC000105442786 700501043 /nfs/dbraw/zinc/50/10/43/700501043.db2.gz UVZLLONRIZCTIO-NSHDSACASA-N 1 0 368.275 3.094 20 10 FGCDRO O=[S@](CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000111233003 700547142 /nfs/dbraw/zinc/54/71/42/700547142.db2.gz PZPBUWBOCDPSGS-BVZFJXPGSA-N 1 0 359.491 3.181 20 10 FGCDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000121040221 700664418 /nfs/dbraw/zinc/66/44/18/700664418.db2.gz BCRNXQPBFBGEDT-DOTOQJQBSA-N 1 0 368.905 3.023 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2cccs2)c1O ZINC000152996940 704981924 /nfs/dbraw/zinc/98/19/24/704981924.db2.gz SRTKPMBYCHEPFD-OAHLLOKOSA-N 1 0 372.284 3.222 20 10 FGCDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(O)c1O ZINC000177677433 705634835 /nfs/dbraw/zinc/63/48/35/705634835.db2.gz NHRCEVYHZLYZPK-AWEZNQCLSA-N 1 0 360.479 3.110 20 10 FGCDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000178693677 705672860 /nfs/dbraw/zinc/67/28/60/705672860.db2.gz HLUPTRVPVOIBTF-NSHDSACASA-N 1 0 364.287 3.324 20 10 FGCDRO [NH3+]CC1(CC(=O)NCc2ccc(N3CCSCC3)cc2)CCCCC1 ZINC000184226561 705924306 /nfs/dbraw/zinc/92/43/06/705924306.db2.gz OGLOLEYRKCFSEO-UHFFFAOYSA-N 1 0 361.555 3.155 20 10 FGCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000184831566 712676759 /nfs/dbraw/zinc/67/67/59/712676759.db2.gz VYTIBKJKBCREGJ-UHFFFAOYSA-N 1 0 351.512 3.493 20 10 FGCDRO Cc1cc(O)c(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1C ZINC000186132078 712710015 /nfs/dbraw/zinc/71/00/15/712710015.db2.gz YLWUKPVQTOVUAU-UHFFFAOYSA-N 1 0 372.416 3.202 20 10 FGCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(OCC)ccc2O)CC1 ZINC000189372042 712792759 /nfs/dbraw/zinc/79/27/59/712792759.db2.gz WOAFWTVYVNVWIX-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)n1 ZINC000374256223 713908421 /nfs/dbraw/zinc/90/84/21/713908421.db2.gz MPLKPKLIFDRWFD-HNNXBMFYSA-N 1 0 365.275 3.028 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000774394274 723888413 /nfs/dbraw/zinc/88/84/13/723888413.db2.gz OXNLDUMGTGNDBG-OAHLLOKOSA-N 1 0 361.511 3.031 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCCOC1 ZINC000780723212 724495563 /nfs/dbraw/zinc/49/55/63/724495563.db2.gz HEKPIJVQCZIJSN-RLFYNMQTSA-N 1 0 352.906 3.415 20 10 FGCDRO C[C@H](C(=O)NCc1cc(Br)ccc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000804738105 724548126 /nfs/dbraw/zinc/54/81/26/724548126.db2.gz CBKZZUIORDKYGU-GRYCIOLGSA-N 1 0 355.276 3.032 20 10 FGCDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000725848251 722424840 /nfs/dbraw/zinc/42/48/40/722424840.db2.gz YXTJKERFYFIEGA-UHFFFAOYSA-N 1 0 368.886 3.022 20 10 FGCDRO Cc1nn(C)c2ncc(C[NH2+]Cc3cc(Br)ccc3O)cc12 ZINC000725851703 722424852 /nfs/dbraw/zinc/42/48/52/722424852.db2.gz WMQZXZFCEWGTJE-UHFFFAOYSA-N 1 0 361.243 3.035 20 10 FGCDRO Cc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1F ZINC000731500498 722475996 /nfs/dbraw/zinc/47/59/96/722475996.db2.gz IYLOMYQAGFMXCK-XNTDXEJSSA-N 1 0 350.484 3.430 20 10 FGCDRO O=C(Nc1nccs1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732232734 722482860 /nfs/dbraw/zinc/48/28/60/722482860.db2.gz HWAWKEDXDVBFGE-CYBMUJFWSA-N 1 0 366.874 3.288 20 10 FGCDRO CC[N@H+](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C1CC1 ZINC000749354114 722725804 /nfs/dbraw/zinc/72/58/04/722725804.db2.gz XFSKJCPTYVGEIJ-UHFFFAOYSA-N 1 0 357.420 3.128 20 10 FGCDRO CN(C)C[C@](C)(O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000752110410 722845452 /nfs/dbraw/zinc/84/54/52/722845452.db2.gz FEMPSOIMGSQJMU-OAQYLSRUSA-N 1 0 350.547 3.389 20 10 FGCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000753136977 722886645 /nfs/dbraw/zinc/88/66/45/722886645.db2.gz GIRFJNYZFRWUHM-RBUKOAKNSA-N 1 0 361.555 3.071 20 10 FGCDRO OCC[N@H+](Cc1cc(Br)cs1)Cc1cc(F)ccc1O ZINC000756120485 722961012 /nfs/dbraw/zinc/96/10/12/722961012.db2.gz IYPLSVYUJXDEMW-UHFFFAOYSA-N 1 0 360.248 3.350 20 10 FGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000756492983 722965534 /nfs/dbraw/zinc/96/55/34/722965534.db2.gz BJCGCMPWZGLWKX-VXGBXAGGSA-N 1 0 352.431 3.315 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(Br)ccc1O ZINC000756501302 722965701 /nfs/dbraw/zinc/96/57/01/722965701.db2.gz DATSPHPODBHCMW-GXSJLCMTSA-N 1 0 367.209 3.442 20 10 FGCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(Br)cc1O ZINC000756661666 722968445 /nfs/dbraw/zinc/96/84/45/722968445.db2.gz SLUNMNFXCRRMOP-NWDGAFQWSA-N 1 0 354.244 3.250 20 10 FGCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000758497328 722990700 /nfs/dbraw/zinc/99/07/00/722990700.db2.gz ZUBWPXFQUYRUOS-KRWDZBQOSA-N 1 0 358.507 3.108 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1F ZINC000792941933 723384640 /nfs/dbraw/zinc/38/46/40/723384640.db2.gz XFIZFXGIFAZTBA-UHFFFAOYSA-N 1 0 359.836 3.416 20 10 FGCDRO COC(=O)C(C)(C)CC[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000792979427 723389450 /nfs/dbraw/zinc/38/94/50/723389450.db2.gz IIMXEYCYOATJNF-INIZCTEOSA-N 1 0 368.905 3.189 20 10 FGCDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1OC ZINC000765263931 723499036 /nfs/dbraw/zinc/49/90/36/723499036.db2.gz ZVVDTXGCPATAAZ-RTBURBONSA-N 1 0 350.478 3.346 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765608848 723527410 /nfs/dbraw/zinc/52/74/10/723527410.db2.gz MKFJLDCPRRAYRZ-GFCCVEGCSA-N 1 0 367.417 3.469 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1O ZINC000794803869 723546707 /nfs/dbraw/zinc/54/67/07/723546707.db2.gz SNHNFDOHECLVBY-SFHVURJKSA-N 1 0 362.495 3.192 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000766027922 723551986 /nfs/dbraw/zinc/55/19/86/723551986.db2.gz BBCJFCBXNGGUAF-HNNXBMFYSA-N 1 0 361.511 3.283 20 10 FGCDRO C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384014 723571136 /nfs/dbraw/zinc/57/11/36/723571136.db2.gz VKRQBSLQUXUWIG-CVEARBPZSA-N 1 0 351.922 3.169 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463445 723658435 /nfs/dbraw/zinc/65/84/35/723658435.db2.gz TYDTZWGOYAXAPN-SUMWQHHRSA-N 1 0 361.825 3.125 20 10 FGCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769334753 723682743 /nfs/dbraw/zinc/68/27/43/723682743.db2.gz QXFLADIUIFYKOJ-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO COc1cccc(C[NH+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000769389652 723683970 /nfs/dbraw/zinc/68/39/70/723683970.db2.gz SFEJLMUPZJICPG-ZIAGYGMSSA-N 1 0 350.459 3.231 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1F ZINC000769416579 723684921 /nfs/dbraw/zinc/68/49/21/723684921.db2.gz ZLNHBALBBXMIQJ-QGZVFWFLSA-N 1 0 350.478 3.490 20 10 FGCDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769473900 723686551 /nfs/dbraw/zinc/68/65/51/723686551.db2.gz QDZFYOGLQLXQRM-RBUKOAKNSA-N 1 0 350.478 3.298 20 10 FGCDRO CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058314 723726957 /nfs/dbraw/zinc/72/69/57/723726957.db2.gz MMRBSESEWRSTLQ-LZLYRXPVSA-N 1 0 366.889 3.084 20 10 FGCDRO C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774114579 723860665 /nfs/dbraw/zinc/86/06/65/723860665.db2.gz GNMDYLVAGFCNIA-GFCCVEGCSA-N 1 0 360.329 3.376 20 10 FGCDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798003985 723897781 /nfs/dbraw/zinc/89/77/81/723897781.db2.gz KARPXJKUFNQVHF-BSEYFRJRSA-N 1 0 370.946 3.128 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1cc(Br)ccc1O ZINC000775501415 723996423 /nfs/dbraw/zinc/99/64/23/723996423.db2.gz PXVBRPOTNQQJTF-GXTWGEPZSA-N 1 0 371.275 3.426 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1O ZINC000775534128 723998756 /nfs/dbraw/zinc/99/87/56/723998756.db2.gz BXNJGHQGMZHIFB-UVBJJODRSA-N 1 0 362.861 3.014 20 10 FGCDRO CC[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Br)ccc1O ZINC000775555996 723999803 /nfs/dbraw/zinc/99/98/03/723999803.db2.gz UEIVUVDXMOUZSA-JKSUJKDBSA-N 1 0 372.303 3.373 20 10 FGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000775634215 724013534 /nfs/dbraw/zinc/01/35/34/724013534.db2.gz PALYHGCWHKVVSZ-LBPRGKRZSA-N 1 0 356.260 3.238 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2nsnc21)c1ccc(N(C)C)cc1 ZINC000775835705 724069260 /nfs/dbraw/zinc/06/92/60/724069260.db2.gz IGHSPPJETPSLFZ-GFCCVEGCSA-N 1 0 355.467 3.047 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000776020925 724098773 /nfs/dbraw/zinc/09/87/73/724098773.db2.gz COOSPMQSNRREIT-CQSZACIVSA-N 1 0 358.404 3.058 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1O ZINC000776257575 724124551 /nfs/dbraw/zinc/12/45/51/724124551.db2.gz YKGDJMXKESCZMF-CQSZACIVSA-N 1 0 356.260 3.238 20 10 FGCDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3cccc(Cl)c3O)cc21 ZINC000777493519 724231932 /nfs/dbraw/zinc/23/19/32/724231932.db2.gz GPOISNGQPXWCAR-UHFFFAOYSA-N 1 0 361.829 3.127 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CCCO1 ZINC000788618492 725076525 /nfs/dbraw/zinc/07/65/25/725076525.db2.gz GUSWCXQUDANNMU-MDASCCDHSA-N 1 0 368.905 3.021 20 10 FGCDRO CC[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)ccc1O ZINC000806179517 725119793 /nfs/dbraw/zinc/11/97/93/725119793.db2.gz SOHSGZYHZRUNDN-CJNGLKHVSA-N 1 0 365.271 3.367 20 10 FGCDRO CC[C@H]([NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000809663668 725257534 /nfs/dbraw/zinc/25/75/34/725257534.db2.gz SPPOQHLVMOMMOT-YJBOKZPZSA-N 1 0 362.495 3.190 20 10 FGCDRO Cc1cc(Cl)cc(C[N@H+](C)CCn2cc(Br)cn2)c1O ZINC000809793212 725269345 /nfs/dbraw/zinc/26/93/45/725269345.db2.gz ULGOTYUWODPWCN-UHFFFAOYSA-N 1 0 358.667 3.445 20 10 FGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810239876 725299035 /nfs/dbraw/zinc/29/90/35/725299035.db2.gz IXTVPBZMUMODBG-CYBMUJFWSA-N 1 0 353.406 3.275 20 10 FGCDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000810259743 725300468 /nfs/dbraw/zinc/30/04/68/725300468.db2.gz RLAJYQFCXCYFAM-AUUYWEPGSA-N 1 0 352.906 3.378 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000812782917 726811092 /nfs/dbraw/zinc/81/10/92/726811092.db2.gz PBLGDLOLUZVWSV-CYBMUJFWSA-N 1 0 364.804 3.088 20 10 FGCDRO CC[NH+](CC)CCSCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683873 726905040 /nfs/dbraw/zinc/90/50/40/726905040.db2.gz GCFKRYCXMSUDGZ-UHFFFAOYSA-N 1 0 365.326 3.390 20 10 FGCDRO CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815558942 727084005 /nfs/dbraw/zinc/08/40/05/727084005.db2.gz SDSDTHJNVIKDST-CQSZACIVSA-N 1 0 359.436 3.089 20 10 FGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)CCOCC1 ZINC000817589585 727268953 /nfs/dbraw/zinc/26/89/53/727268953.db2.gz ZCFKFHIYLRYESM-RYUDHWBXSA-N 1 0 358.276 3.389 20 10 FGCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Br)nc1 ZINC000817942073 727288853 /nfs/dbraw/zinc/28/88/53/727288853.db2.gz MDRRKEPELLCUSW-BLLLJJGKSA-N 1 0 363.303 3.261 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000818942096 727328636 /nfs/dbraw/zinc/32/86/36/727328636.db2.gz XFJDXUZZNVNCJD-GOSISDBHSA-N 1 0 352.400 3.465 20 10 FGCDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823997209 729315405 /nfs/dbraw/zinc/31/54/05/729315405.db2.gz WXTPZXKNSPQQCD-HNNXBMFYSA-N 1 0 366.552 3.297 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000824514645 729344534 /nfs/dbraw/zinc/34/45/34/729344534.db2.gz AJDIZXRTTVXKPJ-ZDUSSCGKSA-N 1 0 351.855 3.015 20 10 FGCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650314 729352975 /nfs/dbraw/zinc/35/29/75/729352975.db2.gz OEUDIEGVQFVZEM-CYBMUJFWSA-N 1 0 369.303 3.139 20 10 FGCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824870502 729363030 /nfs/dbraw/zinc/36/30/30/729363030.db2.gz SLRZTAYCQCGFPG-GFCCVEGCSA-N 1 0 356.260 3.318 20 10 FGCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825064189 729369391 /nfs/dbraw/zinc/36/93/91/729369391.db2.gz KHILXTSTQJAKRC-KRWDZBQOSA-N 1 0 351.830 3.194 20 10 FGCDRO COC(=O)c1oc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1C ZINC000825126230 729372099 /nfs/dbraw/zinc/37/20/99/729372099.db2.gz PKWQONUSCAYDCG-UHFFFAOYSA-N 1 0 360.479 3.218 20 10 FGCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000825892752 729398737 /nfs/dbraw/zinc/39/87/37/729398737.db2.gz IRSWHBOVRZNVBO-CQSZACIVSA-N 1 0 355.276 3.035 20 10 FGCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000825892750 729398769 /nfs/dbraw/zinc/39/87/69/729398769.db2.gz IQNNBKOUDQZOKS-UHFFFAOYSA-N 1 0 364.165 3.197 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCCn2cc(Br)cn2)cc1Cl ZINC000825939933 729400208 /nfs/dbraw/zinc/40/02/08/729400208.db2.gz JBFCDKAUPUBZJP-UHFFFAOYSA-N 1 0 358.667 3.493 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000826899160 729418371 /nfs/dbraw/zinc/41/83/71/729418371.db2.gz CRYNPYXOHUZGIS-UHFFFAOYSA-N 1 0 362.271 3.440 20 10 FGCDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)s1 ZINC000827941043 729437488 /nfs/dbraw/zinc/43/74/88/729437488.db2.gz BJKRVYDLSTVZLW-ZDUSSCGKSA-N 1 0 362.451 3.024 20 10 FGCDRO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)s1 ZINC000827943348 729437523 /nfs/dbraw/zinc/43/75/23/729437523.db2.gz WGHHSAYPTXQWIB-GFCCVEGCSA-N 1 0 362.451 3.024 20 10 FGCDRO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)s1 ZINC000827942902 729437544 /nfs/dbraw/zinc/43/75/44/729437544.db2.gz UHXHAZZRZOZRNV-NSHDSACASA-N 1 0 350.415 3.154 20 10 FGCDRO C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267037 729700969 /nfs/dbraw/zinc/70/09/69/729700969.db2.gz LRCGXJGPHKNZHE-LIRRHRJNSA-N 1 0 359.901 3.401 20 10 FGCDRO CC[C@@H](Sc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274858 729701572 /nfs/dbraw/zinc/70/15/72/729701572.db2.gz ZYEUVQNSPMAITJ-RTBURBONSA-N 1 0 357.523 3.440 20 10 FGCDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834896966 729845007 /nfs/dbraw/zinc/84/50/07/729845007.db2.gz PFLKELISPXHWRZ-GJZGRUSLSA-N 1 0 362.905 3.192 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000837307083 730016150 /nfs/dbraw/zinc/01/61/50/730016150.db2.gz YEBQUWTZVPXOOH-HZPDHXFCSA-N 1 0 357.885 3.429 20 10 FGCDRO Cc1cc(O)c(C[NH2+]CCCS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000840885692 730188062 /nfs/dbraw/zinc/18/80/62/730188062.db2.gz FWDYUBSANXUTAA-UHFFFAOYSA-N 1 0 353.871 3.308 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(Cl)c1 ZINC000840887046 730188413 /nfs/dbraw/zinc/18/84/13/730188413.db2.gz GFOAYMHEMYXJGS-UHFFFAOYSA-N 1 0 353.871 3.188 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc(Br)nn1C ZINC000840977122 730200350 /nfs/dbraw/zinc/20/03/50/730200350.db2.gz RPOFOKQFOOPKHE-ZDUSSCGKSA-N 1 0 365.319 3.278 20 10 FGCDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCc1ccc(N)cc1 ZINC000841035943 730205048 /nfs/dbraw/zinc/20/50/48/730205048.db2.gz QVDIPZGXBKNNJU-HNNXBMFYSA-N 1 0 359.901 3.492 20 10 FGCDRO C[NH2+]Cc1ccccc1NCc1cc(Br)cc(OC)c1O ZINC000841044158 730205655 /nfs/dbraw/zinc/20/56/55/730205655.db2.gz WUHUFOSHBYZPAB-UHFFFAOYSA-N 1 0 351.244 3.495 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2c(C3CC3)nc3sccn23)cc1 ZINC000841045461 730205701 /nfs/dbraw/zinc/20/57/01/730205701.db2.gz LFWKEJXTDDRBKE-INIZCTEOSA-N 1 0 355.511 3.129 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(Br)c(F)c2)cc1 ZINC000841045735 730205994 /nfs/dbraw/zinc/20/59/94/730205994.db2.gz PBQQAXJGHZUVQO-KRWDZBQOSA-N 1 0 366.278 3.444 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000841046151 730206102 /nfs/dbraw/zinc/20/61/02/730206102.db2.gz XCPUDNGXDRJAOW-MRXNPFEDSA-N 1 0 353.388 3.283 20 10 FGCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CO1 ZINC000841856826 730281509 /nfs/dbraw/zinc/28/15/09/730281509.db2.gz BKDGQLYQDQPQQG-AWEZNQCLSA-N 1 0 358.404 3.199 20 10 FGCDRO C[C@H]([NH3+])c1ccc(CNC(=O)NCCCSc2nccs2)cc1 ZINC000841858394 730281769 /nfs/dbraw/zinc/28/17/69/730281769.db2.gz YKRGMTPRUFCMCP-LBPRGKRZSA-N 1 0 350.513 3.144 20 10 FGCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000842643332 730524061 /nfs/dbraw/zinc/52/40/61/730524061.db2.gz NBWCTVYLQBMQKV-KRWDZBQOSA-N 1 0 352.356 3.046 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)ccc1O ZINC000842883578 730553467 /nfs/dbraw/zinc/55/34/67/730553467.db2.gz DWKXDMXEKAUPKU-GXFFZTMASA-N 1 0 355.276 3.205 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000843120773 730588223 /nfs/dbraw/zinc/58/82/23/730588223.db2.gz UHSOTEPIBNPFCA-MRXNPFEDSA-N 1 0 362.271 3.005 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000843400032 730614871 /nfs/dbraw/zinc/61/48/71/730614871.db2.gz VZCPCCKGMCFOMI-HIFRSBDPSA-N 1 0 350.459 3.136 20 10 FGCDRO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCN(C)C1 ZINC000843422684 730619305 /nfs/dbraw/zinc/61/93/05/730619305.db2.gz QBWXLGDLDSTGIB-AWEZNQCLSA-N 1 0 357.292 3.079 20 10 FGCDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000846056657 730924130 /nfs/dbraw/zinc/92/41/30/730924130.db2.gz WCSWQQXPGHJEAI-LBPRGKRZSA-N 1 0 358.825 3.210 20 10 FGCDRO CC(C)C[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846175919 730933747 /nfs/dbraw/zinc/93/37/47/730933747.db2.gz AASTXMDTZGFBTO-KRWDZBQOSA-N 1 0 351.510 3.291 20 10 FGCDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846215309 730936972 /nfs/dbraw/zinc/93/69/72/730936972.db2.gz PQHMFSGTXZFQJU-JXFKEZNVSA-N 1 0 350.478 3.398 20 10 FGCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)(F)CC1 ZINC000847073339 731015899 /nfs/dbraw/zinc/01/58/99/731015899.db2.gz FMUXCHOEYOQQRP-AWEZNQCLSA-N 1 0 353.457 3.172 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCn2cccn2)c1O ZINC000848517513 731174251 /nfs/dbraw/zinc/17/42/51/731174251.db2.gz DZSSOELUNKFMQK-NSHDSACASA-N 1 0 354.248 3.101 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1O ZINC000848520405 731174814 /nfs/dbraw/zinc/17/48/14/731174814.db2.gz ITJQGCINGSUJAN-IINYFYTJSA-N 1 0 357.292 3.154 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000848525084 731175311 /nfs/dbraw/zinc/17/53/11/731175311.db2.gz MSEOQJBWNFNSBU-PWSUYJOCSA-N 1 0 355.276 3.051 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000848533686 731176971 /nfs/dbraw/zinc/17/69/71/731176971.db2.gz JRFLHNPPSGOSIJ-SNVBAGLBSA-N 1 0 373.291 3.119 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOCC(F)F)c1O ZINC000848547537 731179522 /nfs/dbraw/zinc/17/95/22/731179522.db2.gz QMEVVSYWQIZNKL-QMMMGPOBSA-N 1 0 354.191 3.096 20 10 FGCDRO COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1O)[C@@H]1CCCO1 ZINC000848549012 731179823 /nfs/dbraw/zinc/17/98/23/731179823.db2.gz IXSJAASBOPMAND-SWHYSGLUSA-N 1 0 374.275 3.008 20 10 FGCDRO CCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000848910398 731219574 /nfs/dbraw/zinc/21/95/74/731219574.db2.gz KSHBRUFGQMELDH-CYBMUJFWSA-N 1 0 358.404 3.235 20 10 FGCDRO COCc1csc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000849173246 731233657 /nfs/dbraw/zinc/23/36/57/731233657.db2.gz DSCFGAXHCLWYED-ZSOIEALJSA-N 1 0 368.549 3.190 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CC3(O)CCC(F)(F)CC3)CC2)cc1 ZINC000850405667 731353492 /nfs/dbraw/zinc/35/34/92/731353492.db2.gz YIPJBHDWFOYQJG-UHFFFAOYSA-N 1 0 354.441 3.194 20 10 FGCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCC(O)(C(F)(F)F)CC3)C2)cc1 ZINC000850489429 731362632 /nfs/dbraw/zinc/36/26/32/731362632.db2.gz UGAPQRCZNGDZMT-XOYHFGRZSA-N 1 0 358.404 3.100 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cc(Br)ccc1O ZINC000850499313 731364718 /nfs/dbraw/zinc/36/47/18/731364718.db2.gz MYINKENYELGILF-JIMOISOXSA-N 1 0 351.248 3.493 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc2ccccc2c1O ZINC000850519159 731368103 /nfs/dbraw/zinc/36/81/03/731368103.db2.gz LFKFAZWZTGMPHA-NSHDSACASA-N 1 0 361.385 3.173 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850544076 731371525 /nfs/dbraw/zinc/37/15/25/731371525.db2.gz BZLRZUVZXZZPME-ZBFHGGJFSA-N 1 0 352.906 3.236 20 10 FGCDRO CC[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000850559985 731373322 /nfs/dbraw/zinc/37/33/22/731373322.db2.gz BFQDZKRBALABQS-GOEBONIOSA-N 1 0 351.878 3.376 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1O ZINC000850563296 731373597 /nfs/dbraw/zinc/37/35/97/731373597.db2.gz VRQXTWXTOVQDAW-HIFRSBDPSA-N 1 0 351.878 3.295 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc2Cl)C1 ZINC000851660416 731482915 /nfs/dbraw/zinc/48/29/15/731482915.db2.gz NLGUVWUPYJQAJM-CQSZACIVSA-N 1 0 366.937 3.455 20 10 FGCDRO CC[N@H+](CCO[C@H]1CC1(F)F)Cc1cc(Br)ccc1O ZINC000851791758 731498639 /nfs/dbraw/zinc/49/86/39/731498639.db2.gz CUKHLCDFFPOTBD-ZDUSSCGKSA-N 1 0 350.203 3.401 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(F)c(F)c3F)SC2=S)CC1 ZINC000853000148 731648414 /nfs/dbraw/zinc/64/84/14/731648414.db2.gz DYXRUPYVGOJKPQ-WQLSENKSSA-N 1 0 372.437 3.399 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000853122628 731668028 /nfs/dbraw/zinc/66/80/28/731668028.db2.gz RFEPDJYWNREXLP-HXUWFJFHSA-N 1 0 360.885 3.124 20 10 FGCDRO OCC[C@H](C[NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858142868 732185409 /nfs/dbraw/zinc/18/54/09/732185409.db2.gz PGNVLFNSEDLUCL-CQSZACIVSA-N 1 0 350.256 3.411 20 10 FGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000858179408 732189721 /nfs/dbraw/zinc/18/97/21/732189721.db2.gz MXQSYTOGNAGWDD-ZDUSSCGKSA-N 1 0 365.319 3.278 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000858186806 732190611 /nfs/dbraw/zinc/19/06/11/732190611.db2.gz MCTHICYWYUUYLS-UHFFFAOYSA-N 1 0 362.271 3.440 20 10 FGCDRO NC(=O)CC1(C[NH2+]Cc2c(O)cccc2Br)CCCCC1 ZINC000858195371 732191315 /nfs/dbraw/zinc/19/13/15/732191315.db2.gz UHXCFJNBPHTPII-UHFFFAOYSA-N 1 0 355.276 3.070 20 10 FGCDRO CCO[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241896 732480102 /nfs/dbraw/zinc/48/01/02/732480102.db2.gz MZTJELHLFTZIDH-AEFFLSMTSA-N 1 0 368.905 3.187 20 10 FGCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000861630782 732712071 /nfs/dbraw/zinc/71/20/71/732712071.db2.gz VHMXLAUTOHSUFN-GRDNDAEWSA-N 1 0 364.921 3.126 20 10 FGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000862292541 732805935 /nfs/dbraw/zinc/80/59/35/732805935.db2.gz HRSVKBGEHSYMOJ-QGZVFWFLSA-N 1 0 366.230 3.387 20 10 FGCDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348908 732812860 /nfs/dbraw/zinc/81/28/60/732812860.db2.gz YMNNOJIUOHFBOW-NOZJJQNGSA-N 1 0 368.193 3.290 20 10 FGCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862350226 732813014 /nfs/dbraw/zinc/81/30/14/732813014.db2.gz MEXYPUHORFJQBI-LBPRGKRZSA-N 1 0 350.260 3.268 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC000862464438 732837979 /nfs/dbraw/zinc/83/79/79/732837979.db2.gz YQFWZNNLOCRGLJ-RHSMWYFYSA-N 1 0 353.340 3.425 20 10 FGCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866463576 733352995 /nfs/dbraw/zinc/35/29/95/733352995.db2.gz BOPQILIXWPJVQG-PGUXBMHVSA-N 1 0 366.811 3.139 20 10 FGCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)[nH]1 ZINC000876942785 736165955 /nfs/dbraw/zinc/16/59/55/736165955.db2.gz FNCGPOQRIHVCPH-UHFFFAOYSA-N 1 0 359.495 3.034 20 10 FGCDRO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879649751 737023287 /nfs/dbraw/zinc/02/32/87/737023287.db2.gz FUTRRZKCNGRRKE-NWDGAFQWSA-N 1 0 362.451 3.227 20 10 FGCDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000881626803 737358917 /nfs/dbraw/zinc/35/89/17/737358917.db2.gz PZSSLBGNNVARIC-UHFFFAOYSA-N 1 0 350.434 3.108 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNCc3occc3Br)cc2)CC1 ZINC000883283476 737546746 /nfs/dbraw/zinc/54/67/46/737546746.db2.gz HEDKQUHUXYSZBJ-UHFFFAOYSA-N 1 0 364.287 3.084 20 10 FGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000885940649 739201210 /nfs/dbraw/zinc/20/12/10/739201210.db2.gz OJJJFVWKRKPCCK-FUHWJXTLSA-N 1 0 350.478 3.224 20 10 FGCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)CC1 ZINC000886325485 739244217 /nfs/dbraw/zinc/24/42/17/739244217.db2.gz HNQAZFJUXLLBKN-UHFFFAOYSA-N 1 0 363.914 3.393 20 10 FGCDRO FC(F)(F)Cc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000892667969 740029363 /nfs/dbraw/zinc/02/93/63/740029363.db2.gz FOXCMCUQFADYTG-UHFFFAOYSA-N 1 0 371.428 3.374 20 10 FGCDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccsc2)c(O)c1OC ZINC000894864698 742344112 /nfs/dbraw/zinc/34/41/12/742344112.db2.gz QYGXCLDAGKSCLJ-UHFFFAOYSA-N 1 0 350.484 3.035 20 10 FGCDRO COc1cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000895837300 742460464 /nfs/dbraw/zinc/46/04/64/742460464.db2.gz KWLZGNBKOUMFNL-KRWDZBQOSA-N 1 0 361.404 3.445 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896983985 742626505 /nfs/dbraw/zinc/62/65/05/742626505.db2.gz GIXHBVSIZQENJN-AWEZNQCLSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000903181011 743818692 /nfs/dbraw/zinc/81/86/92/743818692.db2.gz MGNIGNUCSAYVNI-IAGOWNOFSA-N 1 0 358.404 3.364 20 10 FGCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000903235808 743827632 /nfs/dbraw/zinc/82/76/32/743827632.db2.gz VWHFPKMFJCKLBG-LBPRGKRZSA-N 1 0 368.886 3.195 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c1O ZINC000903273596 743833071 /nfs/dbraw/zinc/83/30/71/743833071.db2.gz BMRITCRTHMFEJL-LLVKDONJSA-N 1 0 356.239 3.480 20 10 FGCDRO COc1nn(C)cc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000903339338 743839083 /nfs/dbraw/zinc/83/90/83/743839083.db2.gz YOBGZVGUUVAFHY-SNVBAGLBSA-N 1 0 354.248 3.056 20 10 FGCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc(N2CCSCC2)n1 ZINC000922303369 758888537 /nfs/dbraw/zinc/88/85/37/758888537.db2.gz ILMXOZRLSYSFFQ-UHFFFAOYSA-N 1 0 355.507 3.250 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925860044 759562741 /nfs/dbraw/zinc/56/27/41/759562741.db2.gz YWDUFOSYKZVPQH-WDEREUQCSA-N 1 0 373.280 3.035 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCNc2ncccn2)c1O ZINC000779027689 724382577 /nfs/dbraw/zinc/38/25/77/724382577.db2.gz SLLDTBNVDLISLK-LBPRGKRZSA-N 1 0 365.275 3.406 20 10 FGCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779040846 724383775 /nfs/dbraw/zinc/38/37/75/724383775.db2.gz MAIBTZQGIFLHPO-ZKYQVNSYSA-N 1 0 355.276 3.028 20 10 FGCDRO Cc1nnccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000570891087 505604342 /nfs/dbraw/zinc/60/43/42/505604342.db2.gz VJTDCUPGUOWHKG-UHFFFAOYSA-N 1 0 363.465 3.145 20 10 FGCDRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000048606197 493839415 /nfs/dbraw/zinc/83/94/15/493839415.db2.gz YYIZODDNLQQYQO-GHVJWSGMSA-N 1 0 353.426 3.108 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000079438202 494455305 /nfs/dbraw/zinc/45/53/05/494455305.db2.gz CEZNTZHZBRYFBS-AWEZNQCLSA-N 1 0 368.412 3.156 20 10 FGCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000080105837 494597504 /nfs/dbraw/zinc/59/75/04/494597504.db2.gz GJYDNRUNRXAZFL-APWZRJJASA-N 1 0 353.466 3.245 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000127695829 494983418 /nfs/dbraw/zinc/98/34/18/494983418.db2.gz CUUHFPYWGCYQGS-IBGZPJMESA-N 1 0 358.482 3.373 20 10 FGCDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000122786478 495031398 /nfs/dbraw/zinc/03/13/98/495031398.db2.gz VTKTVFRTSCXRTQ-HNNXBMFYSA-N 1 0 371.481 3.277 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000123087254 495078476 /nfs/dbraw/zinc/07/84/76/495078476.db2.gz UKDNKBSOEVYHCT-UHFFFAOYSA-N 1 0 354.450 3.185 20 10 FGCDRO Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2O)[NH+]2CCCC2)o1 ZINC000102038191 495117480 /nfs/dbraw/zinc/11/74/80/495117480.db2.gz UEMCJDMBPDJMNO-KRWDZBQOSA-N 1 0 357.454 3.272 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCC(=O)NC3CCCCC3)CC2)cc1 ZINC000128700699 495137080 /nfs/dbraw/zinc/13/70/80/495137080.db2.gz AZAYHCIWFSFDCM-UHFFFAOYSA-N 1 0 359.514 3.093 20 10 FGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1C ZINC000130057543 495334914 /nfs/dbraw/zinc/33/49/14/495334914.db2.gz OFCKUHNVTKOQAV-BZUAXINKSA-N 1 0 353.457 3.329 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000130429859 495390929 /nfs/dbraw/zinc/39/09/29/495390929.db2.gz ROBMPKSXIYTVNR-JLTOFOAXSA-N 1 0 362.420 3.186 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185605408 495640720 /nfs/dbraw/zinc/64/07/20/495640720.db2.gz QGINEZFXRLKBSA-IBGZPJMESA-N 1 0 358.413 3.123 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000179687244 495690174 /nfs/dbraw/zinc/69/01/74/495690174.db2.gz WELFGIOGITVYGS-UHFFFAOYSA-N 1 0 354.450 3.104 20 10 FGCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000183022790 495802009 /nfs/dbraw/zinc/80/20/09/495802009.db2.gz IEJFGWFLQAUIBV-UHFFFAOYSA-N 1 0 364.449 3.400 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1OC ZINC000159786384 495808734 /nfs/dbraw/zinc/80/87/34/495808734.db2.gz SUSSZPMSYDMVDH-NRFANRHFSA-N 1 0 357.450 3.355 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Br)ccc1O ZINC000186027460 495827119 /nfs/dbraw/zinc/82/71/19/495827119.db2.gz CXZFWYJIQYUBGE-JTQLQIEISA-N 1 0 364.305 3.019 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000186040827 495832339 /nfs/dbraw/zinc/83/23/39/495832339.db2.gz LWEXLPNUKHEBQH-INIZCTEOSA-N 1 0 373.522 3.143 20 10 FGCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc4ccccc4c3O)C2=O)n(C)n1 ZINC000186083268 495848434 /nfs/dbraw/zinc/84/84/34/495848434.db2.gz YQEMTAYZULVGJS-KSSFIOAISA-N 1 0 364.449 3.043 20 10 FGCDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186164356 495879791 /nfs/dbraw/zinc/87/97/91/495879791.db2.gz LFQBREOWPUBDLR-GJZGRUSLSA-N 1 0 363.479 3.304 20 10 FGCDRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1O ZINC000186349796 495959647 /nfs/dbraw/zinc/95/96/47/495959647.db2.gz MBWDZYMHPAZYAR-SCLBCKFNSA-N 1 0 357.429 3.154 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000177274302 496002886 /nfs/dbraw/zinc/00/28/86/496002886.db2.gz WKIDQMIAYUWULK-CQSZACIVSA-N 1 0 366.889 3.232 20 10 FGCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155661596 496027446 /nfs/dbraw/zinc/02/74/46/496027446.db2.gz HAHYZSZPKADJGJ-FQEVSTJZSA-N 1 0 368.525 3.223 20 10 FGCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(F)ccc3O)cc2)C[C@@H](C)O1 ZINC000180520597 496030974 /nfs/dbraw/zinc/03/09/74/496030974.db2.gz CJMVMZFTISVEDL-HUUCEWRRSA-N 1 0 372.440 3.071 20 10 FGCDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186566103 496048819 /nfs/dbraw/zinc/04/88/19/496048819.db2.gz VOFHZWWWJVSLMA-OLZOCXBDSA-N 1 0 360.329 3.376 20 10 FGCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cc(Br)ccc2O)C1 ZINC000156376430 496228418 /nfs/dbraw/zinc/22/84/18/496228418.db2.gz LHMREKVZXZQWMI-JSGCOSHPSA-N 1 0 355.276 3.206 20 10 FGCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1O)CC2 ZINC000187146776 496312934 /nfs/dbraw/zinc/31/29/34/496312934.db2.gz QAJMOFWVDJIMQT-GXFFZTMASA-N 1 0 365.275 3.029 20 10 FGCDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000184982904 496610321 /nfs/dbraw/zinc/61/03/21/496610321.db2.gz FWVIBZSJUIYYFM-LBPRGKRZSA-N 1 0 369.303 3.452 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000185109469 496664526 /nfs/dbraw/zinc/66/45/26/496664526.db2.gz ISPIEHYJDPWUSB-LSDHHAIUSA-N 1 0 362.495 3.363 20 10 FGCDRO COc1ccsc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000268713324 496764978 /nfs/dbraw/zinc/76/49/78/496764978.db2.gz DXGJFEIPOUWSSR-LCYFTJDESA-N 1 0 354.522 3.052 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000273288653 496765255 /nfs/dbraw/zinc/76/52/55/496765255.db2.gz RVXCQPDDPWYYEB-GCJKJVERSA-N 1 0 354.494 3.168 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1 ZINC000273363380 496783934 /nfs/dbraw/zinc/78/39/34/496783934.db2.gz AXGKEJSBPRPNCR-AWEZNQCLSA-N 1 0 360.429 3.227 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387929 496791771 /nfs/dbraw/zinc/79/17/71/496791771.db2.gz KAESHYUUTQUEKN-AWEZNQCLSA-N 1 0 359.426 3.092 20 10 FGCDRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000273396475 496793837 /nfs/dbraw/zinc/79/38/37/496793837.db2.gz LYXGLCVCKIGCKY-ZDUSSCGKSA-N 1 0 353.871 3.311 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000273446620 496808642 /nfs/dbraw/zinc/80/86/42/496808642.db2.gz KFMCLFJXPJTQOX-KRWDZBQOSA-N 1 0 360.546 3.405 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000273463012 496812618 /nfs/dbraw/zinc/81/26/18/496812618.db2.gz DDSAGWGHFMDBNZ-LSDHHAIUSA-N 1 0 362.495 3.363 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1F ZINC000277665530 496846881 /nfs/dbraw/zinc/84/68/81/496846881.db2.gz OMXGGJOLIDLJJT-UHFFFAOYSA-N 1 0 357.477 3.221 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273618382 496854839 /nfs/dbraw/zinc/85/48/39/496854839.db2.gz YHDNQVWKYZTOHO-XIKOKIGWSA-N 1 0 355.413 3.021 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CC(=O)OC)c2ccncc2)cc1 ZINC000191905439 496927342 /nfs/dbraw/zinc/92/73/42/496927342.db2.gz KBSJHDYDXSMDCW-OAQYLSRUSA-N 1 0 355.482 3.496 20 10 FGCDRO Cn1c2ccccc2nc1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265627400 497149791 /nfs/dbraw/zinc/14/97/91/497149791.db2.gz DHWXMWSCHUXQBN-UHFFFAOYSA-N 1 0 364.493 3.084 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1OC ZINC000278570877 497155655 /nfs/dbraw/zinc/15/56/55/497155655.db2.gz CABNLLWDTLRZPI-UHFFFAOYSA-N 1 0 371.477 3.227 20 10 FGCDRO CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278907731 497262422 /nfs/dbraw/zinc/26/24/22/497262422.db2.gz SAPTYZJPOHCRTQ-UHFFFAOYSA-N 1 0 373.453 3.441 20 10 FGCDRO O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1CC[NH+](C2CC2)CC1 ZINC000278920470 497267571 /nfs/dbraw/zinc/26/75/71/497267571.db2.gz DANLRWYIDRQYTD-UHFFFAOYSA-N 1 0 361.449 3.209 20 10 FGCDRO CC[N@H+](Cc1cnn(CCOC)c1)Cc1cc(Br)ccc1O ZINC000271234284 497298797 /nfs/dbraw/zinc/29/87/97/497298797.db2.gz VWWHRBNFVDUKFI-UHFFFAOYSA-N 1 0 368.275 3.020 20 10 FGCDRO Cc1cc(Br)cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC000271700170 497422729 /nfs/dbraw/zinc/42/27/29/497422729.db2.gz CMMVGICMSHDQLT-UHFFFAOYSA-N 1 0 369.303 3.200 20 10 FGCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2F)CC1 ZINC000193991195 497542015 /nfs/dbraw/zinc/54/20/15/497542015.db2.gz IXDRMKIMEZITHR-DUXKGJEZSA-N 1 0 374.500 3.224 20 10 FGCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000245948553 497581781 /nfs/dbraw/zinc/58/17/81/497581781.db2.gz WCEJEIMSZJOJJY-PWRODBHTSA-N 1 0 358.526 3.189 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555509 497662202 /nfs/dbraw/zinc/66/22/02/497662202.db2.gz ZHEMRKSWYNSLGW-GRWKNNQQSA-N 1 0 366.461 3.138 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc2c(cc1O)CCCC2 ZINC000277019194 497717467 /nfs/dbraw/zinc/71/74/67/497717467.db2.gz DBTMSJZPHOSLSG-HNNXBMFYSA-N 1 0 352.482 3.381 20 10 FGCDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1O ZINC000277216343 497778882 /nfs/dbraw/zinc/77/88/82/497778882.db2.gz LRFHSELGVWDKMW-KRWDZBQOSA-N 1 0 370.493 3.348 20 10 FGCDRO O=C(NCc1ccccc1O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000263697280 497809377 /nfs/dbraw/zinc/80/93/77/497809377.db2.gz HSHGTDRONIWFBW-OAHLLOKOSA-N 1 0 359.495 3.165 20 10 FGCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]31)OCO2 ZINC000285176821 498013481 /nfs/dbraw/zinc/01/34/81/498013481.db2.gz QTQRXBUKSMROAL-SQNIBIBYSA-N 1 0 353.418 3.125 20 10 FGCDRO CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccc(N(C)C)cc1 ZINC000296460388 498052106 /nfs/dbraw/zinc/05/21/06/498052106.db2.gz NFWRCBSKYFOXAQ-LJQANCHMSA-N 1 0 350.503 3.006 20 10 FGCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296550552 498091544 /nfs/dbraw/zinc/09/15/44/498091544.db2.gz OQSGLOORYZGOEB-SFHVURJKSA-N 1 0 360.498 3.077 20 10 FGCDRO CC(C)[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1nncn1C ZINC000289380764 498126212 /nfs/dbraw/zinc/12/62/12/498126212.db2.gz MMRZDINFWBREDB-HNNXBMFYSA-N 1 0 355.408 3.387 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000289519438 498176253 /nfs/dbraw/zinc/17/62/53/498176253.db2.gz VFTMNNCRZFIETM-LJQANCHMSA-N 1 0 350.459 3.138 20 10 FGCDRO COc1c(O)c(C[NH2+]Cc2c(F)cccc2SC)ccc1[N+](=O)[O-] ZINC000289637265 498226750 /nfs/dbraw/zinc/22/67/50/498226750.db2.gz XHDKDWJJPBDEIE-UHFFFAOYSA-N 1 0 352.387 3.460 20 10 FGCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccn1C ZINC000362259116 498483069 /nfs/dbraw/zinc/48/30/69/498483069.db2.gz TUXPGKZBJBBCDH-ZDUSSCGKSA-N 1 0 350.413 3.341 20 10 FGCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286734520 498492512 /nfs/dbraw/zinc/49/25/12/498492512.db2.gz TXAPVIYKQRBAFY-PXNSSMCTSA-N 1 0 356.514 3.055 20 10 FGCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1O ZINC000283082596 498772905 /nfs/dbraw/zinc/77/29/05/498772905.db2.gz VSTQZZSJWCLRGN-QGZVFWFLSA-N 1 0 355.438 3.187 20 10 FGCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000295270671 498961061 /nfs/dbraw/zinc/96/10/61/498961061.db2.gz ZEIGTVXCLNDDQX-QFIPXVFZSA-N 1 0 368.521 3.337 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1O ZINC000363851447 499025893 /nfs/dbraw/zinc/02/58/93/499025893.db2.gz IJMSEFZDGLLBOD-IUODEOHRSA-N 1 0 360.433 3.107 20 10 FGCDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c(C)n1-c1ccccn1 ZINC000366837730 499089598 /nfs/dbraw/zinc/08/95/98/499089598.db2.gz APHVROYBXXTIFR-PKOBYXMFSA-N 1 0 352.482 3.093 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588622 499150033 /nfs/dbraw/zinc/15/00/33/499150033.db2.gz CGPAUWVGGLODPG-GJZGRUSLSA-N 1 0 374.485 3.175 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1O ZINC000367348245 499185858 /nfs/dbraw/zinc/18/58/58/499185858.db2.gz GOGHVGFKRRHTIP-AWEZNQCLSA-N 1 0 350.260 3.364 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1O ZINC000367348246 499186081 /nfs/dbraw/zinc/18/60/81/499186081.db2.gz GOGHVGFKRRHTIP-CQSZACIVSA-N 1 0 350.260 3.364 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1F ZINC000367349290 499186097 /nfs/dbraw/zinc/18/60/97/499186097.db2.gz NQYDXXTUWJBJLM-MRXNPFEDSA-N 1 0 359.445 3.127 20 10 FGCDRO CC[C@@H](c1ccccc1O)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000367376685 499191190 /nfs/dbraw/zinc/19/11/90/499191190.db2.gz CULIUUYUHIDWBG-BQFCYCMXSA-N 1 0 358.461 3.178 20 10 FGCDRO COc1ccc(N2CCC([NH2+]C3CCN(C(=O)CC(C)C)CC3)CC2)cc1 ZINC000370652159 499240125 /nfs/dbraw/zinc/24/01/25/499240125.db2.gz MYBKGGJPBDMORU-UHFFFAOYSA-N 1 0 373.541 3.291 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3cn(CCOC)nc32)c(O)c1 ZINC000368084053 499262263 /nfs/dbraw/zinc/26/22/63/499262263.db2.gz CESAFWFWEQATNA-SFHVURJKSA-N 1 0 359.470 3.191 20 10 FGCDRO CC(C)c1nc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)no1 ZINC000371332014 499311723 /nfs/dbraw/zinc/31/17/23/499311723.db2.gz MJVCMSMFTQVYCY-UHFFFAOYSA-N 1 0 370.497 3.409 20 10 FGCDRO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3c(O)ccc4ccccc43)C2)no1 ZINC000371375950 499317055 /nfs/dbraw/zinc/31/70/55/499317055.db2.gz WQNCUUHBEMKUDL-KRWDZBQOSA-N 1 0 366.465 3.333 20 10 FGCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371567201 499342725 /nfs/dbraw/zinc/34/27/25/499342725.db2.gz YWDJXTKUCWBVFZ-GOSISDBHSA-N 1 0 358.482 3.015 20 10 FGCDRO c1nn([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c2ccccc12 ZINC000371581979 499344404 /nfs/dbraw/zinc/34/44/04/499344404.db2.gz SYXAQEJXYJVMEX-OAQYLSRUSA-N 1 0 362.477 3.320 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(N(C)C)cc1 ZINC000369443259 499404030 /nfs/dbraw/zinc/40/40/30/499404030.db2.gz OFXVMEKFQXGRRA-MAUKXSAKSA-N 1 0 369.513 3.328 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C)n2)C1)c1ccc(N(C)C)cc1 ZINC000369518081 499411861 /nfs/dbraw/zinc/41/18/61/499411861.db2.gz ISTLIHKUWVQGQZ-PKOBYXMFSA-N 1 0 357.502 3.149 20 10 FGCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1O ZINC000369540680 499414701 /nfs/dbraw/zinc/41/47/01/499414701.db2.gz KDZQMVFSMMERMO-PXNSSMCTSA-N 1 0 354.450 3.100 20 10 FGCDRO CCCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC000372413347 499431800 /nfs/dbraw/zinc/43/18/00/499431800.db2.gz KLQZLPMWYJRUHM-UHFFFAOYSA-N 1 0 358.438 3.122 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(Cl)ccc1O ZINC000373258502 499460246 /nfs/dbraw/zinc/46/02/46/499460246.db2.gz ZKVZOABAKRBUEO-JSGCOSHPSA-N 1 0 359.857 3.074 20 10 FGCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c(O)c1 ZINC000373467311 499471627 /nfs/dbraw/zinc/47/16/27/499471627.db2.gz REFDNYHQYLKUMA-UHFFFAOYSA-N 1 0 374.868 3.449 20 10 FGCDRO Nc1ccc(CC(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000375515502 499527382 /nfs/dbraw/zinc/52/73/82/499527382.db2.gz SGEHPVXLRSCZII-FPOVZHCZSA-N 1 0 351.494 3.010 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000376151834 499586776 /nfs/dbraw/zinc/58/67/76/499586776.db2.gz XATQOTRGJATPDS-JTSKRJEESA-N 1 0 352.478 3.488 20 10 FGCDRO Oc1ccc(Br)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000376507686 499613556 /nfs/dbraw/zinc/61/35/56/499613556.db2.gz XLWFJEOVKJPTLD-ZDUSSCGKSA-N 1 0 370.287 3.172 20 10 FGCDRO CC(=O)c1cc(Cl)cc(CN2CCOC3(CCOCC3)CC2)c1O ZINC000377252662 499674103 /nfs/dbraw/zinc/67/41/03/499674103.db2.gz SAOPKTNAXLYGRO-UHFFFAOYSA-N 1 0 353.846 3.020 20 10 FGCDRO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000377826536 499739383 /nfs/dbraw/zinc/73/93/83/499739383.db2.gz NNHXEXXMISNGKP-UHFFFAOYSA-N 1 0 374.488 3.011 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000435614515 501002187 /nfs/dbraw/zinc/00/21/87/501002187.db2.gz FDTCPSBJENHOTJ-SJORKVTESA-N 1 0 369.509 3.044 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000458332095 501422197 /nfs/dbraw/zinc/42/21/97/501422197.db2.gz LCUZMBDVASHSBZ-HOTGVXAUSA-N 1 0 369.534 3.124 20 10 FGCDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)[C@@H]1CCOC1 ZINC000462978135 502648746 /nfs/dbraw/zinc/64/87/46/502648746.db2.gz IRKGEZPRBGMJGJ-QGZVFWFLSA-N 1 0 369.509 3.045 20 10 FGCDRO CC[NH+]1CCC(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490181426 503124011 /nfs/dbraw/zinc/12/40/11/503124011.db2.gz GVDNFIFOMUJQTR-UHFFFAOYSA-N 1 0 357.498 3.119 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)CC[C@@H]3C)ccc21 ZINC000498708900 503244146 /nfs/dbraw/zinc/24/41/46/503244146.db2.gz XQXZCZFXVFUNHV-HNNXBMFYSA-N 1 0 357.498 3.071 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1O ZINC000527804746 503952286 /nfs/dbraw/zinc/95/22/86/503952286.db2.gz AYHWSZHNZUXVIY-HNNXBMFYSA-N 1 0 369.303 3.270 20 10 FGCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000528863837 504421076 /nfs/dbraw/zinc/42/10/76/504421076.db2.gz QSHWRCCVIUCJJW-MRXNPFEDSA-N 1 0 360.841 3.032 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCSC2)C1 ZINC000552853052 504775740 /nfs/dbraw/zinc/77/57/40/504775740.db2.gz IBHLRWRWTJREMI-INIZCTEOSA-N 1 0 371.550 3.420 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000565823528 504998445 /nfs/dbraw/zinc/99/84/45/504998445.db2.gz MTVIOMKKZQKONY-RBUKOAKNSA-N 1 0 362.477 3.042 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]Cc1cc(Br)ccc1F)OCO2 ZINC000042880410 695786392 /nfs/dbraw/zinc/78/63/92/695786392.db2.gz BTBXBFPGGVGBBQ-UHFFFAOYSA-N 1 0 354.175 3.312 20 10 FGCDRO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1n1ccnc1 ZINC000091959666 700429405 /nfs/dbraw/zinc/42/94/05/700429405.db2.gz UDGPHXLTGYGNNT-DOMZBBRYSA-N 1 0 350.260 3.434 20 10 FGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000092665221 700439508 /nfs/dbraw/zinc/43/95/08/700439508.db2.gz OLFPFJREXSLKLW-HZPDHXFCSA-N 1 0 351.922 3.036 20 10 FGCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092705926 700440318 /nfs/dbraw/zinc/44/03/18/700440318.db2.gz FSHXEWIQRYVKMV-ZDUSSCGKSA-N 1 0 369.303 3.139 20 10 FGCDRO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000119660521 700635354 /nfs/dbraw/zinc/63/53/54/700635354.db2.gz BJSNHDMMGGOQMF-OAHLLOKOSA-N 1 0 363.933 3.454 20 10 FGCDRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125491314 700736498 /nfs/dbraw/zinc/73/64/98/700736498.db2.gz NTTHCFBUQCYYIW-OXQOHEQNSA-N 1 0 350.478 3.256 20 10 FGCDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000130124455 700796669 /nfs/dbraw/zinc/79/66/69/700796669.db2.gz ZEQCLQVSZXLJLZ-HNNXBMFYSA-N 1 0 370.588 3.293 20 10 FGCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000179958806 705722378 /nfs/dbraw/zinc/72/23/78/705722378.db2.gz HSQMUDULJFKOOC-LLVKDONJSA-N 1 0 356.260 3.318 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)c1 ZINC000182437787 705842294 /nfs/dbraw/zinc/84/22/94/705842294.db2.gz KFUUOHHHWXXVOH-JTQLQIEISA-N 1 0 358.423 3.417 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000182440982 705842706 /nfs/dbraw/zinc/84/27/06/705842706.db2.gz XJQHAEFYDPCXQC-NSHDSACASA-N 1 0 359.451 3.240 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000378873140 713974818 /nfs/dbraw/zinc/97/48/18/713974818.db2.gz SWFZEXXMAIQQFM-NSHDSACASA-N 1 0 358.866 3.447 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000381406826 713978727 /nfs/dbraw/zinc/97/87/27/713978727.db2.gz WSYBAUIJPGWIQT-WDEREUQCSA-N 1 0 358.866 3.446 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000779164144 724397182 /nfs/dbraw/zinc/39/71/82/724397182.db2.gz WADJTTGTTFNZHP-KGLIPLIRSA-N 1 0 350.459 3.136 20 10 FGCDRO CCN(CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)CC(F)(F)F ZINC000771752780 723741646 /nfs/dbraw/zinc/74/16/46/723741646.db2.gz FSGNSSPLUIAIJV-UHFFFAOYSA-N 1 0 359.436 3.092 20 10 FGCDRO Cn1ncc(Cl)c1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000780520331 724474736 /nfs/dbraw/zinc/47/47/36/724474736.db2.gz MZFFUDZXPROBTQ-UHFFFAOYSA-N 1 0 370.831 3.434 20 10 FGCDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000783313609 724747026 /nfs/dbraw/zinc/74/70/26/724747026.db2.gz CFLFKHKWNDDAPW-HNNXBMFYSA-N 1 0 351.922 3.312 20 10 FGCDRO CN(CCOCC[NH2+]Cc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000705880589 722411959 /nfs/dbraw/zinc/41/19/59/722411959.db2.gz IGABKVVOTSQVDC-UHFFFAOYSA-N 1 0 358.866 3.019 20 10 FGCDRO CN1CCN([C@H](C[NH2+]Cc2c(O)cccc2Cl)c2cccs2)CC1 ZINC000733322894 722495675 /nfs/dbraw/zinc/49/56/75/722495675.db2.gz VAOGDSBCTKABKZ-MRXNPFEDSA-N 1 0 365.930 3.185 20 10 FGCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000734522189 722508200 /nfs/dbraw/zinc/50/82/00/722508200.db2.gz YKTZHHNDUBHPTE-GOSISDBHSA-N 1 0 360.527 3.225 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000753733503 722910908 /nfs/dbraw/zinc/91/09/08/722910908.db2.gz VFFBROGWTVAISJ-NVXWUHKLSA-N 1 0 368.518 3.434 20 10 FGCDRO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1c1c(F)cccc1F ZINC000756148993 722961281 /nfs/dbraw/zinc/96/12/81/722961281.db2.gz IQXVJILQEJZXPK-CQSZACIVSA-N 1 0 352.768 3.219 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000756342975 722963126 /nfs/dbraw/zinc/96/31/26/722963126.db2.gz MBCSYLHFQCHYIA-SJLPKXTDSA-N 1 0 359.539 3.401 20 10 FGCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(Br)cc1O ZINC000756396227 722963906 /nfs/dbraw/zinc/96/39/06/722963906.db2.gz IEDPKPFKEIKVBB-JSGCOSHPSA-N 1 0 366.255 3.245 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1O ZINC000756502694 722965793 /nfs/dbraw/zinc/96/57/93/722965793.db2.gz KSGVSSBSVCCDBM-KOLCDFICSA-N 1 0 367.209 3.442 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000756534496 722966381 /nfs/dbraw/zinc/96/63/81/722966381.db2.gz IXEMRYGKNVTYNR-LSDHHAIUSA-N 1 0 362.495 3.363 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000756582424 722967177 /nfs/dbraw/zinc/96/71/77/722967177.db2.gz INUUUXAFIIXHFW-LBTNJELSSA-N 1 0 356.457 3.458 20 10 FGCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000756582414 722967187 /nfs/dbraw/zinc/96/71/87/722967187.db2.gz INUUUXAFIIXHFW-DEYYWGMASA-N 1 0 356.457 3.458 20 10 FGCDRO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(Br)ccc1O ZINC000756589927 722967307 /nfs/dbraw/zinc/96/73/07/722967307.db2.gz BYUVHVQEQLYFHB-LBPRGKRZSA-N 1 0 362.267 3.335 20 10 FGCDRO C[NH+](C)[C@@H](CNC(=O)NCCCSc1nccs1)c1cccs1 ZINC000759118089 722999761 /nfs/dbraw/zinc/99/97/61/722999761.db2.gz SDVIJICMGMYPGK-LBPRGKRZSA-N 1 0 370.569 3.289 20 10 FGCDRO COCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@@H](C)C1 ZINC000792193462 723320147 /nfs/dbraw/zinc/32/01/47/723320147.db2.gz WUQMMHPAJMHFEV-AEFFLSMTSA-N 1 0 350.478 3.299 20 10 FGCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccccc1Br ZINC000763425600 723342217 /nfs/dbraw/zinc/34/22/17/723342217.db2.gz RGVFHHGKCRVUEU-LBPRGKRZSA-N 1 0 368.246 3.235 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(OCCCO)CC2)c(C(F)(F)F)c1 ZINC000792831058 723372536 /nfs/dbraw/zinc/37/25/36/723372536.db2.gz NKJLZMFYKSUTGZ-UHFFFAOYSA-N 1 0 360.420 3.135 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000792841570 723373429 /nfs/dbraw/zinc/37/34/29/723373429.db2.gz AYUHKJONLQULFA-JKSUJKDBSA-N 1 0 360.445 3.478 20 10 FGCDRO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000793389715 723433179 /nfs/dbraw/zinc/43/31/79/723433179.db2.gz NACVDCILLHCNQU-KGLIPLIRSA-N 1 0 357.397 3.248 20 10 FGCDRO Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1O ZINC000793613076 723455148 /nfs/dbraw/zinc/45/51/48/723455148.db2.gz JMPYQLZZUJANEV-HOTGVXAUSA-N 1 0 352.450 3.480 20 10 FGCDRO CC[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765324434 723505609 /nfs/dbraw/zinc/50/56/09/723505609.db2.gz GXCCZRRGVHTMNG-HXUWFJFHSA-N 1 0 360.523 3.408 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000794826194 723547997 /nfs/dbraw/zinc/54/79/97/723547997.db2.gz ASDMWTHCUONVHX-BDJLRTHQSA-N 1 0 363.255 3.340 20 10 FGCDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979437 723549738 /nfs/dbraw/zinc/54/97/38/723549738.db2.gz UAKCDUHFBTYKLI-ICSRJNTNSA-N 1 0 364.555 3.370 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000765994720 723550623 /nfs/dbraw/zinc/55/06/23/723550623.db2.gz RFEFINIBBFBEDE-KBXCAEBGSA-N 1 0 352.906 3.415 20 10 FGCDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000765995761 723550637 /nfs/dbraw/zinc/55/06/37/723550637.db2.gz WXXMFTXLQIQPHC-VKJFTORMSA-N 1 0 352.906 3.415 20 10 FGCDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000766136277 723557995 /nfs/dbraw/zinc/55/79/95/723557995.db2.gz CSMZQMARHJHABK-KBXCAEBGSA-N 1 0 364.873 3.462 20 10 FGCDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000796009086 723617281 /nfs/dbraw/zinc/61/72/81/723617281.db2.gz AAYCKKDIQYQRKA-ZDUSSCGKSA-N 1 0 356.495 3.024 20 10 FGCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000796032107 723618229 /nfs/dbraw/zinc/61/82/29/723618229.db2.gz NWCBSXYLYMOXSY-CXAGYDPISA-N 1 0 370.287 3.233 20 10 FGCDRO OCCCSCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796291820 723630679 /nfs/dbraw/zinc/63/06/79/723630679.db2.gz VEMFOVKALYCMSN-UHFFFAOYSA-N 1 0 356.535 3.455 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)c1 ZINC000796306033 723631904 /nfs/dbraw/zinc/63/19/04/723631904.db2.gz BKYJSZKIBIOKPG-UHFFFAOYSA-N 1 0 358.829 3.233 20 10 FGCDRO C[C@H](CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[S@@](C)=O ZINC000796318539 723632676 /nfs/dbraw/zinc/63/26/76/723632676.db2.gz DEGVTBNJSQFUKF-CRICUBBOSA-N 1 0 356.535 3.496 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000768246914 723651789 /nfs/dbraw/zinc/65/17/89/723651789.db2.gz PTFYJCNUZOUPJO-UHFFFAOYSA-N 1 0 350.459 3.234 20 10 FGCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768350294 723654924 /nfs/dbraw/zinc/65/49/24/723654924.db2.gz CUFYAMNOCQYBLG-OAHLLOKOSA-N 1 0 350.459 3.280 20 10 FGCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 ZINC000769126001 723677529 /nfs/dbraw/zinc/67/75/29/723677529.db2.gz GHLXZNJZTQPCEH-UHFFFAOYSA-N 1 0 358.869 3.241 20 10 FGCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335832 723682758 /nfs/dbraw/zinc/68/27/58/723682758.db2.gz YIUZYSCNPQKZLY-AWEZNQCLSA-N 1 0 350.459 3.090 20 10 FGCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCOCC1 ZINC000771386138 723733996 /nfs/dbraw/zinc/73/39/96/723733996.db2.gz WSVQCPXJMPCQBD-HNNXBMFYSA-N 1 0 358.404 3.201 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)ccc1O ZINC000774398621 723888904 /nfs/dbraw/zinc/88/89/04/723888904.db2.gz YMPRCRNRMUDWNC-PWSUYJOCSA-N 1 0 357.347 3.450 20 10 FGCDRO CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000775503448 723996640 /nfs/dbraw/zinc/99/66/40/723996640.db2.gz ISDVGEJCQVAYIS-WFASDCNBSA-N 1 0 358.276 3.249 20 10 FGCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1O ZINC000775534126 723998705 /nfs/dbraw/zinc/99/87/05/723998705.db2.gz BXNJGHQGMZHIFB-RLCCDNCMSA-N 1 0 362.861 3.014 20 10 FGCDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000775644887 724014690 /nfs/dbraw/zinc/01/46/90/724014690.db2.gz WNRJOSPFJBZLEL-LBPRGKRZSA-N 1 0 368.886 3.194 20 10 FGCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](c4cccs4)C3)cc2)CC1 ZINC000775663876 724019141 /nfs/dbraw/zinc/01/91/41/724019141.db2.gz GTBLRXJMWMTICK-IBGZPJMESA-N 1 0 357.523 3.073 20 10 FGCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690779 724026181 /nfs/dbraw/zinc/02/61/81/724026181.db2.gz XFYLLLHCRKIWBL-YPMHNXCESA-N 1 0 368.193 3.351 20 10 FGCDRO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775831450 724068594 /nfs/dbraw/zinc/06/85/94/724068594.db2.gz SFKGLZONNMRXPK-HNNXBMFYSA-N 1 0 359.901 3.416 20 10 FGCDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000776167208 724115339 /nfs/dbraw/zinc/11/53/39/724115339.db2.gz KOGFKGVVKBGFTC-TUFGIGEDSA-N 1 0 350.478 3.372 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1O ZINC000776252124 724124208 /nfs/dbraw/zinc/12/42/08/724124208.db2.gz OBHUJEDNEJJZQC-GOSISDBHSA-N 1 0 362.267 3.387 20 10 FGCDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000786761234 724999024 /nfs/dbraw/zinc/99/90/24/724999024.db2.gz NHGUDGCNNGAXBW-UHFFFAOYSA-N 1 0 352.498 3.155 20 10 FGCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CCCO1 ZINC000788618494 725076417 /nfs/dbraw/zinc/07/64/17/725076417.db2.gz GUSWCXQUDANNMU-ZOCIIQOWSA-N 1 0 368.905 3.021 20 10 FGCDRO CCCN(CC[NH+]1CCCC1)C(=O)NCCCSc1nccs1 ZINC000806961500 725150195 /nfs/dbraw/zinc/15/01/95/725150195.db2.gz SKSVDQKVFUKWQT-UHFFFAOYSA-N 1 0 356.561 3.143 20 10 FGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1O ZINC000808680148 725213199 /nfs/dbraw/zinc/21/31/99/725213199.db2.gz CWHLQLLUGKFJMQ-KBXCAEBGSA-N 1 0 370.946 3.213 20 10 FGCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701368 725260527 /nfs/dbraw/zinc/26/05/27/725260527.db2.gz XIPLUQOIYXVNGX-AEFFLSMTSA-N 1 0 350.478 3.178 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(C(F)(F)F)cc1O ZINC000810225420 725297942 /nfs/dbraw/zinc/29/79/42/725297942.db2.gz CYHABFJPCJZQGY-ZWNOBZJWSA-N 1 0 353.406 3.275 20 10 FGCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCSC1 ZINC000810631470 725318837 /nfs/dbraw/zinc/31/88/37/725318837.db2.gz UYLNTVLRPPOMTQ-CZUORRHYSA-N 1 0 368.930 3.269 20 10 FGCDRO Cn1nc2c(c1C[NH2+]Cc1cc(Br)ccc1O)CCCC2 ZINC000812773687 726809241 /nfs/dbraw/zinc/80/92/41/726809241.db2.gz MOBSRFSREKFBAM-UHFFFAOYSA-N 1 0 350.260 3.057 20 10 FGCDRO COc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000813792617 726914664 /nfs/dbraw/zinc/91/46/64/726914664.db2.gz SQALUEFOHMZLHG-AWEZNQCLSA-N 1 0 370.218 3.126 20 10 FGCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000814301280 726954652 /nfs/dbraw/zinc/95/46/52/726954652.db2.gz RJMBMHVQWQYBSF-CYBMUJFWSA-N 1 0 359.436 3.413 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000815577787 727084618 /nfs/dbraw/zinc/08/46/18/727084618.db2.gz YZPWDPJVRAEVCT-ZIAGYGMSSA-N 1 0 351.393 3.378 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000818218804 727301957 /nfs/dbraw/zinc/30/19/57/727301957.db2.gz QRKQYPBCANUSMD-CVEARBPZSA-N 1 0 350.459 3.182 20 10 FGCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1F ZINC000818985390 727334426 /nfs/dbraw/zinc/33/44/26/727334426.db2.gz SMBDDRZCOZEXTL-MRXNPFEDSA-N 1 0 366.864 3.212 20 10 FGCDRO C[C@@H]1CCCN(c2ccc(CNC[C@@H](O)C[N@H+](C)C3CC3)cc2Cl)C1 ZINC000819289604 727364734 /nfs/dbraw/zinc/36/47/34/727364734.db2.gz FTLFKGZOGVJGCV-CRAIPNDOSA-N 1 0 365.949 3.121 20 10 FGCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819290547 727365027 /nfs/dbraw/zinc/36/50/27/727365027.db2.gz IMHJKRNHYOUHBQ-DOTOQJQBSA-N 1 0 354.922 3.453 20 10 FGCDRO C[C@@H](C[NH2+]CCCSc1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000823938494 729313280 /nfs/dbraw/zinc/31/32/80/729313280.db2.gz ZKLHOONAEBEYSD-ZDUSSCGKSA-N 1 0 370.565 3.422 20 10 FGCDRO COc1cc(Br)cc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c1O ZINC000824821304 729360224 /nfs/dbraw/zinc/36/02/24/729360224.db2.gz XWKJJNDZXMBEMF-CQSZACIVSA-N 1 0 358.276 3.410 20 10 FGCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(Br)cc1O ZINC000824906992 729364593 /nfs/dbraw/zinc/36/45/93/729364593.db2.gz ULHDFQGBBOUCNN-AWEZNQCLSA-N 1 0 350.260 3.398 20 10 FGCDRO COc1ccccc1OCC[NH2+]Cc1ccc(Br)cc1O ZINC000825037968 729368741 /nfs/dbraw/zinc/36/87/41/729368741.db2.gz MMOVQAIZGRWOFH-UHFFFAOYSA-N 1 0 352.228 3.332 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000825070574 729369738 /nfs/dbraw/zinc/36/97/38/729369738.db2.gz HSQKYSZNJTZQAZ-CYBMUJFWSA-N 1 0 350.212 3.084 20 10 FGCDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000825070340 729369749 /nfs/dbraw/zinc/36/97/49/729369749.db2.gz BSKGHRPWKWEQLZ-BETUJISGSA-N 1 0 371.319 3.132 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000825070575 729369784 /nfs/dbraw/zinc/36/97/84/729369784.db2.gz HSQKYSZNJTZQAZ-ZDUSSCGKSA-N 1 0 350.212 3.084 20 10 FGCDRO CN(C)c1ccc(C[N@H+](CCO)C2CCSCC2)c(C(F)(F)F)c1 ZINC000825133253 729372278 /nfs/dbraw/zinc/37/22/78/729372278.db2.gz AQXVDTMHXQKIQZ-UHFFFAOYSA-N 1 0 362.461 3.461 20 10 FGCDRO COc1cccc(O)c1C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000825305434 729377869 /nfs/dbraw/zinc/37/78/69/729377869.db2.gz IXZPTMHRGSGQMW-INIZCTEOSA-N 1 0 366.255 3.329 20 10 FGCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825557259 729387682 /nfs/dbraw/zinc/38/76/82/729387682.db2.gz ZGDVBNFRPZPTDN-LLVKDONJSA-N 1 0 371.275 3.111 20 10 FGCDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc(Br)cc1O ZINC000825922310 729399717 /nfs/dbraw/zinc/39/97/17/729399717.db2.gz OPNHHHGSMYHFOU-UHFFFAOYSA-N 1 0 353.260 3.312 20 10 FGCDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H](O)Cc1ccccc1 ZINC000826003859 729402013 /nfs/dbraw/zinc/40/20/13/729402013.db2.gz XYNAMZXGDDNDTM-INIZCTEOSA-N 1 0 350.256 3.190 20 10 FGCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000826943741 729419660 /nfs/dbraw/zinc/41/96/60/729419660.db2.gz ZQJDGEHUSBJIRX-KRWDZBQOSA-N 1 0 364.848 3.041 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000830557992 729571074 /nfs/dbraw/zinc/57/10/74/729571074.db2.gz HFLMNNCNTJEQLC-ZDUSSCGKSA-N 1 0 366.889 3.362 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000832271979 729701214 /nfs/dbraw/zinc/70/12/14/729701214.db2.gz BANUPKKGXPNIEK-ROUUACIJSA-N 1 0 355.507 3.148 20 10 FGCDRO Cc1ccc(SCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000832284019 729702021 /nfs/dbraw/zinc/70/20/21/729702021.db2.gz GEXKCKZVMPQYQP-GOSISDBHSA-N 1 0 357.523 3.278 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc(Br)c2)cc1 ZINC000832293213 729703021 /nfs/dbraw/zinc/70/30/21/729703021.db2.gz RKBLTHCBUKMZQN-CYBMUJFWSA-N 1 0 368.300 3.006 20 10 FGCDRO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000834821154 729836618 /nfs/dbraw/zinc/83/66/18/729836618.db2.gz KUVAOHWYSZUGPY-VXGBXAGGSA-N 1 0 364.287 3.322 20 10 FGCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000834821151 729836689 /nfs/dbraw/zinc/83/66/89/729836689.db2.gz KUVAOHWYSZUGPY-NEPJUHHUSA-N 1 0 364.287 3.322 20 10 FGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c(O)c1 ZINC000834839870 729838444 /nfs/dbraw/zinc/83/84/44/729838444.db2.gz DVCZYTDYVMEDCB-CYBMUJFWSA-N 1 0 365.271 3.284 20 10 FGCDRO CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(C)cc1O ZINC000834840574 729838447 /nfs/dbraw/zinc/83/84/47/729838447.db2.gz KSIORQXJILXXKX-HNNXBMFYSA-N 1 0 365.271 3.366 20 10 FGCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000834877957 729841344 /nfs/dbraw/zinc/84/13/44/729841344.db2.gz HHWQMBHXPUVJAZ-FUHWJXTLSA-N 1 0 367.559 3.045 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000834896040 729844809 /nfs/dbraw/zinc/84/48/09/729844809.db2.gz HEUSIHHFCGJHPM-NEPJUHHUSA-N 1 0 352.276 3.478 20 10 FGCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c(Cl)c1 ZINC000840879041 730187165 /nfs/dbraw/zinc/18/71/65/730187165.db2.gz BTRGVMUGZZVTRJ-UHFFFAOYSA-N 1 0 362.857 3.111 20 10 FGCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2csc(Br)c2)cc1 ZINC000841043972 730205771 /nfs/dbraw/zinc/20/57/71/730205771.db2.gz RYTDKKGUEUEDCN-AWEZNQCLSA-N 1 0 354.317 3.366 20 10 FGCDRO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000841103286 730211714 /nfs/dbraw/zinc/21/17/14/730211714.db2.gz FWMIUHMEJABLOU-ZBFHGGJFSA-N 1 0 359.297 3.417 20 10 FGCDRO COc1cc(F)cc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000841494523 730248970 /nfs/dbraw/zinc/24/89/70/730248970.db2.gz CEBHWYHTFLPXBW-DHDCSXOGSA-N 1 0 366.483 3.130 20 10 FGCDRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1O ZINC000841751496 730270694 /nfs/dbraw/zinc/27/06/94/730270694.db2.gz NITFMOLCQFJMRS-NSHDSACASA-N 1 0 374.915 3.078 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000841764255 730271805 /nfs/dbraw/zinc/27/18/05/730271805.db2.gz GHGHSXQQPBMTTJ-KBPBESRZSA-N 1 0 373.875 3.167 20 10 FGCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1F ZINC000841798448 730275301 /nfs/dbraw/zinc/27/53/01/730275301.db2.gz IXILPBYLOXDFBZ-QGZVFWFLSA-N 1 0 352.498 3.187 20 10 FGCDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000841855989 730281467 /nfs/dbraw/zinc/28/14/67/730281467.db2.gz DYSUOUREQCPJNA-CQSZACIVSA-N 1 0 368.572 3.045 20 10 FGCDRO COc1cc(Br)cc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1O ZINC000843047915 730573847 /nfs/dbraw/zinc/57/38/47/730573847.db2.gz BGFIEKCRQQZWNO-HUUCEWRRSA-N 1 0 369.303 3.270 20 10 FGCDRO C[C@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)c1ccc(Cl)cc1 ZINC000843350235 730609652 /nfs/dbraw/zinc/60/96/52/730609652.db2.gz QLTFKXSHMJNRAL-AWEZNQCLSA-N 1 0 357.885 3.429 20 10 FGCDRO C[NH+](C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)Cc1ccccc1 ZINC000844861064 730781728 /nfs/dbraw/zinc/78/17/28/730781728.db2.gz URZDSOJBGDZRDF-KRWDZBQOSA-N 1 0 361.873 3.018 20 10 FGCDRO CC(C)C[N@H+](C)CCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846175925 730933832 /nfs/dbraw/zinc/93/38/32/730933832.db2.gz AASTXMDTZGFBTO-QGZVFWFLSA-N 1 0 351.510 3.291 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000848527935 731175542 /nfs/dbraw/zinc/17/55/42/731175542.db2.gz AHZMIOYXWLPRLN-GVXVVHGQSA-N 1 0 357.292 3.297 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c1O ZINC000848527922 731175600 /nfs/dbraw/zinc/17/56/00/731175600.db2.gz IFBSBFNOKMEYHB-WDEREUQCSA-N 1 0 357.292 3.297 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1O ZINC000848529523 731176008 /nfs/dbraw/zinc/17/60/08/731176008.db2.gz PHDRETZIGXFXOF-DMDPSCGWSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1ccc(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)c(O)c1 ZINC000849095537 731228671 /nfs/dbraw/zinc/22/86/71/731228671.db2.gz BLMMFBYMMFCBAT-UHFFFAOYSA-N 1 0 355.316 3.436 20 10 FGCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ncccc3C(F)(F)F)C2)cc1 ZINC000850347877 731345613 /nfs/dbraw/zinc/34/56/13/731345613.db2.gz ZNNRASVLJPOGMS-ZDUSSCGKSA-N 1 0 351.372 3.478 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1O ZINC000850421502 731355569 /nfs/dbraw/zinc/35/55/69/731355569.db2.gz YAULOMJLKPUHKG-MEDUHNTESA-N 1 0 366.255 3.375 20 10 FGCDRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000850485470 731362045 /nfs/dbraw/zinc/36/20/45/731362045.db2.gz JMIHYYCESDUZLK-AWEZNQCLSA-N 1 0 351.512 3.137 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850500219 731365393 /nfs/dbraw/zinc/36/53/93/731365393.db2.gz BQWDDOBZNORIOY-WHKVHYTHSA-N 1 0 368.518 3.003 20 10 FGCDRO COC(=O)c1nc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)ccc1Cl ZINC000850512556 731366922 /nfs/dbraw/zinc/36/69/22/731366922.db2.gz HHHTVHBAFQVTKU-JTQLQIEISA-N 1 0 350.802 3.087 20 10 FGCDRO Cc1cncc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000850552152 731372350 /nfs/dbraw/zinc/37/23/50/731372350.db2.gz XJOYHLWUJQISMB-GFCCVEGCSA-N 1 0 350.260 3.455 20 10 FGCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1Cl ZINC000853121529 731667544 /nfs/dbraw/zinc/66/75/44/731667544.db2.gz GFEKSEFMPBOBQM-FQEVSTJZSA-N 1 0 360.885 3.124 20 10 FGCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCCSc1nccs1 ZINC000853857514 731763459 /nfs/dbraw/zinc/76/34/59/731763459.db2.gz FGUNRZWVRINBHB-AWEZNQCLSA-N 1 0 356.561 3.045 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C(F)F)ccc2F)cc1 ZINC000856993527 732089428 /nfs/dbraw/zinc/08/94/28/732089428.db2.gz DMNKDAFSUANLKV-MRXNPFEDSA-N 1 0 351.372 3.259 20 10 FGCDRO OC[C@]1(C[NH2+]Cc2c(O)cccc2Br)C[C@H]1c1ccccc1 ZINC000858165900 732188410 /nfs/dbraw/zinc/18/84/10/732188410.db2.gz RFQBLXODSOHQJE-MAUKXSAKSA-N 1 0 362.267 3.411 20 10 FGCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1O ZINC000858564201 732227302 /nfs/dbraw/zinc/22/73/02/732227302.db2.gz HODFNXKLNKYLRF-LLVKDONJSA-N 1 0 362.813 3.106 20 10 FGCDRO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000862278451 732802974 /nfs/dbraw/zinc/80/29/74/732802974.db2.gz DFMYVWAATBEFER-MOPGFXCFSA-N 1 0 364.555 3.227 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863645481 732990104 /nfs/dbraw/zinc/99/01/04/732990104.db2.gz INOGEVDFLVHJCU-PWSUYJOCSA-N 1 0 352.784 3.013 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCOC1 ZINC000872029471 735579205 /nfs/dbraw/zinc/57/92/05/735579205.db2.gz XEUABUNDOJQZGO-VQIMIIECSA-N 1 0 350.478 3.082 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c2c1c(F)ccc2O ZINC000872118662 735591353 /nfs/dbraw/zinc/59/13/53/735591353.db2.gz FGXQZCBZQYBPSZ-HHQTYALHSA-N 1 0 353.459 3.025 20 10 FGCDRO COC(=O)c1csc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000876942837 736165621 /nfs/dbraw/zinc/16/56/21/736165621.db2.gz GSTYXXMZHVLLLI-UHFFFAOYSA-N 1 0 362.520 3.378 20 10 FGCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Cl)nn3)C2)cc1 ZINC000877071491 736183785 /nfs/dbraw/zinc/18/37/85/736183785.db2.gz PHIVRRCOEHOQOG-ZDUSSCGKSA-N 1 0 368.815 3.490 20 10 FGCDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877587106 736689043 /nfs/dbraw/zinc/68/90/43/736689043.db2.gz FDJIVLOHNKNGOJ-UHFFFAOYSA-N 1 0 353.871 3.437 20 10 FGCDRO COC(=O)c1cc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000877704549 736708753 /nfs/dbraw/zinc/70/87/53/736708753.db2.gz QOSQIOXRBNHWEE-UHFFFAOYSA-N 1 0 350.802 3.200 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncsc2C2CC2)[NH+](C)C)cc1 ZINC000891243560 739885881 /nfs/dbraw/zinc/88/58/81/739885881.db2.gz QGHIVVUDZLZMAI-MRXNPFEDSA-N 1 0 358.511 3.119 20 10 FGCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000891248322 739885912 /nfs/dbraw/zinc/88/59/12/739885912.db2.gz KOVBECRLTQZSGQ-WMLDXEAASA-N 1 0 353.457 3.297 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(O)c1OC ZINC000892470805 740003587 /nfs/dbraw/zinc/00/35/87/740003587.db2.gz ZDKWUNFEFCPYGX-UHFFFAOYSA-N 1 0 365.813 3.124 20 10 FGCDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1OC ZINC000894102615 742239304 /nfs/dbraw/zinc/23/93/04/742239304.db2.gz PGGDNMAZGOUCQR-AWEZNQCLSA-N 1 0 355.793 3.025 20 10 FGCDRO COc1cc(C)cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c1O ZINC000894175758 742248886 /nfs/dbraw/zinc/24/88/86/742248886.db2.gz KOQZLRWKJHHSAA-UHFFFAOYSA-N 1 0 356.344 3.335 20 10 FGCDRO COC(=O)c1c(C[NH2+]Cc2sc(C)nc2C)c2cc(F)ccc2n1C ZINC000894308698 742265796 /nfs/dbraw/zinc/26/57/96/742265796.db2.gz UILCBMFEIIREQS-UHFFFAOYSA-N 1 0 361.442 3.467 20 10 FGCDRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000895633009 742435057 /nfs/dbraw/zinc/43/50/57/742435057.db2.gz WKWIPKQPUCQPEJ-AEFFLSMTSA-N 1 0 360.523 3.315 20 10 FGCDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)CC1 ZINC000897218922 742655014 /nfs/dbraw/zinc/65/50/14/742655014.db2.gz QSIGPTWHIVJKFT-ZDUSSCGKSA-N 1 0 360.479 3.116 20 10 FGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c1O ZINC000903372053 743841646 /nfs/dbraw/zinc/84/16/46/743841646.db2.gz HJEZWDOQSLOLMJ-CYBMUJFWSA-N 1 0 355.862 3.053 20 10 FGCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)COCc2cccs2)C2CC2)cc1 ZINC000917013462 758165384 /nfs/dbraw/zinc/16/53/84/758165384.db2.gz BMYSTRVAGCKRJW-IBGZPJMESA-N 1 0 360.523 3.356 20 10 FGCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000922338247 758895762 /nfs/dbraw/zinc/89/57/62/758895762.db2.gz IZAKTTKQTGGYAS-IEBWSBKVSA-N 1 0 361.555 3.152 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1ccc(Br)cc1O ZINC000927105579 759892773 /nfs/dbraw/zinc/89/27/73/759892773.db2.gz UCCKSOIXBDQRFX-WFASDCNBSA-N 1 0 369.303 3.059 20 10 FGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929186080 760335978 /nfs/dbraw/zinc/33/59/78/760335978.db2.gz XAEDJXZKAGTWCV-DLBZAZTESA-N 1 0 358.404 3.065 20 10 FGCDRO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n(C)n1 ZINC000580150269 505688693 /nfs/dbraw/zinc/68/86/93/505688693.db2.gz RQULLKSKJKHUBC-UHFFFAOYSA-N 1 0 365.481 3.088 20 10 FGCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1O ZINC000091631587 494634465 /nfs/dbraw/zinc/63/44/65/494634465.db2.gz AEZSECKXJDDBJS-CYBMUJFWSA-N 1 0 358.417 3.040 20 10 FGCDRO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000091974684 494737851 /nfs/dbraw/zinc/73/78/51/494737851.db2.gz RVALRUSWFFOASV-UHFFFAOYSA-N 1 0 351.406 3.186 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(CO)c1 ZINC000121411297 494743787 /nfs/dbraw/zinc/74/37/87/494743787.db2.gz BCCGXKFHQDWXEF-OAHLLOKOSA-N 1 0 358.457 3.130 20 10 FGCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000092811394 494758884 /nfs/dbraw/zinc/75/88/84/494758884.db2.gz DEQQQTVKVJZIPJ-UHFFFAOYSA-N 1 0 356.514 3.101 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O ZINC000124146320 495241301 /nfs/dbraw/zinc/24/13/01/495241301.db2.gz SPKPMTOWJJKUSN-QGZVFWFLSA-N 1 0 370.497 3.488 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O ZINC000124146067 495241515 /nfs/dbraw/zinc/24/15/15/495241515.db2.gz SPKPMTOWJJKUSN-KRWDZBQOSA-N 1 0 370.497 3.488 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000113328845 495296751 /nfs/dbraw/zinc/29/67/51/495296751.db2.gz QEJFUWMKLIGHEG-UHFFFAOYSA-N 1 0 362.495 3.067 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)c1 ZINC000130076627 495338105 /nfs/dbraw/zinc/33/81/05/495338105.db2.gz NCZCDSHQVNFUGP-UKRRQHHQSA-N 1 0 350.413 3.341 20 10 FGCDRO Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(O)c1O ZINC000182442843 495566365 /nfs/dbraw/zinc/56/63/65/495566365.db2.gz CWPWNPNOLGZZTQ-UHFFFAOYSA-N 1 0 354.450 3.143 20 10 FGCDRO O=C(C1CC[NH+](Cc2cc(F)ccc2O)CC1)N1CCc2ccccc21 ZINC000179996329 495815366 /nfs/dbraw/zinc/81/53/66/495815366.db2.gz SMBQGILSSDNHGH-UHFFFAOYSA-N 1 0 354.425 3.333 20 10 FGCDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183106608 495836819 /nfs/dbraw/zinc/83/68/19/495836819.db2.gz MXLAKZRRMPWQNO-IBGZPJMESA-N 1 0 371.477 3.456 20 10 FGCDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)cc1 ZINC000183380038 495955750 /nfs/dbraw/zinc/95/57/50/495955750.db2.gz ZMKJVXPPYRDNQK-OXJNMPFZSA-N 1 0 356.466 3.125 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1O ZINC000186458004 496005523 /nfs/dbraw/zinc/00/55/23/496005523.db2.gz VAHSJQBMFPSMOE-UHFFFAOYSA-N 1 0 362.857 3.369 20 10 FGCDRO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cc(Br)ccc1O ZINC000155710899 496042447 /nfs/dbraw/zinc/04/24/47/496042447.db2.gz CJASKANVNMMYIH-MRXNPFEDSA-N 1 0 369.303 3.454 20 10 FGCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2cc(Br)ccc2O)C1 ZINC000156376310 496228311 /nfs/dbraw/zinc/22/83/11/496228311.db2.gz LHMREKVZXZQWMI-TZMCWYRMSA-N 1 0 355.276 3.206 20 10 FGCDRO CCOc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000152751439 496245531 /nfs/dbraw/zinc/24/55/31/496245531.db2.gz JQBMHQDPUYCSRY-OAHLLOKOSA-N 1 0 363.479 3.051 20 10 FGCDRO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1cc(Br)ccc1O ZINC000156562842 496280255 /nfs/dbraw/zinc/28/02/55/496280255.db2.gz NWYVADGRUWKSSF-ZWNOBZJWSA-N 1 0 364.305 3.019 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCCc2nc3ccccc3n2C)cc1OC ZINC000181346757 496362096 /nfs/dbraw/zinc/36/20/96/496362096.db2.gz PQAFGXKDRJJVEA-UHFFFAOYSA-N 1 0 355.438 3.019 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000181814030 496555979 /nfs/dbraw/zinc/55/59/79/496555979.db2.gz GJRCMSGAUUUTPR-MJGOQNOKSA-N 1 0 351.494 3.452 20 10 FGCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000173199583 496589975 /nfs/dbraw/zinc/58/99/75/496589975.db2.gz PGKWSMUPPFUHNP-UHFFFAOYSA-N 1 0 365.477 3.388 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)c1 ZINC000184987967 496612889 /nfs/dbraw/zinc/61/28/89/496612889.db2.gz DBNWIPXEXOIBKH-OAHLLOKOSA-N 1 0 354.450 3.374 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)c(O)c1 ZINC000185197883 496700488 /nfs/dbraw/zinc/70/04/88/496700488.db2.gz GWDLIMGHSFIGJD-SFHVURJKSA-N 1 0 370.493 3.262 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc2c(cc1O)CCCC2 ZINC000273374928 496787859 /nfs/dbraw/zinc/78/78/59/496787859.db2.gz HBLTUROBTXCNCJ-INIZCTEOSA-N 1 0 367.493 3.353 20 10 FGCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268877802 496811345 /nfs/dbraw/zinc/81/13/45/496811345.db2.gz QPZPYPVPRXZSEM-KFWWJZLASA-N 1 0 360.477 3.332 20 10 FGCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268877808 496811517 /nfs/dbraw/zinc/81/15/17/496811517.db2.gz QPZPYPVPRXZSEM-QLFBSQMISA-N 1 0 360.477 3.332 20 10 FGCDRO COCCC(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000268986884 496842411 /nfs/dbraw/zinc/84/24/11/496842411.db2.gz TZGISDSHUHVQLJ-UHFFFAOYSA-N 1 0 368.477 3.176 20 10 FGCDRO CCOCc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1OC ZINC000264548618 496926723 /nfs/dbraw/zinc/92/67/23/496926723.db2.gz YHQYKGBLSRMWAB-UHFFFAOYSA-N 1 0 360.420 3.348 20 10 FGCDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000269918909 497024154 /nfs/dbraw/zinc/02/41/54/497024154.db2.gz KELJIHISZXUKQO-IFMALSPDSA-N 1 0 354.494 3.251 20 10 FGCDRO CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278571905 497156122 /nfs/dbraw/zinc/15/61/22/497156122.db2.gz CXQBVWZHQNAFLS-UHFFFAOYSA-N 1 0 359.426 3.051 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccccc1O ZINC000274963041 497206233 /nfs/dbraw/zinc/20/62/33/497206233.db2.gz XAFJRAVRAALSBW-MJGOQNOKSA-N 1 0 351.450 3.272 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C ZINC000192910427 497243963 /nfs/dbraw/zinc/24/39/63/497243963.db2.gz YFRMZHVWCCSUFA-KGLIPLIRSA-N 1 0 350.413 3.341 20 10 FGCDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000275478677 497339018 /nfs/dbraw/zinc/33/90/18/497339018.db2.gz JALLFEZCGPRFOB-SIKLNZKXSA-N 1 0 373.541 3.168 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1O ZINC000271859020 497472653 /nfs/dbraw/zinc/47/26/53/497472653.db2.gz VNJSKOKORFCTMB-OAHLLOKOSA-N 1 0 354.219 3.425 20 10 FGCDRO CCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)c(O)c1 ZINC000190429125 497476821 /nfs/dbraw/zinc/47/68/21/497476821.db2.gz KZYYKASQTCVBQB-HKUYNNGSSA-N 1 0 359.470 3.407 20 10 FGCDRO C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC000245639725 497484796 /nfs/dbraw/zinc/48/47/96/497484796.db2.gz AOYXSHIQNKHFIF-SPDMGPDVSA-N 1 0 372.490 3.372 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cccc(Br)c2OC)c1O ZINC000267593665 497583991 /nfs/dbraw/zinc/58/39/91/497583991.db2.gz BEKYIKPYCYJRPB-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COC(=O)CC1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000268057598 497669457 /nfs/dbraw/zinc/66/94/57/497669457.db2.gz WUJULIOKTPIYNS-UHFFFAOYSA-N 1 0 355.434 3.261 20 10 FGCDRO Oc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1)OCO2 ZINC000277133732 497752236 /nfs/dbraw/zinc/75/22/36/497752236.db2.gz ZIJDWGKEBCAUNO-UHFFFAOYSA-N 1 0 359.397 3.441 20 10 FGCDRO COc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c1O ZINC000295993766 497882892 /nfs/dbraw/zinc/88/28/92/497882892.db2.gz KIPOAIKQORGTME-UHFFFAOYSA-N 1 0 362.857 3.181 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)ccc21 ZINC000292299275 497959177 /nfs/dbraw/zinc/95/91/77/497959177.db2.gz RXHYPLBZKBMMMB-JOCHJYFZSA-N 1 0 369.509 3.072 20 10 FGCDRO Cn1c(Cl)cnc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000281756995 498259321 /nfs/dbraw/zinc/25/93/21/498259321.db2.gz RJYQSCCQUFUPQK-LBPRGKRZSA-N 1 0 370.831 3.434 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1O ZINC000293210808 498308488 /nfs/dbraw/zinc/30/84/88/498308488.db2.gz YGMVNTBDFIQWQX-RDTXWAMCSA-N 1 0 372.440 3.382 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)c1 ZINC000360792119 498311278 /nfs/dbraw/zinc/31/12/78/498311278.db2.gz JWCLOXTZWFQXFG-ZDUSSCGKSA-N 1 0 361.467 3.016 20 10 FGCDRO COCC1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCOCC1 ZINC000293385214 498367818 /nfs/dbraw/zinc/36/78/18/498367818.db2.gz IMJWYQPIDHNTIW-LBPRGKRZSA-N 1 0 358.276 3.249 20 10 FGCDRO O=C(c1cccc(O)c1)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000361613868 498412541 /nfs/dbraw/zinc/41/25/41/498412541.db2.gz TXWQTNWDJQLVLJ-UHFFFAOYSA-N 1 0 360.841 3.146 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)n1-c1ccccn1 ZINC000286638571 498461515 /nfs/dbraw/zinc/46/15/15/498461515.db2.gz BDEOEMYIKXXZIY-MJGOQNOKSA-N 1 0 352.482 3.188 20 10 FGCDRO COc1cc(O)c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1OC ZINC000293750813 498475752 /nfs/dbraw/zinc/47/57/52/498475752.db2.gz WUOLSVOPHSOAOR-UHFFFAOYSA-N 1 0 356.344 3.156 20 10 FGCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286734529 498492864 /nfs/dbraw/zinc/49/28/64/498492864.db2.gz TXAPVIYKQRBAFY-YLJYHZDGSA-N 1 0 356.514 3.055 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000365613807 498558798 /nfs/dbraw/zinc/55/87/98/498558798.db2.gz CWLFVSPKEPIQPF-CQSZACIVSA-N 1 0 366.259 3.115 20 10 FGCDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282566964 498561552 /nfs/dbraw/zinc/56/15/52/498561552.db2.gz DZRSEJXPTZHJEA-UHFFFAOYSA-N 1 0 353.445 3.379 20 10 FGCDRO O=C(c1cccc(O)c1O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365753575 498626537 /nfs/dbraw/zinc/62/65/37/498626537.db2.gz NGZSVDPAPNTEOC-UHFFFAOYSA-N 1 0 366.461 3.226 20 10 FGCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1O ZINC000291071459 498782940 /nfs/dbraw/zinc/78/29/40/498782940.db2.gz LTRXPHVYFUCANK-CQSZACIVSA-N 1 0 355.438 3.171 20 10 FGCDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000291267160 498869489 /nfs/dbraw/zinc/86/94/89/498869489.db2.gz NLNDCFOLNBYQTI-OAQYLSRUSA-N 1 0 357.450 3.355 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(N(C)C)cc1 ZINC000363758640 498977936 /nfs/dbraw/zinc/97/79/36/498977936.db2.gz SAEPZTWMHKFXCQ-UYAOXDASSA-N 1 0 352.482 3.103 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000288375732 499008538 /nfs/dbraw/zinc/00/85/38/499008538.db2.gz FPPWJEDCYCNKLN-MRXNPFEDSA-N 1 0 372.465 3.281 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000366694952 499036272 /nfs/dbraw/zinc/03/62/72/499036272.db2.gz LITWFLTZQIFXRF-VGOFRKELSA-N 1 0 351.494 3.361 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000363967029 499070442 /nfs/dbraw/zinc/07/04/42/499070442.db2.gz RRTMKPYGENKRJQ-XLIONFOSSA-N 1 0 356.514 3.053 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000372711591 499164743 /nfs/dbraw/zinc/16/47/43/499164743.db2.gz GZXMRVLRVXBWKR-HNNXBMFYSA-N 1 0 359.470 3.275 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370372904 499213852 /nfs/dbraw/zinc/21/38/52/499213852.db2.gz GABPAUBEQJXCHS-IEBWSBKVSA-N 1 0 352.478 3.442 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000367896790 499242966 /nfs/dbraw/zinc/24/29/66/499242966.db2.gz PDQOCXWQBDAFBG-DYVFJYSZSA-N 1 0 373.884 3.464 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1O ZINC000368374238 499290058 /nfs/dbraw/zinc/29/00/58/499290058.db2.gz KDQUINNHLIEPGK-WBVHZDCISA-N 1 0 356.470 3.358 20 10 FGCDRO COc1ccc([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C2CCOCC2)cc1 ZINC000371357830 499314861 /nfs/dbraw/zinc/31/48/61/499314861.db2.gz RJVUWAIQLDZVTG-OAQYLSRUSA-N 1 0 371.433 3.387 20 10 FGCDRO Cc1csc(NC(=O)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000371394821 499320258 /nfs/dbraw/zinc/32/02/58/499320258.db2.gz AQBFWKNSDLBDSY-UHFFFAOYSA-N 1 0 358.511 3.368 20 10 FGCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799042 499333856 /nfs/dbraw/zinc/33/38/56/499333856.db2.gz UMZYBYHUBKCAPX-HOTGVXAUSA-N 1 0 366.465 3.459 20 10 FGCDRO COC(=O)c1ccnc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3O)CC2)c1 ZINC000371865622 499373254 /nfs/dbraw/zinc/37/32/54/499373254.db2.gz WZNQVCGLCONOKP-OAHLLOKOSA-N 1 0 369.465 3.202 20 10 FGCDRO Cc1cc(CN2CCC([N@@H+](C)Cc3ccc(N(C)C)c(F)c3)CC2)on1 ZINC000372410148 499431552 /nfs/dbraw/zinc/43/15/52/499431552.db2.gz PJNRSGSPGPZJCH-UHFFFAOYSA-N 1 0 360.477 3.285 20 10 FGCDRO COc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000373141215 499453533 /nfs/dbraw/zinc/45/35/33/499453533.db2.gz PDLMDVVQRZONTD-UHFFFAOYSA-N 1 0 374.868 3.449 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c(O)c1C ZINC000373255278 499460084 /nfs/dbraw/zinc/46/00/84/499460084.db2.gz JJUKTTCZETVKIQ-JKSUJKDBSA-N 1 0 353.466 3.037 20 10 FGCDRO CC[C@@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1ccc(C)cc1O ZINC000373545143 499476143 /nfs/dbraw/zinc/47/61/43/499476143.db2.gz DZAOZZSDGZJMBG-LEOMRAHMSA-N 1 0 366.527 3.088 20 10 FGCDRO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000375399270 499513995 /nfs/dbraw/zinc/51/39/95/499513995.db2.gz AOEMATFBWIGSRP-BDTNDASRSA-N 1 0 358.526 3.429 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1F ZINC000375408679 499515305 /nfs/dbraw/zinc/51/53/05/499515305.db2.gz JZHGTFITBWKZEU-QFUCXCTJSA-N 1 0 364.505 3.424 20 10 FGCDRO O=C1NC[C@]2(CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)O1 ZINC000375558632 499532205 /nfs/dbraw/zinc/53/22/05/499532205.db2.gz RWWLYTSOJHWCHO-NRFANRHFSA-N 1 0 368.433 3.046 20 10 FGCDRO COc1ccc(O)c([C@H](C)N2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000377681005 499719262 /nfs/dbraw/zinc/71/92/62/499719262.db2.gz NYNNNIFJYAWANI-HZUKXOBISA-N 1 0 359.426 3.184 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1O ZINC000377757153 499729304 /nfs/dbraw/zinc/72/93/04/499729304.db2.gz UHUOUBKDTVZDTL-DGCLKSJQSA-N 1 0 350.260 3.476 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCSCC2)C1 ZINC000444030587 500794721 /nfs/dbraw/zinc/79/47/21/500794721.db2.gz KWQQOYHDESJKRL-UHFFFAOYSA-N 1 0 371.550 3.373 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccoc2)C1 ZINC000435855452 501037573 /nfs/dbraw/zinc/03/75/73/501037573.db2.gz KJEMNMKWTOTVIL-UHFFFAOYSA-N 1 0 351.450 3.317 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000471585358 502074984 /nfs/dbraw/zinc/07/49/84/502074984.db2.gz KNASGVZEDYNODD-HOTGVXAUSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000471811920 502143748 /nfs/dbraw/zinc/14/37/48/502143748.db2.gz TUYULTZRACHDFR-KRWDZBQOSA-N 1 0 356.514 3.406 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000472229121 502276991 /nfs/dbraw/zinc/27/69/91/502276991.db2.gz KATMPDPTIRVJRT-AEFFLSMTSA-N 1 0 354.498 3.112 20 10 FGCDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000529701908 503665929 /nfs/dbraw/zinc/66/59/29/503665929.db2.gz LKVZDGGYQDAZEG-GOSISDBHSA-N 1 0 354.450 3.080 20 10 FGCDRO Cc1conc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000562469398 504830575 /nfs/dbraw/zinc/83/05/75/504830575.db2.gz IZJUSWAVBMKEER-UHFFFAOYSA-N 1 0 352.438 3.343 20 10 FGCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1cccc(-c2nn[nH]n2)c1 ZINC000820426467 599395994 /nfs/dbraw/zinc/39/59/94/599395994.db2.gz KGMNQWSGANJUOX-JTQLQIEISA-N 1 0 374.242 3.186 20 10 FGCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Br)ccc1O ZINC000037781993 695755236 /nfs/dbraw/zinc/75/52/36/695755236.db2.gz NHDMNELAUURJKC-SMDDNHRTSA-N 1 0 355.276 3.206 20 10 FGCDRO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118562 700224746 /nfs/dbraw/zinc/22/47/46/700224746.db2.gz HJLZAOAAYBCVNF-VXGBXAGGSA-N 1 0 357.292 3.280 20 10 FGCDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122256202 700686829 /nfs/dbraw/zinc/68/68/29/700686829.db2.gz ZULHBIOFDXQXSQ-MRXNPFEDSA-N 1 0 358.507 3.021 20 10 FGCDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000123044669 700699438 /nfs/dbraw/zinc/69/94/38/700699438.db2.gz WLSSZVHJOIBPHG-HZPDHXFCSA-N 1 0 351.922 3.036 20 10 FGCDRO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000138683157 704874603 /nfs/dbraw/zinc/87/46/03/704874603.db2.gz PTOYHWKGBBGIFH-CABCVRRESA-N 1 0 350.413 3.132 20 10 FGCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCCSC)cc2F)CC1 ZINC000151732383 704935192 /nfs/dbraw/zinc/93/51/92/704935192.db2.gz CNZHATNOSLRUNZ-UHFFFAOYSA-N 1 0 367.534 3.117 20 10 FGCDRO CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(N(C)C)cc1 ZINC000154442235 705034994 /nfs/dbraw/zinc/03/49/94/705034994.db2.gz LGZRQOCSLCYKGB-WOJBJXKFSA-N 1 0 363.571 3.001 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000182346469 705836158 /nfs/dbraw/zinc/83/61/58/705836158.db2.gz WWLGTTSPFRVNNQ-KGLIPLIRSA-N 1 0 350.459 3.451 20 10 FGCDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(C)c(O)c1O ZINC000182606741 705853085 /nfs/dbraw/zinc/85/30/85/705853085.db2.gz ATDUFAXXNHSMJO-UHFFFAOYSA-N 1 0 362.495 3.452 20 10 FGCDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000189504119 712795985 /nfs/dbraw/zinc/79/59/85/712795985.db2.gz ZDTLABFFEDWDKF-MOPGFXCFSA-N 1 0 363.571 3.365 20 10 FGCDRO Brc1cnn(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000319138496 713809789 /nfs/dbraw/zinc/80/97/89/713809789.db2.gz XFOGQEJXWLXKRK-UHFFFAOYSA-N 1 0 363.303 3.426 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000779060076 724385698 /nfs/dbraw/zinc/38/56/98/724385698.db2.gz CWHNGADHQAQQDV-AAEUAGOBSA-N 1 0 350.260 3.325 20 10 FGCDRO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1c1ccc(Cl)c(F)c1 ZINC000779100931 724390074 /nfs/dbraw/zinc/39/00/74/724390074.db2.gz VHAJEXWNSPHCRG-LBPRGKRZSA-N 1 0 352.768 3.219 20 10 FGCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000779196020 724399349 /nfs/dbraw/zinc/39/93/49/724399349.db2.gz NCRLZPAWLJNJMI-HNNXBMFYSA-N 1 0 357.420 3.033 20 10 FGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000780562723 724479969 /nfs/dbraw/zinc/47/99/69/724479969.db2.gz JWUQUTURHBTLQX-CQSZACIVSA-N 1 0 350.459 3.280 20 10 FGCDRO C[C@@H]([NH2+]C1(CNC(=O)C2=CC(=O)CS2)CCOCC1)c1ccccc1 ZINC000733368761 722496345 /nfs/dbraw/zinc/49/63/45/722496345.db2.gz BDGADDKPCKJPND-CQSZACIVSA-N 1 0 360.479 3.084 20 10 FGCDRO CCCCNC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743871098 722572142 /nfs/dbraw/zinc/57/21/42/722572142.db2.gz QORDJESXFDJEQQ-GFCCVEGCSA-N 1 0 357.292 3.281 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1cc(F)ccc1O ZINC000756344935 722963159 /nfs/dbraw/zinc/96/31/59/722963159.db2.gz VAXSCTFDLGDIQJ-RHSMWYFYSA-N 1 0 363.502 3.232 20 10 FGCDRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(Cl)ccc1O ZINC000756383961 722963735 /nfs/dbraw/zinc/96/37/35/722963735.db2.gz MBNHMRTZQPFURJ-LLVKDONJSA-N 1 0 354.859 3.268 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(Br)cc1O ZINC000756396226 722963955 /nfs/dbraw/zinc/96/39/55/722963955.db2.gz IEDPKPFKEIKVBB-GXTWGEPZSA-N 1 0 366.255 3.245 20 10 FGCDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756455154 722964952 /nfs/dbraw/zinc/96/49/52/722964952.db2.gz HSEGQGWMXDQTPG-CZUORRHYSA-N 1 0 363.454 3.284 20 10 FGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c(O)c1C ZINC000756543474 722966486 /nfs/dbraw/zinc/96/64/86/722966486.db2.gz OZTWOXLZGAVVAE-ZIAGYGMSSA-N 1 0 351.393 3.378 20 10 FGCDRO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(Br)ccc1O ZINC000756589920 722967293 /nfs/dbraw/zinc/96/72/93/722967293.db2.gz BYUVHVQEQLYFHB-GFCCVEGCSA-N 1 0 362.267 3.335 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000756738818 722969316 /nfs/dbraw/zinc/96/93/16/722969316.db2.gz LLDOBMOOAJXJEH-RRQGHBQHSA-N 1 0 351.512 3.277 20 10 FGCDRO Cc1nn(C)c(CNCc2ccc(N(C)C)cc2C)c1Br ZINC000790472449 723143471 /nfs/dbraw/zinc/14/34/71/723143471.db2.gz GLXJUYUBOYDXQX-UHFFFAOYSA-N 1 0 351.292 3.155 20 10 FGCDRO Cc1cc(Br)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763628177 723356883 /nfs/dbraw/zinc/35/68/83/723356883.db2.gz UJVBZLCDNLUTDO-UHFFFAOYSA-N 1 0 369.303 3.201 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(CCC(N)=O)CC2)c(C(F)(F)F)c1 ZINC000792829298 723372529 /nfs/dbraw/zinc/37/25/29/723372529.db2.gz NPMBXWDEXRYPLX-UHFFFAOYSA-N 1 0 357.420 3.249 20 10 FGCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000792920475 723382599 /nfs/dbraw/zinc/38/25/99/723382599.db2.gz XKILCJYLZREESD-XYVMCAHJSA-N 1 0 350.478 3.487 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c(C(F)(F)F)c1 ZINC000793009988 723392578 /nfs/dbraw/zinc/39/25/78/723392578.db2.gz XZNZHXREOAKSGA-ZDUSSCGKSA-N 1 0 357.420 3.260 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cnc3ccc(Br)cn23)c(O)c1 ZINC000793386381 723432697 /nfs/dbraw/zinc/43/26/97/723432697.db2.gz OELLZJREYMFCEL-UHFFFAOYSA-N 1 0 362.227 3.101 20 10 FGCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)CSC(C)(C)C)CC2)cc1 ZINC000765401445 723510485 /nfs/dbraw/zinc/51/04/85/723510485.db2.gz KVTZBRGWLAGIRS-QGZVFWFLSA-N 1 0 365.587 3.327 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(O)c1 ZINC000794826197 723547950 /nfs/dbraw/zinc/54/79/50/723547950.db2.gz ASDMWTHCUONVHX-MEDUHNTESA-N 1 0 363.255 3.340 20 10 FGCDRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978143 723549502 /nfs/dbraw/zinc/54/95/02/723549502.db2.gz LTQCVFHXZIONEU-VQIMIIECSA-N 1 0 352.544 3.226 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000768650959 723664283 /nfs/dbraw/zinc/66/42/83/723664283.db2.gz HUJTUFXFIKCLOF-ICSRJNTNSA-N 1 0 357.885 3.468 20 10 FGCDRO O=C(CCc1ccco1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768910806 723671918 /nfs/dbraw/zinc/67/19/18/723671918.db2.gz ABYTYTNYBCGEIX-INIZCTEOSA-N 1 0 362.857 3.352 20 10 FGCDRO COc1cccc(O)c1C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000769191667 723679162 /nfs/dbraw/zinc/67/91/62/723679162.db2.gz AVIRFTORXYUYPK-UHFFFAOYSA-N 1 0 360.479 3.165 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000770285209 723710416 /nfs/dbraw/zinc/71/04/16/723710416.db2.gz DSUOVGVUKUVWDA-SMDDNHRTSA-N 1 0 356.260 3.164 20 10 FGCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000771197984 723730072 /nfs/dbraw/zinc/73/00/72/723730072.db2.gz QMZYTRKAVFPQAN-GOSISDBHSA-N 1 0 362.539 3.058 20 10 FGCDRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000773625045 723806891 /nfs/dbraw/zinc/80/68/91/723806891.db2.gz PBPVHJMJQQHVRW-PBHICJAKSA-N 1 0 360.527 3.477 20 10 FGCDRO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798184410 723911628 /nfs/dbraw/zinc/91/16/28/723911628.db2.gz USUNQGCGTSGZCO-AWEZNQCLSA-N 1 0 359.436 3.089 20 10 FGCDRO Clc1ccc(N2CCOCC2)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000798499531 723938012 /nfs/dbraw/zinc/93/80/12/723938012.db2.gz YHRDDUOJIXRVRT-UHFFFAOYSA-N 1 0 358.869 3.401 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000798952976 723978832 /nfs/dbraw/zinc/97/88/32/723978832.db2.gz AAKSAXYVAMPQDY-LJQANCHMSA-N 1 0 350.459 3.138 20 10 FGCDRO CC[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Br)ccc1O ZINC000775555992 723999790 /nfs/dbraw/zinc/99/97/90/723999790.db2.gz UEIVUVDXMOUZSA-HZPDHXFCSA-N 1 0 372.303 3.373 20 10 FGCDRO Cc1cc(Cl)cc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1O ZINC000775666377 724019696 /nfs/dbraw/zinc/01/96/96/724019696.db2.gz XBFQNQXJARQKDK-IRXDYDNUSA-N 1 0 365.949 3.344 20 10 FGCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785426281 724911689 /nfs/dbraw/zinc/91/16/89/724911689.db2.gz MEFYNIPLYZPMGT-UHFFFAOYSA-N 1 0 351.292 3.319 20 10 FGCDRO OCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000808429101 725200643 /nfs/dbraw/zinc/20/06/43/725200643.db2.gz ASVQWSSTQFAUFQ-HXUWFJFHSA-N 1 0 360.885 3.390 20 10 FGCDRO CSCC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)N(C)C ZINC000808438839 725201330 /nfs/dbraw/zinc/20/13/30/725201330.db2.gz OXYHYDBTUONEDI-SFHVURJKSA-N 1 0 358.507 3.359 20 10 FGCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(Br)cc1O ZINC000808729582 725215087 /nfs/dbraw/zinc/21/50/87/725215087.db2.gz MHZLASGUOBPYLK-RMLVOYDJSA-N 1 0 364.239 3.300 20 10 FGCDRO O=S1(=O)CCN(c2ccc(C[NH2+]CCCC3CCCCC3)cc2)CC1 ZINC000809618145 725252753 /nfs/dbraw/zinc/25/27/53/725252753.db2.gz CSMXDZREYZGNJO-UHFFFAOYSA-N 1 0 364.555 3.372 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)CC)c1 ZINC000809722855 725262686 /nfs/dbraw/zinc/26/26/86/725262686.db2.gz LCQZKSDMPIWPOI-MRXNPFEDSA-N 1 0 350.459 3.234 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1 ZINC000809721073 725262767 /nfs/dbraw/zinc/26/27/67/725262767.db2.gz SEACIVILCXNRHK-MRXNPFEDSA-N 1 0 350.459 3.280 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cc(Br)cc(OC)c2O)c1O ZINC000809740208 725264106 /nfs/dbraw/zinc/26/41/06/725264106.db2.gz PPMVYZFXTGVBOS-UHFFFAOYSA-N 1 0 368.227 3.167 20 10 FGCDRO Cc1cc(Cl)cc(C[NH2+]CCCn2cc(Br)cn2)c1O ZINC000809784153 725268513 /nfs/dbraw/zinc/26/85/13/725268513.db2.gz RSYFEOWFXFHHFF-UHFFFAOYSA-N 1 0 358.667 3.493 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000809792595 725269129 /nfs/dbraw/zinc/26/91/29/725269129.db2.gz BGUHGTPEMQGFJR-YOEHRIQHSA-N 1 0 364.239 3.047 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1O ZINC000809794373 725269214 /nfs/dbraw/zinc/26/92/14/725269214.db2.gz WPMQBXLAOMYXLB-NRFANRHFSA-N 1 0 368.296 3.490 20 10 FGCDRO CCCN(CC)C[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000810180766 725295045 /nfs/dbraw/zinc/29/50/45/725295045.db2.gz KXEHAEDMLPUUCW-LBPRGKRZSA-N 1 0 359.308 3.373 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1O ZINC000810217030 725297618 /nfs/dbraw/zinc/29/76/18/725297618.db2.gz VDZHJAMPVQCKSZ-YCPHGPKFSA-N 1 0 358.404 3.315 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000812782918 726811193 /nfs/dbraw/zinc/81/11/93/726811193.db2.gz PBLGDLOLUZVWSV-ZDUSSCGKSA-N 1 0 364.804 3.088 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000814298605 726954325 /nfs/dbraw/zinc/95/43/25/726954325.db2.gz YIFIEJXCBMANOE-UHFFFAOYSA-N 1 0 359.227 3.025 20 10 FGCDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815651291 727088675 /nfs/dbraw/zinc/08/86/75/727088675.db2.gz PJFATMVXJWAJCO-AWEZNQCLSA-N 1 0 360.889 3.168 20 10 FGCDRO COC1([C@@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)CCOCC1 ZINC000817419846 727249964 /nfs/dbraw/zinc/24/99/64/727249964.db2.gz LCUNEHKDFLEMQX-GFCCVEGCSA-N 1 0 358.276 3.137 20 10 FGCDRO CC[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817898266 727287175 /nfs/dbraw/zinc/28/71/75/727287175.db2.gz DLEATQBIHXSWJE-OLMNPRSZSA-N 1 0 353.457 3.377 20 10 FGCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817931305 727288435 /nfs/dbraw/zinc/28/84/35/727288435.db2.gz QLHHPAOOTQHRJJ-NUJGCVRESA-N 1 0 365.949 3.433 20 10 FGCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ncc(Br)s1 ZINC000817944103 727288927 /nfs/dbraw/zinc/28/89/27/727288927.db2.gz XIWZZUNOJAJFAZ-GWCFXTLKSA-N 1 0 369.332 3.322 20 10 FGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817956099 727289535 /nfs/dbraw/zinc/28/95/35/727289535.db2.gz QTIFJYGUWPUMHW-LBPRGKRZSA-N 1 0 354.422 3.158 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Br)c(F)cc1[O-] ZINC000817987846 727290724 /nfs/dbraw/zinc/29/07/24/727290724.db2.gz YUBSVTJOJBIEMO-NNYUYHANSA-N 1 0 357.267 3.333 20 10 FGCDRO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818222570 727302165 /nfs/dbraw/zinc/30/21/65/727302165.db2.gz UUFOJPVJWXTBNZ-CQSZACIVSA-N 1 0 362.905 3.261 20 10 FGCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1C(F)(F)F ZINC000818996536 727336010 /nfs/dbraw/zinc/33/60/10/727336010.db2.gz HRSLVKNLFDESFS-INIZCTEOSA-N 1 0 351.368 3.334 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000823423410 729279205 /nfs/dbraw/zinc/27/92/05/729279205.db2.gz IAWJKTPFMJVBLD-GOSISDBHSA-N 1 0 355.507 3.191 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CN(C)CCO1 ZINC000824011922 729315715 /nfs/dbraw/zinc/31/57/15/729315715.db2.gz HOPPKWNTFJZTMP-JXFKEZNVSA-N 1 0 359.539 3.193 20 10 FGCDRO Oc1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000824645295 729352611 /nfs/dbraw/zinc/35/26/11/729352611.db2.gz DLCGFNBHAHLRDK-INIZCTEOSA-N 1 0 370.287 3.315 20 10 FGCDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000824894808 729363995 /nfs/dbraw/zinc/36/39/95/729363995.db2.gz KFZVBBREKIXFEH-CQSZACIVSA-N 1 0 353.304 3.318 20 10 FGCDRO COc1ccc(C[NH2+]Cc2ccc(Br)cc2O)c(OC)c1 ZINC000825126635 729372079 /nfs/dbraw/zinc/37/20/79/729372079.db2.gz RGQPAGRMRJPHIE-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000825158105 729373021 /nfs/dbraw/zinc/37/30/21/729373021.db2.gz DXQFAYMBWRUDAF-HXUWFJFHSA-N 1 0 360.523 3.215 20 10 FGCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825277741 729376889 /nfs/dbraw/zinc/37/68/89/729376889.db2.gz FKOCBMOSKOXEAY-WBMJQRKESA-N 1 0 350.256 3.409 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1Cl ZINC000825384697 729381135 /nfs/dbraw/zinc/38/11/35/729381135.db2.gz HSMMBXFLJUNMFG-ZDUSSCGKSA-N 1 0 357.841 3.242 20 10 FGCDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1Cl ZINC000825692031 729391610 /nfs/dbraw/zinc/39/16/10/729391610.db2.gz FOHOHGQQGBCTGT-UHFFFAOYSA-N 1 0 374.934 3.036 20 10 FGCDRO Cc1cc([C@H]([NH3+])CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000825942516 729400304 /nfs/dbraw/zinc/40/03/04/729400304.db2.gz BPUWVIYKJBVHSY-QGZVFWFLSA-N 1 0 360.889 3.158 20 10 FGCDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1O ZINC000826142546 729405945 /nfs/dbraw/zinc/40/59/45/729405945.db2.gz FDCFTMFQWUMCRW-AWEZNQCLSA-N 1 0 363.255 3.021 20 10 FGCDRO CN(C)c1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c(C(F)(F)F)c1 ZINC000826784121 729415051 /nfs/dbraw/zinc/41/50/51/729415051.db2.gz ATDWNMOFJRLKQU-UHFFFAOYSA-N 1 0 353.388 3.141 20 10 FGCDRO COc1cc(O)c(C[NH2+]Cc2cccc3c2OC(F)(F)O3)cc1OC ZINC000827757799 729434275 /nfs/dbraw/zinc/43/42/75/729434275.db2.gz MYJNDRIWTYSLGW-UHFFFAOYSA-N 1 0 353.321 3.021 20 10 FGCDRO COC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000827929581 729437323 /nfs/dbraw/zinc/43/73/23/729437323.db2.gz NMILFPZKAVVKDM-UHFFFAOYSA-N 1 0 359.392 3.092 20 10 FGCDRO CC[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C(F)(F)F)cc1O ZINC000834888086 729843061 /nfs/dbraw/zinc/84/30/61/729843061.db2.gz MVBGNPHTJHLZOY-LZWOXQAQSA-N 1 0 358.404 3.315 20 10 FGCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000835037556 729852027 /nfs/dbraw/zinc/85/20/27/729852027.db2.gz QNKCILHYVZIHQE-YVMONPNESA-N 1 0 358.507 3.100 20 10 FGCDRO CCS(=O)(=O)c1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835043799 729852928 /nfs/dbraw/zinc/85/29/28/729852928.db2.gz ZILBLPAHQIRRRQ-WAYWQWQTSA-N 1 0 358.507 3.349 20 10 FGCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000840975427 730199695 /nfs/dbraw/zinc/19/96/95/730199695.db2.gz YEPDGOJGACDDKN-UHFFFAOYSA-N 1 0 366.552 3.299 20 10 FGCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000840974872 730200056 /nfs/dbraw/zinc/20/00/56/730200056.db2.gz PIVCGXFHOFJTKT-HNNXBMFYSA-N 1 0 367.287 3.132 20 10 FGCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2csc(Br)c2)cc1 ZINC000841043973 730205583 /nfs/dbraw/zinc/20/55/83/730205583.db2.gz RYTDKKGUEUEDCN-CQSZACIVSA-N 1 0 354.317 3.366 20 10 FGCDRO [NH3+][C@@H](CNCc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841051369 730206289 /nfs/dbraw/zinc/20/62/89/730206289.db2.gz QQANQDWDCFDJSG-INIZCTEOSA-N 1 0 352.320 3.266 20 10 FGCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000841763650 730271844 /nfs/dbraw/zinc/27/18/44/730271844.db2.gz OFJYMPYXPQQXIR-OALUTQOASA-N 1 0 364.555 3.226 20 10 FGCDRO COC1(C(F)(F)F)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000841888894 730282762 /nfs/dbraw/zinc/28/27/62/730282762.db2.gz UNTLAJKDKUSKKB-UHFFFAOYSA-N 1 0 358.404 3.067 20 10 FGCDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841896594 730284028 /nfs/dbraw/zinc/28/40/28/730284028.db2.gz MCLWQZZJMODQLO-KGLIPLIRSA-N 1 0 352.910 3.065 20 10 FGCDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCOCC1 ZINC000842740599 730538197 /nfs/dbraw/zinc/53/81/97/730538197.db2.gz RLHBDKFGGKUJTB-UHFFFAOYSA-N 1 0 355.862 3.274 20 10 FGCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@@H]1SC ZINC000842924370 730557868 /nfs/dbraw/zinc/55/78/68/730557868.db2.gz PIWYKTFAZNVMHG-AZFSHXRASA-N 1 0 368.518 3.222 20 10 FGCDRO COc1cc(Br)cc(CN2CCC([NH2+]CC3CC3)CC2)c1O ZINC000843054009 730574606 /nfs/dbraw/zinc/57/46/06/730574606.db2.gz AWSRZYPDMOOWRA-UHFFFAOYSA-N 1 0 369.303 3.127 20 10 FGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126642 730588936 /nfs/dbraw/zinc/58/89/36/730588936.db2.gz MLIRQBBIICTLNC-ZIAGYGMSSA-N 1 0 353.304 3.366 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843386163 730612513 /nfs/dbraw/zinc/61/25/13/730612513.db2.gz IOBBJJSMGKCATR-HUUCEWRRSA-N 1 0 350.890 3.460 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1ccc(N(C)C)cc1 ZINC000846856929 730988194 /nfs/dbraw/zinc/98/81/94/730988194.db2.gz FMOVEQVNTNROKZ-LBPRGKRZSA-N 1 0 354.376 3.335 20 10 FGCDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848527038 731175595 /nfs/dbraw/zinc/17/55/95/731175595.db2.gz PNQBEHWKJREFFZ-QWRGUYRKSA-N 1 0 373.291 3.119 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCNc2ccccn2)c1O ZINC000848528884 731176026 /nfs/dbraw/zinc/17/60/26/731176026.db2.gz JAFTUASCRBLWNP-NSHDSACASA-N 1 0 366.259 3.321 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000848530312 731176331 /nfs/dbraw/zinc/17/63/31/731176331.db2.gz CYGQMNPHYIHAPU-WCQYABFASA-N 1 0 374.275 3.010 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000848530314 731176444 /nfs/dbraw/zinc/17/64/44/731176444.db2.gz CYGQMNPHYIHAPU-YPMHNXCESA-N 1 0 374.275 3.010 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c1O ZINC000848533138 731176980 /nfs/dbraw/zinc/17/69/80/731176980.db2.gz OGZSOHTYTBOBKQ-NQBHXWOUSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)c1O ZINC000848548177 731179387 /nfs/dbraw/zinc/17/93/87/731179387.db2.gz AWNYUIYNEJWJQM-ZWNOBZJWSA-N 1 0 358.276 3.365 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000848565774 731182696 /nfs/dbraw/zinc/18/26/96/731182696.db2.gz LWIGTJFGXWONFC-SNVBAGLBSA-N 1 0 374.275 3.231 20 10 FGCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2O)c(C)o1 ZINC000848911763 731219880 /nfs/dbraw/zinc/21/98/80/731219880.db2.gz YSIRAEBOKPNDEZ-UHFFFAOYSA-N 1 0 354.200 3.133 20 10 FGCDRO Oc1c(Br)cccc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000849351901 731251792 /nfs/dbraw/zinc/25/17/92/731251792.db2.gz FBZVCCXSAFWQJC-MRXNPFEDSA-N 1 0 363.255 3.428 20 10 FGCDRO Cc1nc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]c1C ZINC000850163974 731327749 /nfs/dbraw/zinc/32/77/49/731327749.db2.gz JLDIGMYWIQLVCN-AWEZNQCLSA-N 1 0 350.413 3.387 20 10 FGCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000850352828 731347087 /nfs/dbraw/zinc/34/70/87/731347087.db2.gz JLBSUNPQKYQROH-UHFFFAOYSA-N 1 0 362.271 3.440 20 10 FGCDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000850384970 731350788 /nfs/dbraw/zinc/35/07/88/731350788.db2.gz VSUQINUJAWWUDF-CJNGLKHVSA-N 1 0 364.287 3.389 20 10 FGCDRO COC(=O)c1nc(C[NH2+][C@H](C)c2cccc(OC)c2O)ccc1Cl ZINC000850516557 731367423 /nfs/dbraw/zinc/36/74/23/731367423.db2.gz WYYOUUXTTJVTAZ-SNVBAGLBSA-N 1 0 350.802 3.087 20 10 FGCDRO C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000850557065 731372697 /nfs/dbraw/zinc/37/26/97/731372697.db2.gz KPJQNZYIISRDQT-WFASDCNBSA-N 1 0 369.303 3.059 20 10 FGCDRO CC[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000850559987 731373042 /nfs/dbraw/zinc/37/30/42/731373042.db2.gz BFQDZKRBALABQS-HOCLYGCPSA-N 1 0 351.878 3.376 20 10 FGCDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000852921421 731644204 /nfs/dbraw/zinc/64/42/04/731644204.db2.gz MMTJOKUZYUTXMW-NSHDSACASA-N 1 0 364.287 3.194 20 10 FGCDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Br)c1ccc(F)cc1F ZINC000858137117 732184583 /nfs/dbraw/zinc/18/45/83/732184583.db2.gz GNGLRWJNODVRGA-MRXNPFEDSA-N 1 0 372.209 3.430 20 10 FGCDRO C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000858141819 732185351 /nfs/dbraw/zinc/18/53/51/732185351.db2.gz RHODWODXMQFTCI-GASCZTMLSA-N 1 0 355.473 3.010 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000858195095 732191295 /nfs/dbraw/zinc/19/12/95/732191295.db2.gz RKQSUVMCZSRVQW-UHFFFAOYSA-N 1 0 350.203 3.185 20 10 FGCDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)c(Br)c1O ZINC000858239331 732196011 /nfs/dbraw/zinc/19/60/11/732196011.db2.gz LVBTUTPATLCEPW-UHFFFAOYSA-N 1 0 352.228 3.467 20 10 FGCDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000858473868 732218457 /nfs/dbraw/zinc/21/84/57/732218457.db2.gz RFAPKTXMEMIDGY-GWCFXTLKSA-N 1 0 354.244 3.376 20 10 FGCDRO Oc1cccc(Br)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000862315688 732807545 /nfs/dbraw/zinc/80/75/45/732807545.db2.gz DSGZCFVZEDLZEU-ZDUSSCGKSA-N 1 0 370.287 3.172 20 10 FGCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000862371562 732818680 /nfs/dbraw/zinc/81/86/80/732818680.db2.gz HWLASNWHKWZOFL-NSHDSACASA-N 1 0 356.651 3.452 20 10 FGCDRO Cc1scc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C ZINC000865423069 733196645 /nfs/dbraw/zinc/19/66/45/733196645.db2.gz FECWSKPHMMFLFD-QGZVFWFLSA-N 1 0 357.523 3.356 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1O ZINC000865762083 733264858 /nfs/dbraw/zinc/26/48/58/733264858.db2.gz LERUAIIWWNKVSP-LRDDRELGSA-N 1 0 370.287 3.458 20 10 FGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1O ZINC000866517936 733359933 /nfs/dbraw/zinc/35/99/33/733359933.db2.gz RZADCBSYBJEINY-IIAWOOMASA-N 1 0 361.463 3.056 20 10 FGCDRO CCCN(Cc1ccccc1O)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870877764 733898201 /nfs/dbraw/zinc/89/82/01/733898201.db2.gz MZYAVDXLZVXESE-UHFFFAOYSA-N 1 0 359.495 3.368 20 10 FGCDRO CCc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794423 735677655 /nfs/dbraw/zinc/67/76/55/735677655.db2.gz IXARGXYXAIRMPF-DOTOQJQBSA-N 1 0 365.539 3.119 20 10 FGCDRO COCCc1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000876531718 736109856 /nfs/dbraw/zinc/10/98/56/736109856.db2.gz NCWCFSLYPJOLHF-INIZCTEOSA-N 1 0 362.495 3.219 20 10 FGCDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sn1 ZINC000876946880 736166439 /nfs/dbraw/zinc/16/64/39/736166439.db2.gz XFRARYGAPBARDP-CHWSQXEVSA-N 1 0 365.474 3.194 20 10 FGCDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000876963678 736168268 /nfs/dbraw/zinc/16/82/68/736168268.db2.gz HYSYFZRKXJGOIS-VOIUYBSRSA-N 1 0 354.431 3.336 20 10 FGCDRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1Cl ZINC000879648685 737022840 /nfs/dbraw/zinc/02/28/40/737022840.db2.gz ZDMMVNZUUJWARD-LLVKDONJSA-N 1 0 364.829 3.352 20 10 FGCDRO C[NH+]1CCN(c2ccc(CNCc3nc4c(s3)CCCC4)cc2)CC1 ZINC000883283642 737547133 /nfs/dbraw/zinc/54/71/33/737547133.db2.gz MSPRBLQSJTYFFZ-UHFFFAOYSA-N 1 0 356.539 3.064 20 10 FGCDRO C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894107767 742240030 /nfs/dbraw/zinc/24/00/30/742240030.db2.gz QUGFUWJQVQOBOJ-HIFRSBDPSA-N 1 0 365.905 3.498 20 10 FGCDRO CCOC(=O)c1ncc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000894432232 742282830 /nfs/dbraw/zinc/28/28/30/742282830.db2.gz NCCAFXDUZHZMPN-UHFFFAOYSA-N 1 0 371.256 3.078 20 10 FGCDRO COc1cccc(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1O ZINC000894766858 742330546 /nfs/dbraw/zinc/33/05/46/742330546.db2.gz VSHPGEBPICFHEO-GFCCVEGCSA-N 1 0 360.401 3.039 20 10 FGCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000895536259 742424076 /nfs/dbraw/zinc/42/40/76/742424076.db2.gz IIJHRBVEMPJZMW-OAHLLOKOSA-N 1 0 370.287 3.220 20 10 FGCDRO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c(O)c1OC ZINC000895825365 742458855 /nfs/dbraw/zinc/45/88/55/742458855.db2.gz GHZOTSSUMLNSQP-LJQANCHMSA-N 1 0 365.857 3.146 20 10 FGCDRO COc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC000896983905 742626495 /nfs/dbraw/zinc/62/64/95/742626495.db2.gz CYRFNEMJGDUUER-CQSZACIVSA-N 1 0 350.459 3.138 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(Cl)cc1O ZINC000903435480 743850946 /nfs/dbraw/zinc/85/09/46/743850946.db2.gz QYGAXTYZRPVHGG-KOLCDFICSA-N 1 0 369.252 3.124 20 10 FGCDRO CC[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(C)cc1O ZINC000903434673 743850953 /nfs/dbraw/zinc/85/09/53/743850953.db2.gz NURWSDYFBRBNSK-GXTWGEPZSA-N 1 0 362.861 3.169 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1(Br)CC1 ZINC000924758814 759380416 /nfs/dbraw/zinc/38/04/16/759380416.db2.gz BNTFPOUUSPYTJJ-LBPRGKRZSA-N 1 0 371.294 3.192 20 10 FGCDRO C[C@@H]([NH2+][C@@H](C)C1(Br)CC1)c1ccc(N2CCOCC2)cc1 ZINC000924792551 759393401 /nfs/dbraw/zinc/39/34/01/759393401.db2.gz DGVHFIJRESMXBT-KGLIPLIRSA-N 1 0 353.304 3.490 20 10 FGCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929186081 760335566 /nfs/dbraw/zinc/33/55/66/760335566.db2.gz XAEDJXZKAGTWCV-IAGOWNOFSA-N 1 0 358.404 3.065 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CCC1(O)CCC1 ZINC000929755428 760450572 /nfs/dbraw/zinc/45/05/72/760450572.db2.gz OFFXUJHFWLLNIA-HNNXBMFYSA-N 1 0 372.303 3.033 20 10 FGCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1O ZINC000779030648 724382735 /nfs/dbraw/zinc/38/27/35/724382735.db2.gz CTLIMRWLWSQLDR-NSHDSACASA-N 1 0 355.276 3.173 20 10 FGCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000080105827 494597761 /nfs/dbraw/zinc/59/77/61/494597761.db2.gz GJYDNRUNRXAZFL-VQIMIIECSA-N 1 0 353.466 3.245 20 10 FGCDRO OCCn1nccc1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092811105 494755739 /nfs/dbraw/zinc/75/57/39/494755739.db2.gz OETHRRUXVQPTMF-UHFFFAOYSA-N 1 0 368.525 3.245 20 10 FGCDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000126850422 494849720 /nfs/dbraw/zinc/84/97/20/494849720.db2.gz WSUGUHRWOXUDGT-HNNXBMFYSA-N 1 0 362.493 3.050 20 10 FGCDRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000093480532 494895944 /nfs/dbraw/zinc/89/59/44/494895944.db2.gz QTHAQIHMDFNUBQ-KRWDZBQOSA-N 1 0 370.449 3.321 20 10 FGCDRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1F ZINC000111235663 495052330 /nfs/dbraw/zinc/05/23/30/495052330.db2.gz WIVWWBWFJVHLCJ-CQSZACIVSA-N 1 0 360.429 3.019 20 10 FGCDRO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000111235867 495053367 /nfs/dbraw/zinc/05/33/67/495053367.db2.gz WEIGATTYFRGCCG-CABCVRRESA-N 1 0 372.465 3.107 20 10 FGCDRO COc1ccc(N2CCC[N@H+](Cc3cccc(NC(C)=O)c3)CC2)cc1 ZINC000101545177 495074085 /nfs/dbraw/zinc/07/40/85/495074085.db2.gz OYACGRLMLBAGDF-UHFFFAOYSA-N 1 0 353.466 3.366 20 10 FGCDRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265602 495128344 /nfs/dbraw/zinc/12/83/44/495128344.db2.gz JOXKNQDQQLNASC-RDTXWAMCSA-N 1 0 373.884 3.325 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1C ZINC000130058190 495334766 /nfs/dbraw/zinc/33/47/66/495334766.db2.gz OFCKUHNVTKOQAV-HRCADAONSA-N 1 0 353.457 3.329 20 10 FGCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124807095 495346589 /nfs/dbraw/zinc/34/65/89/495346589.db2.gz AKVAKVJXCWDEHL-VBKZILBWSA-N 1 0 362.420 3.186 20 10 FGCDRO Oc1cc2c(cc1C[NH2+]CCc1coc(-c3ccc(F)cc3)n1)OCO2 ZINC000105482354 495365796 /nfs/dbraw/zinc/36/57/96/495365796.db2.gz SDMRNXFXTGXRHI-UHFFFAOYSA-N 1 0 356.353 3.247 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(Oc3cccc(C)n3)CC2)cc1OC ZINC000154357620 495591830 /nfs/dbraw/zinc/59/18/30/495591830.db2.gz SIQZELIKCPGUNW-UHFFFAOYSA-N 1 0 358.438 3.156 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000151069993 495729564 /nfs/dbraw/zinc/72/95/64/495729564.db2.gz IESVCWODUWWQGF-CPJLOUKISA-N 1 0 358.507 3.111 20 10 FGCDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)n1-c1ccccn1 ZINC000154795696 495731160 /nfs/dbraw/zinc/73/11/60/495731160.db2.gz NXTTVFGTAKRXJU-PKOBYXMFSA-N 1 0 352.482 3.045 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000159515986 495750319 /nfs/dbraw/zinc/75/03/19/495750319.db2.gz DSQAWOURCVLBJJ-UHFFFAOYSA-N 1 0 370.449 3.260 20 10 FGCDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(Br)cc1O ZINC000186028145 495826830 /nfs/dbraw/zinc/82/68/30/495826830.db2.gz CICSMAZGCNVKFI-SNVBAGLBSA-N 1 0 364.305 3.019 20 10 FGCDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2=O)cc1 ZINC000186050332 495836224 /nfs/dbraw/zinc/83/62/24/495836224.db2.gz PAAKYGJWIWKPBV-BEFAXECRSA-N 1 0 354.450 3.161 20 10 FGCDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000151547559 495873557 /nfs/dbraw/zinc/87/35/57/495873557.db2.gz VFXRAEPBQMZYGH-HNNXBMFYSA-N 1 0 360.477 3.415 20 10 FGCDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1O ZINC000186276330 495924486 /nfs/dbraw/zinc/92/44/86/495924486.db2.gz SNYHSWDPUDOGDA-RBUKOAKNSA-N 1 0 354.450 3.243 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000160519986 495981930 /nfs/dbraw/zinc/98/19/30/495981930.db2.gz AIYJJWXYCNGYHM-WMZOPIPTSA-N 1 0 365.477 3.300 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H](C)C(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000156284118 496205646 /nfs/dbraw/zinc/20/56/46/496205646.db2.gz NAVNHDKKYDUZIK-IAGOWNOFSA-N 1 0 359.514 3.043 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000156284356 496206280 /nfs/dbraw/zinc/20/62/80/496206280.db2.gz NAVNHDKKYDUZIK-SJORKVTESA-N 1 0 359.514 3.043 20 10 FGCDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000187113688 496299441 /nfs/dbraw/zinc/29/94/41/496299441.db2.gz CNMSPAMRPCBKSW-DOTOQJQBSA-N 1 0 354.450 3.223 20 10 FGCDRO Cc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)c(C)n1-c1ccccc1C ZINC000162245211 496322412 /nfs/dbraw/zinc/32/24/12/496322412.db2.gz LPKZYAPFCRGIQO-UHFFFAOYSA-N 1 0 369.509 3.373 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1O ZINC000153274710 496405766 /nfs/dbraw/zinc/40/57/66/496405766.db2.gz OJXSIKNVGAZISK-UHFFFAOYSA-N 1 0 368.477 3.494 20 10 FGCDRO COc1cc(N2CC[NH+](Cc3cccc(C)c3O)CC2)cc(OC)c1OC ZINC000184753463 496518778 /nfs/dbraw/zinc/51/87/78/496518778.db2.gz PLNXUUPOVDJORD-UHFFFAOYSA-N 1 0 372.465 3.049 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(N(C)C)cc1 ZINC000157710812 496535559 /nfs/dbraw/zinc/53/55/59/496535559.db2.gz UDEHKLOISHRJRI-IRXDYDNUSA-N 1 0 354.498 3.224 20 10 FGCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000164301281 496602679 /nfs/dbraw/zinc/60/26/79/496602679.db2.gz XITZLJMANKLNAD-LPHOPBHVSA-N 1 0 352.478 3.302 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)c1 ZINC000184987942 496613207 /nfs/dbraw/zinc/61/32/07/496613207.db2.gz DBNWIPXEXOIBKH-HNNXBMFYSA-N 1 0 354.450 3.374 20 10 FGCDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000164705838 496628697 /nfs/dbraw/zinc/62/86/97/496628697.db2.gz JOCJRZGANCBQEG-MRXNPFEDSA-N 1 0 360.477 3.298 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000179052795 496658831 /nfs/dbraw/zinc/65/88/31/496658831.db2.gz ZZZHPCQFUONCPV-GOSISDBHSA-N 1 0 368.477 3.319 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000185122703 496668836 /nfs/dbraw/zinc/66/88/36/496668836.db2.gz ZYCUXAFZOWEQEN-VXGBXAGGSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000268783401 496784717 /nfs/dbraw/zinc/78/47/17/496784717.db2.gz YYASWFNPECDRKT-KRWDZBQOSA-N 1 0 367.493 3.076 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000268806172 496792015 /nfs/dbraw/zinc/79/20/15/496792015.db2.gz MJXQXLSISGNELN-KRWDZBQOSA-N 1 0 367.493 3.076 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268846667 496801454 /nfs/dbraw/zinc/80/14/54/496801454.db2.gz JEOSLZQRGNOYPF-ZRGWGRIASA-N 1 0 360.477 3.414 20 10 FGCDRO O=C(NCc1ccc(N2CCCC2)cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000195171678 496840887 /nfs/dbraw/zinc/84/08/87/496840887.db2.gz AOTIWQVOVJJLOF-UHFFFAOYSA-N 1 0 363.505 3.224 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC000273566769 496841374 /nfs/dbraw/zinc/84/13/74/496841374.db2.gz JRPBYQWXKUWHPP-AWEZNQCLSA-N 1 0 358.438 3.204 20 10 FGCDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000269258944 496906771 /nfs/dbraw/zinc/90/67/71/496906771.db2.gz LNVKRZHQUUUTNX-INIZCTEOSA-N 1 0 353.466 3.171 20 10 FGCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1F ZINC000264962149 497020254 /nfs/dbraw/zinc/02/02/54/497020254.db2.gz ONESFFRQFZSDLX-UHFFFAOYSA-N 1 0 359.445 3.134 20 10 FGCDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1 ZINC000236903644 497166125 /nfs/dbraw/zinc/16/61/25/497166125.db2.gz SEDVQRZJABKMRL-FQEVSTJZSA-N 1 0 351.494 3.182 20 10 FGCDRO Nc1ccc(CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000237903995 497311655 /nfs/dbraw/zinc/31/16/55/497311655.db2.gz NDFPQGIDBDKBDS-IBGZPJMESA-N 1 0 357.885 3.418 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000275423525 497321146 /nfs/dbraw/zinc/32/11/46/497321146.db2.gz DTCKCZQNIRCPGB-KSSFIOAISA-N 1 0 365.861 3.024 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479752 497563957 /nfs/dbraw/zinc/56/39/57/497563957.db2.gz YZWYTGVRWIPOII-FXAWDEMLSA-N 1 0 367.493 3.444 20 10 FGCDRO CCOCc1cc(C[NH2+][C@](C)(CC(=O)OC)c2ccncc2)ccc1OC ZINC000276443399 497575830 /nfs/dbraw/zinc/57/58/30/497575830.db2.gz IZYUOWTXZKIXFV-OAQYLSRUSA-N 1 0 372.465 3.195 20 10 FGCDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856260 497831319 /nfs/dbraw/zinc/83/13/19/497831319.db2.gz BONKDQHBZACGQH-YYWHXJBOSA-N 1 0 372.509 3.075 20 10 FGCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280921920 497951075 /nfs/dbraw/zinc/95/10/75/497951075.db2.gz HKEXXPBYLOMJPG-HNNXBMFYSA-N 1 0 368.518 3.434 20 10 FGCDRO COC1CCN(c2ccc(C[N@@H+]3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000296315577 497995800 /nfs/dbraw/zinc/99/58/00/497995800.db2.gz NYRDSTAQIVIMGV-UHFFFAOYSA-N 1 0 367.484 3.075 20 10 FGCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000285367133 498065112 /nfs/dbraw/zinc/06/51/12/498065112.db2.gz ZDNCGRMWNIRJMY-QGZVFWFLSA-N 1 0 364.873 3.455 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000296667443 498144294 /nfs/dbraw/zinc/14/42/94/498144294.db2.gz FTQFGVIZRRSNQR-MSOLQXFVSA-N 1 0 360.523 3.119 20 10 FGCDRO Cc1cc(Br)cc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1O ZINC000289532675 498182666 /nfs/dbraw/zinc/18/26/66/498182666.db2.gz PZEFZVYIZHXUSM-CYBMUJFWSA-N 1 0 353.264 3.079 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccn2)C1)c1ccc(N2CCOCC2)cc1 ZINC000360054168 498241265 /nfs/dbraw/zinc/24/12/65/498241265.db2.gz ASKGDHJAYJRCIC-AZUAARDMSA-N 1 0 366.509 3.238 20 10 FGCDRO CCCOc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c(O)c1 ZINC000293033105 498242379 /nfs/dbraw/zinc/24/23/79/498242379.db2.gz RRAWHWVRHKTZDO-UHFFFAOYSA-N 1 0 356.466 3.307 20 10 FGCDRO Oc1ccccc1C[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000360714968 498302074 /nfs/dbraw/zinc/30/20/74/498302074.db2.gz RPLRAHCQRIZATO-UHFFFAOYSA-N 1 0 350.260 3.263 20 10 FGCDRO CN(C)c1ccc(CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C2CC2)cc1 ZINC000297324558 498405902 /nfs/dbraw/zinc/40/59/02/498405902.db2.gz BKELOZLJENILSO-UHFFFAOYSA-N 1 0 370.541 3.444 20 10 FGCDRO CCCn1ccnc1CCCN(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000365382999 498435732 /nfs/dbraw/zinc/43/57/32/498435732.db2.gz YVWSXALFCXLITI-UHFFFAOYSA-N 1 0 369.513 3.060 20 10 FGCDRO COc1ccc(N2CCC([NH2+]CCCNC(=O)c3cccs3)CC2)cc1 ZINC000362305688 498492083 /nfs/dbraw/zinc/49/20/83/498492083.db2.gz VCXGEXKRXINWAV-UHFFFAOYSA-N 1 0 373.522 3.135 20 10 FGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282409190 498500277 /nfs/dbraw/zinc/50/02/77/498500277.db2.gz AUBHDQCBNXNUNU-KRWDZBQOSA-N 1 0 355.438 3.187 20 10 FGCDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000366194152 498817502 /nfs/dbraw/zinc/81/75/02/498817502.db2.gz YWZNPQARGQUELI-HXUWFJFHSA-N 1 0 367.493 3.077 20 10 FGCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1OC ZINC000291155877 498821063 /nfs/dbraw/zinc/82/10/63/498821063.db2.gz BUQRLRUNCAQSLJ-QFIPXVFZSA-N 1 0 371.477 3.227 20 10 FGCDRO Cn1cc([C@@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)cn1 ZINC000294939029 498855600 /nfs/dbraw/zinc/85/56/00/498855600.db2.gz XXICAKWXXZMVEC-FPOVZHCZSA-N 1 0 351.450 3.123 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000363835779 499019184 /nfs/dbraw/zinc/01/91/84/499019184.db2.gz XGGLVXGKKGVEJS-LBPRGKRZSA-N 1 0 352.232 3.054 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 ZINC000369900937 499148152 /nfs/dbraw/zinc/14/81/52/499148152.db2.gz DFPNBIOHPBTUNJ-VXGBXAGGSA-N 1 0 354.376 3.268 20 10 FGCDRO COc1cc(O)c(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)cc1OC ZINC000367228582 499165117 /nfs/dbraw/zinc/16/51/17/499165117.db2.gz KTRNXAGLRQOUQU-UHFFFAOYSA-N 1 0 373.449 3.027 20 10 FGCDRO COCCC[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370343218 499211491 /nfs/dbraw/zinc/21/14/91/499211491.db2.gz NKWACRZPPGLBEJ-WMLDXEAASA-N 1 0 368.905 3.189 20 10 FGCDRO COc1cccc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC000368047908 499259293 /nfs/dbraw/zinc/25/92/93/499259293.db2.gz VPMNTOKOFGLNRB-MRXNPFEDSA-N 1 0 362.470 3.280 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1nccn1C ZINC000368468768 499299001 /nfs/dbraw/zinc/29/90/01/499299001.db2.gz BWCULIVPQSVTCW-KGLIPLIRSA-N 1 0 368.403 3.496 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[N@H+](C)[C@H]4C3)ccc21 ZINC000368588869 499310819 /nfs/dbraw/zinc/31/08/19/499310819.db2.gz HHEDLBSXZNVHCQ-UTKZUKDTSA-N 1 0 369.509 3.071 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368655285 499317902 /nfs/dbraw/zinc/31/79/02/499317902.db2.gz JIOCECHMSPWTLD-INIZCTEOSA-N 1 0 366.465 3.288 20 10 FGCDRO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000371458517 499329486 /nfs/dbraw/zinc/32/94/86/499329486.db2.gz QOXWYSTXCDTWCG-ICSRJNTNSA-N 1 0 365.521 3.494 20 10 FGCDRO Cc1occc1C(=O)N1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000371682677 499354683 /nfs/dbraw/zinc/35/46/83/499354683.db2.gz AUIJYRCGKKGXMP-UHFFFAOYSA-N 1 0 359.445 3.188 20 10 FGCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000371752009 499361419 /nfs/dbraw/zinc/36/14/19/499361419.db2.gz DIZOSLTZIFUHNE-LJQANCHMSA-N 1 0 353.397 3.347 20 10 FGCDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc2ccccc2c1O ZINC000371835110 499370154 /nfs/dbraw/zinc/37/01/54/499370154.db2.gz QEUBSMXXABUXNN-JTSKRJEESA-N 1 0 370.493 3.077 20 10 FGCDRO Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000369548746 499416215 /nfs/dbraw/zinc/41/62/15/499416215.db2.gz GMDVUFMEXMIPTI-HOTGVXAUSA-N 1 0 352.413 3.042 20 10 FGCDRO COc1c(O)c(C[NH2+][C@H]2COc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC000373196311 499456681 /nfs/dbraw/zinc/45/66/81/499456681.db2.gz VEFSGBICQLBXGD-LBPRGKRZSA-N 1 0 350.758 3.186 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000373606693 499479545 /nfs/dbraw/zinc/47/95/45/499479545.db2.gz BOJBTFUBQLLXGT-AWEZNQCLSA-N 1 0 355.438 3.208 20 10 FGCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCCCC2)cc1 ZINC000375853722 499562393 /nfs/dbraw/zinc/56/23/93/499562393.db2.gz ZQNNIRHRGUTLOJ-IEBWSBKVSA-N 1 0 353.514 3.340 20 10 FGCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccccc1O ZINC000376320986 499600329 /nfs/dbraw/zinc/60/03/29/499600329.db2.gz KSJSPIXFUBMVRS-YJBOKZPZSA-N 1 0 353.466 3.201 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC23CC3)C1 ZINC000416052430 499944848 /nfs/dbraw/zinc/94/48/48/499944848.db2.gz UBWPRMBEQMQOTL-INIZCTEOSA-N 1 0 351.494 3.324 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000471531246 502057126 /nfs/dbraw/zinc/05/71/26/502057126.db2.gz LAPQARCJDIKWIV-UHFFFAOYSA-N 1 0 356.514 3.408 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000472044101 502209990 /nfs/dbraw/zinc/20/99/90/502209990.db2.gz LTAWDVSILAGGLI-QGZVFWFLSA-N 1 0 356.514 3.264 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000472287108 502300316 /nfs/dbraw/zinc/30/03/16/502300316.db2.gz ORDXSSQZHSMQQQ-KRWDZBQOSA-N 1 0 354.498 3.114 20 10 FGCDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@H]1C ZINC000498553258 503208572 /nfs/dbraw/zinc/20/85/72/503208572.db2.gz FECKEQLTAGVPKR-CVEARBPZSA-N 1 0 371.525 3.459 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC3(C)CC[NH+](C)CC3)ccc21 ZINC000507638966 503337237 /nfs/dbraw/zinc/33/72/37/503337237.db2.gz DHCQKZZXWXXNEU-UHFFFAOYSA-N 1 0 371.525 3.366 20 10 FGCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000528863833 504421137 /nfs/dbraw/zinc/42/11/37/504421137.db2.gz QSHWRCCVIUCJJW-INIZCTEOSA-N 1 0 360.841 3.032 20 10 FGCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000565792899 504988928 /nfs/dbraw/zinc/98/89/28/504988928.db2.gz SRVUXHPRXKAYNM-NVXWUHKLSA-N 1 0 354.498 3.255 20 10 FGCDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N(C)C)cc1 ZINC000820926372 607057954 /nfs/dbraw/zinc/05/79/54/607057954.db2.gz SHSRTLRKWZNYKB-GOSISDBHSA-N 1 0 354.433 3.313 20 10 FGCDRO Oc1ccc(Cl)cc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826511638 608520266 /nfs/dbraw/zinc/52/02/66/608520266.db2.gz YHUPJLBTGRQSNT-UHFFFAOYSA-N 1 0 355.829 3.390 20 10 FGCDRO CC(C)COC(=O)N1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000089156330 700383012 /nfs/dbraw/zinc/38/30/12/700383012.db2.gz GAUHDLJWTPMOEQ-UHFFFAOYSA-N 1 0 357.545 3.472 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000093512746 700451938 /nfs/dbraw/zinc/45/19/38/700451938.db2.gz MONFPASCIMFKCU-UHFFFAOYSA-N 1 0 361.873 3.157 20 10 FGCDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000111394138 700548324 /nfs/dbraw/zinc/54/83/24/700548324.db2.gz QCPFRZZPLAREGM-UHFFFAOYSA-N 1 0 358.825 3.212 20 10 FGCDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000121657479 700677319 /nfs/dbraw/zinc/67/73/19/700677319.db2.gz MNSGPMBLVNBSJS-UHFFFAOYSA-N 1 0 364.287 3.196 20 10 FGCDRO COc1cccc(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000126997325 700755885 /nfs/dbraw/zinc/75/58/85/700755885.db2.gz MVDQEZWHOBKTOV-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000128449698 700775294 /nfs/dbraw/zinc/77/52/94/700775294.db2.gz ZWRPHXAYNCLZSP-HNNXBMFYSA-N 1 0 350.459 3.232 20 10 FGCDRO CCC[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000130736651 700805730 /nfs/dbraw/zinc/80/57/30/700805730.db2.gz UAJIXTXRZRCMPA-UHFFFAOYSA-N 1 0 357.841 3.466 20 10 FGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)N(C)C1CC1 ZINC000130806245 700806496 /nfs/dbraw/zinc/80/64/96/700806496.db2.gz XKOHQBLHWOITPO-GJZGRUSLSA-N 1 0 351.922 3.310 20 10 FGCDRO O=C1[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCN1C1CCCCC1 ZINC000131632487 700817943 /nfs/dbraw/zinc/81/79/43/700817943.db2.gz QGQOYVZPWDNQER-HNNXBMFYSA-N 1 0 367.287 3.178 20 10 FGCDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000131850813 700820648 /nfs/dbraw/zinc/82/06/48/700820648.db2.gz YAFIESMHYFDPFG-FUHWJXTLSA-N 1 0 351.510 3.289 20 10 FGCDRO COc1cc(C)cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000164171920 705326278 /nfs/dbraw/zinc/32/62/78/705326278.db2.gz DIDPDEQSRBRNGB-UHFFFAOYSA-N 1 0 350.459 3.198 20 10 FGCDRO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164528442 705329866 /nfs/dbraw/zinc/32/98/66/705329866.db2.gz OYRANZFXBFJDEH-IRXDYDNUSA-N 1 0 351.512 3.405 20 10 FGCDRO CC(=O)c1cc(Cl)cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1O ZINC000176994875 705600418 /nfs/dbraw/zinc/60/04/18/705600418.db2.gz CFOAWLCBOQMZJZ-UHFFFAOYSA-N 1 0 360.841 3.126 20 10 FGCDRO COc1cc(Br)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1O ZINC000179642371 705708604 /nfs/dbraw/zinc/70/86/04/705708604.db2.gz JILQJDDRVNOTDN-HNNXBMFYSA-N 1 0 369.303 3.224 20 10 FGCDRO COc1ccc(O)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000180900179 705762454 /nfs/dbraw/zinc/76/24/54/705762454.db2.gz AUYAMOGWMVWYFS-BBRMVZONSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000382453659 713979919 /nfs/dbraw/zinc/97/99/19/713979919.db2.gz HPKSYCMDXCCURW-DZGCQCFKSA-N 1 0 350.459 3.184 20 10 FGCDRO COCCN(CC[NH2+]Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000383246840 713980986 /nfs/dbraw/zinc/98/09/86/713980986.db2.gz DLTXBQNHFJTECH-UHFFFAOYSA-N 1 0 358.866 3.019 20 10 FGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(N2CCOCC2)cc1Cl ZINC000779089595 724389427 /nfs/dbraw/zinc/38/94/27/724389427.db2.gz UAXGIEBELYNESS-KHYOSLBOSA-N 1 0 352.906 3.378 20 10 FGCDRO CCCC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1O ZINC000802657770 724398354 /nfs/dbraw/zinc/39/83/54/724398354.db2.gz RQHJIFZOWLMFLN-UHFFFAOYSA-N 1 0 361.511 3.488 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1F ZINC000779189847 724398696 /nfs/dbraw/zinc/39/86/96/724398696.db2.gz FUPXMXXCEUSWPD-UHFFFAOYSA-N 1 0 364.852 3.379 20 10 FGCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756765049 722969774 /nfs/dbraw/zinc/96/97/74/722969774.db2.gz NDAGJCPZXXFPRK-IGNZVWTISA-N 1 0 354.441 3.089 20 10 FGCDRO CC[C@@H]1[C@@H]([NH2+]Cc2cccc(OC)c2O)CCN1C(=O)OC(C)(C)C ZINC000704629650 722411387 /nfs/dbraw/zinc/41/13/87/722411387.db2.gz NWZRRAAPCSTJLU-LSDHHAIUSA-N 1 0 350.459 3.278 20 10 FGCDRO C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000705923589 722412045 /nfs/dbraw/zinc/41/20/45/722412045.db2.gz PUDCJGFLMRKRJZ-CYBMUJFWSA-N 1 0 356.438 3.065 20 10 FGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncnc3c2CCC3)C1 ZINC000732048670 722481060 /nfs/dbraw/zinc/48/10/60/722481060.db2.gz FPDOBBSHNNALGI-HNNXBMFYSA-N 1 0 358.873 3.401 20 10 FGCDRO CC1(OCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000746301657 722597646 /nfs/dbraw/zinc/59/76/46/722597646.db2.gz OMRZDUXXDQYWOA-MRXNPFEDSA-N 1 0 366.889 3.085 20 10 FGCDRO Oc1ccc2oc3c(c2c1C[NH+]1CCN(CC(F)F)CC1)CCCC3 ZINC000748078406 722674560 /nfs/dbraw/zinc/67/45/60/722674560.db2.gz NNIWGFGAGOVAOC-UHFFFAOYSA-N 1 0 350.409 3.400 20 10 FGCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000750840495 722782955 /nfs/dbraw/zinc/78/29/55/722782955.db2.gz RBFOFUSWYGIMHB-UHFFFAOYSA-N 1 0 361.555 3.121 20 10 FGCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CS1 ZINC000754144880 722929998 /nfs/dbraw/zinc/92/99/98/722929998.db2.gz QZHQBDYUWJLPBB-AOIWGVFYSA-N 1 0 361.555 3.008 20 10 FGCDRO COCC(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000755181923 722951136 /nfs/dbraw/zinc/95/11/36/722951136.db2.gz VEKKNOVPFVGVOY-UHFFFAOYSA-N 1 0 360.420 3.304 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403279 722964041 /nfs/dbraw/zinc/96/40/41/722964041.db2.gz XNXLXQONHUKQFG-MNOVXSKESA-N 1 0 357.267 3.429 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(F)cc(F)c1[O-] ZINC000756433895 722964525 /nfs/dbraw/zinc/96/45/25/722964525.db2.gz ZWRYIXBIXSRTDQ-ZDUSSCGKSA-N 1 0 350.409 3.462 20 10 FGCDRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2O ZINC000756455157 722964965 /nfs/dbraw/zinc/96/49/65/722964965.db2.gz HSEGQGWMXDQTPG-XJKSGUPXSA-N 1 0 363.454 3.284 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccccc1Br ZINC000758525072 722991053 /nfs/dbraw/zinc/99/10/53/722991053.db2.gz CRGRYZHGPHLMET-CYBMUJFWSA-N 1 0 350.256 3.096 20 10 FGCDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccsc1 ZINC000789957551 723088143 /nfs/dbraw/zinc/08/81/43/723088143.db2.gz UMYOCTARMDRHAQ-CYBMUJFWSA-N 1 0 352.431 3.111 20 10 FGCDRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(O)ccc(Cl)c3F)nc2)C1 ZINC000790240912 723116161 /nfs/dbraw/zinc/11/61/61/723116161.db2.gz NFMQKNOOOWQNRC-ZDUSSCGKSA-N 1 0 364.852 3.332 20 10 FGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000761432256 723153553 /nfs/dbraw/zinc/15/35/53/723153553.db2.gz KQCPLBUJVSHHDI-BBRMVZONSA-N 1 0 358.511 3.004 20 10 FGCDRO Cc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000761981921 723203651 /nfs/dbraw/zinc/20/36/51/723203651.db2.gz JRTOLFMPENWXSK-MRXNPFEDSA-N 1 0 362.857 3.270 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O ZINC000763453402 723343861 /nfs/dbraw/zinc/34/38/61/723343861.db2.gz RXTAZQSORFACIU-LPHOPBHVSA-N 1 0 365.832 3.449 20 10 FGCDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765257156 723498686 /nfs/dbraw/zinc/49/86/86/723498686.db2.gz XFONGEMQRHXHEN-NVXWUHKLSA-N 1 0 363.571 3.398 20 10 FGCDRO CCN1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000766237435 723563913 /nfs/dbraw/zinc/56/39/13/723563913.db2.gz KTDGVXXXAQWLRV-INIZCTEOSA-N 1 0 353.457 3.331 20 10 FGCDRO CNC(=O)C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000795603653 723601644 /nfs/dbraw/zinc/60/16/44/723601644.db2.gz IBECHCMFOQHTFO-HNNXBMFYSA-N 1 0 363.255 3.122 20 10 FGCDRO COCC[N@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768196999 723650099 /nfs/dbraw/zinc/65/00/99/723650099.db2.gz GYGWCQPRZNKCCT-UHFFFAOYSA-N 1 0 364.486 3.372 20 10 FGCDRO O=C(COC1CCCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912012 723672048 /nfs/dbraw/zinc/67/20/48/723672048.db2.gz LNRXSPSOLYXRPX-INIZCTEOSA-N 1 0 366.889 3.085 20 10 FGCDRO CCCCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915059 723672113 /nfs/dbraw/zinc/67/21/13/723672113.db2.gz INKSUVAMYQDZIP-PBHICJAKSA-N 1 0 368.905 3.331 20 10 FGCDRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000797581997 723838059 /nfs/dbraw/zinc/83/80/59/723838059.db2.gz HHQNGCUPYCTYAF-POAQFYNOSA-N 1 0 364.555 3.226 20 10 FGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1 ZINC000775037023 723954904 /nfs/dbraw/zinc/95/49/04/723954904.db2.gz JIWYHNLFVRXNSS-UHFFFAOYSA-N 1 0 373.396 3.413 20 10 FGCDRO CC[N@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)C(F)(F)F ZINC000799125379 723989624 /nfs/dbraw/zinc/98/96/24/723989624.db2.gz LOUSREDJZFWXBV-LBPRGKRZSA-N 1 0 356.182 3.290 20 10 FGCDRO O=S1(=O)CC[C@@H]([NH2+]CCCSc2nccs2)c2cc(F)ccc21 ZINC000775630010 724012937 /nfs/dbraw/zinc/01/29/37/724012937.db2.gz CFCBAQHFPGOVRD-CYBMUJFWSA-N 1 0 372.512 3.273 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000775738326 724035139 /nfs/dbraw/zinc/03/51/39/724035139.db2.gz ANNSUMRIPXRENT-KGLIPLIRSA-N 1 0 350.459 3.136 20 10 FGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000775739068 724035601 /nfs/dbraw/zinc/03/56/01/724035601.db2.gz CBAMVMSVSBPKEY-HIFRSBDPSA-N 1 0 350.459 3.278 20 10 FGCDRO NC(=O)[C@H](C[NH2+]Cc1c(O)cccc1Cl)Cc1ccccc1Cl ZINC000776935323 724197426 /nfs/dbraw/zinc/19/74/26/724197426.db2.gz ACTNZALKHMFGMJ-LBPRGKRZSA-N 1 0 353.249 3.133 20 10 FGCDRO COc1ccc(C[NH2+]Cc2c[nH]c(=NC(=O)OC(C)(C)C)s2)c(O)c1 ZINC000800524140 724208547 /nfs/dbraw/zinc/20/85/47/724208547.db2.gz BKVCDCTVRDBRHI-UHFFFAOYSA-N 1 0 365.455 3.494 20 10 FGCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NCCC[NH+](C)C)cc2Cl)C1 ZINC000800697215 724222339 /nfs/dbraw/zinc/22/23/39/724222339.db2.gz MKMWIVCRIINZLK-HNNXBMFYSA-N 1 0 366.937 3.327 20 10 FGCDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3cncc(Cl)n3)CC1)CCC2 ZINC000777553274 724237857 /nfs/dbraw/zinc/23/78/57/724237857.db2.gz QKQHOWPZDWZYFK-UHFFFAOYSA-N 1 0 359.857 3.368 20 10 FGCDRO CCn1nccc1CC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000801925860 724346638 /nfs/dbraw/zinc/34/66/38/724346638.db2.gz RYUOPXJPLMWDMF-UHFFFAOYSA-N 1 0 352.276 3.436 20 10 FGCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(Br)ccc1O ZINC000784625778 724868904 /nfs/dbraw/zinc/86/89/04/724868904.db2.gz OLSUPPVVCCMZAX-AWEZNQCLSA-N 1 0 354.244 3.485 20 10 FGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)c2c1c(F)ccc2O ZINC000786964621 725010359 /nfs/dbraw/zinc/01/03/59/725010359.db2.gz ZJHJYYSXWUVFTG-CABZTGNLSA-N 1 0 355.456 3.334 20 10 FGCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000806138293 725117428 /nfs/dbraw/zinc/11/74/28/725117428.db2.gz YDPDBSMEHBKEBG-WMLDXEAASA-N 1 0 358.404 3.364 20 10 FGCDRO Cn1cc(C[NH2+]Cc2cc(Br)ccc2O)c(C(C)(C)C)n1 ZINC000809713352 725261583 /nfs/dbraw/zinc/26/15/83/725261583.db2.gz NCKBSQNWINLXMI-UHFFFAOYSA-N 1 0 352.276 3.476 20 10 FGCDRO Cc1nn2c(nc(C)c2C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000809712685 725261629 /nfs/dbraw/zinc/26/16/29/725261629.db2.gz BYOJWNJCSOCILR-UHFFFAOYSA-N 1 0 367.272 3.166 20 10 FGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000809726873 725263354 /nfs/dbraw/zinc/26/33/54/725263354.db2.gz WSBRUYYUQXUUBE-INIZCTEOSA-N 1 0 350.459 3.282 20 10 FGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000809725889 725263369 /nfs/dbraw/zinc/26/33/69/725263369.db2.gz FMQUZNBFFYYLLQ-INIZCTEOSA-N 1 0 350.459 3.282 20 10 FGCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000809725909 725263384 /nfs/dbraw/zinc/26/33/84/725263384.db2.gz GBMBAVWFJVUKTH-INIZCTEOSA-N 1 0 350.459 3.282 20 10 FGCDRO Cc1cc(Br)c(O)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000809737158 725263868 /nfs/dbraw/zinc/26/38/68/725263868.db2.gz DGGBXBLXZZSZKL-HNNXBMFYSA-N 1 0 371.319 3.006 20 10 FGCDRO COc1cccc(C[NH2+]Cc2cccc(I)c2)c1O ZINC000809740370 725264198 /nfs/dbraw/zinc/26/41/98/725264198.db2.gz WQDCJPVGUZTBQD-UHFFFAOYSA-N 1 0 369.202 3.295 20 10 FGCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)C1 ZINC000810226370 725298179 /nfs/dbraw/zinc/29/81/79/725298179.db2.gz FAMXEWLMFQEONM-JSGCOSHPSA-N 1 0 359.392 3.256 20 10 FGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810235707 725298699 /nfs/dbraw/zinc/29/86/99/725298699.db2.gz UIHSKTWTBNHSEM-GXTWGEPZSA-N 1 0 365.417 3.419 20 10 FGCDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)NC)c1ccc(C(F)(F)F)cc1O ZINC000810240587 725299073 /nfs/dbraw/zinc/29/90/73/725299073.db2.gz ZAPGSODPFVDISE-STQMWFEESA-N 1 0 364.433 3.319 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3cn(C)nc3C(F)F)CC2)cc1 ZINC000812747714 726808027 /nfs/dbraw/zinc/80/80/27/726808027.db2.gz BUIXRLWEKALUHJ-UHFFFAOYSA-N 1 0 350.413 3.125 20 10 FGCDRO COc1cccc(O)c1C[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000815144595 727044620 /nfs/dbraw/zinc/04/46/20/727044620.db2.gz HFELRRIRPOWAPB-UHFFFAOYSA-N 1 0 351.830 3.404 20 10 FGCDRO C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816543067 727173227 /nfs/dbraw/zinc/17/32/27/727173227.db2.gz MWMZDJAOXNOVKD-UHFFFAOYSA-N 1 0 352.837 3.415 20 10 FGCDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819063378 727343762 /nfs/dbraw/zinc/34/37/62/727343762.db2.gz MAZOSNXUISLZCD-OAHLLOKOSA-N 1 0 352.525 3.272 20 10 FGCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccccc3Cl)C2)cc1 ZINC000819380700 727372047 /nfs/dbraw/zinc/37/20/47/727372047.db2.gz RPQJWDCEMHSOQN-YWZLYKJASA-N 1 0 360.885 3.498 20 10 FGCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCCSc2nccs2)C1 ZINC000823938049 729313240 /nfs/dbraw/zinc/31/32/40/729313240.db2.gz QNAKGLJFJWGKMK-GUYCJALGSA-N 1 0 369.556 3.472 20 10 FGCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000824181593 729322945 /nfs/dbraw/zinc/32/29/45/729322945.db2.gz TZDQMTOCCWXGOM-HXUWFJFHSA-N 1 0 358.507 3.376 20 10 FGCDRO Fc1ccc(OCC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000824591319 729349422 /nfs/dbraw/zinc/34/94/22/729349422.db2.gz UHQYXHRGYXCIMR-UHFFFAOYSA-N 1 0 364.848 3.484 20 10 FGCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000824690579 729355295 /nfs/dbraw/zinc/35/52/95/729355295.db2.gz HAOFQIHJLXNTRX-HXUWFJFHSA-N 1 0 360.885 3.342 20 10 FGCDRO Cn1cc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC23CCOCC3)cn1 ZINC000824716623 729356409 /nfs/dbraw/zinc/35/64/09/729356409.db2.gz XEGGRIGTEFITIO-KRWDZBQOSA-N 1 0 361.873 3.175 20 10 FGCDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000824799970 729359498 /nfs/dbraw/zinc/35/94/98/729359498.db2.gz SEOZFZLMJPNOFC-XLIONFOSSA-N 1 0 350.478 3.203 20 10 FGCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000824912985 729364837 /nfs/dbraw/zinc/36/48/37/729364837.db2.gz DXQQMZQTAVVXBU-UHFFFAOYSA-N 1 0 366.918 3.480 20 10 FGCDRO COc1cc(Cl)cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000824926771 729365403 /nfs/dbraw/zinc/36/54/03/729365403.db2.gz SRQGYEVFNWZPFX-MRXNPFEDSA-N 1 0 362.857 3.363 20 10 FGCDRO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@H]1n1ccnc1 ZINC000824928049 729365408 /nfs/dbraw/zinc/36/54/08/729365408.db2.gz TUZNZTWQMLHUMK-IUODEOHRSA-N 1 0 350.260 3.434 20 10 FGCDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1ccccc1O ZINC000825133734 729372495 /nfs/dbraw/zinc/37/24/95/729372495.db2.gz MGLLSHVUESQVQC-AWEZNQCLSA-N 1 0 364.283 3.404 20 10 FGCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825326436 729378835 /nfs/dbraw/zinc/37/88/35/729378835.db2.gz PXSQIZUFUPUAGO-MNVSYLFESA-N 1 0 360.317 3.324 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](O)Cc1ccccc1 ZINC000825371294 729380789 /nfs/dbraw/zinc/38/07/89/729380789.db2.gz VSLHAXBRMIFLCD-BLLLJJGKSA-N 1 0 350.256 3.236 20 10 FGCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825548008 729387287 /nfs/dbraw/zinc/38/72/87/729387287.db2.gz AMHPXJAPLYZPQM-AAEUAGOBSA-N 1 0 371.275 3.111 20 10 FGCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1O ZINC000825922438 729399637 /nfs/dbraw/zinc/39/96/37/729399637.db2.gz QYLNLWVPENXURH-CQSZACIVSA-N 1 0 365.857 3.009 20 10 FGCDRO Cc1cc(C(=O)CN(CCCO)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827852604 729435985 /nfs/dbraw/zinc/43/59/85/729435985.db2.gz LKEIJSVPDSUMDB-UHFFFAOYSA-N 1 0 361.873 3.172 20 10 FGCDRO Cc1cc(C(=O)CN(C)C[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827990754 729438131 /nfs/dbraw/zinc/43/81/31/729438131.db2.gz KAWMQPLXJJITHI-OAHLLOKOSA-N 1 0 361.873 3.294 20 10 FGCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)c1 ZINC000828667184 729446421 /nfs/dbraw/zinc/44/64/21/729446421.db2.gz NTXAJGLNAGCISW-XHDPSFHLSA-N 1 0 363.845 3.025 20 10 FGCDRO C[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)(C)C[NH+](C)C ZINC000830414030 729556325 /nfs/dbraw/zinc/55/63/25/729556325.db2.gz KWVJTVOZIOXYNN-CYBMUJFWSA-N 1 0 360.527 3.022 20 10 FGCDRO Cc1cc(OC(F)F)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832274433 729701511 /nfs/dbraw/zinc/70/15/11/729701511.db2.gz SZNDGNVUAIWOEZ-CYBMUJFWSA-N 1 0 369.437 3.154 20 10 FGCDRO C[C@@H]1CCc2sc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2C1 ZINC000832285162 729702393 /nfs/dbraw/zinc/70/23/93/729702393.db2.gz PCGHSENQKDSFMP-CXAGYDPISA-N 1 0 357.523 3.369 20 10 FGCDRO Cc1nsc(N2CCC[N@@H+](C/C=C/c3ccc(N(C)C)cc3)CC2)n1 ZINC000835028017 729850933 /nfs/dbraw/zinc/85/09/33/729850933.db2.gz IFEAXJXFJMUJTP-GQCTYLIASA-N 1 0 357.527 3.138 20 10 FGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c(C(F)(F)F)c1 ZINC000835075516 729856730 /nfs/dbraw/zinc/85/67/30/729856730.db2.gz YRZVKUNKPCHTOU-GOEBONIOSA-N 1 0 355.404 3.014 20 10 FGCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1O ZINC000840948699 730195615 /nfs/dbraw/zinc/19/56/15/730195615.db2.gz JNUSDQRZMRQIDJ-CQSZACIVSA-N 1 0 365.857 3.009 20 10 FGCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000841045164 730205682 /nfs/dbraw/zinc/20/56/82/730205682.db2.gz JAAZGKONPYJUFN-QGZVFWFLSA-N 1 0 355.511 3.004 20 10 FGCDRO Cc1cccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1F ZINC000841494927 730248940 /nfs/dbraw/zinc/24/89/40/730248940.db2.gz FRDQZGSRBKHCMC-GXDHUFHOSA-N 1 0 350.484 3.430 20 10 FGCDRO COc1ccc(F)c(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000841497844 730249233 /nfs/dbraw/zinc/24/92/33/730249233.db2.gz ZBAMHPPSIGQMSR-XNTDXEJSSA-N 1 0 366.483 3.130 20 10 FGCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744981 730269805 /nfs/dbraw/zinc/26/98/05/730269805.db2.gz LVVQLJPLIRIPER-NEPJUHHUSA-N 1 0 368.886 3.366 20 10 FGCDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1O ZINC000841743513 730269851 /nfs/dbraw/zinc/26/98/51/730269851.db2.gz ANRGOIURGDVKIG-ZDUSSCGKSA-N 1 0 362.857 3.363 20 10 FGCDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841756390 730270892 /nfs/dbraw/zinc/27/08/92/730270892.db2.gz XMNIGZBITPAHJD-LBPRGKRZSA-N 1 0 353.871 3.441 20 10 FGCDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n(C)n1 ZINC000841865549 730281725 /nfs/dbraw/zinc/28/17/25/730281725.db2.gz TVPQYNRIQLHWTC-CQSZACIVSA-N 1 0 350.413 3.089 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(Br)cc1O ZINC000842887122 730554034 /nfs/dbraw/zinc/55/40/34/730554034.db2.gz WONUZRPUKMJYAH-MFKMUULPSA-N 1 0 355.276 3.205 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1O ZINC000842919962 730556999 /nfs/dbraw/zinc/55/69/99/730556999.db2.gz OEAKQYSWWKYPIJ-PXAZEXFGSA-N 1 0 372.303 3.291 20 10 FGCDRO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126641 730589038 /nfs/dbraw/zinc/58/90/38/730589038.db2.gz MLIRQBBIICTLNC-UONOGXRCSA-N 1 0 353.304 3.366 20 10 FGCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000843350050 730609457 /nfs/dbraw/zinc/60/94/57/730609457.db2.gz IQDPXZRJPKZPTF-LJQANCHMSA-N 1 0 355.869 3.357 20 10 FGCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000843406341 730616089 /nfs/dbraw/zinc/61/60/89/730616089.db2.gz HIAIMMUDOXQPQL-ZFWWWQNUSA-N 1 0 350.459 3.136 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc4c3CCC4)SC2=S)CC1 ZINC000844267760 730696223 /nfs/dbraw/zinc/69/62/23/730696223.db2.gz BIEJRJWKPHPNJU-ATVHPVEESA-N 1 0 358.532 3.471 20 10 FGCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnc(Br)c2)cc1 ZINC000844401172 730712762 /nfs/dbraw/zinc/71/27/62/730712762.db2.gz IJRNEEGQUVPPGD-UHFFFAOYSA-N 1 0 364.287 3.421 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2CNc3ccccc3C2)c1O ZINC000844907814 730787873 /nfs/dbraw/zinc/78/78/73/730787873.db2.gz OCHOMVFRFNAWGI-CQSZACIVSA-N 1 0 363.255 3.290 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000845971135 730913673 /nfs/dbraw/zinc/91/36/73/730913673.db2.gz HITRNZCEBAMIOY-ZIAGYGMSSA-N 1 0 363.479 3.259 20 10 FGCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000846100967 730928774 /nfs/dbraw/zinc/92/87/74/730928774.db2.gz WLJUYYYOWXBWMO-STWLZBDKSA-N 1 0 354.519 3.418 20 10 FGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000846167267 730933264 /nfs/dbraw/zinc/93/32/64/730933264.db2.gz VVRDRZLCFTXABW-JSGCOSHPSA-N 1 0 351.393 3.181 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846210678 730936817 /nfs/dbraw/zinc/93/68/17/730936817.db2.gz BHZBYDYVOFZZTB-MLGOLLRUSA-N 1 0 358.276 3.045 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(C)c2C)c1O ZINC000848536490 731177595 /nfs/dbraw/zinc/17/75/95/731177595.db2.gz PWPAKXJKGJRPRK-VIFPVBQESA-N 1 0 354.248 3.056 20 10 FGCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nnc(C)s2)c1O ZINC000848550442 731179738 /nfs/dbraw/zinc/17/97/38/731179738.db2.gz MQVKTIBVWDLVPV-MRVPVSSYSA-N 1 0 372.288 3.217 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccccn2)c1O ZINC000848567305 731182766 /nfs/dbraw/zinc/18/27/66/731182766.db2.gz SFOCMPXMEMQHLQ-LLVKDONJSA-N 1 0 351.244 3.279 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848569608 731183393 /nfs/dbraw/zinc/18/33/93/731183393.db2.gz FYJCUWXSMAAGPN-ZWNOBZJWSA-N 1 0 369.259 3.097 20 10 FGCDRO CCc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000848905723 731219127 /nfs/dbraw/zinc/21/91/27/731219127.db2.gz LXSSKIIQPBYFEE-UHFFFAOYSA-N 1 0 353.871 3.301 20 10 FGCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000848918538 731220711 /nfs/dbraw/zinc/22/07/11/731220711.db2.gz CJTAVTSZYYRGAI-UHFFFAOYSA-N 1 0 350.434 3.364 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1O ZINC000850372815 731349499 /nfs/dbraw/zinc/34/94/99/731349499.db2.gz ZIDMGUNHOVZFSB-LSDHHAIUSA-N 1 0 364.239 3.431 20 10 FGCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCC1 ZINC000850426059 731355966 /nfs/dbraw/zinc/35/59/66/731355966.db2.gz ZSLDALDNNXIMNC-JYJNAYRXSA-N 1 0 350.478 3.487 20 10 FGCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](OC)[C@H]1CCOC1 ZINC000851792863 731499451 /nfs/dbraw/zinc/49/94/51/731499451.db2.gz QKHGQLIJOJDODD-LRDDRELGSA-N 1 0 358.276 3.028 20 10 FGCDRO CCC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCC(F)(F)CC1 ZINC000852791107 731635941 /nfs/dbraw/zinc/63/59/41/731635941.db2.gz COTZMTHWKWCXDA-INIZCTEOSA-N 1 0 353.457 3.474 20 10 FGCDRO COc1cc(C)cc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000853520069 731717182 /nfs/dbraw/zinc/71/71/82/731717182.db2.gz KWROBISPVFGHBA-UHFFFAOYSA-N 1 0 352.475 3.444 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000858086597 732178714 /nfs/dbraw/zinc/17/87/14/732178714.db2.gz CHADZMYRXXXQHX-LLVKDONJSA-N 1 0 350.212 3.084 20 10 FGCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1OC ZINC000858086557 732178936 /nfs/dbraw/zinc/17/89/36/732178936.db2.gz KHZDSWCJQFTIJX-UHFFFAOYSA-N 1 0 352.228 3.462 20 10 FGCDRO COc1cc(CC[NH2+]Cc2c(O)cccc2Br)ccc1O ZINC000858137936 732184601 /nfs/dbraw/zinc/18/46/01/732184601.db2.gz IUHOVBSJKRINLK-UHFFFAOYSA-N 1 0 352.228 3.201 20 10 FGCDRO Oc1cccc(Br)c1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000858162186 732187596 /nfs/dbraw/zinc/18/75/96/732187596.db2.gz RNGFCDILYIYIIU-UHFFFAOYSA-N 1 0 368.300 3.370 20 10 FGCDRO OC[C@@]1(C[NH2+]Cc2c(O)cccc2Br)C[C@H]1c1ccccc1 ZINC000858165902 732188416 /nfs/dbraw/zinc/18/84/16/732188416.db2.gz RFQBLXODSOHQJE-YJBOKZPZSA-N 1 0 362.267 3.411 20 10 FGCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Br)c1ccc(F)cc1 ZINC000858177674 732189243 /nfs/dbraw/zinc/18/92/43/732189243.db2.gz GGHIJVXPSBYHQY-GFCCVEGCSA-N 1 0 354.219 3.160 20 10 FGCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000858195390 732191226 /nfs/dbraw/zinc/19/12/26/732191226.db2.gz VDLFRRRFROEOTG-PXAZEXFGSA-N 1 0 350.256 3.409 20 10 FGCDRO Cc1cc(C2([NH2+]Cc3cc(Br)ccc3O)CCOCC2)on1 ZINC000858325746 732203368 /nfs/dbraw/zinc/20/33/68/732203368.db2.gz JXVFGLLRKDUGKS-UHFFFAOYSA-N 1 0 367.243 3.247 20 10 FGCDRO CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cc(Br)ccc1O ZINC000858475504 732218760 /nfs/dbraw/zinc/21/87/60/732218760.db2.gz ZUVJLQIGQFNFQM-TZMCWYRMSA-N 1 0 354.244 3.457 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000858563779 732227372 /nfs/dbraw/zinc/22/73/72/732227372.db2.gz UZLJNRWMCYIXRN-VIFPVBQESA-N 1 0 353.216 3.115 20 10 FGCDRO CC(C)CNC(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862216495 732787787 /nfs/dbraw/zinc/78/77/87/732787787.db2.gz YQBPQZWRJREXCX-UHFFFAOYSA-N 1 0 369.303 3.139 20 10 FGCDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000862333055 732810988 /nfs/dbraw/zinc/81/09/88/732810988.db2.gz NAZJQSWYMIFNNE-SFHVURJKSA-N 1 0 373.250 3.251 20 10 FGCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862365925 732817389 /nfs/dbraw/zinc/81/73/89/732817389.db2.gz HPZZGHSVZCHHNH-GFCCVEGCSA-N 1 0 355.276 3.035 20 10 FGCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862375838 732819193 /nfs/dbraw/zinc/81/91/93/732819193.db2.gz SAYXMPXZRCJWRW-SFHVURJKSA-N 1 0 362.267 3.291 20 10 FGCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862394890 732823838 /nfs/dbraw/zinc/82/38/38/732823838.db2.gz SHRXAAKJMQVMII-CYBMUJFWSA-N 1 0 367.287 3.132 20 10 FGCDRO CCC1(N2CCOCC2)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000862536611 732846205 /nfs/dbraw/zinc/84/62/05/732846205.db2.gz QGSCOKZBPYFJTN-UHFFFAOYSA-N 1 0 352.906 3.431 20 10 FGCDRO COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863645482 732990006 /nfs/dbraw/zinc/99/00/06/732990006.db2.gz INOGEVDFLVHJCU-ZYHUDNBSSA-N 1 0 352.784 3.013 20 10 FGCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1O ZINC000865784781 733269520 /nfs/dbraw/zinc/26/95/20/733269520.db2.gz IXAVNFHDHWYQFA-WFASDCNBSA-N 1 0 370.287 3.316 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1O ZINC000866447209 733350730 /nfs/dbraw/zinc/35/07/30/733350730.db2.gz WWUXIDUACDKVCA-LSERIUQWSA-N 1 0 368.271 3.237 20 10 FGCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000866463053 733352846 /nfs/dbraw/zinc/35/28/46/733352846.db2.gz HQRPHEZALHDWFC-KJNMHVQDSA-N 1 0 372.181 3.126 20 10 FGCDRO CCCOc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000873130023 735723702 /nfs/dbraw/zinc/72/37/02/735723702.db2.gz XXLKHNFOXOJZKA-KRWDZBQOSA-N 1 0 359.491 3.445 20 10 FGCDRO COc1ccc(O)c(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)c1 ZINC000877036008 736178779 /nfs/dbraw/zinc/17/87/79/736178779.db2.gz MAVUXDJNBWLKRG-UHFFFAOYSA-N 1 0 355.360 3.242 20 10 FGCDRO CSc1ccsc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851414 737390384 /nfs/dbraw/zinc/39/03/84/737390384.db2.gz JUUNPHIKXLRVFX-UHFFFAOYSA-N 1 0 361.536 3.152 20 10 FGCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000885940651 739201468 /nfs/dbraw/zinc/20/14/68/739201468.db2.gz OJJJFVWKRKPCCK-WMZOPIPTSA-N 1 0 350.478 3.224 20 10 FGCDRO Cc1cnc(Cl)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891242265 739885944 /nfs/dbraw/zinc/88/59/44/739885944.db2.gz DKZNNBLEBLJZRP-QGZVFWFLSA-N 1 0 360.889 3.142 20 10 FGCDRO Cc1csc([C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891248881 739886515 /nfs/dbraw/zinc/88/65/15/739886515.db2.gz NXVKMRBDCVUNRR-WMLDXEAASA-N 1 0 360.527 3.040 20 10 FGCDRO CC(C)c1ncsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249830 739886633 /nfs/dbraw/zinc/88/66/33/739886633.db2.gz TWKASVSBGWPQNA-MRXNPFEDSA-N 1 0 360.527 3.365 20 10 FGCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c(O)c1OC ZINC000893265367 742132285 /nfs/dbraw/zinc/13/22/85/742132285.db2.gz BOSMZAIBXBSMGL-CQSZACIVSA-N 1 0 355.793 3.025 20 10 FGCDRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(F)c(F)c1 ZINC000893286865 742135326 /nfs/dbraw/zinc/13/53/26/742135326.db2.gz XJYGOWJZQRMVOX-HNNXBMFYSA-N 1 0 353.365 3.165 20 10 FGCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2ccccc2Br)c1O ZINC000894955160 742356552 /nfs/dbraw/zinc/35/65/52/742356552.db2.gz GYPAHAOVCUMHBY-HNNXBMFYSA-N 1 0 366.255 3.295 20 10 FGCDRO COc1ccc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)c(O)c1OC ZINC000894988336 742361681 /nfs/dbraw/zinc/36/16/81/742361681.db2.gz DGNJSXPQGSQIOF-UHFFFAOYSA-N 1 0 364.829 3.100 20 10 FGCDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000896842189 742607111 /nfs/dbraw/zinc/60/71/11/742607111.db2.gz BYENXMKHFDSMKV-UHFFFAOYSA-N 1 0 360.479 3.449 20 10 FGCDRO COc1cc(Br)cc(C[NH+]2CCC(O)(C3CCC3)CC2)c1O ZINC000897034871 742633989 /nfs/dbraw/zinc/63/39/89/742633989.db2.gz OHEUZBQGIKGWHH-UHFFFAOYSA-N 1 0 370.287 3.290 20 10 FGCDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)c1nncn1C ZINC000903064497 743801065 /nfs/dbraw/zinc/80/10/65/743801065.db2.gz MWGSYAGLBHCQJO-QMTHXVAHSA-N 1 0 353.264 3.331 20 10 FGCDRO C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(Br)ccc1O ZINC000903347232 743839469 /nfs/dbraw/zinc/83/94/69/743839469.db2.gz MDEDIACNQRQRRB-GFCCVEGCSA-N 1 0 370.287 3.127 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000903391393 743843812 /nfs/dbraw/zinc/84/38/12/743843812.db2.gz XOSMMPGPJLPSLB-DOMZBBRYSA-N 1 0 370.287 3.452 20 10 FGCDRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(Br)cc1O ZINC000903391277 743843883 /nfs/dbraw/zinc/84/38/83/743843883.db2.gz XFPDKTJSFHSEBV-XHDPSFHLSA-N 1 0 356.260 3.143 20 10 FGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000903479234 743855340 /nfs/dbraw/zinc/85/53/40/743855340.db2.gz KKADTTGAVMUOAK-RYUDHWBXSA-N 1 0 350.260 3.325 20 10 FGCDRO C[C@H](NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000905528633 744029987 /nfs/dbraw/zinc/02/99/87/744029987.db2.gz GBYHFTVNCVMKCV-HNNXBMFYSA-N 1 0 374.579 3.225 20 10 FGCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3csc(C4CC4)n3)SC2=S)CC1 ZINC000920471599 758558142 /nfs/dbraw/zinc/55/81/42/758558142.db2.gz CZNOJGBMODTASR-MDWZMJQESA-N 1 0 365.549 3.316 20 10 FGCDRO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000921584813 758750347 /nfs/dbraw/zinc/75/03/47/758750347.db2.gz YWXNGLYLWSLFSQ-UHFFFAOYSA-N 1 0 362.905 3.124 20 10 FGCDRO FC(F)(F)[C@@H]1CC[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922680141 758977660 /nfs/dbraw/zinc/97/76/60/758977660.db2.gz TZLNSTWNABBRIS-SJORKVTESA-N 1 0 358.404 3.113 20 10 FGCDRO COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1O ZINC000922896724 759024571 /nfs/dbraw/zinc/02/45/71/759024571.db2.gz JKQQGVCHPWJMQS-WBMJQRKESA-N 1 0 370.287 3.458 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000925785627 759537510 /nfs/dbraw/zinc/53/75/10/759537510.db2.gz VCCAMOLJRWWJPK-RKDXNWHRSA-N 1 0 367.209 3.189 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1(Br)CC1 ZINC000926724382 759810530 /nfs/dbraw/zinc/81/05/30/759810530.db2.gz KAPXOVYCDBQOGL-CYBMUJFWSA-N 1 0 353.304 3.053 20 10 FGCDRO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000926910879 759845697 /nfs/dbraw/zinc/84/56/97/759845697.db2.gz WYYDEZPWYOFIJX-CYBMUJFWSA-N 1 0 351.443 3.218 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1ccc(Br)cc1O ZINC000927105576 759892444 /nfs/dbraw/zinc/89/24/44/759892444.db2.gz UCCKSOIXBDQRFX-DOMZBBRYSA-N 1 0 369.303 3.059 20 10 FGCDRO CC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000779006077 724380445 /nfs/dbraw/zinc/38/04/45/724380445.db2.gz MMYUFAVXOZDUDY-LLVKDONJSA-N 1 0 355.276 3.125 20 10 FGCDRO Cc1c[nH]c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000579551025 505573156 /nfs/dbraw/zinc/57/31/56/505573156.db2.gz HQPMDTCXISBJHL-UHFFFAOYSA-N 1 0 351.454 3.078 20 10 FGCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N3CCCCC3)cc1)CC2 ZINC000090395066 494461238 /nfs/dbraw/zinc/46/12/38/494461238.db2.gz RBCRKLGWBNELAN-FUHWJXTLSA-N 1 0 369.513 3.080 20 10 FGCDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090846486 494500072 /nfs/dbraw/zinc/50/00/72/494500072.db2.gz YLVGYPFDPFERCW-HNNXBMFYSA-N 1 0 374.504 3.371 20 10 FGCDRO CC1CCN(c2ccc(CNC(=O)N(C)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000108443863 494708459 /nfs/dbraw/zinc/70/84/59/494708459.db2.gz MGNPVTYJLQNPIU-UHFFFAOYSA-N 1 0 372.557 3.406 20 10 FGCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000131919201 494773909 /nfs/dbraw/zinc/77/39/09/494773909.db2.gz BGTCCTCJIORNCJ-UHFFFAOYSA-N 1 0 366.509 3.449 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000121773170 494856909 /nfs/dbraw/zinc/85/69/09/494856909.db2.gz FUWSHFFLPMMJQH-MRXNPFEDSA-N 1 0 352.438 3.213 20 10 FGCDRO CC(=O)Nc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000101726213 495093360 /nfs/dbraw/zinc/09/33/60/495093360.db2.gz MUENBGLJGGEUAK-UHFFFAOYSA-N 1 0 353.466 3.114 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124191108 495248560 /nfs/dbraw/zinc/24/85/60/495248560.db2.gz LVYVEYMMCOTSOH-INIZCTEOSA-N 1 0 370.497 3.488 20 10 FGCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176308406 495591313 /nfs/dbraw/zinc/59/13/13/495591313.db2.gz JACKXKZTYPVJET-MSOLQXFVSA-N 1 0 352.482 3.188 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000179483433 495609464 /nfs/dbraw/zinc/60/94/64/495609464.db2.gz DMVYXBVSAPDWQE-UHFFFAOYSA-N 1 0 354.450 3.139 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179780784 495732928 /nfs/dbraw/zinc/73/29/28/495732928.db2.gz SJJIDRFBSIGQCY-OAHLLOKOSA-N 1 0 352.438 3.213 20 10 FGCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000179986174 495811457 /nfs/dbraw/zinc/81/14/57/495811457.db2.gz QMMQVUJVCZGCBI-XLIONFOSSA-N 1 0 360.498 3.250 20 10 FGCDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(Br)ccc1O ZINC000186091313 495852104 /nfs/dbraw/zinc/85/21/04/495852104.db2.gz XWUIQFNKECJYFE-NSHDSACASA-N 1 0 355.276 3.112 20 10 FGCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174283981 495893815 /nfs/dbraw/zinc/89/38/15/495893815.db2.gz XBAOLLQHIABLNR-OAHLLOKOSA-N 1 0 362.495 3.110 20 10 FGCDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000155413957 495950257 /nfs/dbraw/zinc/95/02/57/495950257.db2.gz RRNQUFOYNRDQDN-INIZCTEOSA-N 1 0 353.466 3.332 20 10 FGCDRO Oc1ccccc1C[N@@H+](Cc1ccc(-n2ccnc2)nc1)C[C@@H]1CCCO1 ZINC000177153360 495950944 /nfs/dbraw/zinc/95/09/44/495950944.db2.gz RSLWXQOLNQOHEU-IBGZPJMESA-N 1 0 364.449 3.154 20 10 FGCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381328 495956668 /nfs/dbraw/zinc/95/66/68/495956668.db2.gz HXPZUZSXDALKTA-CQSZACIVSA-N 1 0 368.437 3.183 20 10 FGCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)cc1 ZINC000183404001 495967419 /nfs/dbraw/zinc/96/74/19/495967419.db2.gz HCAWJMZAGFFRJD-INIZCTEOSA-N 1 0 374.506 3.205 20 10 FGCDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183474029 495999241 /nfs/dbraw/zinc/99/92/41/495999241.db2.gz URHQXEGTQGDQCR-INIZCTEOSA-N 1 0 368.477 3.285 20 10 FGCDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180829915 496162204 /nfs/dbraw/zinc/16/22/04/496162204.db2.gz KYKDUGJKMJDOIZ-RQMBKDMJSA-N 1 0 366.461 3.092 20 10 FGCDRO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000152756147 496247788 /nfs/dbraw/zinc/24/77/88/496247788.db2.gz XFDCSFYFTFVQHP-INIZCTEOSA-N 1 0 372.488 3.088 20 10 FGCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C ZINC000181562771 496447827 /nfs/dbraw/zinc/44/78/27/496447827.db2.gz FLLQZVUGCBFYJN-RBUKOAKNSA-N 1 0 350.478 3.080 20 10 FGCDRO CC[C@H](C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[NH+](C)C ZINC000163775527 496556895 /nfs/dbraw/zinc/55/68/95/496556895.db2.gz WHGXEALGHKZICH-MRXNPFEDSA-N 1 0 373.419 3.010 20 10 FGCDRO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184983551 496610875 /nfs/dbraw/zinc/61/08/75/496610875.db2.gz VNMAWJHXQBUUKY-LBPRGKRZSA-N 1 0 360.329 3.376 20 10 FGCDRO Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158050411 496616540 /nfs/dbraw/zinc/61/65/40/496616540.db2.gz OTSRHQKYVPCWQK-SFHVURJKSA-N 1 0 373.884 3.072 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000185131743 496674579 /nfs/dbraw/zinc/67/45/79/496674579.db2.gz HTOZGTLCEYBKIN-VLIAUNLRSA-N 1 0 370.449 3.369 20 10 FGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c(O)c1 ZINC000185178838 496693790 /nfs/dbraw/zinc/69/37/90/496693790.db2.gz CSUNYVZGZJYWIZ-INIZCTEOSA-N 1 0 374.506 3.336 20 10 FGCDRO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000273288659 496765037 /nfs/dbraw/zinc/76/50/37/496765037.db2.gz RVXCQPDDPWYYEB-XMSQKQJNSA-N 1 0 354.494 3.168 20 10 FGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(Br)cc1O ZINC000273402652 496796155 /nfs/dbraw/zinc/79/61/55/496796155.db2.gz NQBCGQQYQOYHSO-NSHDSACASA-N 1 0 350.260 3.467 20 10 FGCDRO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866592 496809199 /nfs/dbraw/zinc/80/91/99/496809199.db2.gz CNYMURHXDDFIBG-MRXNPFEDSA-N 1 0 361.505 3.330 20 10 FGCDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000273603176 496851987 /nfs/dbraw/zinc/85/19/87/496851987.db2.gz SMHXSRPKTCCHHU-GWMXKSKGSA-N 1 0 355.276 3.253 20 10 FGCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273618380 496854805 /nfs/dbraw/zinc/85/48/05/496854805.db2.gz YHDNQVWKYZTOHO-SGTLLEGYSA-N 1 0 355.413 3.021 20 10 FGCDRO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2)ncn1 ZINC000248528840 497031637 /nfs/dbraw/zinc/03/16/37/497031637.db2.gz WIUWQDGQJCSOLC-GDBMZVCRSA-N 1 0 356.470 3.073 20 10 FGCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000265412918 497114691 /nfs/dbraw/zinc/11/46/91/497114691.db2.gz FRMDDDHTCAMFNE-UHFFFAOYSA-N 1 0 358.530 3.299 20 10 FGCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])c2)CC1 ZINC000192512960 497137348 /nfs/dbraw/zinc/13/73/48/497137348.db2.gz WSZZWVUPYZRQJC-UHFFFAOYSA-N 1 0 368.437 3.297 20 10 FGCDRO COc1c([O-])c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563370 497154727 /nfs/dbraw/zinc/15/47/27/497154727.db2.gz BOPVGCNNVGCRDU-AWEZNQCLSA-N 1 0 351.447 3.053 20 10 FGCDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC000236958281 497171839 /nfs/dbraw/zinc/17/18/39/497171839.db2.gz AUUWMGHKJKPDII-UHFFFAOYSA-N 1 0 354.450 3.185 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000237678722 497274786 /nfs/dbraw/zinc/27/47/86/497274786.db2.gz GZENOCGFZSBKJR-UWJYYQICSA-N 1 0 351.494 3.180 20 10 FGCDRO Cc1cc(C(=O)N2CCC(OCCC[NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC000237679434 497275100 /nfs/dbraw/zinc/27/51/00/497275100.db2.gz REKQGTJNFPEKSP-UHFFFAOYSA-N 1 0 373.472 3.203 20 10 FGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1 ZINC000279570027 497474890 /nfs/dbraw/zinc/47/48/90/497474890.db2.gz SSIRACLFZMUJTI-STQMWFEESA-N 1 0 353.426 3.301 20 10 FGCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(C(F)(F)F)c1 ZINC000279614540 497488348 /nfs/dbraw/zinc/48/83/48/497488348.db2.gz JLWUAYZDOIEXRL-UHFFFAOYSA-N 1 0 369.431 3.262 20 10 FGCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479755 497564320 /nfs/dbraw/zinc/56/43/20/497564320.db2.gz YZWYTGVRWIPOII-PXNSSMCTSA-N 1 0 367.493 3.444 20 10 FGCDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000245927064 497575389 /nfs/dbraw/zinc/57/53/89/497575389.db2.gz ZCGAHRQZCOFKTE-NBPAUJCUSA-N 1 0 360.473 3.271 20 10 FGCDRO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(C)cc1O ZINC000279942873 497596637 /nfs/dbraw/zinc/59/66/37/497596637.db2.gz BHMIYIPPEOLELY-KRWDZBQOSA-N 1 0 362.495 3.192 20 10 FGCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292070193 497866006 /nfs/dbraw/zinc/86/60/06/497866006.db2.gz KZWIWFDMJSFJKT-AWEZNQCLSA-N 1 0 355.276 3.035 20 10 FGCDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)CCO2 ZINC000364301910 497887541 /nfs/dbraw/zinc/88/75/41/497887541.db2.gz CDFYHQQFPLTUAV-MRXNPFEDSA-N 1 0 359.422 3.422 20 10 FGCDRO CN(C)c1ccc(C[NH2+]CCCOC2CCOCC2)c(C(F)(F)F)c1 ZINC000280816866 497909997 /nfs/dbraw/zinc/90/99/97/497909997.db2.gz IMPODNVCLRIJLK-UHFFFAOYSA-N 1 0 360.420 3.447 20 10 FGCDRO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cc(Br)ccc1O ZINC000280890543 497937357 /nfs/dbraw/zinc/93/73/57/497937357.db2.gz FBERNFBKVFUGGT-CJNGLKHVSA-N 1 0 369.303 3.454 20 10 FGCDRO CCOc1cccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000289373542 498124710 /nfs/dbraw/zinc/12/47/10/498124710.db2.gz BDBYDDUTPADTJJ-NRFANRHFSA-N 1 0 359.441 3.357 20 10 FGCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000364980820 498239056 /nfs/dbraw/zinc/23/90/56/498239056.db2.gz KEVUTERCEISZMY-OAHLLOKOSA-N 1 0 374.485 3.176 20 10 FGCDRO COc1ccc([C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N(C)C)cc1OC ZINC000296992933 498280149 /nfs/dbraw/zinc/28/01/49/498280149.db2.gz SKMFJEGGYHAHMR-IAGOWNOFSA-N 1 0 356.466 3.289 20 10 FGCDRO COc1ccc(N2CCC([N@H+](C)C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000360521049 498281077 /nfs/dbraw/zinc/28/10/77/498281077.db2.gz SCXAVWRZUXLBRN-NRFANRHFSA-N 1 0 358.457 3.469 20 10 FGCDRO C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1O ZINC000360717058 498301335 /nfs/dbraw/zinc/30/13/35/498301335.db2.gz VXSMUGZBOUEALE-CJNGLKHVSA-N 1 0 352.413 3.455 20 10 FGCDRO C[NH+](C)C1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)nc2)CC1 ZINC000297086111 498319027 /nfs/dbraw/zinc/31/90/27/498319027.db2.gz XAKZIESDLUBEOZ-SFHVURJKSA-N 1 0 352.482 3.417 20 10 FGCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290390873 498534374 /nfs/dbraw/zinc/53/43/74/498534374.db2.gz SHBGIKMALIRRQV-HNNXBMFYSA-N 1 0 356.507 3.290 20 10 FGCDRO O=S1(=O)CCC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000294287648 498645182 /nfs/dbraw/zinc/64/51/82/498645182.db2.gz MQQHLQLCGFJDTN-QUCCMNQESA-N 1 0 373.518 3.481 20 10 FGCDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2F)C[C@@H](C)O1 ZINC000298549946 498811108 /nfs/dbraw/zinc/81/11/08/498811108.db2.gz UOKQMAMIRDAJQA-HZPDHXFCSA-N 1 0 361.505 3.156 20 10 FGCDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000299089631 498961996 /nfs/dbraw/zinc/96/19/96/498961996.db2.gz XNRVPXYUZNTLME-UHFFFAOYSA-N 1 0 368.403 3.172 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000363859474 499028437 /nfs/dbraw/zinc/02/84/37/499028437.db2.gz SJWWOYVPOXVNOF-ZBFHGGJFSA-N 1 0 356.470 3.276 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1O ZINC000367956553 499249257 /nfs/dbraw/zinc/24/92/57/499249257.db2.gz CDKMZHWAHQTBAL-INIZCTEOSA-N 1 0 358.276 3.004 20 10 FGCDRO NC(=O)C[C@H]1CC[N@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000367983020 499251881 /nfs/dbraw/zinc/25/18/81/499251881.db2.gz MLVBUERKALCWJZ-XGBCSFPLSA-N 1 0 365.437 3.238 20 10 FGCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000371332534 499311410 /nfs/dbraw/zinc/31/14/10/499311410.db2.gz QHWUTXDIMHFRBD-NEPJUHHUSA-N 1 0 356.260 3.022 20 10 FGCDRO CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1O ZINC000371356758 499314543 /nfs/dbraw/zinc/31/45/43/499314543.db2.gz AHXZQBOYQCXAMV-UHFFFAOYSA-N 1 0 369.465 3.345 20 10 FGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000371397304 499321064 /nfs/dbraw/zinc/32/10/64/499321064.db2.gz ZYBCQFHEDDXRFL-CYBMUJFWSA-N 1 0 361.467 3.098 20 10 FGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000372393372 499428442 /nfs/dbraw/zinc/42/84/42/499428442.db2.gz RNGSCNBTXFPAOX-UHFFFAOYSA-N 1 0 355.438 3.037 20 10 FGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1cccc(N2CCOCC2)c1 ZINC000372417021 499432225 /nfs/dbraw/zinc/43/22/25/499432225.db2.gz NKNODLGDQGUZJE-QGZVFWFLSA-N 1 0 351.494 3.366 20 10 FGCDRO Cc1cccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1O ZINC000372971935 499445276 /nfs/dbraw/zinc/44/52/76/499445276.db2.gz FRIKKUOAQYYRLO-UHFFFAOYSA-N 1 0 350.260 3.497 20 10 FGCDRO CN1CCc2cc(C[NH2+]Cc3ccc(Cl)cc3-n3cncn3)ccc21 ZINC000373401620 499467715 /nfs/dbraw/zinc/46/77/15/499467715.db2.gz ZWNJUNFJRNLRKI-UHFFFAOYSA-N 1 0 353.857 3.203 20 10 FGCDRO COCCn1ncc2c1[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)CCC2 ZINC000375205702 499495458 /nfs/dbraw/zinc/49/54/58/499495458.db2.gz FFRIUQFHVVZLNE-HNNXBMFYSA-N 1 0 365.861 3.064 20 10 FGCDRO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000375877106 499564095 /nfs/dbraw/zinc/56/40/95/499564095.db2.gz WXDMSDIYXNHBEI-FUHWJXTLSA-N 1 0 354.498 3.072 20 10 FGCDRO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000376151836 499587086 /nfs/dbraw/zinc/58/70/86/499587086.db2.gz XATQOTRGJATPDS-VGSWGCGISA-N 1 0 352.478 3.488 20 10 FGCDRO CC[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(C)cc1O ZINC000376572475 499619689 /nfs/dbraw/zinc/61/96/89/499619689.db2.gz SRCHOIVFHJOGGU-ZWKOTPCHSA-N 1 0 354.450 3.381 20 10 FGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000376895202 499644361 /nfs/dbraw/zinc/64/43/61/499644361.db2.gz WAAAGDAKCBTSQO-HZPDHXFCSA-N 1 0 353.466 3.119 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CS[C@@H](C)C2)C1 ZINC000412614891 499869177 /nfs/dbraw/zinc/86/91/77/499869177.db2.gz QVQVXQLFZXFYAT-HOTGVXAUSA-N 1 0 371.550 3.418 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(F)(F)F)C1 ZINC000424952077 499974708 /nfs/dbraw/zinc/97/47/08/499974708.db2.gz UYHCYWFYYXXELH-CYBMUJFWSA-N 1 0 367.415 3.475 20 10 FGCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000444128222 500807195 /nfs/dbraw/zinc/80/71/95/500807195.db2.gz PYNKDHDXVDDIJJ-KRWDZBQOSA-N 1 0 369.509 3.045 20 10 FGCDRO CS[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000452555870 501522705 /nfs/dbraw/zinc/52/27/05/501522705.db2.gz ZEGZUMLZLLRADE-MRXNPFEDSA-N 1 0 371.550 3.372 20 10 FGCDRO COCCN(C)c1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cn1 ZINC000475195595 502096167 /nfs/dbraw/zinc/09/61/67/502096167.db2.gz XPUOSUWKQGYWBO-UHFFFAOYSA-N 1 0 352.482 3.254 20 10 FGCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000472226193 502277241 /nfs/dbraw/zinc/27/72/41/502277241.db2.gz VGYGCEYLAOPHTI-YJBOKZPZSA-N 1 0 356.514 3.358 20 10 FGCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[NH+]3CCCCC3)ccc21 ZINC000484694927 502711731 /nfs/dbraw/zinc/71/17/31/502711731.db2.gz KIIBJATUIANRBS-UHFFFAOYSA-N 1 0 357.498 3.120 20 10 FGCDRO COc1ccc(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)cn1 ZINC000527988928 504028489 /nfs/dbraw/zinc/02/84/89/504028489.db2.gz WDEFFNVIVMVZFD-NSHDSACASA-N 1 0 351.244 3.452 20 10 FGCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000779052503 724385126 /nfs/dbraw/zinc/38/51/26/724385126.db2.gz RESXHTKHXIZHQV-WBMJQRKESA-N 1 0 372.303 3.291 20 10 FGCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000736530991 598716119 /nfs/dbraw/zinc/71/61/19/598716119.db2.gz BBDINTPKQSUJDF-UHFFFAOYSA-N 1 0 368.460 3.484 20 10 FGCDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(N(C)C)cc1 ZINC000824296955 608533688 /nfs/dbraw/zinc/53/36/88/608533688.db2.gz MXDQEUHJQRWYBP-UHFFFAOYSA-N 1 0 356.499 3.405 20 10 FGCDRO