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(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067495 700222873 /nfs/dbraw/zinc/22/28/73/700222873.db2.gz MPQPSPHRNNPWPD-MOPGFXCFSA-N 0 3 363.571 3.317 20 10 FGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000090592537 700406119 /nfs/dbraw/zinc/40/61/19/700406119.db2.gz FTJRUEREJWOYPP-XJKSGUPXSA-N 0 3 357.420 3.347 20 10 FGCDHN CCN1CCC([N@H+](C)Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000125208972 700732397 /nfs/dbraw/zinc/73/23/97/700732397.db2.gz GIYLMBPEQZEKMA-UHFFFAOYSA-N 0 3 357.292 3.079 20 10 FGCDHN CCN1CCC([N@@H+](C)Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000125208972 700732399 /nfs/dbraw/zinc/73/23/99/700732399.db2.gz GIYLMBPEQZEKMA-UHFFFAOYSA-N 0 3 357.292 3.079 20 10 FGCDHN COc1ccc(O)c(CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000179883055 705719713 /nfs/dbraw/zinc/71/97/13/705719713.db2.gz CJGULJDAEMFEMW-HNNXBMFYSA-N 0 3 350.459 3.280 20 10 FGCDHN CCN(CC)c1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000182918679 705868922 /nfs/dbraw/zinc/86/89/22/705868922.db2.gz MHDVWTDPDLFZOD-SJLPKXTDSA-N 0 3 356.507 3.117 20 10 FGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186164758 712711116 /nfs/dbraw/zinc/71/11/16/712711116.db2.gz ZVBSVWCQVSGWAV-UKRRQHHQSA-N 0 3 351.443 3.434 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164847 724397210 /nfs/dbraw/zinc/39/72/10/724397210.db2.gz ZVTUAEIFJMNFJZ-KBPBESRZSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164847 724397213 /nfs/dbraw/zinc/39/72/13/724397213.db2.gz ZVTUAEIFJMNFJZ-KBPBESRZSA-N 0 3 350.459 3.136 20 10 FGCDHN C[C@H](CCn1cccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779339696 724408383 /nfs/dbraw/zinc/40/83/83/724408383.db2.gz FMOLYDYXNKBKOK-CRAIPNDOSA-N 0 3 362.905 3.275 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000781909808 724611097 /nfs/dbraw/zinc/61/10/97/724611097.db2.gz QUSXGYDDSZZBLL-CZUORRHYSA-N 0 3 353.304 3.379 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000781909808 724611099 /nfs/dbraw/zinc/61/10/99/724611099.db2.gz QUSXGYDDSZZBLL-CZUORRHYSA-N 0 3 353.304 3.379 20 10 FGCDHN Cc1cccc(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1O ZINC000781919590 724612609 /nfs/dbraw/zinc/61/26/09/724612609.db2.gz FVGLDVSHRHKPQX-GOSISDBHSA-N 0 3 360.479 3.107 20 10 FGCDHN CCOc1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c([O-])c1 ZINC000725849887 722424850 /nfs/dbraw/zinc/42/48/50/722424850.db2.gz ZOIUBXVPQFHLDJ-CYBMUJFWSA-N 0 3 364.467 3.013 20 10 FGCDHN COc1cccc(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1O ZINC000734844952 722510553 /nfs/dbraw/zinc/51/05/53/722510553.db2.gz GQWIARYWKVPXCT-KRWDZBQOSA-N 0 3 355.356 3.417 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2CCC(OC)CC2)c1[O-] ZINC000749922246 722747778 /nfs/dbraw/zinc/74/77/78/722747778.db2.gz BSAMWGGLIHWWFO-UHFFFAOYSA-N 0 3 358.276 3.458 20 10 FGCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000761432258 723153583 /nfs/dbraw/zinc/15/35/83/723153583.db2.gz KQCPLBUJVSHHDI-CZUORRHYSA-N 0 3 358.511 3.004 20 10 FGCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000790652598 723164314 /nfs/dbraw/zinc/16/43/14/723164314.db2.gz KYCLMDZUQLCDMV-CQSZACIVSA-N 0 3 363.479 3.435 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000763441942 723343553 /nfs/dbraw/zinc/34/35/53/723343553.db2.gz IILFVMYUIOBGLY-ZDUSSCGKSA-N 0 3 368.246 3.235 20 10 FGCDHN CS[C@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@@H]1N(C)C ZINC000765268538 723500101 /nfs/dbraw/zinc/50/01/01/723500101.db2.gz JUSZYRBWUIYMLQ-HOTGVXAUSA-N 0 3 363.552 3.273 20 10 FGCDHN CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c([O-])c1 ZINC000767427253 723618887 /nfs/dbraw/zinc/61/88/87/723618887.db2.gz XMSWMZSACMKKRT-INIZCTEOSA-N 0 3 366.255 3.377 20 10 FGCDHN CCOc1ccc(CN[C@@H](CO)c2ccc(Br)cc2)c(O)c1 ZINC000767427253 723618888 /nfs/dbraw/zinc/61/88/88/723618888.db2.gz XMSWMZSACMKKRT-INIZCTEOSA-N 0 3 366.255 3.377 20 10 FGCDHN CCC1(O)CCC([NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000771874142 723744160 /nfs/dbraw/zinc/74/41/60/723744160.db2.gz IYHMVILUUKHXCA-UHFFFAOYSA-N 0 3 358.276 3.337 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000797140933 723786139 /nfs/dbraw/zinc/78/61/39/723786139.db2.gz OSIYMDREVXLTRF-UPJWGTAASA-N 0 3 362.499 3.428 20 10 FGCDHN CCOc1cccc(CN2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775153371 723965395 /nfs/dbraw/zinc/96/53/95/723965395.db2.gz IHPVULZFTRZPGK-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1[O-] ZINC000775482804 723994679 /nfs/dbraw/zinc/99/46/79/723994679.db2.gz BKJMLIKAWMWMDI-ROUUACIJSA-N 0 3 359.539 3.483 20 10 FGCDHN C[C@@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000775832090 724068623 /nfs/dbraw/zinc/06/86/23/724068623.db2.gz XOHAKJKAAMKXTF-HIFRSBDPSA-N 0 3 357.420 3.204 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@]2(CO)CCc3ccccc32)c1[O-] ZINC000776252137 724124220 /nfs/dbraw/zinc/12/42/20/724124220.db2.gz OBHUJEDNEJJZQC-SFHVURJKSA-N 0 3 362.267 3.387 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)[C@@H](O)CO2 ZINC000800865018 724239627 /nfs/dbraw/zinc/23/96/27/724239627.db2.gz WRABIVJPRPWDEG-GOEBONIOSA-N 0 3 357.372 3.373 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)[C@@H](O)CO2 ZINC000800865018 724239631 /nfs/dbraw/zinc/23/96/31/724239631.db2.gz WRABIVJPRPWDEG-GOEBONIOSA-N 0 3 357.372 3.373 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785988834 724953417 /nfs/dbraw/zinc/95/34/17/724953417.db2.gz PDOKXGWWNAHMRC-MISXGVKJSA-N 0 3 358.276 3.145 20 10 FGCDHN COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000788622312 725076451 /nfs/dbraw/zinc/07/64/51/725076451.db2.gz AMWNIRNISMDBQM-CQDKDKBSSA-N 0 3 358.276 3.308 20 10 FGCDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788817214 725089564 /nfs/dbraw/zinc/08/95/64/725089564.db2.gz XWCMHBSHVSUIGR-CYBMUJFWSA-N 0 3 359.436 3.088 20 10 FGCDHN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808685511 725213437 /nfs/dbraw/zinc/21/34/37/725213437.db2.gz SMIRUAQRSOBDGV-CYBMUJFWSA-N 0 3 362.857 3.443 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC000814176853 726945120 /nfs/dbraw/zinc/94/51/20/726945120.db2.gz WEXLVDJXEQSAAU-BBRMVZONSA-N 0 3 350.434 3.363 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC000814176853 726945121 /nfs/dbraw/zinc/94/51/21/726945121.db2.gz WEXLVDJXEQSAAU-BBRMVZONSA-N 0 3 350.434 3.363 20 10 FGCDHN OC[C@H](NCc1cc(F)ccc1O)c1ccc(Br)c(F)c1 ZINC000814177939 726945177 /nfs/dbraw/zinc/94/51/77/726945177.db2.gz WBTKCZGZPYECQB-AWEZNQCLSA-N 0 3 358.182 3.256 20 10 FGCDHN CC[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000824636930 729352080 /nfs/dbraw/zinc/35/20/80/729352080.db2.gz VEJYBJXYJWFFDC-CJNGLKHVSA-N 0 3 357.401 3.079 20 10 FGCDHN COC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000825321515 729378683 /nfs/dbraw/zinc/37/86/83/729378683.db2.gz GDZPCVHTDXDEFK-GFCCVEGCSA-N 0 3 358.276 3.412 20 10 FGCDHN COC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000825321515 729378684 /nfs/dbraw/zinc/37/86/84/729378684.db2.gz GDZPCVHTDXDEFK-GFCCVEGCSA-N 0 3 358.276 3.412 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841087434 730209215 /nfs/dbraw/zinc/20/92/15/730209215.db2.gz NMTMPLFWHSLBOU-CJNGLKHVSA-N 0 3 353.304 3.427 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841763745 730271760 /nfs/dbraw/zinc/27/17/60/730271760.db2.gz AJIJKRWYZCVTOM-ZYHUDNBSSA-N 0 3 363.246 3.453 20 10 FGCDHN Fc1cc(CN2CCSC[C@@H]2C2CCC2)ccc1N1CCOCC1 ZINC000841894619 730283801 /nfs/dbraw/zinc/28/38/01/730283801.db2.gz ZZARCQXDFYLIJO-LJQANCHMSA-N 0 3 350.503 3.380 20 10 FGCDHN COc1cccc([C@@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846162068 730932932 /nfs/dbraw/zinc/93/29/32/730932932.db2.gz ADRWKPDIESAIEG-HUUCEWRRSA-N 0 3 363.479 3.222 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccnc2C)c1[O-] ZINC000848522238 731174559 /nfs/dbraw/zinc/17/45/59/731174559.db2.gz WJIMMZVZHSUILU-NSHDSACASA-N 0 3 368.275 3.409 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCCC2)c1[O-] ZINC000848519763 731174854 /nfs/dbraw/zinc/17/48/54/731174854.db2.gz UILQVCXHZIHLTC-GFCCVEGCSA-N 0 3 357.292 3.300 20 10 FGCDHN COc1cc(Br)cc([C@H](C)N[C@H](C)c2cnn(C)c2)c1O ZINC000848529178 731175947 /nfs/dbraw/zinc/17/59/47/731175947.db2.gz LADUFVOELQHBHH-ZJUUUORDSA-N 0 3 354.248 3.309 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1[O-] ZINC000848529178 731175949 /nfs/dbraw/zinc/17/59/49/731175949.db2.gz LADUFVOELQHBHH-ZJUUUORDSA-N 0 3 354.248 3.309 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000848531504 731176245 /nfs/dbraw/zinc/17/62/45/731176245.db2.gz PHQDZAQJGWRZKR-RYUDHWBXSA-N 0 3 357.292 3.156 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1[O-] ZINC000848534145 731176910 /nfs/dbraw/zinc/17/69/10/731176910.db2.gz YAPUYQKTHRQPMY-WCQYABFASA-N 0 3 374.275 3.010 20 10 FGCDHN Cn1c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cnc1Cl ZINC000848536761 731177639 /nfs/dbraw/zinc/17/76/39/731177639.db2.gz VBXKUEKTTOLNRI-CQSZACIVSA-N 0 3 369.296 3.187 20 10 FGCDHN COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])[C@H]1CCCO1 ZINC000848549011 731179884 /nfs/dbraw/zinc/17/98/84/731179884.db2.gz IXSJAASBOPMAND-LEWSCRJBSA-N 0 3 374.275 3.008 20 10 FGCDHN O=[S@@](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CC(F)(F)F ZINC000850347956 731345621 /nfs/dbraw/zinc/34/56/21/731345621.db2.gz BRTAFXYFZSRBAN-DEOSSOPVSA-N 0 3 357.397 3.460 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCc2cnccc2C)c1[O-] ZINC000850355068 731347426 /nfs/dbraw/zinc/34/74/26/731347426.db2.gz CRJVMINJJBRNDN-UHFFFAOYSA-N 0 3 351.244 3.199 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](OC)C2CCCC2)c1[O-] ZINC000850401092 731352647 /nfs/dbraw/zinc/35/26/47/731352647.db2.gz UOBCINLLBHNRNP-HNNXBMFYSA-N 0 3 358.276 3.458 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000850547170 731371628 /nfs/dbraw/zinc/37/16/28/731371628.db2.gz RSODGQXXBPYXDS-CUOATXAZSA-N 0 3 356.260 3.117 20 10 FGCDHN CCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000850553836 731372273 /nfs/dbraw/zinc/37/22/73/731372273.db2.gz DNOZLDQZYXQIPU-AAEUAGOBSA-N 0 3 357.292 3.298 20 10 FGCDHN O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cc([O-])cs1 ZINC000856169957 731990971 /nfs/dbraw/zinc/99/09/71/731990971.db2.gz WGPCSNQBZSZTRA-INIZCTEOSA-N 0 3 356.491 3.486 20 10 FGCDHN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc([O-])cs1 ZINC000856169957 731990973 /nfs/dbraw/zinc/99/09/73/731990973.db2.gz WGPCSNQBZSZTRA-INIZCTEOSA-N 0 3 356.491 3.486 20 10 FGCDHN CN1CCN(c2ccc(CNCc3ccnc(Cl)c3Cl)cc2)CC1 ZINC000883283911 737547132 /nfs/dbraw/zinc/54/71/32/737547132.db2.gz YJNKASBFPKDGBK-UHFFFAOYSA-N 0 3 365.308 3.430 20 10 FGCDHN Cc1csc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000884472773 737666289 /nfs/dbraw/zinc/66/62/89/737666289.db2.gz HURJBAMQGHOBDN-GUYCJALGSA-N 0 3 360.479 3.038 20 10 FGCDHN Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000884472773 737666293 /nfs/dbraw/zinc/66/62/93/737666293.db2.gz HURJBAMQGHOBDN-GUYCJALGSA-N 0 3 360.479 3.038 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1[O-] ZINC000903481350 743855870 /nfs/dbraw/zinc/85/58/70/743855870.db2.gz ZJNKLGQLKGLDNR-MWLCHTKSSA-N 0 3 354.223 3.156 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1[O-] ZINC000903481348 743856002 /nfs/dbraw/zinc/85/60/02/743856002.db2.gz ZJNKLGQLKGLDNR-GXSJLCMTSA-N 0 3 354.223 3.156 20 10 FGCDHN COc1cccc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000068980467 493902421 /nfs/dbraw/zinc/90/24/21/493902421.db2.gz LWUJSSKOFHQSLA-UHFFFAOYSA-N 0 3 359.813 3.437 20 10 FGCDHN Cc1ncsc1C(=O)NC1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000050924652 493938626 /nfs/dbraw/zinc/93/86/26/493938626.db2.gz JSZDVFADGDMFLM-UHFFFAOYSA-N 0 3 359.495 3.168 20 10 FGCDHN Cc1cc(C(=O)NC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)no1 ZINC000052084265 494004045 /nfs/dbraw/zinc/00/40/45/494004045.db2.gz TYUMIMZULGIUNN-UHFFFAOYSA-N 0 3 365.433 3.236 20 10 FGCDHN C[C@H](Sc1nccs1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000052914397 494075818 /nfs/dbraw/zinc/07/58/18/494075818.db2.gz OGTMMXDAYMGDQA-AWEZNQCLSA-N 0 3 361.536 3.405 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000093455069 494892791 /nfs/dbraw/zinc/89/27/91/494892791.db2.gz WXMLUMHUYYDMGD-HXUWFJFHSA-N 0 3 356.514 3.212 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]CCc1nc(-c3cccc(Cl)c3)no1)OCO2 ZINC000114772973 495423091 /nfs/dbraw/zinc/42/30/91/495423091.db2.gz CLOSUFLIBYXCFR-UHFFFAOYSA-N 0 3 373.796 3.157 20 10 FGCDHN C[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130883892 495460883 /nfs/dbraw/zinc/46/08/83/495460883.db2.gz RULRVAXMBWYJFE-AWEZNQCLSA-N 0 3 372.444 3.004 20 10 FGCDHN COc1ccc([O-])c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179766864 495726809 /nfs/dbraw/zinc/72/68/09/495726809.db2.gz QSYZMSONHJLSGY-UHFFFAOYSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179766864 495726814 /nfs/dbraw/zinc/72/68/14/495726814.db2.gz QSYZMSONHJLSGY-UHFFFAOYSA-N 0 3 350.459 3.232 20 10 FGCDHN Cc1cc(Cl)cc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882745 495769759 /nfs/dbraw/zinc/76/97/59/495769759.db2.gz RQQQHKOORUQETB-LBPRGKRZSA-N 0 3 368.886 3.194 20 10 FGCDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000183046185 495812190 /nfs/dbraw/zinc/81/21/90/495812190.db2.gz CPOBHEKORKIRPU-KGLIPLIRSA-N 0 3 350.413 3.341 20 10 FGCDHN COC[C@@H](Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151534445 495870251 /nfs/dbraw/zinc/87/02/51/495870251.db2.gz KGVATVRVKVZYLN-LJQANCHMSA-N 0 3 372.484 3.134 20 10 FGCDHN OCc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000174621699 496035884 /nfs/dbraw/zinc/03/58/84/496035884.db2.gz FWIQFHPUAJTUAB-ZDUSSCGKSA-N 0 3 352.381 3.132 20 10 FGCDHN Cc1cccc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1O ZINC000180820398 496158456 /nfs/dbraw/zinc/15/84/56/496158456.db2.gz TXGFDTNXDWWJTM-UHFFFAOYSA-N 0 3 362.495 3.019 20 10 FGCDHN Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1[O-] ZINC000180820398 496158459 /nfs/dbraw/zinc/15/84/59/496158459.db2.gz TXGFDTNXDWWJTM-UHFFFAOYSA-N 0 3 362.495 3.019 20 10 FGCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])CC2 ZINC000187146804 496313016 /nfs/dbraw/zinc/31/30/16/496313016.db2.gz QAJMOFWVDJIMQT-GWCFXTLKSA-N 0 3 365.275 3.029 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000184682190 496491146 /nfs/dbraw/zinc/49/11/46/496491146.db2.gz MEWXDDBBWOAWBM-UHFFFAOYSA-N 0 3 366.889 3.279 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000184852999 496558636 /nfs/dbraw/zinc/55/86/36/496558636.db2.gz NLURDOHGZWLBBV-WMLDXEAASA-N 0 3 362.495 3.186 20 10 FGCDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268757559 496776446 /nfs/dbraw/zinc/77/64/46/496776446.db2.gz MBEQCVBAJYVAGY-IRXDYDNUSA-N 0 3 350.528 3.152 20 10 FGCDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCc4c3cnn4C)cc2F)C[C@H](C)O1 ZINC000268782274 496783553 /nfs/dbraw/zinc/78/35/53/496783553.db2.gz DKGKCUSRIUPPAR-ZRGWGRIASA-N 0 3 372.488 3.340 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273585200 496846749 /nfs/dbraw/zinc/84/67/49/496846749.db2.gz NQATVXZZVYJDHG-OLZOCXBDSA-N 0 3 366.458 3.193 20 10 FGCDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000274742013 497155203 /nfs/dbraw/zinc/15/52/03/497155203.db2.gz AHXKCYLSXQUFBJ-KBXCAEBGSA-N 0 3 362.495 3.444 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccccc1[O-] ZINC000274892477 497192919 /nfs/dbraw/zinc/19/29/19/497192919.db2.gz JQARYDYIKNXQIG-FQEVSTJZSA-N 0 3 367.493 3.021 20 10 FGCDHN COc1c([O-])c(CNCc2cccc(C[N@H+](C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000278831451 497235975 /nfs/dbraw/zinc/23/59/75/497235975.db2.gz ITEHJKKDEMQJJB-UHFFFAOYSA-N 0 3 373.453 3.439 20 10 FGCDHN COc1c([O-])c(CNCc2cccc(C[N@@H+](C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000278831451 497235980 /nfs/dbraw/zinc/23/59/80/497235980.db2.gz ITEHJKKDEMQJJB-UHFFFAOYSA-N 0 3 373.453 3.439 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754751 497439765 /nfs/dbraw/zinc/43/97/65/497439765.db2.gz CPBOMBPOULOZPQ-XJKSGUPXSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754751 497439767 /nfs/dbraw/zinc/43/97/67/497439767.db2.gz CPBOMBPOULOZPQ-XJKSGUPXSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754751 497439772 /nfs/dbraw/zinc/43/97/72/497439772.db2.gz CPBOMBPOULOZPQ-XJKSGUPXSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754747 497439879 /nfs/dbraw/zinc/43/98/79/497439879.db2.gz CPBOMBPOULOZPQ-CJNGLKHVSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754747 497439884 /nfs/dbraw/zinc/43/98/84/497439884.db2.gz CPBOMBPOULOZPQ-CJNGLKHVSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754747 497439891 /nfs/dbraw/zinc/43/98/91/497439891.db2.gz CPBOMBPOULOZPQ-CJNGLKHVSA-N 0 3 350.459 3.136 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000277208089 497776674 /nfs/dbraw/zinc/77/66/74/497776674.db2.gz WIWMAPOALJPQFG-JTQLQIEISA-N 0 3 357.834 3.439 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000364259644 497866613 /nfs/dbraw/zinc/86/66/13/497866613.db2.gz HFJVFKLPHWIQDZ-SFHVURJKSA-N 0 3 358.438 3.357 20 10 FGCDHN O=C(Nc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1)[C@H]1CCCO1 ZINC000296192984 497951319 /nfs/dbraw/zinc/95/13/19/497951319.db2.gz YRJASTGONKIZSE-PKOBYXMFSA-N 0 3 352.434 3.287 20 10 FGCDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000281214501 498059172 /nfs/dbraw/zinc/05/91/72/498059172.db2.gz LDAJAMCTEPZQDZ-HXUWFJFHSA-N 0 3 356.441 3.448 20 10 FGCDHN CCN1CCC[C@@H](C[N@H+](C)Cc2cccc(OC)c2[O-])[C@@H]1c1cnn(C)c1 ZINC000364717806 498110708 /nfs/dbraw/zinc/11/07/08/498110708.db2.gz RGGGIHRVNMXNPD-OXJNMPFZSA-N 0 3 372.513 3.039 20 10 FGCDHN CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc(OC)c2[O-])[C@@H]1c1cnn(C)c1 ZINC000364717806 498110714 /nfs/dbraw/zinc/11/07/14/498110714.db2.gz RGGGIHRVNMXNPD-OXJNMPFZSA-N 0 3 372.513 3.039 20 10 FGCDHN COc1cc(O)c(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1OC ZINC000293796849 498492758 /nfs/dbraw/zinc/49/27/58/498492758.db2.gz CXYATPDNSQWKOH-FQEVSTJZSA-N 0 3 357.450 3.403 20 10 FGCDHN CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c([O-])c1 ZINC000293868123 498517215 /nfs/dbraw/zinc/51/72/15/498517215.db2.gz CJRLRTRWRGKKQV-DFNIBXOVSA-N 0 3 362.514 3.255 20 10 FGCDHN CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)c([O-])c1 ZINC000293868123 498517219 /nfs/dbraw/zinc/51/72/19/498517219.db2.gz CJRLRTRWRGKKQV-DFNIBXOVSA-N 0 3 362.514 3.255 20 10 FGCDHN Cc1nc(CN2CCC(C[NH2+][C@@H]3CCc4cccc([O-])c43)CC2)oc1C ZINC000297955404 498621722 /nfs/dbraw/zinc/62/17/22/498621722.db2.gz YYMWEBHWNPEPQV-GOSISDBHSA-N 0 3 355.482 3.486 20 10 FGCDHN COc1cccc(CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC000291064817 498779886 /nfs/dbraw/zinc/77/98/86/498779886.db2.gz QCGYNWNIHVXOOX-UHFFFAOYSA-N 0 3 362.470 3.376 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000370373331 499214209 /nfs/dbraw/zinc/21/42/09/499214209.db2.gz IPMORLPBEIHGHB-BEFAXECRSA-N 0 3 365.477 3.231 20 10 FGCDHN Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000371375951 499316804 /nfs/dbraw/zinc/31/68/04/499316804.db2.gz WQNCUUHBEMKUDL-QGZVFWFLSA-N 0 3 366.465 3.333 20 10 FGCDHN Cc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000371375951 499316805 /nfs/dbraw/zinc/31/68/05/499316805.db2.gz WQNCUUHBEMKUDL-QGZVFWFLSA-N 0 3 366.465 3.333 20 10 FGCDHN CCOc1ccc(O)c(CN2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000371383861 499318504 /nfs/dbraw/zinc/31/85/04/499318504.db2.gz PUZPOBNDOOMUEQ-UHFFFAOYSA-N 0 3 374.485 3.005 20 10 FGCDHN COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1[O-] ZINC000371421704 499324863 /nfs/dbraw/zinc/32/48/63/499324863.db2.gz ZGTLAPDLUSNZDU-UHFFFAOYSA-N 0 3 358.413 3.391 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1 ZINC000371870961 499373759 /nfs/dbraw/zinc/37/37/59/499373759.db2.gz VYKSGGXJWOUPEA-CYBMUJFWSA-N 0 3 358.438 3.258 20 10 FGCDHN COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1[O-] ZINC000372364230 499425229 /nfs/dbraw/zinc/42/52/29/499425229.db2.gz FQCSDIKALGKBAX-MUJYYYPQSA-N 0 3 362.470 3.421 20 10 FGCDHN COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1[O-] ZINC000372364230 499425230 /nfs/dbraw/zinc/42/52/30/499425230.db2.gz FQCSDIKALGKBAX-MUJYYYPQSA-N 0 3 362.470 3.421 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608682 499479621 /nfs/dbraw/zinc/47/96/21/499479621.db2.gz LKFBIHAXUZEYCX-OLZOCXBDSA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608682 499479622 /nfs/dbraw/zinc/47/96/22/499479622.db2.gz LKFBIHAXUZEYCX-OLZOCXBDSA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608682 499479623 /nfs/dbraw/zinc/47/96/23/499479623.db2.gz LKFBIHAXUZEYCX-OLZOCXBDSA-N 0 3 361.467 3.269 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000377626108 499712375 /nfs/dbraw/zinc/71/23/75/499712375.db2.gz MXJZIRJVTLSVOR-YQQAZPJKSA-N 0 3 362.449 3.079 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000377626108 499712376 /nfs/dbraw/zinc/71/23/76/499712376.db2.gz MXJZIRJVTLSVOR-YQQAZPJKSA-N 0 3 362.449 3.079 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000377691377 499720765 /nfs/dbraw/zinc/72/07/65/499720765.db2.gz DAGVYNLHLLVLDN-INIZCTEOSA-N 0 3 362.905 3.438 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000377691377 499720766 /nfs/dbraw/zinc/72/07/66/499720766.db2.gz DAGVYNLHLLVLDN-INIZCTEOSA-N 0 3 362.905 3.438 20 10 FGCDHN CCCC[C@@H](NCc1c(C)c2ccccc2n1C)C(=O)Nc1cc(C)on1 ZINC000481563913 501816364 /nfs/dbraw/zinc/81/63/64/501816364.db2.gz FJYROGHRDVZTSD-QGZVFWFLSA-N 0 3 368.481 3.492 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNCc1cnc(N2CCOCC2)s1 ZINC000475197534 502095398 /nfs/dbraw/zinc/09/53/98/502095398.db2.gz MNVGTVPTUDWMPP-UHFFFAOYSA-N 0 3 356.495 3.070 20 10 FGCDHN CCC[N@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1[O-] ZINC000069009971 695946392 /nfs/dbraw/zinc/94/63/92/695946392.db2.gz VXTKBCVERKYPHU-UHFFFAOYSA-N 0 3 362.495 3.055 20 10 FGCDHN CCC[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1[O-] ZINC000069009971 695946394 /nfs/dbraw/zinc/94/63/94/695946394.db2.gz VXTKBCVERKYPHU-UHFFFAOYSA-N 0 3 362.495 3.055 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCNc2cccc(C)n2)c1[O-] ZINC000133478872 700838371 /nfs/dbraw/zinc/83/83/71/700838371.db2.gz MZVXPPXTZHHCQC-UHFFFAOYSA-N 0 3 366.259 3.068 20 10 FGCDHN COc1cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000159918007 705238150 /nfs/dbraw/zinc/23/81/50/705238150.db2.gz COLJFNFIDORQQO-OAHLLOKOSA-N 0 3 350.459 3.198 20 10 FGCDHN CC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])NC(=O)OC(C)(C)C ZINC000302120567 713783064 /nfs/dbraw/zinc/78/30/64/713783064.db2.gz UKVMQNXVPDQCHZ-CYBMUJFWSA-N 0 3 358.866 3.447 20 10 FGCDHN COc1cc(Br)cc(CN[C@@H](CO)c2ccsc2)c1O ZINC000769933355 723701333 /nfs/dbraw/zinc/70/13/33/723701333.db2.gz KNGYNLLHYSVDQH-LBPRGKRZSA-N 0 3 358.257 3.048 20 10 FGCDHN O=C1[C@H]([N@H+](Cc2ccccc2[O-])C2CCCC2)CCN1CC(F)(F)F ZINC000732204546 722482387 /nfs/dbraw/zinc/48/23/87/722482387.db2.gz MNDSVDYZCGWKJB-OAHLLOKOSA-N 0 3 356.388 3.300 20 10 FGCDHN O=C1[C@H]([N@@H+](Cc2ccccc2[O-])C2CCCC2)CCN1CC(F)(F)F ZINC000732204546 722482388 /nfs/dbraw/zinc/48/23/88/722482388.db2.gz MNDSVDYZCGWKJB-OAHLLOKOSA-N 0 3 356.388 3.300 20 10 FGCDHN CC(C)(C)[S@@](=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084998 722512565 /nfs/dbraw/zinc/51/25/65/722512565.db2.gz GNYRTNFAGIZWSV-VWLOTQADSA-N 0 3 367.515 3.222 20 10 FGCDHN CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000750056298 722753139 /nfs/dbraw/zinc/75/31/39/722753139.db2.gz GSFLZBZRUXPLCM-KRWDZBQOSA-N 0 3 368.905 3.181 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1[O-] ZINC000767926715 723640256 /nfs/dbraw/zinc/64/02/56/723640256.db2.gz FOQQSOFXKVSQDT-CYBMUJFWSA-N 0 3 356.260 3.355 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769424054 723685283 /nfs/dbraw/zinc/68/52/83/723685283.db2.gz QOUKIMDLUWZQEA-UKRRQHHQSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769424054 723685285 /nfs/dbraw/zinc/68/52/85/723685285.db2.gz QOUKIMDLUWZQEA-UKRRQHHQSA-N 0 3 350.459 3.136 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c([O-])c1 ZINC000769514242 723688473 /nfs/dbraw/zinc/68/84/73/723688473.db2.gz HTOSDONXLWDWNH-CQSZACIVSA-N 0 3 360.420 3.497 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c([O-])c1 ZINC000769514242 723688474 /nfs/dbraw/zinc/68/84/74/723688474.db2.gz HTOSDONXLWDWNH-CQSZACIVSA-N 0 3 360.420 3.497 20 10 FGCDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000775634214 724013450 /nfs/dbraw/zinc/01/34/50/724013450.db2.gz PALYHGCWHKVVSZ-GFCCVEGCSA-N 0 3 356.260 3.238 20 10 FGCDHN C[C@@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775831451 724068758 /nfs/dbraw/zinc/06/87/58/724068758.db2.gz SFKGLZONNMRXPK-OAHLLOKOSA-N 0 3 359.901 3.416 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785988836 724953466 /nfs/dbraw/zinc/95/34/66/724953466.db2.gz PDOKXGWWNAHMRC-MJVIPROJSA-N 0 3 358.276 3.145 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000788528653 725070834 /nfs/dbraw/zinc/07/08/34/725070834.db2.gz FVDUKXPDWUJXNC-UHFFFAOYSA-N 0 3 370.287 3.196 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1[O-] ZINC000808675085 725212858 /nfs/dbraw/zinc/21/28/58/725212858.db2.gz VXWHSDRTWMTYLK-YJBOKZPZSA-N 0 3 353.938 3.277 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](CCN(C)C)CC(C)C)c1[O-] ZINC000809730049 725263249 /nfs/dbraw/zinc/26/32/49/725263249.db2.gz YBRCCUJHJQQJKE-UHFFFAOYSA-N 0 3 359.308 3.183 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](CCN(C)C)CC(C)C)c1[O-] ZINC000809730049 725263251 /nfs/dbraw/zinc/26/32/51/725263251.db2.gz YBRCCUJHJQQJKE-UHFFFAOYSA-N 0 3 359.308 3.183 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000809794374 725269224 /nfs/dbraw/zinc/26/92/24/725269224.db2.gz WPMQBXLAOMYXLB-OAQYLSRUSA-N 0 3 368.296 3.490 20 10 FGCDHN Cc1cnn([C@@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)c1 ZINC000811519564 725372298 /nfs/dbraw/zinc/37/22/98/725372298.db2.gz AVQKOKOAPMKIRL-OAHLLOKOSA-N 0 3 350.260 3.415 20 10 FGCDHN COc1cc(Br)cc(CN2CCOC[C@@H](C3CCC3)C2)c1O ZINC000814178445 726945504 /nfs/dbraw/zinc/94/55/04/726945504.db2.gz PZQGHYNRJYOYHW-AWEZNQCLSA-N 0 3 370.287 3.412 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1[O-] ZINC000817587116 727268653 /nfs/dbraw/zinc/26/86/53/727268653.db2.gz UXDDENATUKUOEW-AVGNSLFASA-N 0 3 369.303 3.405 20 10 FGCDHN CCn1cc([C@@H](C)NCc2cc(Br)cc(OC)c2O)cn1 ZINC000825130168 729372074 /nfs/dbraw/zinc/37/20/74/729372074.db2.gz OKUIMQNUGDMIPR-SNVBAGLBSA-N 0 3 354.248 3.231 20 10 FGCDHN Cc1cc([C@H](N)CC(=O)NCc2ccc(N(C)C)cc2C)cc(Cl)n1 ZINC000829764497 729509873 /nfs/dbraw/zinc/50/98/73/729509873.db2.gz NAYXVXXAMADSRO-QGZVFWFLSA-N 0 3 360.889 3.124 20 10 FGCDHN COCCOC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000834856794 729839238 /nfs/dbraw/zinc/83/92/38/729839238.db2.gz USKWLEWXTZSUIP-AWEZNQCLSA-N 0 3 357.878 3.217 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cccnc2)c1[O-] ZINC000848518921 731174185 /nfs/dbraw/zinc/17/41/85/731174185.db2.gz OHAJOEOFZKQGHQ-NSHDSACASA-N 0 3 351.244 3.452 20 10 FGCDHN CCc1nc([C@@H](C)N[C@@H](C)c2cc(Br)cc(OC)c2O)n[nH]1 ZINC000848534994 731177151 /nfs/dbraw/zinc/17/71/51/731177151.db2.gz AALQVUZAPFFKLU-DTWKUNHWSA-N 0 3 369.263 3.256 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000848548173 731179327 /nfs/dbraw/zinc/17/93/27/731179327.db2.gz AWNYUIYNEJWJQM-MFKMUULPSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)c1[O-] ZINC000848550484 731179696 /nfs/dbraw/zinc/17/96/96/731179696.db2.gz NZDZZGMHIRFLRM-WOPDTQHZSA-N 0 3 358.276 3.487 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2nccnc2C)c1[O-] ZINC000848552062 731180159 /nfs/dbraw/zinc/18/01/59/731180159.db2.gz ZLJXLSCOIJKFAL-JTQLQIEISA-N 0 3 366.259 3.155 20 10 FGCDHN COc1ccc(NC(=[NH2+])NCc2cc(Br)ccc2[O-])cc1 ZINC000849052124 731224271 /nfs/dbraw/zinc/22/42/71/731224271.db2.gz QBEFMVDQFPHMHR-UHFFFAOYSA-N 0 3 350.216 3.300 20 10 FGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850435012 731357092 /nfs/dbraw/zinc/35/70/92/731357092.db2.gz FWQIFHBICNGKBK-SJORKVTESA-N 0 3 350.890 3.311 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2CCC(O)CC2)c1[O-] ZINC000850553158 731372373 /nfs/dbraw/zinc/37/23/73/731372373.db2.gz SUYFEIJLBHLFQS-ZBOXLXRLSA-N 0 3 358.276 3.365 20 10 FGCDHN CCCC[N@H+](CCn1cnc(Br)n1)Cc1ccccc1[O-] ZINC000852017811 731533455 /nfs/dbraw/zinc/53/34/55/731533455.db2.gz GQBWIKLZFDLQDY-UHFFFAOYSA-N 0 3 353.264 3.049 20 10 FGCDHN CCCC[N@@H+](CCn1cnc(Br)n1)Cc1ccccc1[O-] ZINC000852017811 731533456 /nfs/dbraw/zinc/53/34/56/731533456.db2.gz GQBWIKLZFDLQDY-UHFFFAOYSA-N 0 3 353.264 3.049 20 10 FGCDHN COC(=O)NC1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000853626269 731733707 /nfs/dbraw/zinc/73/37/07/731733707.db2.gz RILAUEJXSOYPKS-UHFFFAOYSA-N 0 3 350.459 3.019 20 10 FGCDHN COc1cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(O)c(C(C)(C)C)c1 ZINC000862526817 732843497 /nfs/dbraw/zinc/84/34/97/732843497.db2.gz FBMBNBPLXFYOSH-JRLRZGBRSA-N 0 3 351.512 3.184 20 10 FGCDHN CCC[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1[O-] ZINC000876655098 736127661 /nfs/dbraw/zinc/12/76/61/736127661.db2.gz WETOHENKNJVBHI-UHFFFAOYSA-N 0 3 368.886 3.105 20 10 FGCDHN CCC[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1[O-] ZINC000876655098 736127663 /nfs/dbraw/zinc/12/76/63/736127663.db2.gz WETOHENKNJVBHI-UHFFFAOYSA-N 0 3 368.886 3.105 20 10 FGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000877034028 736178288 /nfs/dbraw/zinc/17/82/88/736178288.db2.gz WCOVPACTTMBSJF-AOCRQIFASA-N 0 3 360.889 3.200 20 10 FGCDHN Fc1cc(CNC[C@H]2CC2(Cl)Cl)cc(F)c1N1CCOCC1 ZINC000877582161 736688308 /nfs/dbraw/zinc/68/83/08/736688308.db2.gz LELOSFUDVSBLGI-LLVKDONJSA-N 0 3 351.224 3.085 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@@H]1CCCOC1 ZINC000883353186 737556723 /nfs/dbraw/zinc/55/67/23/737556723.db2.gz PZDSKIQCJRVQET-BXUZGUMPSA-N 0 3 358.276 3.458 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C2CCC3(COC3)CC2)c1[O-] ZINC000883391918 737562111 /nfs/dbraw/zinc/56/21/11/737562111.db2.gz VSMZOPGMQAYUQM-UHFFFAOYSA-N 0 3 356.260 3.212 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)N(C)C)cc1 ZINC000891248323 739886158 /nfs/dbraw/zinc/88/61/58/739886158.db2.gz KOVBECRLTQZSGQ-YOEHRIQHSA-N 0 3 353.457 3.297 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1[O-] ZINC000779031614 724383286 /nfs/dbraw/zinc/38/32/86/724383286.db2.gz KLSCPXXAQPGNHJ-ZBOXLXRLSA-N 0 3 355.276 3.158 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000779052502 724384610 /nfs/dbraw/zinc/38/46/10/724384610.db2.gz RESXHTKHXIZHQV-MLGOLLRUSA-N 0 3 372.303 3.291 20 10 FGCDHN CCN(Cc1ccccc1)c1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000044862804 494384798 /nfs/dbraw/zinc/38/47/98/494384798.db2.gz FEHFHEBGSRGENJ-HXUWFJFHSA-N 0 3 372.534 3.237 20 10 FGCDHN COc1cccc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1O ZINC000093009512 494807231 /nfs/dbraw/zinc/80/72/31/494807231.db2.gz VALBSTLXJGJCGW-UHFFFAOYSA-N 0 3 358.438 3.005 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OCCO)c(OC)c2)cc1 ZINC000127651982 494976734 /nfs/dbraw/zinc/97/67/34/494976734.db2.gz NGHBCIUJTQYGDK-INIZCTEOSA-N 0 3 358.482 3.373 20 10 FGCDHN C[C@H](NC[C@H](O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154596366 495666592 /nfs/dbraw/zinc/66/65/92/495666592.db2.gz MGITVXLSIGCASM-UGSOOPFHSA-N 0 3 350.459 3.108 20 10 FGCDHN C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000186126768 495865804 /nfs/dbraw/zinc/86/58/04/495865804.db2.gz UFHASMNEOJYTKJ-FMEYXAORSA-N 0 3 352.906 3.464 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1[O-] ZINC000186276380 495925012 /nfs/dbraw/zinc/92/50/12/495925012.db2.gz SNYHSWDPUDOGDA-MOPGFXCFSA-N 0 3 354.450 3.243 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1OC ZINC000160299852 495930862 /nfs/dbraw/zinc/93/08/62/495930862.db2.gz GDUVMVGBPPPQAY-KRWDZBQOSA-N 0 3 357.450 3.448 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1OC ZINC000160299852 495930866 /nfs/dbraw/zinc/93/08/66/495930866.db2.gz GDUVMVGBPPPQAY-KRWDZBQOSA-N 0 3 357.450 3.448 20 10 FGCDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000187307643 496386269 /nfs/dbraw/zinc/38/62/69/496386269.db2.gz FYONBAULTKPBQZ-DGCLKSJQSA-N 0 3 355.276 3.125 20 10 FGCDHN C[C@H](NC[C@](C)(O)c1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157024390 496388527 /nfs/dbraw/zinc/38/85/27/496388527.db2.gz JSWMEGGZKIBZIG-LIRRHRJNSA-N 0 3 364.486 3.282 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000184707944 496501336 /nfs/dbraw/zinc/50/13/36/496501336.db2.gz QSKAHUOBEQKRCW-HNNXBMFYSA-N 0 3 360.841 3.229 20 10 FGCDHN COc1cc([O-])c(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1OC ZINC000184789784 496533593 /nfs/dbraw/zinc/53/35/93/496533593.db2.gz LYHHRAAASFPDPO-GOSISDBHSA-N 0 3 357.450 3.183 20 10 FGCDHN COc1cc([O-])c(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1OC ZINC000184789784 496533598 /nfs/dbraw/zinc/53/35/98/496533598.db2.gz LYHHRAAASFPDPO-GOSISDBHSA-N 0 3 357.450 3.183 20 10 FGCDHN C[C@H](NCc1cccnc1N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184986410 496611555 /nfs/dbraw/zinc/61/15/55/496611555.db2.gz DLKSCERTVPEOFC-INIZCTEOSA-N 0 3 367.493 3.353 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109169 496664119 /nfs/dbraw/zinc/66/41/19/496664119.db2.gz CVGKKRMRHAALCJ-LSDHHAIUSA-N 0 3 362.495 3.363 20 10 FGCDHN C[C@@H]1CN(c2ccc(CN[C@H]3CCCc4c3cnn4C)cc2F)C[C@H](C)O1 ZINC000268782269 496784065 /nfs/dbraw/zinc/78/40/65/496784065.db2.gz DKGKCUSRIUPPAR-KHYOSLBOSA-N 0 3 372.488 3.340 20 10 FGCDHN Cc1ccc(O)c(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191685339 496854479 /nfs/dbraw/zinc/85/44/79/496854479.db2.gz HQZQQJMAMWHGAY-UHFFFAOYSA-N 0 3 372.416 3.283 20 10 FGCDHN CCOCc1cc(CNCc2ccc(Cn3cncn3)cc2)ccc1OC ZINC000264548636 496926838 /nfs/dbraw/zinc/92/68/38/496926838.db2.gz YKTRATVXBKARHX-UHFFFAOYSA-N 0 3 366.465 3.161 20 10 FGCDHN OC[C@H](C[C@H](O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000269918923 497024854 /nfs/dbraw/zinc/02/48/54/497024854.db2.gz KELJIHISZXUKQO-UNMCSNQZSA-N 0 3 354.494 3.251 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270209507 497077945 /nfs/dbraw/zinc/07/79/45/497077945.db2.gz ZXFKBWNJOYAKRX-ICSRJNTNSA-N 0 3 366.465 3.459 20 10 FGCDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1cccc(OC)c1 ZINC000236825665 497152216 /nfs/dbraw/zinc/15/22/16/497152216.db2.gz DAZIYMSTQMJJIU-FQEVSTJZSA-N 0 3 355.482 3.019 20 10 FGCDHN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1cc2c(cc1O)CCCC2 ZINC000274811102 497172055 /nfs/dbraw/zinc/17/20/55/497172055.db2.gz UZVUTDQMYMULAC-MRXNPFEDSA-N 0 3 367.493 3.353 20 10 FGCDHN COc1c([O-])c(C[NH+]2CCC(Oc3ccncc3C)CC2)ccc1[N+](=O)[O-] ZINC000278637946 497176172 /nfs/dbraw/zinc/17/61/72/497176172.db2.gz ISTZDGSDSAITSW-UHFFFAOYSA-N 0 3 373.409 3.056 20 10 FGCDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000192726685 497196628 /nfs/dbraw/zinc/19/66/28/497196628.db2.gz ZISCSMPBWSQGON-OAHLLOKOSA-N 0 3 361.511 3.031 20 10 FGCDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C ZINC000192910412 497243799 /nfs/dbraw/zinc/24/37/99/497243799.db2.gz YFRMZHVWCCSUFA-KBPBESRZSA-N 0 3 350.413 3.341 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H](O)c1c(F)cccc1F ZINC000271876008 497477068 /nfs/dbraw/zinc/47/70/68/497477068.db2.gz ZEUDYFKATNMYIQ-LIRRHRJNSA-N 0 3 367.392 3.289 20 10 FGCDHN C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000276211736 497521757 /nfs/dbraw/zinc/52/17/57/497521757.db2.gz KUZMBWCWZMVKFU-CYBMUJFWSA-N 0 3 364.383 3.091 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000245749816 497527767 /nfs/dbraw/zinc/52/77/67/497527767.db2.gz NNFINZFPVUGZKE-FZMZJTMJSA-N 0 3 356.260 3.164 20 10 FGCDHN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1=CCN(C)CC1 ZINC000272744198 497718618 /nfs/dbraw/zinc/71/86/18/497718618.db2.gz DDTQYHGWNJNMKU-SFHVURJKSA-N 0 3 370.541 3.469 20 10 FGCDHN Fc1cc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)ccc1N1CCOCC1 ZINC000292079479 497869665 /nfs/dbraw/zinc/86/96/65/497869665.db2.gz HZSQTGPZDGZQBL-LJQANCHMSA-N 0 3 373.476 3.192 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1OC ZINC000285222242 498025531 /nfs/dbraw/zinc/02/55/31/498025531.db2.gz UYFUAIGMKBBMEB-GUDVDZBRSA-N 0 3 369.461 3.414 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1OC ZINC000285222242 498025536 /nfs/dbraw/zinc/02/55/36/498025536.db2.gz UYFUAIGMKBBMEB-GUDVDZBRSA-N 0 3 369.461 3.414 20 10 FGCDHN COc1ccc(N2CCN(CCCNc3ccncc3Cl)CC2)cc1 ZINC000301511500 498140964 /nfs/dbraw/zinc/14/09/64/498140964.db2.gz FJPMHRDKAYZOAX-UHFFFAOYSA-N 0 3 360.889 3.368 20 10 FGCDHN COc1cc([O-])c(C[NH+]2CCC(c3ccccc3CO)CC2)cc1OC ZINC000364790966 498144790 /nfs/dbraw/zinc/14/47/90/498144790.db2.gz OBEWEYPWUSACMN-UHFFFAOYSA-N 0 3 357.450 3.281 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230303 498331798 /nfs/dbraw/zinc/33/17/98/498331798.db2.gz STXSGDXCRZXKIR-AZUAARDMSA-N 0 3 358.457 3.339 20 10 FGCDHN COc1cc(Cl)cc(CN[C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293650394 498442261 /nfs/dbraw/zinc/44/22/61/498442261.db2.gz MZLVDYOSZQOLDB-QGZVFWFLSA-N 0 3 350.846 3.299 20 10 FGCDHN CCCN(CCC)c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000290154223 498444880 /nfs/dbraw/zinc/44/48/80/498444880.db2.gz PGMQTWQOUBOADX-SFHVURJKSA-N 0 3 352.544 3.227 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000293685643 498452533 /nfs/dbraw/zinc/45/25/33/498452533.db2.gz KQTNBOCKOZSXSW-OAHLLOKOSA-N 0 3 362.495 3.110 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3cc(OC)ccc3[O-])CC2)c1 ZINC000294734874 498789107 /nfs/dbraw/zinc/78/91/07/498789107.db2.gz GPVCPTCHRFNMLX-CQSZACIVSA-N 0 3 373.453 3.172 20 10 FGCDHN OC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCC1(F)F ZINC000291348204 498905668 /nfs/dbraw/zinc/90/56/68/498905668.db2.gz WXWWIZGFMSQTJX-QGZVFWFLSA-N 0 3 363.404 3.421 20 10 FGCDHN COc1cc(O)c(CNCc2cc(C)nc(N3CCCC3)c2)cc1OC ZINC000291500784 498965787 /nfs/dbraw/zinc/96/57/87/498965787.db2.gz HKPFYDAYKSGVTB-UHFFFAOYSA-N 0 3 357.454 3.003 20 10 FGCDHN CC(C)(O)c1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000295427895 499015058 /nfs/dbraw/zinc/01/50/58/499015058.db2.gz NXNOINFSYLWROM-UHFFFAOYSA-N 0 3 368.521 3.413 20 10 FGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000295773890 499098888 /nfs/dbraw/zinc/09/88/88/499098888.db2.gz AMDFGYILWWYAIS-SFHVURJKSA-N 0 3 356.441 3.270 20 10 FGCDHN COCc1nccc([C@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000367419121 499196678 /nfs/dbraw/zinc/19/66/78/499196678.db2.gz OAWKKETWRMIXMM-INIZCTEOSA-N 0 3 358.461 3.208 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(Cl)c1[O-] ZINC000367909417 499244302 /nfs/dbraw/zinc/24/43/02/499244302.db2.gz GNIQWLKENYBRIJ-KDOFPFPSSA-N 0 3 351.922 3.255 20 10 FGCDHN CC(=O)NC1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000368579708 499309553 /nfs/dbraw/zinc/30/95/53/499309553.db2.gz UBWOKKVNWYXNLG-UHFFFAOYSA-N 0 3 363.505 3.350 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000371360431 499315237 /nfs/dbraw/zinc/31/52/37/499315237.db2.gz GPYJTRKPOOFILG-UHFFFAOYSA-N 0 3 353.514 3.450 20 10 FGCDHN O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000373221266 499458322 /nfs/dbraw/zinc/45/83/22/499458322.db2.gz QXIQORJNLGKPCN-UHFFFAOYSA-N 0 3 352.394 3.487 20 10 FGCDHN COc1ccc([O-])c(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373487103 499472701 /nfs/dbraw/zinc/47/27/01/499472701.db2.gz UVXWZOWCPMKUML-UHFFFAOYSA-N 0 3 358.404 3.296 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000375648947 499541245 /nfs/dbraw/zinc/54/12/45/499541245.db2.gz NLXMJYQRNXYVJM-YJBOKZPZSA-N 0 3 353.466 3.119 20 10 FGCDHN CCCC[C@H](NCc1c(C)c2ccccc2n1C)C(=O)Nc1cc(C)on1 ZINC000481563912 501816493 /nfs/dbraw/zinc/81/64/93/501816493.db2.gz FJYROGHRDVZTSD-KRWDZBQOSA-N 0 3 368.481 3.492 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000472223371 502275809 /nfs/dbraw/zinc/27/58/09/502275809.db2.gz PKHLRRCRQLSMIO-UHFFFAOYSA-N 0 3 354.498 3.257 20 10 FGCDHN CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825395164 608285880 /nfs/dbraw/zinc/28/58/80/608285880.db2.gz LUMHJBYTSOWBKM-AWEZNQCLSA-N 0 3 366.469 3.182 20 10 FGCDHN CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825395164 608285882 /nfs/dbraw/zinc/28/58/82/608285882.db2.gz LUMHJBYTSOWBKM-AWEZNQCLSA-N 0 3 366.469 3.182 20 10 FGCDHN CCN(CC)c1ccc(CN2CCCN(c3nc(C)ns3)CC2)cc1 ZINC000093717187 700453581 /nfs/dbraw/zinc/45/35/81/700453581.db2.gz NBGIHACNMFFZOC-UHFFFAOYSA-N 0 3 359.543 3.405 20 10 FGCDHN CCCn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000116917777 700597843 /nfs/dbraw/zinc/59/78/43/700597843.db2.gz SEUGFGUSRSHEBV-GOSISDBHSA-N 0 3 362.905 3.406 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc3ccccc3s2)c1 ZINC000182380237 705838182 /nfs/dbraw/zinc/83/81/82/705838182.db2.gz BHVUSCYPQICVPV-LLVKDONJSA-N 0 3 357.435 3.300 20 10 FGCDHN C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000185855963 712703455 /nfs/dbraw/zinc/70/34/55/712703455.db2.gz HKCUOAINOSWBNT-JQWIXIFHSA-N 0 3 350.340 3.266 20 10 FGCDHN COCCN(CC[NH2+][C@@H](C)c1ccc(C)cc1[O-])C(=O)OC(C)(C)C ZINC000385496623 713983810 /nfs/dbraw/zinc/98/38/10/713983810.db2.gz UZTCAQSGXXTTOO-HNNXBMFYSA-N 0 3 352.475 3.235 20 10 FGCDHN COc1cccc(CNCC(=O)Nc2cc(Cl)ccc2Cl)c1O ZINC000732228606 722482808 /nfs/dbraw/zinc/48/28/08/722482808.db2.gz QXZOVDZUHUTSET-UHFFFAOYSA-N 0 3 355.221 3.436 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000734159570 722504803 /nfs/dbraw/zinc/50/48/03/722504803.db2.gz QNTAERQICVGYFB-UHFFFAOYSA-N 0 3 359.813 3.437 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756633227 722967978 /nfs/dbraw/zinc/96/79/78/722967978.db2.gz GMLLHKABJHUHQF-WBMJQRKESA-N 0 3 363.454 3.414 20 10 FGCDHN CCOc1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c([O-])c1 ZINC000760702432 723083683 /nfs/dbraw/zinc/08/36/83/723083683.db2.gz WICJAXGSSFXWQE-UHFFFAOYSA-N 0 3 356.344 3.373 20 10 FGCDHN C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000794826556 723547905 /nfs/dbraw/zinc/54/79/05/723547905.db2.gz CJUDXMJUUYMREO-VFZGTOFNSA-N 0 3 367.218 3.171 20 10 FGCDHN COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000795687203 723605843 /nfs/dbraw/zinc/60/58/43/723605843.db2.gz JQUUOGUYONRUSB-QGZVFWFLSA-N 0 3 353.340 3.473 20 10 FGCDHN COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000795687203 723605844 /nfs/dbraw/zinc/60/58/44/723605844.db2.gz JQUUOGUYONRUSB-QGZVFWFLSA-N 0 3 353.340 3.473 20 10 FGCDHN CCCN(CCC)c1ccc(CN[C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000796491068 723639952 /nfs/dbraw/zinc/63/99/52/723639952.db2.gz PCUHYENYLNWLAQ-MRXNPFEDSA-N 0 3 352.544 3.368 20 10 FGCDHN Cc1ccc([C@@H]2CSCCN2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768445834 723658023 /nfs/dbraw/zinc/65/80/23/723658023.db2.gz JSTKHUCORZYGCV-HKUYNNGSSA-N 0 3 357.475 3.417 20 10 FGCDHN CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1[O-])OC[C@H]3O)CCC2 ZINC000768463773 723658461 /nfs/dbraw/zinc/65/84/61/723658461.db2.gz WWNCPDRSLGZRSK-GDBMZVCRSA-N 0 3 360.479 3.346 20 10 FGCDHN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1[O-])OC[C@H]3O)CCC2 ZINC000768463773 723658462 /nfs/dbraw/zinc/65/84/62/723658462.db2.gz WWNCPDRSLGZRSK-GDBMZVCRSA-N 0 3 360.479 3.346 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c([O-])c1 ZINC000769514240 723688456 /nfs/dbraw/zinc/68/84/56/723688456.db2.gz HTOSDONXLWDWNH-AWEZNQCLSA-N 0 3 360.420 3.497 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c([O-])c1 ZINC000769514240 723688458 /nfs/dbraw/zinc/68/84/58/723688458.db2.gz HTOSDONXLWDWNH-AWEZNQCLSA-N 0 3 360.420 3.497 20 10 FGCDHN CN1CCN(c2ccc(CNC3(c4nccs4)CCCC3)cc2)CC1 ZINC000771843091 723743395 /nfs/dbraw/zinc/74/33/95/723743395.db2.gz QVTDYQLZENWYPA-UHFFFAOYSA-N 0 3 356.539 3.454 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2cccc(C)c2O)s1 ZINC000776079555 724107557 /nfs/dbraw/zinc/10/75/57/724107557.db2.gz BBWJXKRXHTYKJS-UHFFFAOYSA-N 0 3 368.524 3.082 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000776253598 724123981 /nfs/dbraw/zinc/12/39/81/724123981.db2.gz SPUWRTUATMDQBV-SFHVURJKSA-N 0 3 362.267 3.387 20 10 FGCDHN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC000786579304 724989836 /nfs/dbraw/zinc/98/98/36/724989836.db2.gz OQBQHWUMXZPIBL-KRWDZBQOSA-N 0 3 364.283 3.465 20 10 FGCDHN C[C@@H]1C[C@H](NCc2ccc(S(C)(=O)=O)s2)c2c1c(F)ccc2O ZINC000786964626 725010394 /nfs/dbraw/zinc/01/03/94/725010394.db2.gz ZJHJYYSXWUVFTG-SKDRFNHKSA-N 0 3 355.456 3.334 20 10 FGCDHN COCCOCC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000808237467 725189155 /nfs/dbraw/zinc/18/91/55/725189155.db2.gz RWIIQOFGOOAYTN-UHFFFAOYSA-N 0 3 368.271 3.403 20 10 FGCDHN COCCOCC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000808237467 725189156 /nfs/dbraw/zinc/18/91/56/725189156.db2.gz RWIIQOFGOOAYTN-UHFFFAOYSA-N 0 3 368.271 3.403 20 10 FGCDHN CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706571 725214365 /nfs/dbraw/zinc/21/43/65/725214365.db2.gz NICREHNTRIVILG-FZMZJTMJSA-N 0 3 360.907 3.146 20 10 FGCDHN CCCCNC(=O)OC[C@H]1CCCCN1Cc1cccc(OC)c1O ZINC000809691170 725258947 /nfs/dbraw/zinc/25/89/47/725258947.db2.gz IXFPLQILRFWGRZ-MRXNPFEDSA-N 0 3 350.459 3.282 20 10 FGCDHN CCOc1cccc(CN2CCCC[C@H]2COC(=O)NC(C)C)c1O ZINC000809720746 725262527 /nfs/dbraw/zinc/26/25/27/725262527.db2.gz MBIRVFSPQDRHTJ-INIZCTEOSA-N 0 3 350.459 3.280 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000816624874 727181995 /nfs/dbraw/zinc/18/19/95/727181995.db2.gz JYGYKIKTEHUONZ-QGZVFWFLSA-N 0 3 364.283 3.499 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000816624874 727181998 /nfs/dbraw/zinc/18/19/98/727181998.db2.gz JYGYKIKTEHUONZ-QGZVFWFLSA-N 0 3 364.283 3.499 20 10 FGCDHN COc1cc(O)c(CNCC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000822489547 729180923 /nfs/dbraw/zinc/18/09/23/729180923.db2.gz DYGDKRFSXFZWOC-UHFFFAOYSA-N 0 3 364.829 3.100 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000824203640 729324024 /nfs/dbraw/zinc/32/40/24/729324024.db2.gz WUXDPDAOWZQSDZ-SFHVURJKSA-N 0 3 353.495 3.423 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824501920 729343621 /nfs/dbraw/zinc/34/36/21/729343621.db2.gz VLVIIBWBJFZVGZ-INIZCTEOSA-N 0 3 368.246 3.295 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]Cc2c(C3CC3)cnn2C)c1[O-] ZINC000827252231 729427626 /nfs/dbraw/zinc/42/76/26/729427626.db2.gz ZLJUWXIGDVKKOH-UHFFFAOYSA-N 0 3 350.260 3.364 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1[O-] ZINC000827594390 729432112 /nfs/dbraw/zinc/43/21/12/729432112.db2.gz FZKKRGUYQWWSGJ-QGZVFWFLSA-N 0 3 372.303 3.120 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000827686948 729433386 /nfs/dbraw/zinc/43/33/86/729433386.db2.gz ICCUHJDDFLIYFL-ZDUSSCGKSA-N 0 3 369.303 3.200 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1[O-] ZINC000827686948 729433387 /nfs/dbraw/zinc/43/33/87/729433387.db2.gz ICCUHJDDFLIYFL-ZDUSSCGKSA-N 0 3 369.303 3.200 20 10 FGCDHN CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(C)cc1[O-] ZINC000834840575 729838314 /nfs/dbraw/zinc/83/83/14/729838314.db2.gz KSIORQXJILXXKX-OAHLLOKOSA-N 0 3 365.271 3.366 20 10 FGCDHN CSc1ccc([C@@H](CNC(=O)NCc2ccccc2O)N(C)C)cc1 ZINC000838062312 730088025 /nfs/dbraw/zinc/08/80/25/730088025.db2.gz SFUPJZSAAKZOMF-QGZVFWFLSA-N 0 3 359.495 3.216 20 10 FGCDHN Nc1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000841297353 730231192 /nfs/dbraw/zinc/23/11/92/730231192.db2.gz PETLPAIBDVKABR-UHFFFAOYSA-N 0 3 356.392 3.196 20 10 FGCDHN CCN(CC)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccsc1 ZINC000841693495 730264976 /nfs/dbraw/zinc/26/49/76/730264976.db2.gz QETAKVYGGOFVEI-GOSISDBHSA-N 0 3 360.527 3.255 20 10 FGCDHN FC1(F)C(F)(F)C12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000846013735 730918518 /nfs/dbraw/zinc/91/85/18/730918518.db2.gz AKRDFACAJAYQCU-UHFFFAOYSA-N 0 3 358.379 3.390 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC2(CO)CCC2)c1[O-] ZINC000848555429 731181095 /nfs/dbraw/zinc/18/10/95/731181095.db2.gz ASSAZGXDHYOOMS-LLVKDONJSA-N 0 3 358.276 3.367 20 10 FGCDHN CCN(CC)c1ccc(CNCC[S@](=O)CC(F)(F)F)cc1F ZINC000850348046 731345751 /nfs/dbraw/zinc/34/57/51/731345751.db2.gz DDYCEVIMAGISFS-QHCPKHFHSA-N 0 3 354.413 3.073 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)c1[O-] ZINC000850547173 731371723 /nfs/dbraw/zinc/37/17/23/731371723.db2.gz RSODGQXXBPYXDS-FZZIBODNSA-N 0 3 356.260 3.117 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cncc(C)n2)c1[O-] ZINC000850550714 731372032 /nfs/dbraw/zinc/37/20/32/731372032.db2.gz PPVPIPSEXCPFQN-NSHDSACASA-N 0 3 366.259 3.155 20 10 FGCDHN CNC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000854233059 731807179 /nfs/dbraw/zinc/80/71/79/731807179.db2.gz WBDGEFUVDXQPSK-YUMQZZPRSA-N 0 3 366.097 3.176 20 10 FGCDHN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)n1 ZINC000897043438 742635439 /nfs/dbraw/zinc/63/54/39/742635439.db2.gz LKMJOFQDDYWHSL-GXFFZTMASA-N 0 3 351.834 3.426 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)c1[O-] ZINC000903439605 743852002 /nfs/dbraw/zinc/85/20/02/743852002.db2.gz GGXPUAXTIHNOFI-QCZZGDTMSA-N 0 3 356.260 3.239 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c([O-])c1 ZINC000903477856 743854269 /nfs/dbraw/zinc/85/42/69/743854269.db2.gz DCNJLPVTEBKIBJ-NWDGAFQWSA-N 0 3 350.260 3.325 20 10 FGCDHN O=C(c1ccsc1)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000917488287 758227781 /nfs/dbraw/zinc/22/77/81/758227781.db2.gz OTOQYZZLLBMJNR-UHFFFAOYSA-N 0 3 356.491 3.291 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cc(C)n(C)n2)c1[O-] ZINC000926912047 759847162 /nfs/dbraw/zinc/84/71/62/759847162.db2.gz VIRJUWVDLBFYKU-NSHDSACASA-N 0 3 368.275 3.099 20 10 FGCDHN COC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779014168 724380820 /nfs/dbraw/zinc/38/08/20/724380820.db2.gz WFJMDHDGSMHWMJ-NSHDSACASA-N 0 3 371.275 3.345 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000045817010 494467192 /nfs/dbraw/zinc/46/71/92/494467192.db2.gz OPYMAXCMSICVHA-UHFFFAOYSA-N 0 3 353.466 3.198 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000111405525 495071167 /nfs/dbraw/zinc/07/11/67/495071167.db2.gz GKLUXIUWUCZZEY-UHFFFAOYSA-N 0 3 354.450 3.203 20 10 FGCDHN COc1cccc(CC(=O)N2CCC([NH2+]Cc3cc(C)ccc3[O-])CC2)c1 ZINC000113331435 495298092 /nfs/dbraw/zinc/29/80/92/495298092.db2.gz SLHZTSZHKDBFHM-UHFFFAOYSA-N 0 3 368.477 3.033 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCN(C)C[C@@H]3C)cc2)CC1 ZINC000120547493 495402881 /nfs/dbraw/zinc/40/28/81/495402881.db2.gz UUADOMZFMSWTOP-RXVVDRJESA-N 0 3 372.557 3.405 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000158606647 495548832 /nfs/dbraw/zinc/54/88/32/495548832.db2.gz ADEYETBORYTHHA-CABCVRRESA-N 0 3 363.479 3.222 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000179899140 495775732 /nfs/dbraw/zinc/77/57/32/495775732.db2.gz YKZLJCCLSOJDSD-UHFFFAOYSA-N 0 3 374.506 3.033 20 10 FGCDHN Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c([O-])c1O ZINC000182988582 495787069 /nfs/dbraw/zinc/78/70/69/495787069.db2.gz UOVSNRRVVJORPW-UHFFFAOYSA-N 0 3 369.465 3.189 20 10 FGCDHN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186021847 495825131 /nfs/dbraw/zinc/82/51/31/495825131.db2.gz SSJJSURTVQHIFF-ABAIWWIYSA-N 0 3 356.388 3.085 20 10 FGCDHN CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000155280068 495902822 /nfs/dbraw/zinc/90/28/22/495902822.db2.gz ZRVIODPRUSDFCI-INIZCTEOSA-N 0 3 371.319 3.042 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000184852979 496558654 /nfs/dbraw/zinc/55/86/54/496558654.db2.gz NLURDOHGZWLBBV-PBHICJAKSA-N 0 3 362.495 3.186 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904080 496578774 /nfs/dbraw/zinc/57/87/74/496578774.db2.gz HTNAPOWDIDQJLR-OXQOHEQNSA-N 0 3 356.466 3.125 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904080 496578776 /nfs/dbraw/zinc/57/87/76/496578776.db2.gz HTNAPOWDIDQJLR-OXQOHEQNSA-N 0 3 356.466 3.125 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c1 ZINC000185090570 496655863 /nfs/dbraw/zinc/65/58/63/496655863.db2.gz LUVBSFPNZHUVEC-HNNXBMFYSA-N 0 3 354.450 3.374 20 10 FGCDHN CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(C)c3[O-])CC2)cc1 ZINC000182125478 496678401 /nfs/dbraw/zinc/67/84/01/496678401.db2.gz TVYCNKGTSHLILW-UHFFFAOYSA-N 0 3 368.477 3.494 20 10 FGCDHN Cc1ccc([C@@H](C)NCc2cccnc2N2CCN(C)CC2)c(O)c1C ZINC000273432271 496804827 /nfs/dbraw/zinc/80/48/27/496804827.db2.gz WCNOLXTYFBMZFD-QGZVFWFLSA-N 0 3 354.498 3.007 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000277978877 496958557 /nfs/dbraw/zinc/95/85/57/496958557.db2.gz TVUFMBSECKQYBK-ZFWWWQNUSA-N 0 3 350.459 3.136 20 10 FGCDHN Cc1ccc([C@H](C)NCc2cnc(N3CCOCC3)c(F)c2)c(O)c1C ZINC000274331104 497072302 /nfs/dbraw/zinc/07/23/02/497072302.db2.gz ZYCIRWHIAXCKNE-HNNXBMFYSA-N 0 3 359.445 3.231 20 10 FGCDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1 ZINC000236895334 497164695 /nfs/dbraw/zinc/16/46/95/497164695.db2.gz SEDVQRZJABKMRL-HXUWFJFHSA-N 0 3 351.494 3.182 20 10 FGCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000274974704 497209119 /nfs/dbraw/zinc/20/91/19/497209119.db2.gz DTDIPDRLCONRBF-ZDUSSCGKSA-N 0 3 352.356 3.046 20 10 FGCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000274974704 497209122 /nfs/dbraw/zinc/20/91/22/497209122.db2.gz DTDIPDRLCONRBF-ZDUSSCGKSA-N 0 3 352.356 3.046 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000271876004 497476867 /nfs/dbraw/zinc/47/68/67/497476867.db2.gz ZEUDYFKATNMYIQ-IFXJQAMLSA-N 0 3 367.392 3.289 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(C)cc1[O-] ZINC000279964042 497603931 /nfs/dbraw/zinc/60/39/31/497603931.db2.gz CNHBILIBKPWPFI-IBGZPJMESA-N 0 3 356.466 3.409 20 10 FGCDHN CCN1CCN(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263731614 497811633 /nfs/dbraw/zinc/81/16/33/497811633.db2.gz YJZFUOCXOGGQMI-UHFFFAOYSA-N 0 3 353.510 3.176 20 10 FGCDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280921922 497951648 /nfs/dbraw/zinc/95/16/48/497951648.db2.gz HKEXXPBYLOMJPG-OAHLLOKOSA-N 0 3 368.518 3.434 20 10 FGCDHN COC(=O)c1csc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000286227359 498331195 /nfs/dbraw/zinc/33/11/95/498331195.db2.gz SRQZYOVJGSMHKE-AWEZNQCLSA-N 0 3 360.479 3.222 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccncc2OC[C@H]2CCOC2)c1 ZINC000287425231 498751043 /nfs/dbraw/zinc/75/10/43/498751043.db2.gz SMVOAXUCVKZPFC-CABCVRRESA-N 0 3 358.438 3.062 20 10 FGCDHN CCOc1cccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1[O-] ZINC000283082592 498773873 /nfs/dbraw/zinc/77/38/73/498773873.db2.gz VSTQZZSJWCLRGN-KRWDZBQOSA-N 0 3 355.438 3.187 20 10 FGCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)N(C)C ZINC000298603538 498827060 /nfs/dbraw/zinc/82/70/60/498827060.db2.gz OZNIZDXETWDXDZ-DGIAWOHRSA-N 0 3 353.426 3.107 20 10 FGCDHN O=C(c1ccco1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000363457251 498830789 /nfs/dbraw/zinc/83/07/89/498830789.db2.gz RLTYGTREKRXHOO-UHFFFAOYSA-N 0 3 350.418 3.487 20 10 FGCDHN O=C(c1ccco1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000363457251 498830792 /nfs/dbraw/zinc/83/07/92/498830792.db2.gz RLTYGTREKRXHOO-UHFFFAOYSA-N 0 3 350.418 3.487 20 10 FGCDHN O[C@H](c1ncc[nH]1)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000366277970 498854635 /nfs/dbraw/zinc/85/46/35/498854635.db2.gz DAJDKIZRFXXZKE-FQEVSTJZSA-N 0 3 354.498 3.346 20 10 FGCDHN COC1CCN(c2ccc(CN3CCC[C@@H](c4nc(C)no4)C3)cc2)CC1 ZINC000295471457 499027863 /nfs/dbraw/zinc/02/78/63/499027863.db2.gz IRQNBZQNECTYNX-GOSISDBHSA-N 0 3 370.497 3.373 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(N3C(=O)CCCC3=O)CC2)cc1 ZINC000372463634 499130341 /nfs/dbraw/zinc/13/03/41/499130341.db2.gz JGTZZGHGMHSPKS-UHFFFAOYSA-N 0 3 357.498 3.036 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1[O-] ZINC000367226533 499164885 /nfs/dbraw/zinc/16/48/85/499164885.db2.gz MLAFPFSRYBEYOM-INIZCTEOSA-N 0 3 355.438 3.037 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1[O-] ZINC000367226533 499164887 /nfs/dbraw/zinc/16/48/87/499164887.db2.gz MLAFPFSRYBEYOM-INIZCTEOSA-N 0 3 355.438 3.037 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323143 499181183 /nfs/dbraw/zinc/18/11/83/499181183.db2.gz ZNWYBBAAVXRTIO-CVEARBPZSA-N 0 3 356.470 3.161 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323143 499181184 /nfs/dbraw/zinc/18/11/84/499181184.db2.gz ZNWYBBAAVXRTIO-CVEARBPZSA-N 0 3 356.470 3.161 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c1[O-] ZINC000367418268 499196659 /nfs/dbraw/zinc/19/66/59/499196659.db2.gz GSJUQYXRAVTQKT-OAHLLOKOSA-N 0 3 357.454 3.107 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c1[O-] ZINC000367418268 499196660 /nfs/dbraw/zinc/19/66/60/499196660.db2.gz GSJUQYXRAVTQKT-OAHLLOKOSA-N 0 3 357.454 3.107 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000368175181 499271430 /nfs/dbraw/zinc/27/14/30/499271430.db2.gz UYACYFCKGQQCAD-SIKLNZKXSA-N 0 3 369.461 3.399 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCCC23CCOCC3)c1[O-] ZINC000371390359 499319499 /nfs/dbraw/zinc/31/94/99/499319499.db2.gz WAGRZLYPIQFCFC-UHFFFAOYSA-N 0 3 356.260 3.308 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCCC23CCOCC3)c1[O-] ZINC000371390359 499319500 /nfs/dbraw/zinc/31/95/00/499319500.db2.gz WAGRZLYPIQFCFC-UHFFFAOYSA-N 0 3 356.260 3.308 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799044 499333784 /nfs/dbraw/zinc/33/37/84/499333784.db2.gz UMZYBYHUBKCAPX-JKSUJKDBSA-N 0 3 366.465 3.459 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799044 499333786 /nfs/dbraw/zinc/33/37/86/499333786.db2.gz UMZYBYHUBKCAPX-JKSUJKDBSA-N 0 3 366.465 3.459 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000372945730 499444170 /nfs/dbraw/zinc/44/41/70/499444170.db2.gz MJJYLKYUBGQIGQ-CYBMUJFWSA-N 0 3 355.862 3.072 20 10 FGCDHN COCc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)c3cc(OC)ccc3[O-])C2)n1 ZINC000373609420 499479811 /nfs/dbraw/zinc/47/98/11/499479811.db2.gz NZXIYBUFECDJRM-LSDHHAIUSA-N 0 3 357.454 3.278 20 10 FGCDHN COCc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3cc(OC)ccc3[O-])C2)n1 ZINC000373609420 499479812 /nfs/dbraw/zinc/47/98/12/499479812.db2.gz NZXIYBUFECDJRM-LSDHHAIUSA-N 0 3 357.454 3.278 20 10 FGCDHN Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([O-])c1O ZINC000378573203 499533065 /nfs/dbraw/zinc/53/30/65/499533065.db2.gz RAMUQPFRXAZIMP-VQIMIIECSA-N 0 3 368.477 3.389 20 10 FGCDHN Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c([O-])c1O ZINC000378573203 499533066 /nfs/dbraw/zinc/53/30/66/499533066.db2.gz RAMUQPFRXAZIMP-VQIMIIECSA-N 0 3 368.477 3.389 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(c3noc(C(F)F)n3)CC2)c1 ZINC000376042818 499578087 /nfs/dbraw/zinc/57/80/87/499578087.db2.gz FUGVIBPKTHHZJT-UHFFFAOYSA-N 0 3 353.369 3.491 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@@H]3CCCN3C)ccc21 ZINC000421708243 500124780 /nfs/dbraw/zinc/12/47/80/500124780.db2.gz ZTWNSDVBAQZMQF-SFHVURJKSA-N 0 3 357.498 3.071 20 10 FGCDHN CCOCc1cc(CN[C@@]2(COC)COc3ccccc3C2)ccc1OC ZINC000527797574 503948769 /nfs/dbraw/zinc/94/87/69/503948769.db2.gz DTBPXGBVJWIJMP-QFIPXVFZSA-N 0 3 371.477 3.342 20 10 FGCDHN COCCC1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000529638251 504749977 /nfs/dbraw/zinc/74/99/77/504749977.db2.gz NTCYKCQJKKRHPN-UHFFFAOYSA-N 0 3 358.276 3.412 20 10 FGCDHN C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824590212 609335877 /nfs/dbraw/zinc/33/58/77/609335877.db2.gz AIMNEOKCNRMJGX-SNVBAGLBSA-N 0 3 364.475 3.295 20 10 FGCDHN C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824590212 609335879 /nfs/dbraw/zinc/33/58/79/609335879.db2.gz AIMNEOKCNRMJGX-SNVBAGLBSA-N 0 3 364.475 3.295 20 10 FGCDHN COC(=O)CN(CCCCn1ccnc1C)Cc1cc(Cl)ccc1O ZINC000128409012 700774610 /nfs/dbraw/zinc/77/46/10/700774610.db2.gz PJNDETKSHONTBD-UHFFFAOYSA-N 0 3 365.861 3.006 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)c1[O-] ZINC000130375894 700800682 /nfs/dbraw/zinc/80/06/82/700800682.db2.gz JCAJMVMWBQJGFL-ZWNOBZJWSA-N 0 3 370.243 3.358 20 10 FGCDHN COc1cc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160364943 705251442 /nfs/dbraw/zinc/25/14/42/705251442.db2.gz FEHNFUMGBAUOTK-HNNXBMFYSA-N 0 3 350.459 3.150 20 10 FGCDHN COc1cc(C)cc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000164193505 705325935 /nfs/dbraw/zinc/32/59/35/705325935.db2.gz RGBGLUTZNJDAQI-UHFFFAOYSA-N 0 3 350.459 3.152 20 10 FGCDHN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184854674 712677393 /nfs/dbraw/zinc/67/73/93/712677393.db2.gz GTSCJGKWGMAHLU-XJKSGUPXSA-N 0 3 350.459 3.317 20 10 FGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186164740 712711022 /nfs/dbraw/zinc/71/10/22/712711022.db2.gz ZVBSVWCQVSGWAV-HIFRSBDPSA-N 0 3 351.443 3.434 20 10 FGCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1CCCO1 ZINC000189661889 712799160 /nfs/dbraw/zinc/79/91/60/712799160.db2.gz UWRNDYPJONWYGX-AWEZNQCLSA-N 0 3 365.367 3.290 20 10 FGCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1CCCO1 ZINC000189661889 712799163 /nfs/dbraw/zinc/79/91/63/712799163.db2.gz UWRNDYPJONWYGX-AWEZNQCLSA-N 0 3 365.367 3.290 20 10 FGCDHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1c1cccc(C(F)(F)F)c1 ZINC000749925002 722748023 /nfs/dbraw/zinc/74/80/23/722748023.db2.gz ULVUWDQVNXQVAD-CQSZACIVSA-N 0 3 350.340 3.306 20 10 FGCDHN COC[C@H]1CCCC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768542661 723661013 /nfs/dbraw/zinc/66/10/13/723661013.db2.gz YQVGPAVHAQRHSY-LBPRGKRZSA-N 0 3 358.276 3.412 20 10 FGCDHN COC[C@H]1CCCC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768542661 723661014 /nfs/dbraw/zinc/66/10/14/723661014.db2.gz YQVGPAVHAQRHSY-LBPRGKRZSA-N 0 3 358.276 3.412 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000701889582 722410500 /nfs/dbraw/zinc/41/05/00/722410500.db2.gz FKWMTJYBABIVAQ-LLVKDONJSA-N 0 3 358.866 3.399 20 10 FGCDHN COc1ccc(C[NH+]2CCC(CNC(=O)c3cc([O-])cs3)CC2)cc1 ZINC000732278691 722483426 /nfs/dbraw/zinc/48/34/26/722483426.db2.gz SDIXYIPPQIYGTC-UHFFFAOYSA-N 0 3 360.479 3.104 20 10 FGCDHN COC(=O)C[C@H]1CSCCN1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000740854953 722538408 /nfs/dbraw/zinc/53/84/08/722538408.db2.gz KZTFCYPDVWDXHP-HNNXBMFYSA-N 0 3 351.512 3.479 20 10 FGCDHN CCOc1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)c([O-])c1 ZINC000746754081 722617068 /nfs/dbraw/zinc/61/70/68/722617068.db2.gz JZTCTEWSTVPBTE-UHFFFAOYSA-N 0 3 356.344 3.373 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1[O-] ZINC000758560493 722991756 /nfs/dbraw/zinc/99/17/56/722991756.db2.gz LUBXSDYQUMCCCX-CYBMUJFWSA-N 0 3 364.239 3.126 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000761191849 723131532 /nfs/dbraw/zinc/13/15/32/723131532.db2.gz XYGBPLMMKAOGHC-UHFFFAOYSA-N 0 3 354.878 3.038 20 10 FGCDHN C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000762652752 723267836 /nfs/dbraw/zinc/26/78/36/723267836.db2.gz XZTSYJYANBMDRX-ZIAGYGMSSA-N 0 3 371.319 3.306 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000794807154 723546897 /nfs/dbraw/zinc/54/68/97/723546897.db2.gz KNQJGQMUJXXYHT-ACJLOTCBSA-N 0 3 351.393 3.459 20 10 FGCDHN O=S1(=O)CCC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768652177 723664326 /nfs/dbraw/zinc/66/43/26/723664326.db2.gz UMNXTJLZCITTLF-UHFFFAOYSA-N 0 3 359.491 3.364 20 10 FGCDHN CCN(C)c1ccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000773843058 723829479 /nfs/dbraw/zinc/82/94/79/723829479.db2.gz ZEDQXOPRXRCGHK-HNNXBMFYSA-N 0 3 361.511 3.365 20 10 FGCDHN CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216347 725297294 /nfs/dbraw/zinc/29/72/94/725297294.db2.gz HYPYGOQOBNUEJV-CZUORRHYSA-N 0 3 359.436 3.088 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1[O-] ZINC000815148313 727045774 /nfs/dbraw/zinc/04/57/74/727045774.db2.gz RNOMAOZEXXHKSG-INIZCTEOSA-N 0 3 358.276 3.194 20 10 FGCDHN CCCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1=O ZINC000817589869 727268985 /nfs/dbraw/zinc/26/89/85/727268985.db2.gz QORODCSUUQZFMD-STQMWFEESA-N 0 3 369.303 3.372 20 10 FGCDHN CS(=O)(=O)CCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000818350557 727308755 /nfs/dbraw/zinc/30/87/55/727308755.db2.gz LKTSAAVGYGELMU-IBGZPJMESA-N 0 3 361.507 3.481 20 10 FGCDHN CC[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000824636934 729352089 /nfs/dbraw/zinc/35/20/89/729352089.db2.gz VEJYBJXYJWFFDC-XJKSGUPXSA-N 0 3 357.401 3.079 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000825133314 729372236 /nfs/dbraw/zinc/37/22/36/729372236.db2.gz DAIGBNHPSNLAGR-CYBMUJFWSA-N 0 3 368.246 3.235 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c2c1c(F)ccc2[O-] ZINC000834828367 729837509 /nfs/dbraw/zinc/83/75/09/729837509.db2.gz SILHSHKJPXYLRV-LALPHHSUSA-N 0 3 361.438 3.240 20 10 FGCDHN [NH3+][C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1c1cccc(F)c1 ZINC000841104439 730211739 /nfs/dbraw/zinc/21/17/39/730211739.db2.gz QQTQRWSVDWELDO-JKSUJKDBSA-N 0 3 365.246 3.221 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)c1[O-] ZINC000848524843 731175225 /nfs/dbraw/zinc/17/52/25/731175225.db2.gz IIKARXXKHCQYFQ-SECBINFHSA-N 0 3 368.275 3.364 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)c1[O-] ZINC000848533656 731176717 /nfs/dbraw/zinc/17/67/17/731176717.db2.gz TUQUJTYKZNFQDP-MDZLAQPJSA-N 0 3 374.275 3.008 20 10 FGCDHN CCc1cccc(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000848895633 731218251 /nfs/dbraw/zinc/21/82/51/731218251.db2.gz UUHKJEOUNXBZMY-CQSZACIVSA-N 0 3 362.495 3.056 20 10 FGCDHN O=S(=O)(CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CC(F)(F)F ZINC000850364020 731348619 /nfs/dbraw/zinc/34/86/19/731348619.db2.gz OPGJQGONAKTIOX-UHFFFAOYSA-N 0 3 373.396 3.126 20 10 FGCDHN COc1cc(Br)cc(CN[C@@H]2C[C@H](O)c3ccccc32)c1O ZINC000850372812 731349494 /nfs/dbraw/zinc/34/94/94/731349494.db2.gz ZIDMGUNHOVZFSB-CABCVRRESA-N 0 3 364.239 3.431 20 10 FGCDHN O=[N+]([O-])c1cc(CNCC2SCCS2)ccc1N1CCCCC1 ZINC000850401245 731352747 /nfs/dbraw/zinc/35/27/47/731352747.db2.gz XAEFUQDYFSEZIN-UHFFFAOYSA-N 0 3 353.513 3.481 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)c1[O-] ZINC000850547176 731371532 /nfs/dbraw/zinc/37/15/32/731371532.db2.gz RSODGQXXBPYXDS-HERUPUMHSA-N 0 3 356.260 3.117 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000858548308 732226218 /nfs/dbraw/zinc/22/62/18/732226218.db2.gz ULMGLCKAZCSPDJ-BHYNMZESSA-N 0 3 356.260 3.381 20 10 FGCDHN [O-]c1cccc(Br)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000862248005 732797759 /nfs/dbraw/zinc/79/77/59/732797759.db2.gz GLBAQHZEBBYVTP-CQSZACIVSA-N 0 3 353.304 3.463 20 10 FGCDHN CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000862489081 732841313 /nfs/dbraw/zinc/84/13/13/732841313.db2.gz YYVPBRZVZJPIKB-AWEZNQCLSA-N 0 3 354.244 3.205 20 10 FGCDHN Cn1nc2c(c1CNCc1ccc(N3CCSCC3)cc1)CCCC2 ZINC000865417286 733194973 /nfs/dbraw/zinc/19/49/73/733194973.db2.gz FSVPHVFAOKSOEX-UHFFFAOYSA-N 0 3 356.539 3.142 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(O)ccc2Cl)N(C)C)cc1 ZINC000891249021 739886447 /nfs/dbraw/zinc/88/64/47/739886447.db2.gz OXYRJQDVADBTBC-SFHVURJKSA-N 0 3 361.873 3.144 20 10 FGCDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2cc(C)cc(OC)c2O)cc1 ZINC000894695142 742319294 /nfs/dbraw/zinc/31/92/94/742319294.db2.gz GQSUPTMLNJFQLJ-AWEZNQCLSA-N 0 3 363.479 3.354 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1[O-] ZINC000898720600 742825241 /nfs/dbraw/zinc/82/52/41/742825241.db2.gz MDPNVZNBOPQKEJ-YPMHNXCESA-N 0 3 350.260 3.407 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000926909600 759843882 /nfs/dbraw/zinc/84/38/82/759843882.db2.gz YSBINYWDCSYRMO-DOMZBBRYSA-N 0 3 363.454 3.315 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000779022177 724381669 /nfs/dbraw/zinc/38/16/69/724381669.db2.gz NTPRKADMJSCADK-CYBMUJFWSA-N 0 3 371.319 3.225 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000091949582 494730310 /nfs/dbraw/zinc/73/03/10/494730310.db2.gz SSLKGKCVSPTSPA-MRXNPFEDSA-N 0 3 360.498 3.261 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000091949582 494730316 /nfs/dbraw/zinc/73/03/16/494730316.db2.gz SSLKGKCVSPTSPA-MRXNPFEDSA-N 0 3 360.498 3.261 20 10 FGCDHN COc1cccc(CN(C)[C@H](CO)c2cccc(Br)c2)c1O ZINC000093815594 494924327 /nfs/dbraw/zinc/92/43/27/494924327.db2.gz VDLKGNKPIZCPEX-OAHLLOKOSA-N 0 3 366.255 3.329 20 10 FGCDHN C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124806878 495346614 /nfs/dbraw/zinc/34/66/14/495346614.db2.gz AKVAKVJXCWDEHL-VLIAUNLRSA-N 0 3 362.420 3.186 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000185472933 495590317 /nfs/dbraw/zinc/59/03/17/495590317.db2.gz AUVPTIZINMCYNY-FTRWYGJKSA-N 0 3 355.482 3.357 20 10 FGCDHN C[C@@H](NC[C@H](O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154596474 495666534 /nfs/dbraw/zinc/66/65/34/495666534.db2.gz MGITVXLSIGCASM-ACJLOTCBSA-N 0 3 350.459 3.108 20 10 FGCDHN Cc1cc(Cl)cc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882761 495769931 /nfs/dbraw/zinc/76/99/31/495769931.db2.gz RQQQHKOORUQETB-GFCCVEGCSA-N 0 3 368.886 3.194 20 10 FGCDHN COc1ccc(N2CCC(NCc3cn4c(cccc4C)n3)CC2)cc1 ZINC000160316027 495933939 /nfs/dbraw/zinc/93/39/39/495933939.db2.gz LIANCWTVJYLZCH-UHFFFAOYSA-N 0 3 350.466 3.410 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1[O-] ZINC000183386248 495958612 /nfs/dbraw/zinc/95/86/12/495958612.db2.gz OIBBIYAXQLHRAD-INIZCTEOSA-N 0 3 374.506 3.418 20 10 FGCDHN COc1cccc(CNC(=O)c2oc3ccccc3c2CN(C)C)c1O ZINC000175928608 496605574 /nfs/dbraw/zinc/60/55/74/496605574.db2.gz XHZVRMHIRHJKIZ-UHFFFAOYSA-N 0 3 354.406 3.139 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185072145 496646609 /nfs/dbraw/zinc/64/66/09/496646609.db2.gz ZBSWHWZFHYDHLJ-CQSZACIVSA-N 0 3 360.429 3.227 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185072145 496646613 /nfs/dbraw/zinc/64/66/13/496646613.db2.gz ZBSWHWZFHYDHLJ-CQSZACIVSA-N 0 3 360.429 3.227 20 10 FGCDHN C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1cc(F)ccc1[O-] ZINC000185083158 496651410 /nfs/dbraw/zinc/65/14/10/496651410.db2.gz SBTVZTCSERZHPI-CQSZACIVSA-N 0 3 372.440 3.082 20 10 FGCDHN C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000185086968 496654488 /nfs/dbraw/zinc/65/44/88/496654488.db2.gz HJVDJUOQOSLVRQ-AWEZNQCLSA-N 0 3 351.443 3.187 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c1 ZINC000185090590 496655563 /nfs/dbraw/zinc/65/55/63/496655563.db2.gz LUVBSFPNZHUVEC-OAHLLOKOSA-N 0 3 354.450 3.374 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)c([O-])c1 ZINC000185197854 496701050 /nfs/dbraw/zinc/70/10/50/496701050.db2.gz GWDLIMGHSFIGJD-GOSISDBHSA-N 0 3 370.493 3.262 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000185260524 496719662 /nfs/dbraw/zinc/71/96/62/496719662.db2.gz DRFFXHWSAKMJIT-OXQOHEQNSA-N 0 3 368.477 3.285 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000277519423 496800707 /nfs/dbraw/zinc/80/07/07/496800707.db2.gz PDHOUPNHBZWBAB-CZUORRHYSA-N 0 3 350.459 3.136 20 10 FGCDHN CCOCc1cc(CNCCOCC(F)(F)C(F)F)ccc1OC ZINC000277537340 496805098 /nfs/dbraw/zinc/80/50/98/496805098.db2.gz WBIKKKMEIWNJQZ-UHFFFAOYSA-N 0 3 353.356 3.238 20 10 FGCDHN O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCN1CC(F)(F)F ZINC000264793317 496985875 /nfs/dbraw/zinc/98/58/75/496985875.db2.gz BBRSNNGCZMTZBP-MRXNPFEDSA-N 0 3 364.367 3.312 20 10 FGCDHN OC[C@H](C[C@@H](O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000269918918 497023450 /nfs/dbraw/zinc/02/34/50/497023450.db2.gz KELJIHISZXUKQO-RBBKRZOGSA-N 0 3 354.494 3.251 20 10 FGCDHN CCOc1cccc(CN2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000275107587 497237663 /nfs/dbraw/zinc/23/76/63/497237663.db2.gz BLHVQHWUNSXPEV-UHFFFAOYSA-N 0 3 363.845 3.278 20 10 FGCDHN Cc1n[nH]c(C)c1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266148425 497266888 /nfs/dbraw/zinc/26/68/88/497266888.db2.gz JJUIKZOMIAVGGI-CQSZACIVSA-N 0 3 350.413 3.387 20 10 FGCDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000275707958 497409012 /nfs/dbraw/zinc/40/90/12/497409012.db2.gz UBLMRHVQFKQMIH-KNQAVFIVSA-N 0 3 373.541 3.072 20 10 FGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCN1CCC(O)CC1 ZINC000295864347 497833717 /nfs/dbraw/zinc/83/37/17/497833717.db2.gz FSBOIMFRWAUDDN-NRFANRHFSA-N 0 3 354.494 3.112 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000364416339 497945241 /nfs/dbraw/zinc/94/52/41/497945241.db2.gz LMWKBXAHAYBRFD-TXPKVOOTSA-N 0 3 360.498 3.191 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccc(C)cc3[O-])CC2)c1 ZINC000296329446 498001034 /nfs/dbraw/zinc/00/10/34/498001034.db2.gz HEYWTADGLVPFJD-OAHLLOKOSA-N 0 3 357.454 3.472 20 10 FGCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1O ZINC000289651188 498231236 /nfs/dbraw/zinc/23/12/36/498231236.db2.gz IFDZLTVEZFPXSS-MRXNPFEDSA-N 0 3 370.493 3.460 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1[O-] ZINC000360717042 498301483 /nfs/dbraw/zinc/30/14/83/498301483.db2.gz VXSMUGZBOUEALE-BBRMVZONSA-N 0 3 352.413 3.455 20 10 FGCDHN Cc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000288258398 498978549 /nfs/dbraw/zinc/97/85/49/498978549.db2.gz GJZBZBFHWSTOPH-MAUKXSAKSA-N 0 3 352.482 3.188 20 10 FGCDHN Cc1ccc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([O-])c1O ZINC000288284353 498984529 /nfs/dbraw/zinc/98/45/29/498984529.db2.gz HKOANULWWIJIDE-QFIPXVFZSA-N 0 3 366.461 3.144 20 10 FGCDHN Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([O-])c1O ZINC000288284353 498984535 /nfs/dbraw/zinc/98/45/35/498984535.db2.gz HKOANULWWIJIDE-QFIPXVFZSA-N 0 3 366.461 3.144 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c([O-])c1C ZINC000363860715 499028142 /nfs/dbraw/zinc/02/81/42/499028142.db2.gz GUGBZXYZXIXYIH-KLAILNCOSA-N 0 3 366.527 3.006 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000372597137 499151391 /nfs/dbraw/zinc/15/13/91/499151391.db2.gz XGAJVIUFCCDRBM-KSSFIOAISA-N 0 3 358.482 3.185 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1[O-] ZINC000367226534 499165020 /nfs/dbraw/zinc/16/50/20/499165020.db2.gz MLAFPFSRYBEYOM-MRXNPFEDSA-N 0 3 355.438 3.037 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1[O-] ZINC000367226534 499165022 /nfs/dbraw/zinc/16/50/22/499165022.db2.gz MLAFPFSRYBEYOM-MRXNPFEDSA-N 0 3 355.438 3.037 20 10 FGCDHN CCc1nc(CN2CCC[C@@H]([N@H+](C)[C@@H](C)c3cc(OC)ccc3[O-])C2)no1 ZINC000368030324 499257292 /nfs/dbraw/zinc/25/72/92/499257292.db2.gz MYBOKLKAWSBSDR-LSDHHAIUSA-N 0 3 374.485 3.004 20 10 FGCDHN CCc1nc(CN2CCC[C@@H]([N@@H+](C)[C@@H](C)c3cc(OC)ccc3[O-])C2)no1 ZINC000368030324 499257293 /nfs/dbraw/zinc/25/72/93/499257293.db2.gz MYBOKLKAWSBSDR-LSDHHAIUSA-N 0 3 374.485 3.004 20 10 FGCDHN CCC[C@]1(CO)CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000368136428 499268156 /nfs/dbraw/zinc/26/81/56/499268156.db2.gz VCFOKRQQYNSOPN-INIZCTEOSA-N 0 3 358.276 3.148 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371559400 499341963 /nfs/dbraw/zinc/34/19/63/499341963.db2.gz HSOBRNAETSFONX-LJQANCHMSA-N 0 3 372.509 3.406 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1 ZINC000371870962 499373845 /nfs/dbraw/zinc/37/38/45/499373845.db2.gz VYKSGGXJWOUPEA-ZDUSSCGKSA-N 0 3 358.438 3.258 20 10 FGCDHN CCOc1cccc(CN2CCC(O)(Cc3ccccc3F)CC2)c1O ZINC000369661169 499433136 /nfs/dbraw/zinc/43/31/36/499433136.db2.gz AHFMCJSTCWKYEP-UHFFFAOYSA-N 0 3 359.441 3.500 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1C ZINC000373255277 499459997 /nfs/dbraw/zinc/45/99/97/499459997.db2.gz JJUKTTCZETVKIQ-HZPDHXFCSA-N 0 3 353.466 3.037 20 10 FGCDHN COCc1nccc([C@H]2CCC[N@@H+]([C@@H](C)c3cc(OC)ccc3[O-])C2)n1 ZINC000373609417 499479806 /nfs/dbraw/zinc/47/98/06/499479806.db2.gz NZXIYBUFECDJRM-GJZGRUSLSA-N 0 3 357.454 3.278 20 10 FGCDHN COCc1nccc([C@H]2CCC[N@H+]([C@@H](C)c3cc(OC)ccc3[O-])C2)n1 ZINC000373609417 499479807 /nfs/dbraw/zinc/47/98/07/499479807.db2.gz NZXIYBUFECDJRM-GJZGRUSLSA-N 0 3 357.454 3.278 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ncccc3C)CC2)c1[O-] ZINC000378335379 499502987 /nfs/dbraw/zinc/50/29/87/499502987.db2.gz OMALUUMQVCGGNM-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN Cc1cccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1[O-] ZINC000377232629 499672335 /nfs/dbraw/zinc/67/23/35/499672335.db2.gz PCNUEILMRGEDFY-QGZVFWFLSA-N 0 3 352.413 3.203 20 10 FGCDHN COc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1[O-] ZINC000377619229 499711021 /nfs/dbraw/zinc/71/10/21/499711021.db2.gz CHLLMLUWVOFADB-UHFFFAOYSA-N 0 3 374.868 3.449 20 10 FGCDHN Cc1cc(Cl)cc(CNc2ccc(C(=O)NCCN(C)C)cc2)c1O ZINC000529646086 504752007 /nfs/dbraw/zinc/75/20/07/504752007.db2.gz YRUNJGIMGFLTBE-UHFFFAOYSA-N 0 3 361.873 3.258 20 10 FGCDHN CN1CCC[C@@H]2C[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941190 602203221 /nfs/dbraw/zinc/20/32/21/602203221.db2.gz UMYQREOVTYMWFF-DNVCBOLYSA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CCC[C@@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941190 602203223 /nfs/dbraw/zinc/20/32/23/602203223.db2.gz UMYQREOVTYMWFF-DNVCBOLYSA-N 0 3 354.450 3.160 20 10 FGCDHN [O-]c1ccc(Br)cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683327 700453031 /nfs/dbraw/zinc/45/30/31/700453031.db2.gz DHGNSJQCRNKTNK-AWEZNQCLSA-N 0 3 353.304 3.463 20 10 FGCDHN Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359218 700571359 /nfs/dbraw/zinc/57/13/59/700571359.db2.gz JKHBVUIXCBFKGL-KRWDZBQOSA-N 0 3 362.905 3.150 20 10 FGCDHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000127275954 700759611 /nfs/dbraw/zinc/75/96/11/700759611.db2.gz RUZOALCIJNDORJ-SHACYNPGSA-N 0 3 372.962 3.374 20 10 FGCDHN CCN(CC)c1ccc(CNC(=O)N(CCN(C)C)C(C)C)cc1F ZINC000158578022 705191318 /nfs/dbraw/zinc/19/13/18/705191318.db2.gz RITLFOHVSQWRGX-UHFFFAOYSA-N 0 3 352.498 3.154 20 10 FGCDHN COc1cc(C)cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000164196754 705326027 /nfs/dbraw/zinc/32/60/27/705326027.db2.gz BFDKXJPURHERRC-OAHLLOKOSA-N 0 3 350.459 3.198 20 10 FGCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N3CCCC3)CC2)c1O ZINC000176997009 705599991 /nfs/dbraw/zinc/59/99/91/705599991.db2.gz RXGBJSQANOHURL-UHFFFAOYSA-N 0 3 364.873 3.083 20 10 FGCDHN Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c(C)s1 ZINC000186141578 712710553 /nfs/dbraw/zinc/71/05/53/712710553.db2.gz WKEWXUQOWIJCFJ-ZDUSSCGKSA-N 0 3 368.524 3.008 20 10 FGCDHN OCc1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC000742369794 722556538 /nfs/dbraw/zinc/55/65/38/722556538.db2.gz UHUGYJMAYKBYMC-UHFFFAOYSA-N 0 3 352.381 3.132 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Br)c(F)cc1[O-] ZINC000756647829 722968227 /nfs/dbraw/zinc/96/82/27/722968227.db2.gz VPMJGSVWNODCAJ-SCZZXKLOSA-N 0 3 354.223 3.225 20 10 FGCDHN C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000762649651 723267064 /nfs/dbraw/zinc/26/70/64/723267064.db2.gz OLLRLMWZHYPAKY-KBPBESRZSA-N 0 3 371.319 3.306 20 10 FGCDHN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000792166354 723317189 /nfs/dbraw/zinc/31/71/89/723317189.db2.gz YWHBGHBJFMJTJR-UHFFFAOYSA-N 0 3 356.869 3.119 20 10 FGCDHN CN(C)c1ccc([C@H](CNCC2(F)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000793038557 723394795 /nfs/dbraw/zinc/39/47/95/723394795.db2.gz RVSYAPRYVSXXBP-INIZCTEOSA-N 0 3 351.466 3.410 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000793565759 723449257 /nfs/dbraw/zinc/44/92/57/723449257.db2.gz DBTJOGSFWDLYFK-CORIIIEPSA-N 0 3 374.319 3.272 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1[O-] ZINC000793608494 723454492 /nfs/dbraw/zinc/45/44/92/723454492.db2.gz JQLSPXDQTWHCMW-AWEZNQCLSA-N 0 3 358.276 3.290 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCCCC[C@H]2CCO)c1[O-] ZINC000793608494 723454493 /nfs/dbraw/zinc/45/44/93/723454493.db2.gz JQLSPXDQTWHCMW-AWEZNQCLSA-N 0 3 358.276 3.290 20 10 FGCDHN CS[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@@H]1N(C)C ZINC000765268540 723500061 /nfs/dbraw/zinc/50/00/61/723500061.db2.gz JUSZYRBWUIYMLQ-JKSUJKDBSA-N 0 3 363.552 3.273 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000770376633 723712308 /nfs/dbraw/zinc/71/23/08/723712308.db2.gz WIEOBQWLQOFDAF-OLZOCXBDSA-N 0 3 370.287 3.412 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000770376633 723712309 /nfs/dbraw/zinc/71/23/09/723712309.db2.gz WIEOBQWLQOFDAF-OLZOCXBDSA-N 0 3 370.287 3.412 20 10 FGCDHN OCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000808429100 725200706 /nfs/dbraw/zinc/20/07/06/725200706.db2.gz ASVQWSSTQFAUFQ-FQEVSTJZSA-N 0 3 360.885 3.390 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2COc3ccccc32)c1[O-] ZINC000808450785 725201742 /nfs/dbraw/zinc/20/17/42/725201742.db2.gz ACLCYFRYEBOVPI-LBPRGKRZSA-N 0 3 364.239 3.429 20 10 FGCDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000809713946 725261949 /nfs/dbraw/zinc/26/19/49/725261949.db2.gz RNHCHEBFIKNBEF-OAHLLOKOSA-N 0 3 369.303 3.344 20 10 FGCDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000809713946 725261952 /nfs/dbraw/zinc/26/19/52/725261952.db2.gz RNHCHEBFIKNBEF-OAHLLOKOSA-N 0 3 369.303 3.344 20 10 FGCDHN CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216345 725297425 /nfs/dbraw/zinc/29/74/25/725297425.db2.gz HYPYGOQOBNUEJV-CJNGLKHVSA-N 0 3 359.436 3.088 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@H](O)C(F)F ZINC000824635551 729352109 /nfs/dbraw/zinc/35/21/09/729352109.db2.gz HQMYJZABFZZXNO-WMZOPIPTSA-N 0 3 351.393 3.465 20 10 FGCDHN N[C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320408 729428633 /nfs/dbraw/zinc/42/86/33/729428633.db2.gz ILHPZXLPBWGXHA-IBGZPJMESA-N 0 3 361.555 3.154 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000834915109 729846163 /nfs/dbraw/zinc/84/61/63/729846163.db2.gz PWBCHZZMOSFFTR-NJZAAPMLSA-N 0 3 367.287 3.267 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c1[O-] ZINC000840960488 730197634 /nfs/dbraw/zinc/19/76/34/730197634.db2.gz ICZSWZNWTIILFS-MGPLVRAMSA-N 0 3 358.276 3.457 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1[O-] ZINC000848525083 731175285 /nfs/dbraw/zinc/17/52/85/731175285.db2.gz MSEOQJBWNFNSBU-JQWIXIFHSA-N 0 3 355.276 3.051 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCNc2ccccn2)c1[O-] ZINC000848528883 731176017 /nfs/dbraw/zinc/17/60/17/731176017.db2.gz JAFTUASCRBLWNP-LLVKDONJSA-N 0 3 366.259 3.321 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccccn2)c1[O-] ZINC000848567306 731182716 /nfs/dbraw/zinc/18/27/16/731182716.db2.gz SFOCMPXMEMQHLQ-NSHDSACASA-N 0 3 351.244 3.279 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1[O-] ZINC000850344216 731344524 /nfs/dbraw/zinc/34/45/24/731344524.db2.gz YBGNAYYEAVNXIN-CYBMUJFWSA-N 0 3 357.292 3.126 20 10 FGCDHN O=[S@](CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CC(F)(F)F ZINC000850347957 731345767 /nfs/dbraw/zinc/34/57/67/731345767.db2.gz BRTAFXYFZSRBAN-XMMPIXPASA-N 0 3 357.397 3.460 20 10 FGCDHN CCCN(CCC)c1ccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1 ZINC000850368955 731349042 /nfs/dbraw/zinc/34/90/42/731349042.db2.gz QFWAUGGTCRUOTQ-FUHWJXTLSA-N 0 3 352.544 3.368 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000862482449 732839819 /nfs/dbraw/zinc/83/98/19/732839819.db2.gz UCUXIBBNVADWKR-KRWDZBQOSA-N 0 3 350.821 3.180 20 10 FGCDHN COc1ccc(CN[C@H](CCO)c2cccs2)cc1Cn1cccn1 ZINC000873058850 735715089 /nfs/dbraw/zinc/71/50/89/735715089.db2.gz KEYGUVNNQOREET-QGZVFWFLSA-N 0 3 357.479 3.215 20 10 FGCDHN Cc1nnsc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071166 736183741 /nfs/dbraw/zinc/18/37/41/736183741.db2.gz FVWCSCCZBGFSKX-GFCCVEGCSA-N 0 3 354.426 3.207 20 10 FGCDHN Cc1ccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(O)c1 ZINC000877506651 736674087 /nfs/dbraw/zinc/67/40/87/736674087.db2.gz AZKYNFDCCMIOPE-UHFFFAOYSA-N 0 3 373.396 3.413 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C(F)(F)F)CCC2)N(C)C)cc1 ZINC000891248849 739886570 /nfs/dbraw/zinc/88/65/70/739886570.db2.gz NOSLGLVOFGXRJT-OAHLLOKOSA-N 0 3 357.420 3.204 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)N(C)C)cc1 ZINC000891249573 739886690 /nfs/dbraw/zinc/88/66/90/739886690.db2.gz RNFZDSQCUPYBFH-WBVHZDCISA-N 0 3 353.457 3.297 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1[O-] ZINC000922896719 759024105 /nfs/dbraw/zinc/02/41/05/759024105.db2.gz JKQQGVCHPWJMQS-BLLLJJGKSA-N 0 3 370.287 3.458 20 10 FGCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000069713967 494000739 /nfs/dbraw/zinc/00/07/39/494000739.db2.gz DQUMGTASJRCVBN-INIZCTEOSA-N 0 3 367.493 3.261 20 10 FGCDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000089618954 494332332 /nfs/dbraw/zinc/33/23/32/494332332.db2.gz FHVHHHUECBMPDM-YOEHRIQHSA-N 0 3 369.431 3.491 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)c3ccsc3)CC2)c1O ZINC000092484865 494642626 /nfs/dbraw/zinc/64/26/26/494642626.db2.gz RMCNKSWWYFWXCK-UHFFFAOYSA-N 0 3 360.479 3.247 20 10 FGCDHN O[C@H](C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958270 494734892 /nfs/dbraw/zinc/73/48/92/494734892.db2.gz UPJGRWATDWYCHT-VQTJNVASSA-N 0 3 356.466 3.204 20 10 FGCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(CO)c1 ZINC000121412677 494744159 /nfs/dbraw/zinc/74/41/59/494744159.db2.gz SHPJOAFANYEZFZ-KRWDZBQOSA-N 0 3 354.494 3.238 20 10 FGCDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c(C)n1-c1ccccn1 ZINC000119230738 495122647 /nfs/dbraw/zinc/12/26/47/495122647.db2.gz FKQURGCJFYJTGV-PKOBYXMFSA-N 0 3 352.482 3.045 20 10 FGCDHN CC(=O)N1CC[C@H](NCc2ccc3c(c2)CCN3C)c2ccc(F)cc2C1 ZINC000185365667 495549086 /nfs/dbraw/zinc/54/90/86/495549086.db2.gz IXEGCPAAINVTNS-NRFANRHFSA-N 0 3 367.468 3.401 20 10 FGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000179754910 495719837 /nfs/dbraw/zinc/71/98/37/495719837.db2.gz RXMJZAFVXWCHDX-UHFFFAOYSA-N 0 3 368.433 3.280 20 10 FGCDHN CC(=O)N(C)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183019569 495800352 /nfs/dbraw/zinc/80/03/52/495800352.db2.gz NEIAGXONDRBLEC-UHFFFAOYSA-N 0 3 368.477 3.414 20 10 FGCDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000160334023 495938766 /nfs/dbraw/zinc/93/87/66/495938766.db2.gz JVPNXNGBVBXPDF-RHSMWYFYSA-N 0 3 357.477 3.382 20 10 FGCDHN COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1[O-] ZINC000184243748 496302026 /nfs/dbraw/zinc/30/20/26/496302026.db2.gz PONSJOHAQMBTIP-CWRNSKLLSA-N 0 3 362.470 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1[O-] ZINC000184243748 496302027 /nfs/dbraw/zinc/30/20/27/496302027.db2.gz PONSJOHAQMBTIP-CWRNSKLLSA-N 0 3 362.470 3.136 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000187371125 496414530 /nfs/dbraw/zinc/41/45/30/496414530.db2.gz ROAROXWGGVPZFE-GWCFXTLKSA-N 0 3 350.260 3.394 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000184909472 496581631 /nfs/dbraw/zinc/58/16/31/496581631.db2.gz RVLNVTHGZTXLFG-CRAIPNDOSA-N 0 3 360.454 3.026 20 10 FGCDHN COc1ccc(N2CCC(N[C@@H](C)c3nnc4ccccn43)CC2)cc1 ZINC000164125577 496587662 /nfs/dbraw/zinc/58/76/62/496587662.db2.gz JQVDXHXGUIHBSZ-HNNXBMFYSA-N 0 3 351.454 3.058 20 10 FGCDHN COc1cc(Cl)cc(CN[C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000184939483 496593503 /nfs/dbraw/zinc/59/35/03/496593503.db2.gz JFORUXBJIUFRQO-CMJOXMDJSA-N 0 3 353.871 3.264 20 10 FGCDHN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264574493 496933105 /nfs/dbraw/zinc/93/31/05/496933105.db2.gz IGQRDJAMCRGKDZ-FQEVSTJZSA-N 0 3 356.514 3.057 20 10 FGCDHN CSC1(CNC(=O)NCc2c(C)c3ccccc3n2C)CCN(C)CC1 ZINC000578183552 505880714 /nfs/dbraw/zinc/88/07/14/505880714.db2.gz GKOOPBBBRHWMCD-UHFFFAOYSA-N 0 3 374.554 3.113 20 10 FGCDHN O=C(Nc1cccc(F)c1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000265725864 497169054 /nfs/dbraw/zinc/16/90/54/497169054.db2.gz OQNFMVJYYLUQDU-UHFFFAOYSA-N 0 3 372.396 3.111 20 10 FGCDHN Cn1cc([C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@H]2CO)cn1 ZINC000278711836 497197181 /nfs/dbraw/zinc/19/71/81/497197181.db2.gz OOTPSMSSRIFZII-SFTDATJTSA-N 0 3 363.461 3.001 20 10 FGCDHN Cn1cc([C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@H]2CO)cn1 ZINC000278711836 497197187 /nfs/dbraw/zinc/19/71/87/497197187.db2.gz OOTPSMSSRIFZII-SFTDATJTSA-N 0 3 363.461 3.001 20 10 FGCDHN COc1ccc(N2CCCN(C(=O)[C@H](C)[C@@H](N)c3ccccc3)CC2)cc1 ZINC000237264606 497212273 /nfs/dbraw/zinc/21/22/73/497212273.db2.gz VMNUANDJURMJGM-DYESRHJHSA-N 0 3 367.493 3.070 20 10 FGCDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3cscn3)CC2)cc1 ZINC000271152041 497274006 /nfs/dbraw/zinc/27/40/06/497274006.db2.gz QOKDOKRXOWSXAW-INIZCTEOSA-N 0 3 360.527 3.015 20 10 FGCDHN C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2F)CC1 ZINC000193017453 497276181 /nfs/dbraw/zinc/27/61/81/497276181.db2.gz ZSDJUSJHWHGYKP-UHFFFAOYSA-N 0 3 373.428 3.020 20 10 FGCDHN CCO[C@@H]1C[C@@](N)(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000275478668 497339376 /nfs/dbraw/zinc/33/93/76/497339376.db2.gz JALLFEZCGPRFOB-DENIHFKCSA-N 0 3 373.541 3.168 20 10 FGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1O ZINC000267298843 497518870 /nfs/dbraw/zinc/51/88/70/497518870.db2.gz FFYCUUUYXPLCGF-APWZRJJASA-N 0 3 353.466 3.102 20 10 FGCDHN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000194260780 497616685 /nfs/dbraw/zinc/61/66/85/497616685.db2.gz VBHJTFVHRPCDTQ-UWJYYQICSA-N 0 3 355.526 3.468 20 10 FGCDHN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000194260792 497617567 /nfs/dbraw/zinc/61/75/67/497617567.db2.gz VBHJTFVHRPCDTQ-DYESRHJHSA-N 0 3 355.526 3.468 20 10 FGCDHN Cc1cc(O)c(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1C ZINC000277077555 497735534 /nfs/dbraw/zinc/73/55/34/497735534.db2.gz TYRRWQPSJLVPMK-UHFFFAOYSA-N 0 3 353.871 3.356 20 10 FGCDHN Cc1ccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c(=O)n1C ZINC000280496253 497771790 /nfs/dbraw/zinc/77/17/90/497771790.db2.gz FQYYKVDXJFUYDV-UHFFFAOYSA-N 0 3 353.388 3.068 20 10 FGCDHN CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000280890582 497937377 /nfs/dbraw/zinc/93/73/77/497937377.db2.gz FBXZKEYTWYLHLH-GXTWGEPZSA-N 0 3 369.303 3.372 20 10 FGCDHN CCCNC(=O)C1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296205195 497954870 /nfs/dbraw/zinc/95/48/70/497954870.db2.gz CJLZTGPFSWRHGW-UHFFFAOYSA-N 0 3 373.541 3.040 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3cc(F)ccc3[O-])CC2)c1 ZINC000296352776 498009374 /nfs/dbraw/zinc/00/93/74/498009374.db2.gz IIOMRMONXMZEBG-ZDUSSCGKSA-N 0 3 361.417 3.303 20 10 FGCDHN CCOc1ccc(O)c(CNCc2ccncc2OCC(F)(F)F)c1 ZINC000282189244 498417521 /nfs/dbraw/zinc/41/75/21/498417521.db2.gz KOZACGJZCBMPDG-UHFFFAOYSA-N 0 3 356.344 3.417 20 10 FGCDHN CC[C@@H]([NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000290308975 498503383 /nfs/dbraw/zinc/50/33/83/498503383.db2.gz ZOGOMWDSJHBSEV-DYESRHJHSA-N 0 3 359.466 3.444 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1OC ZINC000291614333 499012986 /nfs/dbraw/zinc/01/29/86/499012986.db2.gz RGURRMBXMJQMCB-QGZVFWFLSA-N 0 3 354.450 3.046 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1OC ZINC000291614333 499012990 /nfs/dbraw/zinc/01/29/90/499012990.db2.gz RGURRMBXMJQMCB-QGZVFWFLSA-N 0 3 354.450 3.046 20 10 FGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000295773884 499098993 /nfs/dbraw/zinc/09/89/93/499098993.db2.gz AMDFGYILWWYAIS-GOSISDBHSA-N 0 3 356.441 3.270 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000367319829 499180951 /nfs/dbraw/zinc/18/09/51/499180951.db2.gz XZADNSLAGNIRPR-WBVHZDCISA-N 0 3 374.485 3.142 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000367319829 499180953 /nfs/dbraw/zinc/18/09/53/499180953.db2.gz XZADNSLAGNIRPR-WBVHZDCISA-N 0 3 374.485 3.142 20 10 FGCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000372854515 499184510 /nfs/dbraw/zinc/18/45/10/499184510.db2.gz DSDLZPMJRHAVQB-DYESRHJHSA-N 0 3 353.510 3.003 20 10 FGCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000372854515 499184513 /nfs/dbraw/zinc/18/45/13/499184513.db2.gz DSDLZPMJRHAVQB-DYESRHJHSA-N 0 3 353.510 3.003 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000367357787 499187676 /nfs/dbraw/zinc/18/76/76/499187676.db2.gz YGBFXSLIFDFXMS-HNNXBMFYSA-N 0 3 370.497 3.469 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000367357787 499187677 /nfs/dbraw/zinc/18/76/77/499187677.db2.gz YGBFXSLIFDFXMS-HNNXBMFYSA-N 0 3 370.497 3.469 20 10 FGCDHN C[C@H](NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1ncc[nH]1 ZINC000367601282 499216479 /nfs/dbraw/zinc/21/64/79/499216479.db2.gz NHEYMTWLDAPTDI-STQMWFEESA-N 0 3 354.376 3.485 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1OC ZINC000370649680 499239867 /nfs/dbraw/zinc/23/98/67/499239867.db2.gz GFWFRCIOQGNOJI-INIZCTEOSA-N 0 3 356.466 3.416 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000370710512 499247004 /nfs/dbraw/zinc/24/70/04/499247004.db2.gz UFXVYMQSNRKIME-UHFFFAOYSA-N 0 3 356.260 3.166 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000370710512 499247006 /nfs/dbraw/zinc/24/70/06/499247006.db2.gz UFXVYMQSNRKIME-UHFFFAOYSA-N 0 3 356.260 3.166 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000368031238 499257353 /nfs/dbraw/zinc/25/73/53/499257353.db2.gz SKILIRUBNUVUJE-HNNXBMFYSA-N 0 3 359.470 3.355 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000368031238 499257354 /nfs/dbraw/zinc/25/73/54/499257354.db2.gz SKILIRUBNUVUJE-HNNXBMFYSA-N 0 3 359.470 3.355 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1[O-] ZINC000368402224 499292634 /nfs/dbraw/zinc/29/26/34/499292634.db2.gz JODBLJQYFGAUJG-KBXCAEBGSA-N 0 3 362.905 3.260 20 10 FGCDHN COc1cccc(C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c1[O-] ZINC000371327924 499310621 /nfs/dbraw/zinc/31/06/21/499310621.db2.gz QHFJUGUIRLTFJK-IBGZPJMESA-N 0 3 360.498 3.404 20 10 FGCDHN CCOc1cccc(CN2CCC[C@@H](C(=O)Nc3nccs3)C2)c1O ZINC000371396797 499320663 /nfs/dbraw/zinc/32/06/63/499320663.db2.gz UKPBJAIYSDQWLX-CQSZACIVSA-N 0 3 361.467 3.098 20 10 FGCDHN COc1cccc(CN2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)c1O ZINC000371395661 499320697 /nfs/dbraw/zinc/32/06/97/499320697.db2.gz JAPPFIJKFAQPPY-AWEZNQCLSA-N 0 3 361.467 3.016 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799041 499333950 /nfs/dbraw/zinc/33/39/50/499333950.db2.gz UMZYBYHUBKCAPX-CVEARBPZSA-N 0 3 366.465 3.459 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799041 499333952 /nfs/dbraw/zinc/33/39/52/499333952.db2.gz UMZYBYHUBKCAPX-CVEARBPZSA-N 0 3 366.465 3.459 20 10 FGCDHN Cn1cncc1CNC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000368944157 499349116 /nfs/dbraw/zinc/34/91/16/499349116.db2.gz SRNUXBLCNWESGT-UHFFFAOYSA-N 0 3 354.376 3.077 20 10 FGCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000371677221 499353940 /nfs/dbraw/zinc/35/39/40/499353940.db2.gz RTSJNHYQFIRDHU-QGZVFWFLSA-N 0 3 352.413 3.203 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000378382199 499509933 /nfs/dbraw/zinc/50/99/33/499509933.db2.gz YJGWFNDOCKVKEJ-IEBWSBKVSA-N 0 3 359.470 3.003 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000378382199 499509934 /nfs/dbraw/zinc/50/99/34/499509934.db2.gz YJGWFNDOCKVKEJ-IEBWSBKVSA-N 0 3 359.470 3.003 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000376320984 499600348 /nfs/dbraw/zinc/60/03/48/499600348.db2.gz KSJSPIXFUBMVRS-QAPCUYQASA-N 0 3 353.466 3.201 20 10 FGCDHN CN1CC[NH+](C[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377624058 499712181 /nfs/dbraw/zinc/71/21/81/499712181.db2.gz KNDKKPFIOFWLQG-CQSZACIVSA-N 0 3 372.340 3.158 20 10 FGCDHN Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)c2cc(F)ccc2[O-])oc1C ZINC000377765544 499730609 /nfs/dbraw/zinc/73/06/09/499730609.db2.gz CWLAAPDEEFINOQ-KCXAZCMYSA-N 0 3 365.424 3.399 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)cc1C ZINC000377838154 499740727 /nfs/dbraw/zinc/74/07/27/499740727.db2.gz WAXRIUCTFFQDPK-UHFFFAOYSA-N 0 3 354.450 3.109 20 10 FGCDHN COC[C@@]1(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])OCCc2ccccc21 ZINC000377936358 499749357 /nfs/dbraw/zinc/74/93/57/499749357.db2.gz DVBSYEMYQQQQTH-QVKFZJNVSA-N 0 3 357.450 3.166 20 10 FGCDHN COC[C@]1(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])OCCc2ccccc21 ZINC000377936359 499749386 /nfs/dbraw/zinc/74/93/86/499749386.db2.gz DVBSYEMYQQQQTH-VFNWGFHPSA-N 0 3 357.450 3.166 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458736562 501518720 /nfs/dbraw/zinc/51/87/20/501518720.db2.gz JRVPAQZGSGBFRQ-HNNXBMFYSA-N 0 3 354.498 3.112 20 10 FGCDHN CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434645 608549840 /nfs/dbraw/zinc/54/98/40/608549840.db2.gz CQEWCJMGVCXBNA-ZDUSSCGKSA-N 0 3 353.426 3.164 20 10 FGCDHN CC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434645 608549842 /nfs/dbraw/zinc/54/98/42/608549842.db2.gz CQEWCJMGVCXBNA-ZDUSSCGKSA-N 0 3 353.426 3.164 20 10 FGCDHN CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825434645 608549844 /nfs/dbraw/zinc/54/98/44/608549844.db2.gz CQEWCJMGVCXBNA-ZDUSSCGKSA-N 0 3 353.426 3.164 20 10 FGCDHN CC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825434645 608549846 /nfs/dbraw/zinc/54/98/46/608549846.db2.gz CQEWCJMGVCXBNA-ZDUSSCGKSA-N 0 3 353.426 3.164 20 10 FGCDHN OCCN(CCOCC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000093319914 700450267 /nfs/dbraw/zinc/45/02/67/700450267.db2.gz NLCOFWRNDPSHPU-UHFFFAOYSA-N 0 3 360.420 3.050 20 10 FGCDHN Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000113359216 700571322 /nfs/dbraw/zinc/57/13/22/700571322.db2.gz JKHBVUIXCBFKGL-QGZVFWFLSA-N 0 3 362.905 3.150 20 10 FGCDHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000127276442 700759721 /nfs/dbraw/zinc/75/97/21/700759721.db2.gz RUZOALCIJNDORJ-JBEBIEQOSA-N 0 3 372.962 3.374 20 10 FGCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000131428822 700815212 /nfs/dbraw/zinc/81/52/12/700815212.db2.gz GCWQJJDBPLZCIP-HUUCEWRRSA-N 0 3 350.459 3.326 20 10 FGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186164709 712711137 /nfs/dbraw/zinc/71/11/37/712711137.db2.gz ZVBSVWCQVSGWAV-ZFWWWQNUSA-N 0 3 351.443 3.434 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1[O-] ZINC000374543308 713929620 /nfs/dbraw/zinc/92/96/20/713929620.db2.gz KLJWIYGEANVNSL-CYBMUJFWSA-N 0 3 366.259 3.064 20 10 FGCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000382453661 713979926 /nfs/dbraw/zinc/97/99/26/713979926.db2.gz HPKSYCMDXCCURW-UKRRQHHQSA-N 0 3 350.459 3.184 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000779093747 724389628 /nfs/dbraw/zinc/38/96/28/724389628.db2.gz JJKXAXFZSMIVMN-CYBMUJFWSA-N 0 3 357.347 3.491 20 10 FGCDHN O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CN1c1ccc(Cl)c(F)c1 ZINC000779100930 724390299 /nfs/dbraw/zinc/39/02/99/724390299.db2.gz VHAJEXWNSPHCRG-GFCCVEGCSA-N 0 3 352.768 3.219 20 10 FGCDHN COc1cc(Br)cc(CN2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000790934660 723196020 /nfs/dbraw/zinc/19/60/20/723196020.db2.gz QPABRMDJQHGFTB-SMDDNHRTSA-N 0 3 358.276 3.289 20 10 FGCDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(Br)cc(C)c2[O-])C1(C)C ZINC000783724344 724782319 /nfs/dbraw/zinc/78/23/19/724782319.db2.gz VEYNPLQEFRXEMA-RHSMWYFYSA-N 0 3 372.303 3.119 20 10 FGCDHN CN1CCN(C[C@H]([NH2+]Cc2c([O-])cccc2Cl)c2ccccc2)CC1 ZINC000733327038 722495665 /nfs/dbraw/zinc/49/56/65/722495665.db2.gz LQGRMXARRXYPON-IBGZPJMESA-N 0 3 359.901 3.124 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756455153 722964932 /nfs/dbraw/zinc/96/49/32/722964932.db2.gz HSEGQGWMXDQTPG-CJNGLKHVSA-N 0 3 363.454 3.284 20 10 FGCDHN C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000762649910 723267178 /nfs/dbraw/zinc/26/71/78/723267178.db2.gz OLLRLMWZHYPAKY-KGLIPLIRSA-N 0 3 371.319 3.306 20 10 FGCDHN C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000769513830 723688345 /nfs/dbraw/zinc/68/83/45/723688345.db2.gz FPVHQSUJEQRZKO-CQSZACIVSA-N 0 3 353.304 3.318 20 10 FGCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000769513830 723688346 /nfs/dbraw/zinc/68/83/46/723688346.db2.gz FPVHQSUJEQRZKO-CQSZACIVSA-N 0 3 353.304 3.318 20 10 FGCDHN Cc1cc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1N(C)C ZINC000772995861 723774245 /nfs/dbraw/zinc/77/42/45/723774245.db2.gz FNUHNWZFDGAKFW-HNNXBMFYSA-N 0 3 361.511 3.283 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000797140928 723786287 /nfs/dbraw/zinc/78/62/87/723786287.db2.gz OSIYMDREVXLTRF-FRRDWIJNSA-N 0 3 362.499 3.428 20 10 FGCDHN COc1cccc(F)c1[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775021587 723953094 /nfs/dbraw/zinc/95/30/94/723953094.db2.gz PYKBUCGXFCOIQT-JTQLQIEISA-N 0 3 350.346 3.308 20 10 FGCDHN COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775021587 723953097 /nfs/dbraw/zinc/95/30/97/723953097.db2.gz PYKBUCGXFCOIQT-JTQLQIEISA-N 0 3 350.346 3.308 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000776213134 724119545 /nfs/dbraw/zinc/11/95/45/724119545.db2.gz QNKBNMVAUPGZFS-UHFFFAOYSA-N 0 3 362.267 3.083 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1[O-] ZINC000808705969 725214372 /nfs/dbraw/zinc/21/43/72/725214372.db2.gz VUPWGGFLJPFDLM-CABZTGNLSA-N 0 3 350.768 3.168 20 10 FGCDHN Cc1cc(Br)c([O-])c(C[N@H+](CCN(C)C)C[C@H]2CCCO2)c1 ZINC000809737159 725264040 /nfs/dbraw/zinc/26/40/40/725264040.db2.gz DGGBXBLXZZSZKL-OAHLLOKOSA-N 0 3 371.319 3.006 20 10 FGCDHN Cc1cc(Br)c([O-])c(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)c1 ZINC000809737159 725264041 /nfs/dbraw/zinc/26/40/41/725264041.db2.gz DGGBXBLXZZSZKL-OAHLLOKOSA-N 0 3 371.319 3.006 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000809737159 725264042 /nfs/dbraw/zinc/26/40/42/725264042.db2.gz DGGBXBLXZZSZKL-OAHLLOKOSA-N 0 3 371.319 3.006 20 10 FGCDHN CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815559402 727084025 /nfs/dbraw/zinc/08/40/25/727084025.db2.gz FZCJGGLNMSKOSR-KGLIPLIRSA-N 0 3 359.436 3.088 20 10 FGCDHN O=S(=O)(CCC[NH2+]Cc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000816668428 727188105 /nfs/dbraw/zinc/18/81/05/727188105.db2.gz NSQVZGZYVNDTFA-UHFFFAOYSA-N 0 3 357.834 3.138 20 10 FGCDHN C[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc(Br)cc1[O-] ZINC000817941687 727289067 /nfs/dbraw/zinc/28/90/67/727289067.db2.gz VHDILPQYGDVQSP-CYBMUJFWSA-N 0 3 364.287 3.380 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1[O-] ZINC000824845956 729361789 /nfs/dbraw/zinc/36/17/89/729361789.db2.gz PNGCHRXYHZGMJX-HOTGVXAUSA-N 0 3 354.288 3.350 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000825073169 729369981 /nfs/dbraw/zinc/36/99/81/729369981.db2.gz SBEGOVZUQHFFOQ-LBPRGKRZSA-N 0 3 368.246 3.235 20 10 FGCDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000826902972 729418527 /nfs/dbraw/zinc/41/85/27/729418527.db2.gz NIBOFZUPRDNDOL-MAZHCROVSA-N 0 3 372.303 3.119 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000827554750 729431671 /nfs/dbraw/zinc/43/16/71/729431671.db2.gz JTAJCDZCMQRNLP-LBPRGKRZSA-N 0 3 369.303 3.200 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)c1 ZINC000828667182 729446390 /nfs/dbraw/zinc/44/63/90/729446390.db2.gz NTXAJGLNAGCISW-IAQYHMDHSA-N 0 3 363.845 3.025 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000834798451 729834750 /nfs/dbraw/zinc/83/47/50/729834750.db2.gz GIGCYQWHIIJXLH-MDZLAQPJSA-N 0 3 360.483 3.046 20 10 FGCDHN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000840887534 730188410 /nfs/dbraw/zinc/18/84/10/730188410.db2.gz LCAOVUFXTOVIKA-VUCTXSBTSA-N 0 3 374.859 3.376 20 10 FGCDHN Cc1cc(Br)c([O-])c(CNc2ccc(OCC[NH3+])cc2)c1 ZINC000841054805 730206614 /nfs/dbraw/zinc/20/66/14/730206614.db2.gz NEKQGTFMYMGHBI-UHFFFAOYSA-N 0 3 351.244 3.413 20 10 FGCDHN CN(C)C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000841957752 730285694 /nfs/dbraw/zinc/28/56/94/730285694.db2.gz DAZRQDAPEDWSMW-GOSISDBHSA-N 0 3 360.889 3.067 20 10 FGCDHN CN(C)C[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000841957755 730285720 /nfs/dbraw/zinc/28/57/20/730285720.db2.gz DAZRQDAPEDWSMW-SFHVURJKSA-N 0 3 360.889 3.067 20 10 FGCDHN Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc([O-])cs3)C2)s1 ZINC000846653100 730970838 /nfs/dbraw/zinc/97/08/38/730970838.db2.gz ZUWRLCMYXCSQPC-ZDUSSCGKSA-N 0 3 350.509 3.418 20 10 FGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc([O-])cs3)C2)s1 ZINC000846653100 730970839 /nfs/dbraw/zinc/97/08/39/730970839.db2.gz ZUWRLCMYXCSQPC-ZDUSSCGKSA-N 0 3 350.509 3.418 20 10 FGCDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)C3=CC(=O)CS3)C2)s1 ZINC000846653100 730970840 /nfs/dbraw/zinc/97/08/40/730970840.db2.gz ZUWRLCMYXCSQPC-ZDUSSCGKSA-N 0 3 350.509 3.418 20 10 FGCDHN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848527037 731175671 /nfs/dbraw/zinc/17/56/71/731175671.db2.gz PNQBEHWKJREFFZ-MNOVXSKESA-N 0 3 373.291 3.119 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000848527655 731175686 /nfs/dbraw/zinc/17/56/86/731175686.db2.gz FEGPQXRRCYKWAT-COPLHBTASA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1[O-] ZINC000848532503 731176284 /nfs/dbraw/zinc/17/62/84/731176284.db2.gz ISFAISSOKCFDIL-GMXVVIOVSA-N 0 3 369.303 3.439 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1[O-] ZINC000848532509 731176288 /nfs/dbraw/zinc/17/62/88/731176288.db2.gz ISFAISSOKCFDIL-NTZNESFSSA-N 0 3 369.303 3.439 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)NC[C@H](OC)C(F)(F)F)c1O ZINC000848540880 731178230 /nfs/dbraw/zinc/17/82/30/731178230.db2.gz JDCCQBQJHXVQFE-HQJQHLMTSA-N 0 3 372.181 3.391 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](OC)C(F)(F)F)c1[O-] ZINC000848540880 731178231 /nfs/dbraw/zinc/17/82/31/731178231.db2.gz JDCCQBQJHXVQFE-HQJQHLMTSA-N 0 3 372.181 3.391 20 10 FGCDHN CCN(CC)c1ccc(CNCC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000850376812 731350023 /nfs/dbraw/zinc/35/00/23/731350023.db2.gz MLOWISNDLIBSSN-UHFFFAOYSA-N 0 3 352.544 3.370 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)c2c1c(F)ccc2[O-] ZINC000850530790 731369710 /nfs/dbraw/zinc/36/97/10/731369710.db2.gz CNYZTEUBEHCTNA-JSGCOSHPSA-N 0 3 355.475 3.417 20 10 FGCDHN COc1cc(Cl)cc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541134 732847438 /nfs/dbraw/zinc/84/74/38/732847438.db2.gz MRWSSMIRMUGGKB-NSHDSACASA-N 0 3 358.866 3.399 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000862541134 732847443 /nfs/dbraw/zinc/84/74/43/732847443.db2.gz MRWSSMIRMUGGKB-NSHDSACASA-N 0 3 358.866 3.399 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000862541134 732847446 /nfs/dbraw/zinc/84/74/46/732847446.db2.gz MRWSSMIRMUGGKB-NSHDSACASA-N 0 3 358.866 3.399 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1[O-] ZINC000872112892 735590510 /nfs/dbraw/zinc/59/05/10/735590510.db2.gz LPPREFAYJVCDIY-WDEREUQCSA-N 0 3 372.259 3.157 20 10 FGCDHN OC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1 ZINC000877135164 736191849 /nfs/dbraw/zinc/19/18/49/736191849.db2.gz RQCDAGSWUHXBJB-FQEVSTJZSA-N 0 3 360.885 3.124 20 10 FGCDHN C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(Br)cc1[O-] ZINC000903197825 743821288 /nfs/dbraw/zinc/82/12/88/743821288.db2.gz AHAZHPMTUFLGEH-NSHDSACASA-N 0 3 350.260 3.467 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(C)cc1[O-] ZINC000903434675 743851068 /nfs/dbraw/zinc/85/10/68/743851068.db2.gz NURWSDYFBRBNSK-OCCSQVGLSA-N 0 3 362.861 3.169 20 10 FGCDHN CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779051461 724384626 /nfs/dbraw/zinc/38/46/26/724384626.db2.gz HVGPLUGFXAWDDR-AAEUAGOBSA-N 0 3 371.275 3.345 20 10 FGCDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000089618951 494332133 /nfs/dbraw/zinc/33/21/33/494332133.db2.gz FHVHHHUECBMPDM-RHSMWYFYSA-N 0 3 369.431 3.491 20 10 FGCDHN Cc1cc2ncc([C@@H](C)NCc3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000093400377 494886591 /nfs/dbraw/zinc/88/65/91/494886591.db2.gz RTDTUXPJQWYDET-MRXNPFEDSA-N 0 3 365.481 3.034 20 10 FGCDHN Oc1cc2c(cc1CN1CCC([C@@H](O)c3ccc(F)cc3)CC1)OCO2 ZINC000118962666 495059083 /nfs/dbraw/zinc/05/90/83/495059083.db2.gz UECOUYNQIOMJQL-FQEVSTJZSA-N 0 3 359.397 3.206 20 10 FGCDHN COc1ccc([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000125390862 495436660 /nfs/dbraw/zinc/43/66/60/495436660.db2.gz HDRIRTSGNVOXHA-QVKFZJNVSA-N 0 3 374.456 3.055 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000158607056 495549456 /nfs/dbraw/zinc/54/94/56/495549456.db2.gz ADEYETBORYTHHA-LSDHHAIUSA-N 0 3 363.479 3.222 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1OC ZINC000179442655 495592688 /nfs/dbraw/zinc/59/26/88/495592688.db2.gz WZDHITJJSIXPER-UHFFFAOYSA-N 0 3 361.413 3.344 20 10 FGCDHN COc1cc(O)c(CNC2(c3ccc(F)cc3)CCOCC2)cc1OC ZINC000179442655 495592690 /nfs/dbraw/zinc/59/26/90/495592690.db2.gz WZDHITJJSIXPER-UHFFFAOYSA-N 0 3 361.413 3.344 20 10 FGCDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000151591946 495888148 /nfs/dbraw/zinc/88/81/48/495888148.db2.gz WOSIQQXHSMEEHU-INIZCTEOSA-N 0 3 368.477 3.475 20 10 FGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cnc(C)nc3C)cc2F)CC1 ZINC000155277075 495901800 /nfs/dbraw/zinc/90/18/00/495901800.db2.gz PVVPIRLAONHBSD-OAHLLOKOSA-N 0 3 371.504 3.225 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000152063133 496036502 /nfs/dbraw/zinc/03/65/02/496036502.db2.gz WNVBOTADIQATBS-CQSZACIVSA-N 0 3 358.413 3.242 20 10 FGCDHN CN1CCC(Nc2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180741092 496126093 /nfs/dbraw/zinc/12/60/93/496126093.db2.gz QBAQVKGRUBARBY-VQHVLOKHSA-N 0 3 367.449 3.256 20 10 FGCDHN COc1cccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1[O-] ZINC000181124744 496279693 /nfs/dbraw/zinc/27/96/93/496279693.db2.gz XXSLLBLBVUBKCR-UHFFFAOYSA-N 0 3 355.360 3.453 20 10 FGCDHN COc1cccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1O ZINC000181124744 496279695 /nfs/dbraw/zinc/27/96/95/496279695.db2.gz XXSLLBLBVUBKCR-UHFFFAOYSA-N 0 3 355.360 3.453 20 10 FGCDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000187307611 496386131 /nfs/dbraw/zinc/38/61/31/496386131.db2.gz FYONBAULTKPBQZ-WCQYABFASA-N 0 3 355.276 3.125 20 10 FGCDHN C[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157716884 496536784 /nfs/dbraw/zinc/53/67/84/496536784.db2.gz KTNDNJPNRSOSDB-VLIAUNLRSA-N 0 3 362.420 3.186 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000184909454 496581876 /nfs/dbraw/zinc/58/18/76/496581876.db2.gz RVLNVTHGZTXLFG-YJBOKZPZSA-N 0 3 360.454 3.026 20 10 FGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)CC1CCN(C)CC1 ZINC000273231613 496746383 /nfs/dbraw/zinc/74/63/83/496746383.db2.gz OPOVIGUKDRJLAN-UHFFFAOYSA-N 0 3 369.303 3.235 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CC1CC[NH+](C)CC1 ZINC000273231613 496746390 /nfs/dbraw/zinc/74/63/90/496746390.db2.gz OPOVIGUKDRJLAN-UHFFFAOYSA-N 0 3 369.303 3.235 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273355811 496781655 /nfs/dbraw/zinc/78/16/55/496781655.db2.gz CQOLYMUDEMKHMK-ONGXBYRLSA-N 0 3 358.526 3.299 20 10 FGCDHN Cc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000273429325 496803740 /nfs/dbraw/zinc/80/37/40/496803740.db2.gz VFTKDJQEOMZMNF-MRXNPFEDSA-N 0 3 354.450 3.024 20 10 FGCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c1 ZINC000273619806 496854999 /nfs/dbraw/zinc/85/49/99/496854999.db2.gz YQCZLOBYQKKNPR-CYBMUJFWSA-N 0 3 360.429 3.230 20 10 FGCDHN COc1cccc(CNCc2ccc(C)nc2-n2cc(Cl)cn2)c1O ZINC000190302888 497430127 /nfs/dbraw/zinc/43/01/27/497430127.db2.gz CTUVILDZWBGDBT-UHFFFAOYSA-N 0 3 358.829 3.233 20 10 FGCDHN COc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000272646230 497689593 /nfs/dbraw/zinc/68/95/93/497689593.db2.gz PAGHTWQVKRZXAP-ZIAGYGMSSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000272646230 497689595 /nfs/dbraw/zinc/68/95/95/497689595.db2.gz PAGHTWQVKRZXAP-ZIAGYGMSSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277112464 497745138 /nfs/dbraw/zinc/74/51/38/497745138.db2.gz MRIUYYSYNDMNGD-NSHDSACASA-N 0 3 369.870 3.309 20 10 FGCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000273132101 497802201 /nfs/dbraw/zinc/80/22/01/497802201.db2.gz BWOFFEQRJJRPPJ-INIZCTEOSA-N 0 3 368.477 3.057 20 10 FGCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(N3CCC(CO)CC3)cc1)CC2 ZINC000295877471 497839213 /nfs/dbraw/zinc/83/92/13/497839213.db2.gz HMJXRYFDMOWRHR-FQEVSTJZSA-N 0 3 352.478 3.378 20 10 FGCDHN COCCOC1(C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CCOCC1 ZINC000296462373 498053188 /nfs/dbraw/zinc/05/31/88/498053188.db2.gz NIOQMDLFYAPDGQ-MRXNPFEDSA-N 0 3 363.498 3.134 20 10 FGCDHN COc1cc(O)c(CN(CCN(C)C)Cc2cccs2)cc1OC ZINC000289413274 498136711 /nfs/dbraw/zinc/13/67/11/498136711.db2.gz IDILZFQOSGIKKB-UHFFFAOYSA-N 0 3 350.484 3.035 20 10 FGCDHN C[S@](=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000281927047 498322037 /nfs/dbraw/zinc/32/20/37/498322037.db2.gz ZMPRSZJOCCMUBX-VWLOTQADSA-N 0 3 359.491 3.362 20 10 FGCDHN COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1[O-] ZINC000362014872 498454866 /nfs/dbraw/zinc/45/48/66/498454866.db2.gz VFLKDIJFTLNZKF-UHFFFAOYSA-N 0 3 373.449 3.027 20 10 FGCDHN COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1[O-] ZINC000362014872 498454874 /nfs/dbraw/zinc/45/48/74/498454874.db2.gz VFLKDIJFTLNZKF-UHFFFAOYSA-N 0 3 373.449 3.027 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c1 ZINC000362333045 498498646 /nfs/dbraw/zinc/49/86/46/498498646.db2.gz BJXZXNAUKSGFJL-UHFFFAOYSA-N 0 3 355.438 3.037 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000290308980 498503656 /nfs/dbraw/zinc/50/36/56/498503656.db2.gz ZOGOMWDSJHBSEV-UTKZUKDTSA-N 0 3 359.466 3.444 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000365702178 498604075 /nfs/dbraw/zinc/60/40/75/498604075.db2.gz LMMOGBVTGCPUMD-QFIPXVFZSA-N 0 3 366.461 3.226 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000365702178 498604082 /nfs/dbraw/zinc/60/40/82/498604082.db2.gz LMMOGBVTGCPUMD-QFIPXVFZSA-N 0 3 366.461 3.226 20 10 FGCDHN COc1cccc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1O ZINC000291071456 498782731 /nfs/dbraw/zinc/78/27/31/498782731.db2.gz LTRXPHVYFUCANK-AWEZNQCLSA-N 0 3 355.438 3.171 20 10 FGCDHN COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291071456 498782739 /nfs/dbraw/zinc/78/27/39/498782739.db2.gz LTRXPHVYFUCANK-AWEZNQCLSA-N 0 3 355.438 3.171 20 10 FGCDHN CC[C@H](C)[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366344238 498883195 /nfs/dbraw/zinc/88/31/95/498883195.db2.gz FJYSIYLNMIISCA-LRDDRELGSA-N 0 3 373.419 3.044 20 10 FGCDHN CC[C@@H](C)[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366344450 498883414 /nfs/dbraw/zinc/88/34/14/498883414.db2.gz FJYSIYLNMIISCA-WBMJQRKESA-N 0 3 373.419 3.044 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c([O-])c1 ZINC000283884525 499006008 /nfs/dbraw/zinc/00/60/08/499006008.db2.gz CGQKEJHCNHGOAW-IRXDYDNUSA-N 0 3 355.482 3.480 20 10 FGCDHN COc1cc(Cl)cc(CN2CCCC[C@@H]2Cn2nc(C)nc2C)c1O ZINC000363911568 499050317 /nfs/dbraw/zinc/05/03/17/499050317.db2.gz UQHDBDNGMXLQNM-MRXNPFEDSA-N 0 3 364.877 3.317 20 10 FGCDHN C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000370499051 499226212 /nfs/dbraw/zinc/22/62/12/499226212.db2.gz KJGAWBHRXNCYMI-KRWDZBQOSA-N 0 3 354.450 3.225 20 10 FGCDHN C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000370499051 499226214 /nfs/dbraw/zinc/22/62/14/499226214.db2.gz KJGAWBHRXNCYMI-KRWDZBQOSA-N 0 3 354.450 3.225 20 10 FGCDHN Cc1csc(NC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000368707831 499323968 /nfs/dbraw/zinc/32/39/68/499323968.db2.gz PQWLOCIDJYKGRW-UHFFFAOYSA-N 0 3 372.538 3.365 20 10 FGCDHN CCn1ncc2c1CCC[C@H]2N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000371485141 499332857 /nfs/dbraw/zinc/33/28/57/499332857.db2.gz KSOVMMDOOHZQKS-OXQOHEQNSA-N 0 3 354.498 3.468 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCOc3ccccc3C2)c([O-])c1 ZINC000371870793 499373762 /nfs/dbraw/zinc/37/37/62/499373762.db2.gz UAXLIWWBOITLRQ-MRXNPFEDSA-N 0 3 354.450 3.163 20 10 FGCDHN COC(=O)COc1ccccc1[C@H](C)NCc1ccc2c(c1)CCN2C ZINC000372414857 499432096 /nfs/dbraw/zinc/43/20/96/499432096.db2.gz DJPAXBRJXWPGAK-HNNXBMFYSA-N 0 3 354.450 3.082 20 10 FGCDHN CCOc1cccc(CN2CCC(c3noc(C(F)F)n3)CC2)c1O ZINC000373259117 499460181 /nfs/dbraw/zinc/46/01/81/499460181.db2.gz HUDUESWXFPBSEA-UHFFFAOYSA-N 0 3 353.369 3.491 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC000375300285 499504400 /nfs/dbraw/zinc/50/44/00/499504400.db2.gz YMQYLRKAKBRKAC-OAQYLSRUSA-N 0 3 352.434 3.277 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC000375300285 499504402 /nfs/dbraw/zinc/50/44/02/499504402.db2.gz YMQYLRKAKBRKAC-OAQYLSRUSA-N 0 3 352.434 3.277 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000378382198 499509784 /nfs/dbraw/zinc/50/97/84/499509784.db2.gz YJGWFNDOCKVKEJ-HKUYNNGSSA-N 0 3 359.470 3.003 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000378382198 499509786 /nfs/dbraw/zinc/50/97/86/499509786.db2.gz YJGWFNDOCKVKEJ-HKUYNNGSSA-N 0 3 359.470 3.003 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000377251339 499673891 /nfs/dbraw/zinc/67/38/91/499673891.db2.gz QCXSXDATJIWVRC-CYBMUJFWSA-N 0 3 370.287 3.412 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000377251339 499673892 /nfs/dbraw/zinc/67/38/92/499673892.db2.gz QCXSXDATJIWVRC-CYBMUJFWSA-N 0 3 370.287 3.412 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000377886714 499745423 /nfs/dbraw/zinc/74/54/23/499745423.db2.gz AGLCRHSQKUIPJJ-GFCCVEGCSA-N 0 3 350.260 3.186 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000377886714 499745425 /nfs/dbraw/zinc/74/54/25/499745425.db2.gz AGLCRHSQKUIPJJ-GFCCVEGCSA-N 0 3 350.260 3.186 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(C)[C@H](C)C3)ccc21 ZINC000607689957 506227280 /nfs/dbraw/zinc/22/72/80/506227280.db2.gz USAIYWOLXFRVDG-KDOFPFPSSA-N 0 3 357.498 3.117 20 10 FGCDHN CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779051464 724384828 /nfs/dbraw/zinc/38/48/28/724384828.db2.gz HVGPLUGFXAWDDR-WCQYABFASA-N 0 3 371.275 3.345 20 10 FGCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)c([O-])c1 ZINC000527588723 503844955 /nfs/dbraw/zinc/84/49/55/503844955.db2.gz SPRPCISNOUAMIG-UHFFFAOYSA-N 0 3 372.465 3.395 20 10 FGCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736532059 599099824 /nfs/dbraw/zinc/09/98/24/599099824.db2.gz QCZNYDBIABJJKJ-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736532059 599099827 /nfs/dbraw/zinc/09/98/27/599099827.db2.gz QCZNYDBIABJJKJ-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)CCc2nccs2)c1[O-] ZINC000093843773 700455463 /nfs/dbraw/zinc/45/54/63/700455463.db2.gz BDWSRWFHTDEALH-UHFFFAOYSA-N 0 3 357.273 3.294 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)CCc2nccs2)c1[O-] ZINC000093843773 700455466 /nfs/dbraw/zinc/45/54/66/700455466.db2.gz BDWSRWFHTDEALH-UHFFFAOYSA-N 0 3 357.273 3.294 20 10 FGCDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000160578419 705256992 /nfs/dbraw/zinc/25/69/92/705256992.db2.gz DMBBIACCWLKVRU-CQSZACIVSA-N 0 3 357.420 3.396 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000182360507 705837322 /nfs/dbraw/zinc/83/73/22/705837322.db2.gz XLPPPLVVRVJSET-NSHDSACASA-N 0 3 371.405 3.248 20 10 FGCDHN CC1CCN(c2ccc(CN[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000182909895 705868480 /nfs/dbraw/zinc/86/84/80/705868480.db2.gz HVDUHVQEGTUNAY-WOJBJXKFSA-N 0 3 364.555 3.368 20 10 FGCDHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000237473603 713592030 /nfs/dbraw/zinc/59/20/30/713592030.db2.gz COMRVAQXHVJMAQ-DZGCQCFKSA-N 0 3 350.459 3.242 20 10 FGCDHN CCOc1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c(O)c1 ZINC000725848805 722424754 /nfs/dbraw/zinc/42/47/54/722424754.db2.gz JHHVNZSKDJEKJU-UHFFFAOYSA-N 0 3 369.870 3.008 20 10 FGCDHN CCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000725848805 722424755 /nfs/dbraw/zinc/42/47/55/722424755.db2.gz JHHVNZSKDJEKJU-UHFFFAOYSA-N 0 3 369.870 3.008 20 10 FGCDHN COCCN(C)CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000731473846 722475744 /nfs/dbraw/zinc/47/57/44/722475744.db2.gz CXLRYQWOQZEEGJ-UHFFFAOYSA-N 0 3 363.889 3.056 20 10 FGCDHN O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc([O-])cs1 ZINC000753502109 722901856 /nfs/dbraw/zinc/90/18/56/722901856.db2.gz BLVQANMKRRHGJR-CGTJXYLNSA-N 0 3 356.491 3.484 20 10 FGCDHN O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc([O-])cs1 ZINC000753502109 722901858 /nfs/dbraw/zinc/90/18/58/722901858.db2.gz BLVQANMKRRHGJR-CGTJXYLNSA-N 0 3 356.491 3.484 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)c(F)cc1[O-] ZINC000756647830 722968220 /nfs/dbraw/zinc/96/82/20/722968220.db2.gz VPMJGSVWNODCAJ-WCBMZHEXSA-N 0 3 354.223 3.225 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCc2cccc(C)n2)c1[O-] ZINC000793203651 723410365 /nfs/dbraw/zinc/41/03/65/723410365.db2.gz XGBFJAJZUOWNFV-UHFFFAOYSA-N 0 3 351.244 3.199 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC000793599668 723452984 /nfs/dbraw/zinc/45/29/84/723452984.db2.gz IAEZYOQFWVKRIW-NSHDSACASA-N 0 3 358.866 3.447 20 10 FGCDHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])CCN1c1cccc(Br)c1 ZINC000775034269 723954534 /nfs/dbraw/zinc/95/45/34/723954534.db2.gz PGHDSZPILIQUDZ-OAHLLOKOSA-N 0 3 361.239 3.050 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccccc1[O-] ZINC000775482802 723994568 /nfs/dbraw/zinc/99/45/68/723994568.db2.gz BKJMLIKAWMWMDI-MSOLQXFVSA-N 0 3 359.539 3.483 20 10 FGCDHN C[C@@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000775832091 724068775 /nfs/dbraw/zinc/06/87/75/724068775.db2.gz XOHAKJKAAMKXTF-UKRRQHHQSA-N 0 3 357.420 3.204 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H](O)C(F)(F)F ZINC000776252936 724123842 /nfs/dbraw/zinc/12/38/42/724123842.db2.gz GOLNVAAGZSKXHG-ZYHUDNBSSA-N 0 3 356.182 3.255 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788755906 725086000 /nfs/dbraw/zinc/08/60/00/725086000.db2.gz SYNFYPOBAUCDCI-UONOGXRCSA-N 0 3 359.436 3.088 20 10 FGCDHN CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808676733 725213109 /nfs/dbraw/zinc/21/31/09/725213109.db2.gz PZSWMRBCKOOTQL-ZDUSSCGKSA-N 0 3 374.934 3.209 20 10 FGCDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712010 725214492 /nfs/dbraw/zinc/21/44/92/725214492.db2.gz YNOYXTAWHOECRJ-CJNGLKHVSA-N 0 3 356.894 3.182 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c([O-])c1 ZINC000809720323 725262470 /nfs/dbraw/zinc/26/24/70/725262470.db2.gz DCYWLKXRIYBICQ-INIZCTEOSA-N 0 3 350.459 3.280 20 10 FGCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)c([O-])c1 ZINC000809720323 725262472 /nfs/dbraw/zinc/26/24/72/725262472.db2.gz DCYWLKXRIYBICQ-INIZCTEOSA-N 0 3 350.459 3.280 20 10 FGCDHN CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809734356 725263513 /nfs/dbraw/zinc/26/35/13/725263513.db2.gz DSYAOFSVHIWKRN-UHFFFAOYSA-N 0 3 360.329 3.157 20 10 FGCDHN CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809734356 725263515 /nfs/dbraw/zinc/26/35/15/725263515.db2.gz DSYAOFSVHIWKRN-UHFFFAOYSA-N 0 3 360.329 3.157 20 10 FGCDHN Cc1nccn1CCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000809752361 725264803 /nfs/dbraw/zinc/26/48/03/725264803.db2.gz BKVCHPHWDVDMGM-UHFFFAOYSA-N 0 3 352.276 3.490 20 10 FGCDHN Cc1nccn1CCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000809752361 725264804 /nfs/dbraw/zinc/26/48/04/725264804.db2.gz BKVCHPHWDVDMGM-UHFFFAOYSA-N 0 3 352.276 3.490 20 10 FGCDHN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000810163593 725293897 /nfs/dbraw/zinc/29/38/97/725293897.db2.gz ZPMQBQAGSBDOFR-GFCCVEGCSA-N 0 3 359.308 3.373 20 10 FGCDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000816625351 727182080 /nfs/dbraw/zinc/18/20/80/727182080.db2.gz BCYIHGVQHDAJKF-LLVKDONJSA-N 0 3 357.292 3.105 20 10 FGCDHN Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1ccccc1[O-] ZINC000825133735 729372541 /nfs/dbraw/zinc/37/25/41/729372541.db2.gz MGLLSHVUESQVQC-CQSZACIVSA-N 0 3 364.283 3.404 20 10 FGCDHN C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000834585221 729816394 /nfs/dbraw/zinc/81/63/94/729816394.db2.gz JKPKRRJBCHXMCP-YOEHRIQHSA-N 0 3 360.889 3.021 20 10 FGCDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(C)n1 ZINC000840718943 730165669 /nfs/dbraw/zinc/16/56/69/730165669.db2.gz FWIZIQFDFDMZAK-ZDUSSCGKSA-N 0 3 350.413 3.341 20 10 FGCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000841756164 730270957 /nfs/dbraw/zinc/27/09/57/730270957.db2.gz UMBDVFPJLSISAY-YWZLYKJASA-N 0 3 360.885 3.333 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846205698 730936442 /nfs/dbraw/zinc/93/64/42/730936442.db2.gz KBQOYPJFHSAISW-VXGBXAGGSA-N 0 3 367.287 3.125 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccnc2)c1[O-] ZINC000848514434 731173732 /nfs/dbraw/zinc/17/37/32/731173732.db2.gz OHISNBLJZNAKSU-NSHDSACASA-N 0 3 354.248 3.101 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1[O-] ZINC000848525085 731175185 /nfs/dbraw/zinc/17/51/85/731175185.db2.gz MSEOQJBWNFNSBU-ZYHUDNBSSA-N 0 3 355.276 3.051 20 10 FGCDHN CCc1cccc(CN2CCN(c3ncnc4sccc43)CC2)c1O ZINC000848880321 731217302 /nfs/dbraw/zinc/21/73/02/731217302.db2.gz FACUEZFTHCGAIH-UHFFFAOYSA-N 0 3 354.479 3.282 20 10 FGCDHN COCc1csc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000850323655 731343029 /nfs/dbraw/zinc/34/30/29/731343029.db2.gz TUPNRUPWMFVGRZ-UHFFFAOYSA-N 0 3 368.449 3.299 20 10 FGCDHN CCN(CC)c1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1F ZINC000852805056 731637009 /nfs/dbraw/zinc/63/70/09/731637009.db2.gz NQLTYUGRKHPGGD-UHFFFAOYSA-N 0 3 361.486 3.309 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN(C)CC(F)F)c1[O-] ZINC000858597759 732229869 /nfs/dbraw/zinc/22/98/69/732229869.db2.gz WKJKSILHTBJVRR-JTQLQIEISA-N 0 3 351.235 3.311 20 10 FGCDHN O=c1[nH]c2ccc(CNCc3ccc(N4CCSCC4)cc3)cc2[nH]1 ZINC000882901486 737502526 /nfs/dbraw/zinc/50/25/26/737502526.db2.gz JLNFCFIILRERGV-UHFFFAOYSA-N 0 3 354.479 3.112 20 10 FGCDHN CN1CCN(c2ccc(CNCc3ncc(C(F)(F)F)s3)cc2)CC1 ZINC000883283864 737546794 /nfs/dbraw/zinc/54/67/94/737546794.db2.gz WETHBACZTRSSNA-UHFFFAOYSA-N 0 3 370.444 3.204 20 10 FGCDHN Cc1cnc(Cl)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891242264 739886096 /nfs/dbraw/zinc/88/60/96/739886096.db2.gz DKZNNBLEBLJZRP-KRWDZBQOSA-N 0 3 360.889 3.142 20 10 FGCDHN CC[C@@H](CC(F)(F)F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248351 739886426 /nfs/dbraw/zinc/88/64/26/739886426.db2.gz LQTIWKLDVCLQQW-XJKSGUPXSA-N 0 3 359.436 3.450 20 10 FGCDHN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN(C2CCC2)C1 ZINC000908356871 744281893 /nfs/dbraw/zinc/28/18/93/744281893.db2.gz CLIDOSUBIKISEX-LBPRGKRZSA-N 0 3 360.479 3.259 20 10 FGCDHN CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779017524 724381476 /nfs/dbraw/zinc/38/14/76/724381476.db2.gz KRXNNZNOSWIKDH-DCBWTQNWSA-N 0 3 369.303 3.419 20 10 FGCDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(N(C)C)cc3)CC2)c(C)o1 ZINC000093009150 494807788 /nfs/dbraw/zinc/80/77/88/494807788.db2.gz WEWDUUDRWZIGDP-UHFFFAOYSA-N 0 3 355.482 3.357 20 10 FGCDHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093454460 494892740 /nfs/dbraw/zinc/89/27/40/494892740.db2.gz RJVISTZDCGXRKG-OAQYLSRUSA-N 0 3 368.525 3.356 20 10 FGCDHN CCNC(=O)COc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000124901092 495361878 /nfs/dbraw/zinc/36/18/78/495361878.db2.gz JLZRXKDAVYJJQO-INIZCTEOSA-N 0 3 355.482 3.118 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1[O-] ZINC000120904673 495482128 /nfs/dbraw/zinc/48/21/28/495482128.db2.gz UMCAFHVZWVBPNS-UHFFFAOYSA-N 0 3 352.438 3.213 20 10 FGCDHN O=C(NCCc1cccs1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180009134 495821276 /nfs/dbraw/zinc/82/12/76/495821276.db2.gz IODXTMJBKUIUPL-UHFFFAOYSA-N 0 3 362.470 3.164 20 10 FGCDHN COc1ccc(O)c(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1 ZINC000180026917 495829059 /nfs/dbraw/zinc/82/90/59/495829059.db2.gz SARXHMKICCFXAN-UHFFFAOYSA-N 0 3 358.438 3.005 20 10 FGCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1 ZINC000151571612 495881906 /nfs/dbraw/zinc/88/19/06/495881906.db2.gz HQXIBCNDLNITMZ-OAHLLOKOSA-N 0 3 354.498 3.153 20 10 FGCDHN Cc1cc(Br)cc(CN2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180324960 495952211 /nfs/dbraw/zinc/95/22/11/495952211.db2.gz IKBUIKFEHHQUCX-UHFFFAOYSA-N 0 3 369.303 3.153 20 10 FGCDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000151881447 495980288 /nfs/dbraw/zinc/98/02/88/495980288.db2.gz XMYSFBDQLBGHQI-HUUCEWRRSA-N 0 3 361.511 3.073 20 10 FGCDHN COc1cc([C@H](C)NCc2ccc(N(C)C)cc2)ccc1S(C)(=O)=O ZINC000160540160 495987096 /nfs/dbraw/zinc/98/70/96/495987096.db2.gz MICXFIZTLBQUKY-AWEZNQCLSA-N 0 3 362.495 3.016 20 10 FGCDHN Cc1cccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1O ZINC000181785760 496543872 /nfs/dbraw/zinc/54/38/72/496543872.db2.gz XOBYCKJJLGVFBL-UHFFFAOYSA-N 0 3 374.506 3.165 20 10 FGCDHN Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1[O-] ZINC000181785760 496543873 /nfs/dbraw/zinc/54/38/73/496543873.db2.gz XOBYCKJJLGVFBL-UHFFFAOYSA-N 0 3 374.506 3.165 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904060 496579219 /nfs/dbraw/zinc/57/92/19/496579219.db2.gz HTNAPOWDIDQJLR-OXJNMPFZSA-N 0 3 356.466 3.125 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904060 496579223 /nfs/dbraw/zinc/57/92/23/496579223.db2.gz HTNAPOWDIDQJLR-OXJNMPFZSA-N 0 3 356.466 3.125 20 10 FGCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109543 496664838 /nfs/dbraw/zinc/66/48/38/496664838.db2.gz CUOCHUGVGZPSOM-STQMWFEESA-N 0 3 366.458 3.193 20 10 FGCDHN COc1cc(O)c(CN[C@H](Cc2nc(C)no2)c2ccccc2)cc1OC ZINC000277581140 496819678 /nfs/dbraw/zinc/81/96/78/496819678.db2.gz UBHJLRCWJMGESQ-MRXNPFEDSA-N 0 3 369.421 3.174 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000278372696 497091391 /nfs/dbraw/zinc/09/13/91/497091391.db2.gz ZSXXVPZNZBEOOR-DZGCQCFKSA-N 0 3 350.459 3.278 20 10 FGCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278894998 497259138 /nfs/dbraw/zinc/25/91/38/497259138.db2.gz YVQPYOIXZZFCJX-CHWSQXEVSA-N 0 3 360.329 3.376 20 10 FGCDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000194260770 497617299 /nfs/dbraw/zinc/61/72/99/497617299.db2.gz VBHJTFVHRPCDTQ-LAUBAEHRSA-N 0 3 355.526 3.468 20 10 FGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555515 497661432 /nfs/dbraw/zinc/66/14/32/497661432.db2.gz ZHEMRKSWYNSLGW-MXFAVLBMSA-N 0 3 366.461 3.138 20 10 FGCDHN CC(=O)c1cc(F)cc(CN2CCC3(C[C@@H]3c3nnc(C)o3)CC2)c1O ZINC000364204771 497840049 /nfs/dbraw/zinc/84/00/49/497840049.db2.gz DKCJTXOLQQNBNK-MRXNPFEDSA-N 0 3 359.401 3.195 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1[O-] ZINC000284624571 497846877 /nfs/dbraw/zinc/84/68/77/497846877.db2.gz MTMYQKUCGRETMY-KSSFIOAISA-N 0 3 365.861 3.451 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292070195 497865725 /nfs/dbraw/zinc/86/57/25/497865725.db2.gz KZWIWFDMJSFJKT-CQSZACIVSA-N 0 3 355.276 3.035 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292178143 497911819 /nfs/dbraw/zinc/91/18/19/497911819.db2.gz OKYJGSSMTPXPHP-QGZVFWFLSA-N 0 3 367.493 3.076 20 10 FGCDHN CC[C@H]([NH2+]CCC(=O)N1CCOc2ccccc2C1)c1ccccc1[O-] ZINC000364367921 497924659 /nfs/dbraw/zinc/92/46/59/497924659.db2.gz YPMWCQQFGZYKSY-SFHVURJKSA-N 0 3 354.450 3.244 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000364628097 498057594 /nfs/dbraw/zinc/05/75/94/498057594.db2.gz DOCZRAYBXHKVFC-CQSZACIVSA-N 0 3 368.433 3.477 20 10 FGCDHN COC1CCN(c2ccc(CN3CCC4(CC3)OCCCO4)cc2)CC1 ZINC000296871873 498231359 /nfs/dbraw/zinc/23/13/59/498231359.db2.gz ZTXMBKXAJVMUDG-UHFFFAOYSA-N 0 3 360.498 3.031 20 10 FGCDHN C[C@](CO)([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000289715939 498261457 /nfs/dbraw/zinc/26/14/57/498261457.db2.gz PBZJXOQRWWXIES-MRXNPFEDSA-N 0 3 354.219 3.291 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(OC3CCOCC3)CC2)c1O ZINC000360342356 498266767 /nfs/dbraw/zinc/26/67/67/498266767.db2.gz JMRDVJYBVOSQHC-UHFFFAOYSA-N 0 3 355.862 3.214 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1[O-] ZINC000281806025 498276099 /nfs/dbraw/zinc/27/60/99/498276099.db2.gz YQEPGRKQHHRDAC-NEPJUHHUSA-N 0 3 355.276 3.125 20 10 FGCDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000360963631 498326659 /nfs/dbraw/zinc/32/66/59/498326659.db2.gz YRFAWWHBXJRVLE-GOTSBHOMSA-N 0 3 365.521 3.231 20 10 FGCDHN CN(C)c1ccc(C2=CCN(CCC(=O)Nc3cc(N)ccc3F)C2)cc1 ZINC000361111557 498346795 /nfs/dbraw/zinc/34/67/95/498346795.db2.gz YMMWYLCBVFSCFA-UHFFFAOYSA-N 0 3 368.456 3.202 20 10 FGCDHN Cn1cc(CNC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000361600873 498411530 /nfs/dbraw/zinc/41/15/30/498411530.db2.gz ZQKGXFGVMZJYSZ-UHFFFAOYSA-N 0 3 354.376 3.077 20 10 FGCDHN O=S1(=O)CC[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000293790046 498490093 /nfs/dbraw/zinc/49/00/93/498490093.db2.gz QOGAPJUAZZDDIP-HKUYNNGSSA-N 0 3 359.491 3.090 20 10 FGCDHN CN1CC[NH+](CC2(C)CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000366787365 499073971 /nfs/dbraw/zinc/07/39/71/499073971.db2.gz GFHMVYVPKOJKPB-UHFFFAOYSA-N 0 3 369.912 3.034 20 10 FGCDHN O=C1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H](C2CC2)N1 ZINC000366925187 499116990 /nfs/dbraw/zinc/11/69/90/499116990.db2.gz KGNSSAXRFUWUNT-SIKLNZKXSA-N 0 3 366.461 3.118 20 10 FGCDHN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000370428094 499220151 /nfs/dbraw/zinc/22/01/51/499220151.db2.gz LYIUPDRORWZETK-AWEZNQCLSA-N 0 3 364.442 3.000 20 10 FGCDHN CCOc1cccc(CN2CCC(O)(Cc3ccccc3OC)CC2)c1O ZINC000370665641 499241760 /nfs/dbraw/zinc/24/17/60/499241760.db2.gz CNUSNZHLUAUEHF-UHFFFAOYSA-N 0 3 371.477 3.369 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(O)(Cc3ccccc3OC)CC2)c1[O-] ZINC000370665641 499241762 /nfs/dbraw/zinc/24/17/62/499241762.db2.gz CNUSNZHLUAUEHF-UHFFFAOYSA-N 0 3 371.477 3.369 20 10 FGCDHN COc1cccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1[O-] ZINC000371334931 499312068 /nfs/dbraw/zinc/31/20/68/499312068.db2.gz HVCBUYUEXQMCFF-UHFFFAOYSA-N 0 3 366.259 3.197 20 10 FGCDHN COc1cccc(CN2CCC(n3cc(Br)cn3)CC2)c1O ZINC000371334931 499312070 /nfs/dbraw/zinc/31/20/70/499312070.db2.gz HVCBUYUEXQMCFF-UHFFFAOYSA-N 0 3 366.259 3.197 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000371378625 499317188 /nfs/dbraw/zinc/31/71/88/499317188.db2.gz JPRWQMHUSULLAM-UHFFFAOYSA-N 0 3 359.470 3.184 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000371378625 499317189 /nfs/dbraw/zinc/31/71/89/499317189.db2.gz JPRWQMHUSULLAM-UHFFFAOYSA-N 0 3 359.470 3.184 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000368753789 499328021 /nfs/dbraw/zinc/32/80/21/499328021.db2.gz MCMHZWXEPROYHM-QEORTHHSSA-N 0 3 370.287 3.452 20 10 FGCDHN CCn1ncc2c1CCC[C@@H]2N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000371485142 499333031 /nfs/dbraw/zinc/33/30/31/499333031.db2.gz KSOVMMDOOHZQKS-UZLBHIALSA-N 0 3 354.498 3.468 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000368794222 499333334 /nfs/dbraw/zinc/33/33/34/499333334.db2.gz AIHFLPZBYZGMCH-CQSZACIVSA-N 0 3 360.479 3.371 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)ccc21 ZINC000371534246 499339265 /nfs/dbraw/zinc/33/92/65/499339265.db2.gz NDDXUCTXOBSANR-UTKZUKDTSA-N 0 3 369.509 3.071 20 10 FGCDHN Cn1cccc1C(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000368859223 499340758 /nfs/dbraw/zinc/34/07/58/499340758.db2.gz MXAIYMBPDRVGLU-UHFFFAOYSA-N 0 3 363.461 3.278 20 10 FGCDHN CC[C@@H]([NH2+]C1CCN(c2cc(C(=O)OC)ccn2)CC1)c1ccccc1[O-] ZINC000373461718 499471207 /nfs/dbraw/zinc/47/12/07/499471207.db2.gz OEHGYJDLCKQJLC-GOSISDBHSA-N 0 3 369.465 3.284 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000376061530 499579792 /nfs/dbraw/zinc/57/97/92/499579792.db2.gz IWPVSUKTPDGLQO-KHIZAZIESA-N 0 3 359.426 3.232 20 10 FGCDHN CN1CCN([C@H]2CCCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000377619029 499710913 /nfs/dbraw/zinc/71/09/13/499710913.db2.gz CVMSKJDTTSLXNV-IBGZPJMESA-N 0 3 353.510 3.147 20 10 FGCDHN CN1CCN([C@H]2CCCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000377619029 499710914 /nfs/dbraw/zinc/71/09/14/499710914.db2.gz CVMSKJDTTSLXNV-IBGZPJMESA-N 0 3 353.510 3.147 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000377699471 499722073 /nfs/dbraw/zinc/72/20/73/499722073.db2.gz MNJXWXKHESFXBH-VWKPWSFCSA-N 0 3 372.513 3.210 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000377699471 499722074 /nfs/dbraw/zinc/72/20/74/499722074.db2.gz MNJXWXKHESFXBH-VWKPWSFCSA-N 0 3 372.513 3.210 20 10 FGCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820120808 607004734 /nfs/dbraw/zinc/00/47/34/607004734.db2.gz KBGYDSHKGOLISO-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820120808 607004736 /nfs/dbraw/zinc/00/47/36/607004736.db2.gz KBGYDSHKGOLISO-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820120808 607004738 /nfs/dbraw/zinc/00/47/38/607004738.db2.gz KBGYDSHKGOLISO-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820120808 607004739 /nfs/dbraw/zinc/00/47/39/607004739.db2.gz KBGYDSHKGOLISO-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000821199129 607111267 /nfs/dbraw/zinc/11/12/67/607111267.db2.gz ZICZRNKIFZTHNM-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000821199129 607111269 /nfs/dbraw/zinc/11/12/69/607111269.db2.gz ZICZRNKIFZTHNM-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000821199129 607111270 /nfs/dbraw/zinc/11/12/70/607111270.db2.gz ZICZRNKIFZTHNM-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000821199129 607111272 /nfs/dbraw/zinc/11/12/72/607111272.db2.gz ZICZRNKIFZTHNM-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN Cc1cc(O)c(C[N@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000826271359 608488351 /nfs/dbraw/zinc/48/83/51/608488351.db2.gz ODYCSTDKLRNCBL-UHFFFAOYSA-N 0 3 361.449 3.478 20 10 FGCDHN Cc1cc(O)c(C[N@@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1C ZINC000826271359 608488354 /nfs/dbraw/zinc/48/83/54/608488354.db2.gz ODYCSTDKLRNCBL-UHFFFAOYSA-N 0 3 361.449 3.478 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccccc2)c1[O-] ZINC000114508194 700578393 /nfs/dbraw/zinc/57/83/93/700578393.db2.gz PQOBPCYLTFTGCH-KRWDZBQOSA-N 0 3 366.255 3.161 20 10 FGCDHN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184854656 712677405 /nfs/dbraw/zinc/67/74/05/712677405.db2.gz GTSCJGKWGMAHLU-CJNGLKHVSA-N 0 3 350.459 3.317 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1[O-] ZINC000779060080 724385805 /nfs/dbraw/zinc/38/58/05/724385805.db2.gz CWHNGADHQAQQDV-WCQYABFASA-N 0 3 350.260 3.325 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000802655240 724398324 /nfs/dbraw/zinc/39/83/24/724398324.db2.gz WWMHCRLZTUABIH-IBGZPJMESA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000802655240 724398328 /nfs/dbraw/zinc/39/83/28/724398328.db2.gz WWMHCRLZTUABIH-IBGZPJMESA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(Br)cc(CN[C@H](CO)c2ccc(F)cc2)c1O ZINC000734850675 722510691 /nfs/dbraw/zinc/51/06/91/722510691.db2.gz LZLCMDRSYJFYDD-CQSZACIVSA-N 0 3 370.218 3.126 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756434719 722964516 /nfs/dbraw/zinc/96/45/16/722964516.db2.gz OXBNQXMZAGHLIJ-LRDDRELGSA-N 0 3 363.454 3.414 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)c1ccccc1[O-] ZINC000760014600 723033851 /nfs/dbraw/zinc/03/38/51/723033851.db2.gz DREJUKZKBSZLBP-GOSISDBHSA-N 0 3 363.479 3.053 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000789756914 723070603 /nfs/dbraw/zinc/07/06/03/723070603.db2.gz ITPOYDYMRGQXPL-UHFFFAOYSA-N 0 3 354.288 3.496 20 10 FGCDHN C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000794826553 723548020 /nfs/dbraw/zinc/54/80/20/723548020.db2.gz CJUDXMJUUYMREO-PSLIRLAXSA-N 0 3 367.218 3.171 20 10 FGCDHN Cc1ccc([C@H]2CSCCN2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768445840 723658002 /nfs/dbraw/zinc/65/80/02/723658002.db2.gz JSTKHUCORZYGCV-IEBWSBKVSA-N 0 3 357.475 3.417 20 10 FGCDHN Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c([O-])c1O ZINC000770495847 723715137 /nfs/dbraw/zinc/71/51/37/723715137.db2.gz YWUIDTHMHDLTGI-UHFFFAOYSA-N 0 3 364.829 3.252 20 10 FGCDHN CN1CCN(c2ccc(CN3CCO[C@@H](c4ccsc4)C3)cc2)CC1 ZINC000775726746 724031770 /nfs/dbraw/zinc/03/17/70/724031770.db2.gz YQNNTEQURVURAR-HXUWFJFHSA-N 0 3 357.523 3.073 20 10 FGCDHN COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000775998508 724095795 /nfs/dbraw/zinc/09/57/95/724095795.db2.gz FQBUEOPFCMKFPG-VXGBXAGGSA-N 0 3 356.850 3.011 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000776250304 724123805 /nfs/dbraw/zinc/12/38/05/724123805.db2.gz GJZCQORPLXZDNK-OAHLLOKOSA-N 0 3 370.287 3.281 20 10 FGCDHN COc1cc(Cl)cc(CNCc2cc3ccccc3n(C)c2=O)c1O ZINC000814173553 726944749 /nfs/dbraw/zinc/94/47/49/726944749.db2.gz SBHNWCDIMJPFSO-UHFFFAOYSA-N 0 3 358.825 3.196 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c1[O-] ZINC000814173553 726944750 /nfs/dbraw/zinc/94/47/50/726944750.db2.gz SBHNWCDIMJPFSO-UHFFFAOYSA-N 0 3 358.825 3.196 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000816662665 727187033 /nfs/dbraw/zinc/18/70/33/727187033.db2.gz UYYVYPYDUCVBEX-QGZVFWFLSA-N 0 3 372.303 3.394 20 10 FGCDHN CS(=O)(=O)CCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000818350560 727308887 /nfs/dbraw/zinc/30/88/87/727308887.db2.gz LKTSAAVGYGELMU-LJQANCHMSA-N 0 3 361.507 3.481 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN(C)[C@H]2CCCCNC2=O)cc1 ZINC000823422998 729278829 /nfs/dbraw/zinc/27/88/29/729278829.db2.gz APVZOAXZKHFJOD-IBGZPJMESA-N 0 3 357.523 3.485 20 10 FGCDHN CN1CCN([C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)c2cccs2)CC1 ZINC000834487773 729807481 /nfs/dbraw/zinc/80/74/81/729807481.db2.gz LQPDVYAKTZBTQO-SJORKVTESA-N 0 3 357.523 3.019 20 10 FGCDHN CC[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccsc1 ZINC000834585076 729816229 /nfs/dbraw/zinc/81/62/29/729816229.db2.gz FKCSEHAVFDZEBE-GOSISDBHSA-N 0 3 364.536 3.224 20 10 FGCDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C)n1 ZINC000840725628 730166377 /nfs/dbraw/zinc/16/63/77/730166377.db2.gz BSSNYIQXFLZAJE-KGLIPLIRSA-N 0 3 350.413 3.341 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]Cc2cc(C)cc(N)c2)c1[O-] ZINC000841071266 730207759 /nfs/dbraw/zinc/20/77/59/730207759.db2.gz LPTBXBGDYWPFBC-UHFFFAOYSA-N 0 3 351.244 3.344 20 10 FGCDHN Fc1cc(CN2CCSC[C@H]2C2CCC2)ccc1N1CCOCC1 ZINC000841894617 730283441 /nfs/dbraw/zinc/28/34/41/730283441.db2.gz ZZARCQXDFYLIJO-IBGZPJMESA-N 0 3 350.503 3.380 20 10 FGCDHN CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848513872 731173841 /nfs/dbraw/zinc/17/38/41/731173841.db2.gz HWJMCIXNKQTNCQ-AAEUAGOBSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)c1[O-] ZINC000848524584 731175160 /nfs/dbraw/zinc/17/51/60/731175160.db2.gz HDDQHCMOCQLANC-GHMZBOCLSA-N 0 3 366.259 3.235 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)c1[O-] ZINC000848528851 731176092 /nfs/dbraw/zinc/17/60/92/731176092.db2.gz ILAZUYZUZIMKLH-MFKMUULPSA-N 0 3 370.243 3.449 20 10 FGCDHN CCc1nc([C@H](C)N[C@@H](C)c2cc(Br)cc(OC)c2O)n[nH]1 ZINC000848534995 731177300 /nfs/dbraw/zinc/17/73/00/731177300.db2.gz AALQVUZAPFFKLU-IUCAKERBSA-N 0 3 369.263 3.256 20 10 FGCDHN COc1cc(Br)cc([C@H](C)NC[C@H](OC)C(F)(F)F)c1O ZINC000848540878 731178389 /nfs/dbraw/zinc/17/83/89/731178389.db2.gz JDCCQBQJHXVQFE-CPCISQLKSA-N 0 3 372.181 3.391 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](OC)C(F)(F)F)c1[O-] ZINC000848540878 731178391 /nfs/dbraw/zinc/17/83/91/731178391.db2.gz JDCCQBQJHXVQFE-CPCISQLKSA-N 0 3 372.181 3.391 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCC2SCCS2)c1[O-] ZINC000850407761 731353348 /nfs/dbraw/zinc/35/33/48/731353348.db2.gz PQUFLSBRLABDJK-UHFFFAOYSA-N 0 3 364.330 3.449 20 10 FGCDHN CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])[C@H]1CCOC1 ZINC000850484716 731361736 /nfs/dbraw/zinc/36/17/36/731361736.db2.gz OXLFGKJYFYUXIP-TYNCELHUSA-N 0 3 358.276 3.165 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1[O-] ZINC000872111854 735589706 /nfs/dbraw/zinc/58/97/06/735589706.db2.gz GSVZTFWZEYQHBP-RYUDHWBXSA-N 0 3 356.260 3.457 20 10 FGCDHN COC(=O)c1scc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879649753 737022763 /nfs/dbraw/zinc/02/27/63/737022763.db2.gz FUTRRZKCNGRRKE-RYUDHWBXSA-N 0 3 362.451 3.227 20 10 FGCDHN CCN1CCN(c2ccc(CNCc3ccc(Cl)cn3)cc2F)CC1 ZINC000885972945 739205042 /nfs/dbraw/zinc/20/50/42/739205042.db2.gz MHJUEPNMMPTYGX-UHFFFAOYSA-N 0 3 362.880 3.306 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2coc(C(F)F)c2)N(C)C)cc1 ZINC000891247206 739885859 /nfs/dbraw/zinc/88/58/59/739885859.db2.gz RKHBHTAIMNFQRR-OAHLLOKOSA-N 0 3 351.397 3.316 20 10 FGCDHN Cc1noc2ncc(CNCc3ccc(N4CCSCC4)cc3)cc12 ZINC000894189654 742250769 /nfs/dbraw/zinc/25/07/69/742250769.db2.gz CWTVDHWYUDHUFO-UHFFFAOYSA-N 0 3 354.479 3.374 20 10 FGCDHN C[NH+](C)CC[C@@H](NCc1ccc(Br)cc1[O-])c1cccnc1 ZINC000896716379 742588544 /nfs/dbraw/zinc/58/85/44/742588544.db2.gz IAGSMXAQCVFIFE-MRXNPFEDSA-N 0 3 364.287 3.332 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1[O-] ZINC000779030643 724382467 /nfs/dbraw/zinc/38/24/67/724382467.db2.gz CTLIMRWLWSQLDR-LLVKDONJSA-N 0 3 355.276 3.173 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000093134353 494832178 /nfs/dbraw/zinc/83/21/78/494832178.db2.gz FPQUDEMERFMSCX-MRXNPFEDSA-N 0 3 356.470 3.098 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000093134353 494832182 /nfs/dbraw/zinc/83/21/82/494832182.db2.gz FPQUDEMERFMSCX-MRXNPFEDSA-N 0 3 356.470 3.098 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000121772992 494856715 /nfs/dbraw/zinc/85/67/15/494856715.db2.gz FUWSHFFLPMMJQH-INIZCTEOSA-N 0 3 352.438 3.213 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000121772992 494856719 /nfs/dbraw/zinc/85/67/19/494856719.db2.gz FUWSHFFLPMMJQH-INIZCTEOSA-N 0 3 352.438 3.213 20 10 FGCDHN OCC1CCN(c2ccc(CNCC3=Cc4ccccc4OC3)cc2)CC1 ZINC000102424256 495136321 /nfs/dbraw/zinc/13/63/21/495136321.db2.gz PYBGQRHQZMHZNY-UHFFFAOYSA-N 0 3 364.489 3.461 20 10 FGCDHN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179529597 495628725 /nfs/dbraw/zinc/62/87/25/495628725.db2.gz ZWAQSCNLXSYYFA-GOSISDBHSA-N 0 3 368.477 3.390 20 10 FGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179529597 495628731 /nfs/dbraw/zinc/62/87/31/495628731.db2.gz ZWAQSCNLXSYYFA-GOSISDBHSA-N 0 3 368.477 3.390 20 10 FGCDHN CC[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000155236427 495887381 /nfs/dbraw/zinc/88/73/81/495887381.db2.gz BZPOCAYFVROOLH-HXUWFJFHSA-N 0 3 368.477 3.333 20 10 FGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cnc(C)nc3C)cc2F)CC1 ZINC000155276972 495901255 /nfs/dbraw/zinc/90/12/55/495901255.db2.gz PVVPIRLAONHBSD-HNNXBMFYSA-N 0 3 371.504 3.225 20 10 FGCDHN Oc1ccccc1CN(Cc1ccc(-n2ccnc2)nc1)C[C@H]1CCCO1 ZINC000177153377 495950582 /nfs/dbraw/zinc/95/05/82/495950582.db2.gz RSLWXQOLNQOHEU-LJQANCHMSA-N 0 3 364.449 3.154 20 10 FGCDHN COc1cc([O-])c(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381308 495955667 /nfs/dbraw/zinc/95/56/67/495955667.db2.gz HXPZUZSXDALKTA-AWEZNQCLSA-N 0 3 368.437 3.183 20 10 FGCDHN COc1cc([O-])c(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381308 495955672 /nfs/dbraw/zinc/95/56/72/495955672.db2.gz HXPZUZSXDALKTA-AWEZNQCLSA-N 0 3 368.437 3.183 20 10 FGCDHN COc1cc(O)c(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381308 495955678 /nfs/dbraw/zinc/95/56/78/495955678.db2.gz HXPZUZSXDALKTA-AWEZNQCLSA-N 0 3 368.437 3.183 20 10 FGCDHN COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)ccc1S(C)(=O)=O ZINC000160540292 495987161 /nfs/dbraw/zinc/98/71/61/495987161.db2.gz MICXFIZTLBQUKY-CQSZACIVSA-N 0 3 362.495 3.016 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000181120573 496278102 /nfs/dbraw/zinc/27/81/02/496278102.db2.gz GBIIWNZMGLDFIQ-UHFFFAOYSA-N 0 3 355.360 3.453 20 10 FGCDHN COc1ccc(O)c(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000181120573 496278107 /nfs/dbraw/zinc/27/81/07/496278107.db2.gz GBIIWNZMGLDFIQ-UHFFFAOYSA-N 0 3 355.360 3.453 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1OC ZINC000181614973 496471946 /nfs/dbraw/zinc/47/19/46/496471946.db2.gz WPCPFIAOUHYVNK-INIZCTEOSA-N 0 3 360.454 3.319 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904044 496578896 /nfs/dbraw/zinc/57/88/96/496578896.db2.gz HTNAPOWDIDQJLR-UZLBHIALSA-N 0 3 356.466 3.125 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904044 496578897 /nfs/dbraw/zinc/57/88/97/496578897.db2.gz HTNAPOWDIDQJLR-UZLBHIALSA-N 0 3 356.466 3.125 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(F)cc1[O-] ZINC000185084806 496653371 /nfs/dbraw/zinc/65/33/71/496653371.db2.gz TXDYBZKDJICQEV-MRXNPFEDSA-N 0 3 357.473 3.130 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000185118474 496668172 /nfs/dbraw/zinc/66/81/72/496668172.db2.gz DTJDPEBBHXVKTL-ZDUSSCGKSA-N 0 3 362.420 3.482 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000185131778 496673848 /nfs/dbraw/zinc/67/38/48/496673848.db2.gz HTOZGTLCEYBKIN-JLTOFOAXSA-N 0 3 370.449 3.369 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273355812 496782189 /nfs/dbraw/zinc/78/21/89/496782189.db2.gz CQOLYMUDEMKHMK-RVHYNSKXSA-N 0 3 358.526 3.299 20 10 FGCDHN COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000278430993 497111800 /nfs/dbraw/zinc/11/18/00/497111800.db2.gz UWQVSBCALNSACF-WAOWUJCRSA-N 0 3 373.493 3.368 20 10 FGCDHN COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000278430993 497111806 /nfs/dbraw/zinc/11/18/06/497111806.db2.gz UWQVSBCALNSACF-WAOWUJCRSA-N 0 3 373.493 3.368 20 10 FGCDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000237585582 497259724 /nfs/dbraw/zinc/25/97/24/497259724.db2.gz KQXSMSHHRIYFJH-DYESRHJHSA-N 0 3 351.494 3.323 20 10 FGCDHN C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(Br)cc1[O-] ZINC000279007600 497300500 /nfs/dbraw/zinc/30/05/00/497300500.db2.gz SKNNDMZQQGQPQB-NEPJUHHUSA-N 0 3 350.260 3.264 20 10 FGCDHN CCOc1ccc(O)c(CN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000271307466 497316802 /nfs/dbraw/zinc/31/68/02/497316802.db2.gz QKVJOTXXOISNLZ-MRXNPFEDSA-N 0 3 366.255 3.377 20 10 FGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)ncn2C ZINC000271859217 497472249 /nfs/dbraw/zinc/47/22/49/497472249.db2.gz YEBYXCGCNCEDKA-UHFFFAOYSA-N 0 3 350.466 3.042 20 10 FGCDHN Nc1ccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1 ZINC000272707649 497708876 /nfs/dbraw/zinc/70/88/76/497708876.db2.gz JVTPCCPKZDGAKU-UHFFFAOYSA-N 0 3 350.466 3.053 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c([O-])c1C ZINC000277140298 497753493 /nfs/dbraw/zinc/75/34/93/497753493.db2.gz CTVVPFUDDBMHLS-HNNXBMFYSA-N 0 3 368.543 3.252 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1OC ZINC000285222245 498025430 /nfs/dbraw/zinc/02/54/30/498025430.db2.gz UYFUAIGMKBBMEB-QRVBRYPASA-N 0 3 369.461 3.414 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1OC ZINC000285222245 498025432 /nfs/dbraw/zinc/02/54/32/498025432.db2.gz UYFUAIGMKBBMEB-QRVBRYPASA-N 0 3 369.461 3.414 20 10 FGCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000285992339 498261348 /nfs/dbraw/zinc/26/13/48/498261348.db2.gz HBVOAYVHHUOFPE-IPMKNSEASA-N 0 3 350.478 3.340 20 10 FGCDHN COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000290099282 498428926 /nfs/dbraw/zinc/42/89/26/498428926.db2.gz HWFLDHDBIAADOU-YCRPNKLZSA-N 0 3 359.466 3.362 20 10 FGCDHN Cn1cc([C@H]2[C@@H](C[NH2+]Cc3c([O-])ccc4ccccc43)CCCN2C)cn1 ZINC000363176196 498686811 /nfs/dbraw/zinc/68/68/11/498686811.db2.gz GMRVDHVEAZNQSI-VGOFRKELSA-N 0 3 364.493 3.452 20 10 FGCDHN CCN(CC)c1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1F ZINC000363246421 498724267 /nfs/dbraw/zinc/72/42/67/498724267.db2.gz VZSQAFVDMWRYKO-GOSISDBHSA-N 0 3 360.477 3.028 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000287425235 498751791 /nfs/dbraw/zinc/75/17/91/498751791.db2.gz SMVOAXUCVKZPFC-LSDHHAIUSA-N 0 3 358.438 3.062 20 10 FGCDHN CC[C@H](C)[C@@H](N)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366344237 498883902 /nfs/dbraw/zinc/88/39/02/498883902.db2.gz FJYSIYLNMIISCA-BLLLJJGKSA-N 0 3 373.419 3.044 20 10 FGCDHN CN1CCCc2cc(CN[C@@H]3CCCc4c3cnn4-c3ncccn3)ccc21 ZINC000366613948 499003197 /nfs/dbraw/zinc/00/31/97/499003197.db2.gz ZPWLJRIJOPFXDN-LJQANCHMSA-N 0 3 374.492 3.212 20 10 FGCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000372854520 499184524 /nfs/dbraw/zinc/18/45/24/499184524.db2.gz DSDLZPMJRHAVQB-UTKZUKDTSA-N 0 3 353.510 3.003 20 10 FGCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000372854520 499184525 /nfs/dbraw/zinc/18/45/25/499184525.db2.gz DSDLZPMJRHAVQB-UTKZUKDTSA-N 0 3 353.510 3.003 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377892 499191320 /nfs/dbraw/zinc/19/13/20/499191320.db2.gz MWDYWGGWJKFZHT-HUUCEWRRSA-N 0 3 358.438 3.197 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377892 499191322 /nfs/dbraw/zinc/19/13/22/499191322.db2.gz MWDYWGGWJKFZHT-HUUCEWRRSA-N 0 3 358.438 3.197 20 10 FGCDHN COc1cc(O)c(CNCc2cn(-c3ccc(F)cc3)nc2C)cc1OC ZINC000367707861 499227112 /nfs/dbraw/zinc/22/71/12/499227112.db2.gz YMJVANRCCFIUAU-UHFFFAOYSA-N 0 3 371.412 3.332 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(O)(Cc3ccccc3OC)CC2)c1 ZINC000370667922 499242200 /nfs/dbraw/zinc/24/22/00/499242200.db2.gz RBWUSMRISUURHB-UHFFFAOYSA-N 0 3 371.477 3.369 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(O)(Cc3ccccc3OC)CC2)c1 ZINC000370667922 499242201 /nfs/dbraw/zinc/24/22/01/499242201.db2.gz RBWUSMRISUURHB-UHFFFAOYSA-N 0 3 371.477 3.369 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371332536 499311556 /nfs/dbraw/zinc/31/15/56/499311556.db2.gz QHWUTXDIMHFRBD-RYUDHWBXSA-N 0 3 356.260 3.022 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371332536 499311557 /nfs/dbraw/zinc/31/15/57/499311557.db2.gz QHWUTXDIMHFRBD-RYUDHWBXSA-N 0 3 356.260 3.022 20 10 FGCDHN Cc1cc(O)c(CN2CCCN(Cc3noc(C(C)C)n3)CC2)cc1C ZINC000371377641 499317149 /nfs/dbraw/zinc/31/71/49/499317149.db2.gz DTQJKRIGLYKNDM-UHFFFAOYSA-N 0 3 358.486 3.223 20 10 FGCDHN Cc1cc([O-])c(C[N@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)cc1C ZINC000371377641 499317150 /nfs/dbraw/zinc/31/71/50/499317150.db2.gz DTQJKRIGLYKNDM-UHFFFAOYSA-N 0 3 358.486 3.223 20 10 FGCDHN Cc1cc([O-])c(C[N@@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)cc1C ZINC000371377641 499317152 /nfs/dbraw/zinc/31/71/52/499317152.db2.gz DTQJKRIGLYKNDM-UHFFFAOYSA-N 0 3 358.486 3.223 20 10 FGCDHN COc1cccc(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1O ZINC000371423382 499324914 /nfs/dbraw/zinc/32/49/14/499324914.db2.gz YXLKVKFMEZXXDV-LJQANCHMSA-N 0 3 352.434 3.349 20 10 FGCDHN COc1cccc(C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1[O-] ZINC000371423382 499324915 /nfs/dbraw/zinc/32/49/15/499324915.db2.gz YXLKVKFMEZXXDV-LJQANCHMSA-N 0 3 352.434 3.349 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000368753787 499328045 /nfs/dbraw/zinc/32/80/45/499328045.db2.gz MCMHZWXEPROYHM-DXCKQFNASA-N 0 3 370.287 3.452 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000371559016 499341950 /nfs/dbraw/zinc/34/19/50/499341950.db2.gz DTJNGOUGIFSEDZ-SFHVURJKSA-N 0 3 372.509 3.406 20 10 FGCDHN CCOc1cccc(CN2CCC(C(=O)Nc3nccs3)CC2)c1O ZINC000372398522 499428991 /nfs/dbraw/zinc/42/89/91/499428991.db2.gz PFSPCIZHZWSUTN-UHFFFAOYSA-N 0 3 361.467 3.098 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1[O-] ZINC000372398522 499428993 /nfs/dbraw/zinc/42/89/93/499428993.db2.gz PFSPCIZHZWSUTN-UHFFFAOYSA-N 0 3 361.467 3.098 20 10 FGCDHN CN(C)c1ccc(CN2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)cc1F ZINC000376507062 499613578 /nfs/dbraw/zinc/61/35/78/499613578.db2.gz TZBODGRNCZIPQS-KRWDZBQOSA-N 0 3 359.489 3.115 20 10 FGCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(CN2CCCC2)cc1 ZINC000469709599 502510780 /nfs/dbraw/zinc/51/07/80/502510780.db2.gz YOAINMSIJNMIKY-UHFFFAOYSA-N 0 3 365.477 3.388 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)ccc21 ZINC000467030182 502764396 /nfs/dbraw/zinc/76/43/96/502764396.db2.gz DFGFQUNFQVCQMN-VBKZILBWSA-N 0 3 369.509 3.117 20 10 FGCDHN COc1cccc(CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000527799330 503950138 /nfs/dbraw/zinc/95/01/38/503950138.db2.gz VGGWPPCBSZTUTG-CQSZACIVSA-N 0 3 364.804 3.088 20 10 FGCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000528151742 504094843 /nfs/dbraw/zinc/09/48/43/504094843.db2.gz UXRNKWCOILMJDV-GOEBONIOSA-N 0 3 361.486 3.168 20 10 FGCDHN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528715246 504345801 /nfs/dbraw/zinc/34/58/01/504345801.db2.gz QYUVFVBTUWNQFU-UHFFFAOYSA-N 0 3 355.438 3.318 20 10 FGCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC000821611018 607113147 /nfs/dbraw/zinc/11/31/47/607113147.db2.gz NUZIAFWNFITCMB-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC000821611018 607113148 /nfs/dbraw/zinc/11/31/48/607113148.db2.gz NUZIAFWNFITCMB-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1-c1nn[n-]n1 ZINC000821611018 607113150 /nfs/dbraw/zinc/11/31/50/607113150.db2.gz NUZIAFWNFITCMB-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1-c1nn[n-]n1 ZINC000821611018 607113151 /nfs/dbraw/zinc/11/31/51/607113151.db2.gz NUZIAFWNFITCMB-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN CCS[C@@H]1CCCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078650696 700284440 /nfs/dbraw/zinc/28/44/40/700284440.db2.gz NTJMIZHEEOAPGI-LJQANCHMSA-N 0 3 363.571 3.319 20 10 FGCDHN CCOC[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093418959 700451601 /nfs/dbraw/zinc/45/16/01/700451601.db2.gz ZHXNABRTMBUZAF-GFCCVEGCSA-N 0 3 358.276 3.412 20 10 FGCDHN COc1ccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000382453660 713979999 /nfs/dbraw/zinc/97/99/99/713979999.db2.gz HPKSYCMDXCCURW-HIFRSBDPSA-N 0 3 350.459 3.184 20 10 FGCDHN C[C@@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(F)(F)F ZINC000753569421 722904988 /nfs/dbraw/zinc/90/49/88/722904988.db2.gz DTAAOCRBLOAVAZ-QGZVFWFLSA-N 0 3 355.356 3.374 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000763453404 723344039 /nfs/dbraw/zinc/34/40/39/723344039.db2.gz RXTAZQSORFACIU-VQIMIIECSA-N 0 3 365.832 3.449 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000793216426 723412421 /nfs/dbraw/zinc/41/24/21/723412421.db2.gz AMJULEALIFYBOL-LLVKDONJSA-N 0 3 373.291 3.466 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000793233958 723414632 /nfs/dbraw/zinc/41/46/32/723414632.db2.gz XBKXTWWKCULMAW-UHFFFAOYSA-N 0 3 358.404 3.296 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000793609572 723454279 /nfs/dbraw/zinc/45/42/79/723454279.db2.gz OWGSAHTUONABGZ-ZIAGYGMSSA-N 0 3 356.260 3.307 20 10 FGCDHN COc1cc(Cl)cc(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC000793621483 723456298 /nfs/dbraw/zinc/45/62/98/723456298.db2.gz XCQKPWMQCSYASG-GOSISDBHSA-N 0 3 360.885 3.413 20 10 FGCDHN C[C@@H](NCCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765362188 723508353 /nfs/dbraw/zinc/50/83/53/723508353.db2.gz FVCTYCCZOQEPLJ-GFCCVEGCSA-N 0 3 366.811 3.406 20 10 FGCDHN Cc1ccc([C@@H]2CSCCN2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768445853 723657988 /nfs/dbraw/zinc/65/79/88/723657988.db2.gz JSTKHUCORZYGCV-PKOBYXMFSA-N 0 3 357.475 3.417 20 10 FGCDHN Oc1cc2c(cc1CN1CC[C@H](Oc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463443 723658353 /nfs/dbraw/zinc/65/83/53/723658353.db2.gz TYDTZWGOYAXAPN-GUYCJALGSA-N 0 3 361.825 3.125 20 10 FGCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c([O-])c1 ZINC000769103032 723676974 /nfs/dbraw/zinc/67/69/74/723676974.db2.gz UGXDVJFPJGHCRM-UHFFFAOYSA-N 0 3 360.479 3.247 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1[O-] ZINC000770285208 723710333 /nfs/dbraw/zinc/71/03/33/723710333.db2.gz DSUOVGVUKUVWDA-RISCZKNCSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1[O-] ZINC000770285208 723710335 /nfs/dbraw/zinc/71/03/35/723710335.db2.gz DSUOVGVUKUVWDA-RISCZKNCSA-N 0 3 356.260 3.164 20 10 FGCDHN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043640 723775232 /nfs/dbraw/zinc/77/52/32/723775232.db2.gz DTJQERZUDPJLFH-YOEHRIQHSA-N 0 3 364.486 3.416 20 10 FGCDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000775258817 723974234 /nfs/dbraw/zinc/97/42/34/723974234.db2.gz JZLIPGZQUYXFKK-AWEZNQCLSA-N 0 3 360.479 3.222 20 10 FGCDHN COc1ccc(O)c(CNCc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000798955514 723979263 /nfs/dbraw/zinc/97/92/63/723979263.db2.gz QZNIWYAGZREIBS-UHFFFAOYSA-N 0 3 362.857 3.181 20 10 FGCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775491195 723995409 /nfs/dbraw/zinc/99/54/09/723995409.db2.gz BLNDYHACHYFQNQ-ZWKOTPCHSA-N 0 3 353.938 3.358 20 10 FGCDHN CCOC(=O)CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000775662238 724018388 /nfs/dbraw/zinc/01/83/88/724018388.db2.gz BZUPQUKYZKGNDA-UHFFFAOYSA-N 0 3 356.260 3.381 20 10 FGCDHN CCOC(=O)CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000775662238 724018399 /nfs/dbraw/zinc/01/83/99/724018399.db2.gz BZUPQUKYZKGNDA-UHFFFAOYSA-N 0 3 356.260 3.381 20 10 FGCDHN COc1ccc(O)c(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)c1 ZINC000776175826 724116299 /nfs/dbraw/zinc/11/62/99/724116299.db2.gz UHNLCMVPHCMOFB-KRWDZBQOSA-N 0 3 355.356 3.417 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1[O-] ZINC000808713050 725214608 /nfs/dbraw/zinc/21/46/08/725214608.db2.gz DXXSEVPCFOKKTF-AWEZNQCLSA-N 0 3 361.873 3.436 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)NCc2cccc(N3CCOCC3)n2)c1O ZINC000808713050 725214609 /nfs/dbraw/zinc/21/46/09/725214609.db2.gz DXXSEVPCFOKKTF-AWEZNQCLSA-N 0 3 361.873 3.436 20 10 FGCDHN OC[C@H]1C=C[C@@H](N(Cc2cccs2)Cc2cc3c(cc2O)OCO3)C1 ZINC000809768557 725266536 /nfs/dbraw/zinc/26/65/36/725266536.db2.gz ONJQIPHNVABMLU-DZGCQCFKSA-N 0 3 359.447 3.122 20 10 FGCDHN COc1cc(Cl)cc(CN(C)CCn2cc(Br)cn2)c1O ZINC000809793340 725269366 /nfs/dbraw/zinc/26/93/66/725269366.db2.gz WJZRXYKCSXGJNV-UHFFFAOYSA-N 0 3 374.666 3.145 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+](C)CCn2cc(Br)cn2)c1[O-] ZINC000809793340 725269367 /nfs/dbraw/zinc/26/93/67/725269367.db2.gz WJZRXYKCSXGJNV-UHFFFAOYSA-N 0 3 374.666 3.145 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCn2cc(Br)cn2)c1[O-] ZINC000809793340 725269368 /nfs/dbraw/zinc/26/93/68/725269368.db2.gz WJZRXYKCSXGJNV-UHFFFAOYSA-N 0 3 374.666 3.145 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@](CO)(C(C)C)C2)c1O ZINC000816662664 727187288 /nfs/dbraw/zinc/18/72/88/727187288.db2.gz UYYVYPYDUCVBEX-KRWDZBQOSA-N 0 3 372.303 3.394 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1[O-] ZINC000817419231 727249978 /nfs/dbraw/zinc/24/99/78/727249978.db2.gz RCXPZUKFOHLAHI-LBPRGKRZSA-N 0 3 358.276 3.148 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H](CCO)CC2)c1[O-] ZINC000817419231 727249980 /nfs/dbraw/zinc/24/99/80/727249980.db2.gz RCXPZUKFOHLAHI-LBPRGKRZSA-N 0 3 358.276 3.148 20 10 FGCDHN C[C@H]([NH2+]CCCNCc1cccnc1)c1ccc(Br)cc1[O-] ZINC000817941688 727288879 /nfs/dbraw/zinc/28/88/79/727288879.db2.gz VHDILPQYGDVQSP-ZDUSSCGKSA-N 0 3 364.287 3.380 20 10 FGCDHN CC(C)N1CC[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)C1=O ZINC000823893131 729311647 /nfs/dbraw/zinc/31/16/47/729311647.db2.gz SAFSXWHUJIMGLJ-IBGZPJMESA-N 0 3 357.523 3.483 20 10 FGCDHN COc1ccc(C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC000824321345 729330662 /nfs/dbraw/zinc/33/06/62/729330662.db2.gz QIWQYASTKNRHPI-OAHLLOKOSA-N 0 3 352.475 3.287 20 10 FGCDHN FC(F)Oc1ccc(N2CCC(NCc3ccc(Cl)nn3)CC2)cc1 ZINC000876998128 736173221 /nfs/dbraw/zinc/17/32/21/736173221.db2.gz CJPALGUQGKTFDE-UHFFFAOYSA-N 0 3 368.815 3.490 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCc2scnc2C)c1[O-] ZINC000824733048 729357105 /nfs/dbraw/zinc/35/71/05/729357105.db2.gz GWQMLUYKTAFEBP-UHFFFAOYSA-N 0 3 357.273 3.261 20 10 FGCDHN Cc1cc(Br)cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124813 729372132 /nfs/dbraw/zinc/37/21/32/729372132.db2.gz YRMCJJWLQHVPRL-ZANVPECISA-N 0 3 368.193 3.208 20 10 FGCDHN Cc1cc([C@@H](N)CC(=O)NCCCSc2nccs2)cc(Cl)n1 ZINC000829528495 729487952 /nfs/dbraw/zinc/48/79/52/729487952.db2.gz OTARRLXJVSZBGS-LBPRGKRZSA-N 0 3 370.931 3.188 20 10 FGCDHN CC(C)(CO)[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000835058564 729854166 /nfs/dbraw/zinc/85/41/66/729854166.db2.gz QPSLRCHXUQOYCA-LJQANCHMSA-N 0 3 360.523 3.434 20 10 FGCDHN COCC1CCC([NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000840963375 730198344 /nfs/dbraw/zinc/19/83/44/730198344.db2.gz RPRAPRCIVRHJPL-UHFFFAOYSA-N 0 3 358.276 3.458 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841087437 730209252 /nfs/dbraw/zinc/20/92/52/730209252.db2.gz NMTMPLFWHSLBOU-CZUORRHYSA-N 0 3 353.304 3.427 20 10 FGCDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000842643335 730524103 /nfs/dbraw/zinc/52/41/03/730524103.db2.gz NBWCTVYLQBMQKV-QGZVFWFLSA-N 0 3 352.356 3.046 20 10 FGCDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000842643335 730524106 /nfs/dbraw/zinc/52/41/06/730524106.db2.gz NBWCTVYLQBMQKV-QGZVFWFLSA-N 0 3 352.356 3.046 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1[O-] ZINC000846042195 730922724 /nfs/dbraw/zinc/92/27/24/730922724.db2.gz ITVMUTJGJAVBJK-MRXNPFEDSA-N 0 3 370.287 3.458 20 10 FGCDHN COc1cccc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000846166737 730933229 /nfs/dbraw/zinc/93/32/29/730933229.db2.gz OHBKJWJQBOBTKK-LLVKDONJSA-N 0 3 369.870 3.309 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846205697 730936503 /nfs/dbraw/zinc/93/65/03/730936503.db2.gz KBQOYPJFHSAISW-RYUDHWBXSA-N 0 3 367.287 3.125 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)c1[O-] ZINC000848524585 731175248 /nfs/dbraw/zinc/17/52/48/731175248.db2.gz HDDQHCMOCQLANC-MNOVXSKESA-N 0 3 366.259 3.235 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)c1[O-] ZINC000848533659 731176826 /nfs/dbraw/zinc/17/68/26/731176826.db2.gz TUQUJTYKZNFQDP-NTZNESFSSA-N 0 3 374.275 3.008 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCOC(F)F)c1[O-] ZINC000848549257 731179912 /nfs/dbraw/zinc/17/99/12/731179912.db2.gz PZHYNOLNAJBREM-QMMMGPOBSA-N 0 3 354.191 3.443 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)NCc2n[nH]c(C3CC3)n2)c1O ZINC000848552323 731180457 /nfs/dbraw/zinc/18/04/57/731180457.db2.gz BJTHGQJALZVDIV-MRVPVSSYSA-N 0 3 367.247 3.010 20 10 FGCDHN COc1cc(Br)cc([C@H](C)NCc2n[nH]c(C3CC3)n2)c1O ZINC000848552325 731180583 /nfs/dbraw/zinc/18/05/83/731180583.db2.gz BJTHGQJALZVDIV-QMMMGPOBSA-N 0 3 367.247 3.010 20 10 FGCDHN COc1ccc(N2CC[C@@H](NCc3ccc(Br)cn3)C2)cc1 ZINC000850347595 731345398 /nfs/dbraw/zinc/34/53/98/731345398.db2.gz UMLPERSKSXSMDC-OAHLLOKOSA-N 0 3 362.271 3.221 20 10 FGCDHN COc1cc(Br)cc(CN[C@@H]2C[C@@H](O)c3ccccc32)c1O ZINC000850372814 731349578 /nfs/dbraw/zinc/34/95/78/731349578.db2.gz ZIDMGUNHOVZFSB-HUUCEWRRSA-N 0 3 364.239 3.431 20 10 FGCDHN OC1CCN(c2ccc(CN[C@@H]3CCc4nc(Cl)ccc43)cc2)CC1 ZINC000850567952 731374437 /nfs/dbraw/zinc/37/44/37/731374437.db2.gz MSNOEVAFWCIYPV-GOSISDBHSA-N 0 3 357.885 3.473 20 10 FGCDHN Cc1cc(CNC(=S)NC2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000863233365 732929149 /nfs/dbraw/zinc/92/91/49/732929149.db2.gz NFONKGWQWVPGHW-UHFFFAOYSA-N 0 3 356.539 3.152 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1[O-] ZINC000866463055 733353068 /nfs/dbraw/zinc/35/30/68/733353068.db2.gz HQRPHEZALHDWFC-WSFZALMZSA-N 0 3 372.181 3.126 20 10 FGCDHN COc1cc(O)c(CN[C@H](CCO)c2ccc(Cl)c(F)c2)cc1OC ZINC000877664573 736701994 /nfs/dbraw/zinc/70/19/94/736701994.db2.gz SXKWSWRGLAORMA-OAHLLOKOSA-N 0 3 369.820 3.415 20 10 FGCDHN Cc1csc(CC2(O)CCN(Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000878929145 736934996 /nfs/dbraw/zinc/93/49/96/736934996.db2.gz VQJLRHDFFMHNDM-UHFFFAOYSA-N 0 3 359.539 3.396 20 10 FGCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)CC2 ZINC000903264800 743831896 /nfs/dbraw/zinc/83/18/96/743831896.db2.gz UHQDGIJZMJJFBQ-XAUUPUKJSA-N 0 3 355.425 3.172 20 10 FGCDHN CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779006078 724380663 /nfs/dbraw/zinc/38/06/63/724380663.db2.gz MMYUFAVXOZDUDY-NSHDSACASA-N 0 3 355.276 3.125 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1[O-] ZINC000779038096 724383774 /nfs/dbraw/zinc/38/37/74/724383774.db2.gz IPCXABCUMWQKFI-PSASIEDQSA-N 0 3 356.182 3.427 20 10 FGCDHN COc1cccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1O ZINC000073415643 494368771 /nfs/dbraw/zinc/36/87/71/494368771.db2.gz RCHNTDMUAKGTCB-GOSISDBHSA-N 0 3 369.465 3.037 20 10 FGCDHN O=[N+]([O-])c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1 ZINC000091676432 494642090 /nfs/dbraw/zinc/64/20/90/494642090.db2.gz AZBGWTNMJZUFAI-UHFFFAOYSA-N 0 3 367.453 3.134 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c([O-])c1 ZINC000093010462 494807630 /nfs/dbraw/zinc/80/76/30/494807630.db2.gz KVUGRWVFXMQMGG-UHFFFAOYSA-N 0 3 372.465 3.477 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c1[O-] ZINC000093770996 494919738 /nfs/dbraw/zinc/91/97/38/494919738.db2.gz VXDADFAENZEMLA-CQSZACIVSA-N 0 3 360.420 3.497 20 10 FGCDHN CCOc1cccc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c1[O-] ZINC000093770996 494919742 /nfs/dbraw/zinc/91/97/42/494919742.db2.gz VXDADFAENZEMLA-CQSZACIVSA-N 0 3 360.420 3.497 20 10 FGCDHN CN(C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000117974907 494967636 /nfs/dbraw/zinc/96/76/36/494967636.db2.gz NTGNBIKYWBBUNE-HXUWFJFHSA-N 0 3 368.477 3.275 20 10 FGCDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000122786659 495031147 /nfs/dbraw/zinc/03/11/47/495031147.db2.gz VTKTVFRTSCXRTQ-OAHLLOKOSA-N 0 3 371.481 3.277 20 10 FGCDHN Cc1cc(NC(=O)C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000123390830 495125685 /nfs/dbraw/zinc/12/56/85/495125685.db2.gz IMOCYTFHAHCHCV-UHFFFAOYSA-N 0 3 360.433 3.039 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182449047 495568015 /nfs/dbraw/zinc/56/80/15/495568015.db2.gz YFYGDXMYPFXISK-KBPBESRZSA-N 0 3 350.459 3.308 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(C)(=O)=O)cc1 ZINC000171379391 495846520 /nfs/dbraw/zinc/84/65/20/495846520.db2.gz VMEPQNQVQOKOKF-OAHLLOKOSA-N 0 3 358.507 3.323 20 10 FGCDHN CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000155280172 495902912 /nfs/dbraw/zinc/90/29/12/495902912.db2.gz ZRVIODPRUSDFCI-MRXNPFEDSA-N 0 3 371.319 3.042 20 10 FGCDHN COCCOC1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000180200987 495903107 /nfs/dbraw/zinc/90/31/07/495903107.db2.gz VQDSXVQYOAEWRP-UHFFFAOYSA-N 0 3 358.276 3.091 20 10 FGCDHN Cc1cc(Br)cc(CN2CCOCC3(CCOCC3)C2)c1O ZINC000183274206 495910366 /nfs/dbraw/zinc/91/03/66/495910366.db2.gz PRJCJTZAOMQMAQ-UHFFFAOYSA-N 0 3 370.287 3.092 20 10 FGCDHN Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)cc1 ZINC000183404017 495967726 /nfs/dbraw/zinc/96/77/26/495967726.db2.gz HCAWJMZAGFFRJD-MRXNPFEDSA-N 0 3 374.506 3.205 20 10 FGCDHN CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000180412299 495985719 /nfs/dbraw/zinc/98/57/19/495985719.db2.gz XBBDXCMXHRFWAL-UHFFFAOYSA-N 0 3 372.440 3.324 20 10 FGCDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000187113707 496299253 /nfs/dbraw/zinc/29/92/53/496299253.db2.gz CNMSPAMRPCBKSW-WBVHZDCISA-N 0 3 354.450 3.223 20 10 FGCDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000187113707 496299259 /nfs/dbraw/zinc/29/92/59/496299259.db2.gz CNMSPAMRPCBKSW-WBVHZDCISA-N 0 3 354.450 3.223 20 10 FGCDHN C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(N(C)C)cc1 ZINC000157710666 496535781 /nfs/dbraw/zinc/53/57/81/496535781.db2.gz UDEHKLOISHRJRI-SJORKVTESA-N 0 3 354.498 3.224 20 10 FGCDHN C[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157717159 496536966 /nfs/dbraw/zinc/53/69/66/496536966.db2.gz KTNDNJPNRSOSDB-JLTOFOAXSA-N 0 3 362.420 3.186 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c([O-])c1 ZINC000185083040 496651228 /nfs/dbraw/zinc/65/12/28/496651228.db2.gz MFNDCTGBPJULEK-INIZCTEOSA-N 0 3 368.477 3.251 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000185086758 496652331 /nfs/dbraw/zinc/65/23/31/496652331.db2.gz FTBXNPVGMFOTAL-HNNXBMFYSA-N 0 3 363.479 3.057 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185118252 496668000 /nfs/dbraw/zinc/66/80/00/496668000.db2.gz DCNWFFZBERJKCA-AWEZNQCLSA-N 0 3 374.456 3.352 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185118252 496668006 /nfs/dbraw/zinc/66/80/06/496668006.db2.gz DCNWFFZBERJKCA-AWEZNQCLSA-N 0 3 374.456 3.352 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000185178696 496693335 /nfs/dbraw/zinc/69/33/35/496693335.db2.gz HYEPECAHMGDGMP-MRXNPFEDSA-N 0 3 374.506 3.336 20 10 FGCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000185178696 496693341 /nfs/dbraw/zinc/69/33/41/496693341.db2.gz HYEPECAHMGDGMP-MRXNPFEDSA-N 0 3 374.506 3.336 20 10 FGCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273391229 496792068 /nfs/dbraw/zinc/79/20/68/496792068.db2.gz KUZHPDCVWPWAOV-LSDHHAIUSA-N 0 3 362.495 3.329 20 10 FGCDHN COc1c([O-])c(CNC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278531851 497144970 /nfs/dbraw/zinc/14/49/70/497144970.db2.gz VGKQGAIWZXTUAE-UHFFFAOYSA-N 0 3 363.458 3.196 20 10 FGCDHN COc1c([O-])c(C[NH2+]C2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278531851 497144973 /nfs/dbraw/zinc/14/49/73/497144973.db2.gz VGKQGAIWZXTUAE-UHFFFAOYSA-N 0 3 363.458 3.196 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236919187 497167989 /nfs/dbraw/zinc/16/79/89/497167989.db2.gz ZEJQLQSXPZDBEK-SMDDNHRTSA-N 0 3 355.276 3.021 20 10 FGCDHN Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(N3CCNCC3)c(F)c2)s1 ZINC000237983783 497323084 /nfs/dbraw/zinc/32/30/84/497323084.db2.gz LRFMFAWLDZHEDM-CVEARBPZSA-N 0 3 373.497 3.025 20 10 FGCDHN CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(C)cc1[O-] ZINC000280016536 497620441 /nfs/dbraw/zinc/62/04/41/497620441.db2.gz HAFALYMTMDGZHB-SFHVURJKSA-N 0 3 359.445 3.312 20 10 FGCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284856154 497922851 /nfs/dbraw/zinc/92/28/51/497922851.db2.gz AJDVWFHWZAWDPY-MRXNPFEDSA-N 0 3 356.466 3.375 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3cc(C)ccc3[O-])CC2)c1 ZINC000296458378 498051860 /nfs/dbraw/zinc/05/18/60/498051860.db2.gz NCBUNCKJPVKQJA-OAHLLOKOSA-N 0 3 357.454 3.472 20 10 FGCDHN COc1cccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1[O-] ZINC000289572983 498199615 /nfs/dbraw/zinc/19/96/15/498199615.db2.gz ZUAUOXCKKORESB-UHFFFAOYSA-N 0 3 358.457 3.337 20 10 FGCDHN COc1ccc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc1O ZINC000289651180 498231518 /nfs/dbraw/zinc/23/15/18/498231518.db2.gz IFDZLTVEZFPXSS-INIZCTEOSA-N 0 3 370.493 3.460 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c([O-])c1 ZINC000293756175 498478872 /nfs/dbraw/zinc/47/88/72/498478872.db2.gz ONVYXNVEFWSWBT-MRXNPFEDSA-N 0 3 356.466 3.327 20 10 FGCDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287061912 498613379 /nfs/dbraw/zinc/61/33/79/498613379.db2.gz NOLJRQNWJAOPHQ-CVEARBPZSA-N 0 3 368.518 3.291 20 10 FGCDHN CC(C)S(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294408306 498685350 /nfs/dbraw/zinc/68/53/50/498685350.db2.gz SWWRVGPDHCRXOI-IBGZPJMESA-N 0 3 361.507 3.479 20 10 FGCDHN CNC(=O)C1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000294618412 498749896 /nfs/dbraw/zinc/74/98/96/498749896.db2.gz XXGIGEJGHPZHRN-UHFFFAOYSA-N 0 3 357.523 3.343 20 10 FGCDHN COC1CCN(c2ccc(CNC3(C(=O)N(C)C)CCCCC3)cc2)CC1 ZINC000295223106 498948635 /nfs/dbraw/zinc/94/86/35/498948635.db2.gz XZIPIZLECLNELW-UHFFFAOYSA-N 0 3 373.541 3.183 20 10 FGCDHN CN1CCCc2cc(CN[C@H]3CCCc4c3cnn4-c3ncccn3)ccc21 ZINC000366613937 499003917 /nfs/dbraw/zinc/00/39/17/499003917.db2.gz ZPWLJRIJOPFXDN-IBGZPJMESA-N 0 3 374.492 3.212 20 10 FGCDHN COc1ncc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000284385522 499098378 /nfs/dbraw/zinc/09/83/78/499098378.db2.gz OYOZPCJGDRTZRY-AWEZNQCLSA-N 0 3 361.873 3.431 20 10 FGCDHN Cc1cccnc1NC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000367229120 499165170 /nfs/dbraw/zinc/16/51/70/499165170.db2.gz OOPNSABKXHVPBB-UHFFFAOYSA-N 0 3 370.472 3.446 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344274 499185129 /nfs/dbraw/zinc/18/51/29/499185129.db2.gz VWRFGAOOPBBYGX-HNNXBMFYSA-N 0 3 358.438 3.026 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344274 499185131 /nfs/dbraw/zinc/18/51/31/499185131.db2.gz VWRFGAOOPBBYGX-HNNXBMFYSA-N 0 3 358.438 3.026 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344274 499185133 /nfs/dbraw/zinc/18/51/33/499185133.db2.gz VWRFGAOOPBBYGX-HNNXBMFYSA-N 0 3 358.438 3.026 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000370375425 499214649 /nfs/dbraw/zinc/21/46/49/499214649.db2.gz UVCFWMZGEFGGSQ-HZPDHXFCSA-N 0 3 353.466 3.119 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1 ZINC000373185436 499456104 /nfs/dbraw/zinc/45/61/04/499456104.db2.gz IMPUTFXOGRVVJD-UGSOOPFHSA-N 0 3 361.511 3.166 20 10 FGCDHN COCCN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCCc2cccnc21 ZINC000373448028 499470134 /nfs/dbraw/zinc/47/01/34/499470134.db2.gz INNZPKVPLZHVOP-MRXNPFEDSA-N 0 3 356.422 3.042 20 10 FGCDHN COc1cc([O-])c(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1OC ZINC000378437435 499516740 /nfs/dbraw/zinc/51/67/40/499516740.db2.gz GIQNGALACWVKDC-UHFFFAOYSA-N 0 3 359.470 3.135 20 10 FGCDHN COc1cc(O)c(CN2CCC(Cn3nc(C)cc3C)CC2)cc1OC ZINC000378437435 499516741 /nfs/dbraw/zinc/51/67/41/499516741.db2.gz GIQNGALACWVKDC-UHFFFAOYSA-N 0 3 359.470 3.135 20 10 FGCDHN CC[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000825142993 608281866 /nfs/dbraw/zinc/28/18/66/608281866.db2.gz UPLIQAGLCAFHMN-IBGZPJMESA-N 0 3 366.469 3.052 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](CCO)c2ccccc2)c1[O-] ZINC000124440312 700720129 /nfs/dbraw/zinc/72/01/29/700720129.db2.gz JXRMYQYXVLZCNY-OAHLLOKOSA-N 0 3 366.255 3.377 20 10 FGCDHN CCCN(CCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000154569436 705039873 /nfs/dbraw/zinc/03/98/73/705039873.db2.gz HTYYZALSKGKVTB-UHFFFAOYSA-N 0 3 363.479 3.087 20 10 FGCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1CCCO1 ZINC000189661911 712799069 /nfs/dbraw/zinc/79/90/69/712799069.db2.gz UWRNDYPJONWYGX-CQSZACIVSA-N 0 3 365.367 3.290 20 10 FGCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1CCCO1 ZINC000189661911 712799072 /nfs/dbraw/zinc/79/90/72/712799072.db2.gz UWRNDYPJONWYGX-CQSZACIVSA-N 0 3 365.367 3.290 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000706643497 722412265 /nfs/dbraw/zinc/41/22/65/722412265.db2.gz LQPBKMJOGHXEQH-OAHLLOKOSA-N 0 3 352.475 3.235 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000758525074 722991075 /nfs/dbraw/zinc/99/10/75/722991075.db2.gz CRGRYZHGPHLMET-ZDUSSCGKSA-N 0 3 350.256 3.096 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000761198782 723132517 /nfs/dbraw/zinc/13/25/17/723132517.db2.gz UAYYMURQWDWFRH-ZDUSSCGKSA-N 0 3 353.821 3.134 20 10 FGCDHN CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000793389714 723433078 /nfs/dbraw/zinc/43/30/78/723433078.db2.gz NACVDCILLHCNQU-KBPBESRZSA-N 0 3 357.397 3.248 20 10 FGCDHN CN(C)c1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1F ZINC000769543366 723689314 /nfs/dbraw/zinc/68/93/14/723689314.db2.gz NXAKLYCBRITRPY-SFHVURJKSA-N 0 3 350.478 3.442 20 10 FGCDHN CCOc1ccc(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c(O)c1 ZINC000775322776 723982112 /nfs/dbraw/zinc/98/21/12/723982112.db2.gz AUHGRTLMADQZKK-HNNXBMFYSA-N 0 3 363.479 3.051 20 10 FGCDHN CCOc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c([O-])c1 ZINC000775322776 723982115 /nfs/dbraw/zinc/98/21/15/723982115.db2.gz AUHGRTLMADQZKK-HNNXBMFYSA-N 0 3 363.479 3.051 20 10 FGCDHN CN1CCN(c2ccc(CN3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000775663877 724019324 /nfs/dbraw/zinc/01/93/24/724019324.db2.gz GTBLRXJMWMTICK-LJQANCHMSA-N 0 3 357.523 3.073 20 10 FGCDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)cc(C)c1[O-])CC2 ZINC000775699518 724027066 /nfs/dbraw/zinc/02/70/66/724027066.db2.gz GERGPSSDIOUALN-CQSZACIVSA-N 0 3 368.271 3.238 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000775734654 724033541 /nfs/dbraw/zinc/03/35/41/724033541.db2.gz VMPXJXBLTORKSD-UHFFFAOYSA-N 0 3 358.825 3.082 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000775734654 724033545 /nfs/dbraw/zinc/03/35/45/724033545.db2.gz VMPXJXBLTORKSD-UHFFFAOYSA-N 0 3 358.825 3.082 20 10 FGCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788755903 725086120 /nfs/dbraw/zinc/08/61/20/725086120.db2.gz SYNFYPOBAUCDCI-KGLIPLIRSA-N 0 3 359.436 3.088 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000806179485 725119832 /nfs/dbraw/zinc/11/98/32/725119832.db2.gz RWMREUJKJRTGDC-TZMCWYRMSA-N 0 3 365.271 3.285 20 10 FGCDHN COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808706152 725214369 /nfs/dbraw/zinc/21/43/69/725214369.db2.gz DPGXZRUYEYYNOV-ZDUSSCGKSA-N 0 3 354.878 3.032 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1[O-] ZINC000808705968 725214443 /nfs/dbraw/zinc/21/44/43/725214443.db2.gz VUPWGGFLJPFDLM-BXKDBHETSA-N 0 3 350.768 3.168 20 10 FGCDHN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000809741390 725264176 /nfs/dbraw/zinc/26/41/76/725264176.db2.gz OCVYMJYUNRPTDX-MRXNPFEDSA-N 0 3 372.340 3.299 20 10 FGCDHN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000809741390 725264177 /nfs/dbraw/zinc/26/41/77/725264177.db2.gz OCVYMJYUNRPTDX-MRXNPFEDSA-N 0 3 372.340 3.299 20 10 FGCDHN C[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)N1CCCC1 ZINC000824332468 729331181 /nfs/dbraw/zinc/33/11/81/729331181.db2.gz MHTVSQAZVSCJJH-INIZCTEOSA-N 0 3 357.523 3.485 20 10 FGCDHN COc1cc(O)c(CNC[C@@H](OC2CCCC2)C(F)(F)F)cc1OC ZINC000826922069 729419135 /nfs/dbraw/zinc/41/91/35/729419135.db2.gz YFGNNYRWQIXQSS-MRXNPFEDSA-N 0 3 363.376 3.389 20 10 FGCDHN CN1CCN([C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)c2cccs2)CC1 ZINC000834487772 729807405 /nfs/dbraw/zinc/80/74/05/729807405.db2.gz LQPDVYAKTZBTQO-IRXDYDNUSA-N 0 3 357.523 3.019 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1c(Br)cnn1C ZINC000840977624 730200378 /nfs/dbraw/zinc/20/03/78/730200378.db2.gz WNRBUBBSEXIJPZ-CYBMUJFWSA-N 0 3 365.319 3.278 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000843044409 730573134 /nfs/dbraw/zinc/57/31/34/730573134.db2.gz BFVTVOXLNOSZTB-CJNGLKHVSA-N 0 3 353.304 3.427 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1[O-] ZINC000848525082 731175234 /nfs/dbraw/zinc/17/52/34/731175234.db2.gz MSEOQJBWNFNSBU-CMPLNLGQSA-N 0 3 355.276 3.051 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000848535813 731177620 /nfs/dbraw/zinc/17/76/20/731177620.db2.gz HBTGCNDBBLOBSR-JMCQJSRRSA-N 0 3 372.181 3.127 20 10 FGCDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848545947 731179111 /nfs/dbraw/zinc/17/91/11/731179111.db2.gz OAJIOGJEBVTLED-PSOPSSQASA-N 0 3 374.275 3.008 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)NCc2cc(C)nn2C)c1O ZINC000848549300 731179770 /nfs/dbraw/zinc/17/97/70/731179770.db2.gz SFZVQKUPYZVALK-SNVBAGLBSA-N 0 3 354.248 3.056 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)c1[O-] ZINC000848553289 731180604 /nfs/dbraw/zinc/18/06/04/731180604.db2.gz LQSDMTDCDGYWFH-DMDPSCGWSA-N 0 3 358.276 3.365 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848569606 731183322 /nfs/dbraw/zinc/18/33/22/731183322.db2.gz FYJCUWXSMAAGPN-GXFFZTMASA-N 0 3 369.259 3.097 20 10 FGCDHN CCCn1nccc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000850137141 731324202 /nfs/dbraw/zinc/32/42/02/731324202.db2.gz KELCUGHEUTVNNH-KRWDZBQOSA-N 0 3 362.905 3.406 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000858284334 732200403 /nfs/dbraw/zinc/20/04/03/732200403.db2.gz FTHBULGWQYRYDB-ZIAGYGMSSA-N 0 3 350.459 3.278 20 10 FGCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862251027 732799202 /nfs/dbraw/zinc/79/92/02/732799202.db2.gz YXEHGMKGJSIIBV-AWEZNQCLSA-N 0 3 353.304 3.318 20 10 FGCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862251027 732799204 /nfs/dbraw/zinc/79/92/04/732799204.db2.gz YXEHGMKGJSIIBV-AWEZNQCLSA-N 0 3 353.304 3.318 20 10 FGCDHN COC(=O)c1cnc(C2CCN(Cc3cc(F)ccc3O)CC2)s1 ZINC000862473635 732839321 /nfs/dbraw/zinc/83/93/21/732839321.db2.gz CKNDIXMHVWZMTH-UHFFFAOYSA-N 0 3 350.415 3.154 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1[O-] ZINC000862475342 732839448 /nfs/dbraw/zinc/83/94/48/732839448.db2.gz HNOOMRFHJRKFFM-UHFFFAOYSA-N 0 3 363.832 3.401 20 10 FGCDHN CC(=O)Nc1cccc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000865417358 733195323 /nfs/dbraw/zinc/19/53/23/733195323.db2.gz IDUHELRSVJOKSF-UHFFFAOYSA-N 0 3 355.507 3.488 20 10 FGCDHN OCC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)c(F)c1 ZINC000865655051 733246999 /nfs/dbraw/zinc/24/69/99/733246999.db2.gz ZOXRRIVJUPILKY-CQSZACIVSA-N 0 3 353.777 3.127 20 10 FGCDHN CCN(C)c1ccc(CN2CCC(O)(Cc3nc(C)cs3)CC2)cc1 ZINC000878928643 736935045 /nfs/dbraw/zinc/93/50/45/736935045.db2.gz LLQOJWINJXJUGF-UHFFFAOYSA-N 0 3 359.539 3.477 20 10 FGCDHN CSCc1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883283649 737546976 /nfs/dbraw/zinc/54/69/76/737546976.db2.gz MVGFAFNPCNTLDX-UHFFFAOYSA-N 0 3 362.568 3.048 20 10 FGCDHN NC(=O)C1CCN(c2ccc(CNCc3cccc(Cl)c3)cc2)CC1 ZINC000886325335 739244313 /nfs/dbraw/zinc/24/43/13/739244313.db2.gz BQYHAWSTENQVFB-UHFFFAOYSA-N 0 3 357.885 3.332 20 10 FGCDHN Cc1csc([C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891248876 739886532 /nfs/dbraw/zinc/88/65/32/739886532.db2.gz NXVKMRBDCVUNRR-PBHICJAKSA-N 0 3 360.527 3.040 20 10 FGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)NCc1cc(C)cc(OC)c1O ZINC000894357734 742272902 /nfs/dbraw/zinc/27/29/02/742272902.db2.gz YDBLAPZYONUSLT-MRXNPFEDSA-N 0 3 363.479 3.051 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)c1[O-] ZINC000903391396 743844224 /nfs/dbraw/zinc/84/42/24/743844224.db2.gz XOSMMPGPJLPSLB-WFASDCNBSA-N 0 3 370.287 3.452 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnc3n2CCOC3)c1[O-] ZINC000903420236 743847817 /nfs/dbraw/zinc/84/78/17/743847817.db2.gz MJBSDHIQSSGGEG-LLVKDONJSA-N 0 3 366.259 3.041 20 10 FGCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000917479779 758226155 /nfs/dbraw/zinc/22/61/55/758226155.db2.gz GMFAFUYXFJLOKG-GFCCVEGCSA-N 0 3 364.239 3.303 20 10 FGCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000917479779 758226175 /nfs/dbraw/zinc/22/61/75/758226175.db2.gz GMFAFUYXFJLOKG-GFCCVEGCSA-N 0 3 364.239 3.303 20 10 FGCDHN C[C@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(F)ccc1[O-] ZINC000926986146 759868495 /nfs/dbraw/zinc/86/84/95/759868495.db2.gz GNAWVBCYAMWXSM-VCOSZWKGSA-N 0 3 350.434 3.295 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1[O-] ZINC000779023309 724381952 /nfs/dbraw/zinc/38/19/52/724381952.db2.gz FHDYNTRPQOFKKC-JSGCOSHPSA-N 0 3 358.276 3.309 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779022829 724382153 /nfs/dbraw/zinc/38/21/53/724382153.db2.gz IIRZUWSHXYUODH-LBPRGKRZSA-N 0 3 362.367 3.154 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779022829 724382148 /nfs/dbraw/zinc/38/21/48/724382148.db2.gz IIRZUWSHXYUODH-LBPRGKRZSA-N 0 3 362.367 3.154 20 10 FGCDHN COc1cccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1O ZINC000073666603 494409828 /nfs/dbraw/zinc/40/98/28/494409828.db2.gz CKLWACJNYRYDQQ-GOSISDBHSA-N 0 3 369.465 3.037 20 10 FGCDHN COc1cccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c1O ZINC000092480635 494640958 /nfs/dbraw/zinc/64/09/58/494640958.db2.gz GAZYAQCTZZXNBT-UHFFFAOYSA-N 0 3 355.438 3.187 20 10 FGCDHN COc1cccc(CN2CCC(NC(=O)c3ccc(C)s3)CC2)c1O ZINC000092673977 494707455 /nfs/dbraw/zinc/70/74/55/494707455.db2.gz QKZKVKOTIAYSKT-UHFFFAOYSA-N 0 3 360.479 3.165 20 10 FGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(F)cn3)cc2F)CC1 ZINC000092747363 494735999 /nfs/dbraw/zinc/73/59/99/494735999.db2.gz JWFLSXTWMALWMM-OAHLLOKOSA-N 0 3 360.452 3.353 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1 ZINC000092002943 494749807 /nfs/dbraw/zinc/74/98/07/494749807.db2.gz IVGDAKNMIQIRAB-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1 ZINC000092002943 494749816 /nfs/dbraw/zinc/74/98/16/494749816.db2.gz IVGDAKNMIQIRAB-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c([O-])c1 ZINC000092056761 494771296 /nfs/dbraw/zinc/77/12/96/494771296.db2.gz PUNQUZYWKHPCMH-UHFFFAOYSA-N 0 3 360.498 3.406 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OCCO)c(OC)c2)cc1 ZINC000127651745 494976381 /nfs/dbraw/zinc/97/63/81/494976381.db2.gz NGHBCIUJTQYGDK-MRXNPFEDSA-N 0 3 358.482 3.373 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000185874491 495759299 /nfs/dbraw/zinc/75/92/99/495759299.db2.gz YWFVLQAMIJWJCE-RDTXWAMCSA-N 0 3 374.481 3.372 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c([O-])c1 ZINC000179857298 495760403 /nfs/dbraw/zinc/76/04/03/495760403.db2.gz JESZQCITLYUFMU-UHFFFAOYSA-N 0 3 373.453 3.328 20 10 FGCDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000160334166 495938574 /nfs/dbraw/zinc/93/85/74/495938574.db2.gz JVPNXNGBVBXPDF-PBHICJAKSA-N 0 3 357.477 3.382 20 10 FGCDHN COc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)cc1 ZINC000183380018 495955303 /nfs/dbraw/zinc/95/53/03/495955303.db2.gz ZMKJVXPPYRDNQK-UZLBHIALSA-N 0 3 356.466 3.125 20 10 FGCDHN C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178567999 496501015 /nfs/dbraw/zinc/50/10/15/496501015.db2.gz KTTNZRNWXRIPMO-AWEZNQCLSA-N 0 3 362.420 3.145 20 10 FGCDHN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc2c(cc1[O-])CCCC2 ZINC000184955806 496599266 /nfs/dbraw/zinc/59/92/66/496599266.db2.gz KRCWDSSPEJSSQN-HNNXBMFYSA-N 0 3 354.498 3.482 20 10 FGCDHN C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)c1ccc(F)c(F)c1[O-] ZINC000187911336 496617081 /nfs/dbraw/zinc/61/70/81/496617081.db2.gz UHRYWNNNPMWAAL-BBRMVZONSA-N 0 3 362.420 3.088 20 10 FGCDHN C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1cc(F)ccc1[O-] ZINC000185083142 496651726 /nfs/dbraw/zinc/65/17/26/496651726.db2.gz SBTVZTCSERZHPI-AWEZNQCLSA-N 0 3 372.440 3.082 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109224 496664603 /nfs/dbraw/zinc/66/46/03/496664603.db2.gz CVGKKRMRHAALCJ-CABCVRRESA-N 0 3 362.495 3.363 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000185118769 496667613 /nfs/dbraw/zinc/66/76/13/496667613.db2.gz CWSAGKKMQPOAFJ-MRXNPFEDSA-N 0 3 370.493 3.460 20 10 FGCDHN C[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154079878 496677347 /nfs/dbraw/zinc/67/73/47/496677347.db2.gz XBTISRJXJQKHST-KXBFYZLASA-N 0 3 361.461 3.209 20 10 FGCDHN CN(CCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1 ZINC000265363901 497108552 /nfs/dbraw/zinc/10/85/52/497108552.db2.gz FKAZKYWRZWGRIY-WCWDXBQESA-N 0 3 365.437 3.251 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2CC)c([O-])c1 ZINC000275729856 497416124 /nfs/dbraw/zinc/41/61/24/497416124.db2.gz ZROGTVPBUKQXJJ-OXJNMPFZSA-N 0 3 359.470 3.265 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000275753337 497423144 /nfs/dbraw/zinc/42/31/44/497423144.db2.gz DPCNBPMPSUFLAS-OAHLLOKOSA-N 0 3 350.459 3.280 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1[O-] ZINC000279633180 497493361 /nfs/dbraw/zinc/49/33/61/497493361.db2.gz ZHUFPSUTZRHJRV-LBPRGKRZSA-N 0 3 365.271 3.321 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(C)cc1[O-] ZINC000280022175 497622920 /nfs/dbraw/zinc/62/29/20/497622920.db2.gz HMJRJFDHDGZHGH-IBGZPJMESA-N 0 3 354.498 3.088 20 10 FGCDHN O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000276840414 497668657 /nfs/dbraw/zinc/66/86/57/497668657.db2.gz SMHGILXFHNKDBE-IBGZPJMESA-N 0 3 366.461 3.168 20 10 FGCDHN O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000276840414 497668663 /nfs/dbraw/zinc/66/86/63/497668663.db2.gz SMHGILXFHNKDBE-IBGZPJMESA-N 0 3 366.461 3.168 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411780 497943837 /nfs/dbraw/zinc/94/38/37/497943837.db2.gz CDBISTPQCSWAND-GJZGRUSLSA-N 0 3 355.438 3.208 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411780 497943839 /nfs/dbraw/zinc/94/38/39/497943839.db2.gz CDBISTPQCSWAND-GJZGRUSLSA-N 0 3 355.438 3.208 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@H]31)OCO2 ZINC000285176801 498013043 /nfs/dbraw/zinc/01/30/43/498013043.db2.gz QTQRXBUKSMROAL-FGTMMUONSA-N 0 3 353.418 3.125 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@H]31)OCO2 ZINC000285176801 498013049 /nfs/dbraw/zinc/01/30/49/498013049.db2.gz QTQRXBUKSMROAL-FGTMMUONSA-N 0 3 353.418 3.125 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c([O-])c1 ZINC000285302455 498046726 /nfs/dbraw/zinc/04/67/26/498046726.db2.gz SCHHWEVWXNMZJM-KRWDZBQOSA-N 0 3 368.477 3.332 20 10 FGCDHN CCC[N@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccccc1[O-] ZINC000285360981 498062529 /nfs/dbraw/zinc/06/25/29/498062529.db2.gz ACWXKBHSXOKUQY-UHFFFAOYSA-N 0 3 357.479 3.225 20 10 FGCDHN CCC[N@@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccccc1[O-] ZINC000285360981 498062535 /nfs/dbraw/zinc/06/25/35/498062535.db2.gz ACWXKBHSXOKUQY-UHFFFAOYSA-N 0 3 357.479 3.225 20 10 FGCDHN O=C1Nc2ccccc2[C@@H]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000360188331 498255848 /nfs/dbraw/zinc/25/58/48/498255848.db2.gz OTSKZJNCEUAKBX-FQEVSTJZSA-N 0 3 366.417 3.069 20 10 FGCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000290111993 498433075 /nfs/dbraw/zinc/43/30/75/498433075.db2.gz ISMXUUSQDAEIHN-RBZFPXEDSA-N 0 3 363.429 3.193 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c([O-])c1 ZINC000363176235 498686189 /nfs/dbraw/zinc/68/61/89/498686189.db2.gz GZDJDGMXUMPKLH-LAUBAEHRSA-N 0 3 372.513 3.087 20 10 FGCDHN Cc1n[nH]cc1CNC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363381786 498791964 /nfs/dbraw/zinc/79/19/64/498791964.db2.gz KMSJWGPVPMQHNX-ZDUSSCGKSA-N 0 3 354.376 3.233 20 10 FGCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000283488356 498901842 /nfs/dbraw/zinc/90/18/42/498901842.db2.gz XTDOUOWTSMECIG-RRMPHLOHSA-N 0 3 359.510 3.489 20 10 FGCDHN Cc1nnc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])s1 ZINC000291533692 498980220 /nfs/dbraw/zinc/98/02/20/498980220.db2.gz KMTLPPJZYZYJRL-UHFFFAOYSA-N 0 3 355.463 3.463 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)c1[O-] ZINC000366690727 499035152 /nfs/dbraw/zinc/03/51/52/499035152.db2.gz QDCFHMGVUWQBFR-HZPDHXFCSA-N 0 3 352.862 3.030 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)c1[O-] ZINC000366690727 499035154 /nfs/dbraw/zinc/03/51/54/499035154.db2.gz QDCFHMGVUWQBFR-HZPDHXFCSA-N 0 3 352.862 3.030 20 10 FGCDHN COc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000284385526 499098498 /nfs/dbraw/zinc/09/84/98/499098498.db2.gz OYOZPCJGDRTZRY-CQSZACIVSA-N 0 3 361.873 3.431 20 10 FGCDHN CN(C(=O)c1ccc(NCc2ccccc2O)cc1)[C@H]1CCCN(C)C1 ZINC000367041203 499138336 /nfs/dbraw/zinc/13/83/36/499138336.db2.gz SJHLOPVHIZJYPU-IBGZPJMESA-N 0 3 353.466 3.171 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377893 499191465 /nfs/dbraw/zinc/19/14/65/499191465.db2.gz MWDYWGGWJKFZHT-LSDHHAIUSA-N 0 3 358.438 3.197 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377893 499191468 /nfs/dbraw/zinc/19/14/68/499191468.db2.gz MWDYWGGWJKFZHT-LSDHHAIUSA-N 0 3 358.438 3.197 20 10 FGCDHN C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000367413780 499196237 /nfs/dbraw/zinc/19/62/37/499196237.db2.gz WECNNSNEPWIREJ-UTKZUKDTSA-N 0 3 371.525 3.107 20 10 FGCDHN CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000367932535 499246787 /nfs/dbraw/zinc/24/67/87/499246787.db2.gz QHBRWJRVDJQKRE-UHFFFAOYSA-N 0 3 372.440 3.324 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c1[O-] ZINC000368402226 499292558 /nfs/dbraw/zinc/29/25/58/499292558.db2.gz JODBLJQYFGAUJG-KSSFIOAISA-N 0 3 362.905 3.260 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CCN(C)[C@@H]4C3)ccc21 ZINC000368588867 499310842 /nfs/dbraw/zinc/31/08/42/499310842.db2.gz HHEDLBSXZNVHCQ-DYESRHJHSA-N 0 3 369.509 3.071 20 10 FGCDHN COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000371422278 499324652 /nfs/dbraw/zinc/32/46/52/499324652.db2.gz DZYQMOHWGNSAEF-UTKZUKDTSA-N 0 3 373.449 3.116 20 10 FGCDHN COc1ccc([C@H](O)[C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000371422278 499324653 /nfs/dbraw/zinc/32/46/53/499324653.db2.gz DZYQMOHWGNSAEF-UTKZUKDTSA-N 0 3 373.449 3.116 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)ccc21 ZINC000371534248 499339125 /nfs/dbraw/zinc/33/91/25/499339125.db2.gz NDDXUCTXOBSANR-UWJYYQICSA-N 0 3 369.509 3.071 20 10 FGCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)cc1C ZINC000378528910 499528677 /nfs/dbraw/zinc/52/86/77/499528677.db2.gz AZBLWVBBJADEJX-LJQANCHMSA-N 0 3 362.477 3.296 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C)c1ccccc1[O-] ZINC000376046414 499578780 /nfs/dbraw/zinc/57/87/80/499578780.db2.gz IXCXTAIEYPTIBO-HZUJVAHNSA-N 0 3 370.497 3.003 20 10 FGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C)(N4CCOCC4)CC3)c2c1 ZINC000530105052 503838348 /nfs/dbraw/zinc/83/83/48/503838348.db2.gz PCKPBPLCIKDGLC-UHFFFAOYSA-N 0 3 370.493 3.241 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)c([O-])c1 ZINC000527776218 503938883 /nfs/dbraw/zinc/93/88/83/503938883.db2.gz ZXTOJOAALRPYDP-SFHVURJKSA-N 0 3 356.466 3.164 20 10 FGCDHN CC[NH+](CC)C[C@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671864 600717967 /nfs/dbraw/zinc/71/79/67/600717967.db2.gz QAJFDFLFOLXJSW-OAHLLOKOSA-N 0 3 356.466 3.407 20 10 FGCDHN CCN(CC)C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671864 600717968 /nfs/dbraw/zinc/71/79/68/600717968.db2.gz QAJFDFLFOLXJSW-OAHLLOKOSA-N 0 3 356.466 3.407 20 10 FGCDHN CCN(CC)C[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671864 600717969 /nfs/dbraw/zinc/71/79/69/600717969.db2.gz QAJFDFLFOLXJSW-OAHLLOKOSA-N 0 3 356.466 3.407 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccsc2)c1[O-] ZINC000124090767 700714659 /nfs/dbraw/zinc/71/46/59/700714659.db2.gz DNPZVEJYCIJBEA-HNNXBMFYSA-N 0 3 372.284 3.222 20 10 FGCDHN CCOc1ccc(O)c(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128474417 700775826 /nfs/dbraw/zinc/77/58/26/700775826.db2.gz WDENVHMIYOGQHJ-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)c1[O-] ZINC000130375492 700800716 /nfs/dbraw/zinc/80/07/16/700800716.db2.gz JCAJMVMWBQJGFL-MFKMUULPSA-N 0 3 370.243 3.358 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000182360528 705837130 /nfs/dbraw/zinc/83/71/30/705837130.db2.gz XLPPPLVVRVJSET-LLVKDONJSA-N 0 3 371.405 3.248 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000246326971 713621989 /nfs/dbraw/zinc/62/19/89/713621989.db2.gz FTJRUEREJWOYPP-CJNGLKHVSA-N 0 3 357.420 3.347 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000381406824 713978864 /nfs/dbraw/zinc/97/88/64/713978864.db2.gz WSYBAUIJPGWIQT-QWRGUYRKSA-N 0 3 358.866 3.446 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1O ZINC000779431952 724413133 /nfs/dbraw/zinc/41/31/33/724413133.db2.gz IKBJHPIMVWKZET-KGLIPLIRSA-N 0 3 372.303 3.392 20 10 FGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1[O-] ZINC000775654968 724016713 /nfs/dbraw/zinc/01/67/13/724016713.db2.gz SGDDPEWKUPKTEL-UHFFFAOYSA-N 0 3 364.795 3.245 20 10 FGCDHN Cc1ccc(O)c(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000781921892 724613189 /nfs/dbraw/zinc/61/31/89/724613189.db2.gz XCROEVFBITXVIR-GOSISDBHSA-N 0 3 360.479 3.107 20 10 FGCDHN O[C@@H]([C@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000734844126 722510474 /nfs/dbraw/zinc/51/04/74/722510474.db2.gz VEXDIHCNWCPDQQ-WMZOPIPTSA-N 0 3 351.368 3.246 20 10 FGCDHN CN(C)c1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734843232 722510482 /nfs/dbraw/zinc/51/04/82/722510482.db2.gz HJPWESFWZRKEPQ-ROUUACIJSA-N 0 3 352.400 3.377 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCCc1nnc(SC)n1CC(C)C ZINC000747099964 722631223 /nfs/dbraw/zinc/63/12/23/722631223.db2.gz NFHKKJZJEMGUQR-UHFFFAOYSA-N 0 3 364.515 3.093 20 10 FGCDHN CCOc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1 ZINC000758521474 722991016 /nfs/dbraw/zinc/99/10/16/722991016.db2.gz GWMMOHKMRSFRSF-UHFFFAOYSA-N 0 3 369.870 3.138 20 10 FGCDHN CCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c([O-])c1 ZINC000758521474 722991017 /nfs/dbraw/zinc/99/10/17/722991017.db2.gz GWMMOHKMRSFRSF-UHFFFAOYSA-N 0 3 369.870 3.138 20 10 FGCDHN COc1ccc(N2CCN(CCNCc3ccsc3Cl)CC2)cc1 ZINC000790958783 723199629 /nfs/dbraw/zinc/19/96/29/723199629.db2.gz SDUYXKVCNHWZDT-UHFFFAOYSA-N 0 3 365.930 3.322 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCN2CCCC(C)(C)C2)c1[O-] ZINC000767741111 723632062 /nfs/dbraw/zinc/63/20/62/723632062.db2.gz XFGWYDIEDQZXED-UHFFFAOYSA-N 0 3 371.319 3.375 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000769541819 723689372 /nfs/dbraw/zinc/68/93/72/723689372.db2.gz VZGQUGXJAGMDKW-CQSZACIVSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000769541819 723689373 /nfs/dbraw/zinc/68/93/73/723689373.db2.gz VZGQUGXJAGMDKW-CQSZACIVSA-N 0 3 350.459 3.232 20 10 FGCDHN C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1[O-] ZINC000798935006 723977085 /nfs/dbraw/zinc/97/70/85/723977085.db2.gz JAHIRKMDJUFAQO-ZDUSSCGKSA-N 0 3 368.886 3.065 20 10 FGCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000775521822 723997809 /nfs/dbraw/zinc/99/78/09/723997809.db2.gz BIUMYRKDUNEUAT-SCTDSRPQSA-N 0 3 352.906 3.464 20 10 FGCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000775521823 723997891 /nfs/dbraw/zinc/99/78/91/723997891.db2.gz BIUMYRKDUNEUAT-YQVWRLOYSA-N 0 3 352.906 3.464 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000775662478 724018171 /nfs/dbraw/zinc/01/81/71/724018171.db2.gz TXPVKKLQUUQMDP-DAYGRLMNSA-N 0 3 352.906 3.428 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000775662478 724018174 /nfs/dbraw/zinc/01/81/74/724018174.db2.gz TXPVKKLQUUQMDP-DAYGRLMNSA-N 0 3 352.906 3.428 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000775662495 724019347 /nfs/dbraw/zinc/01/93/47/724019347.db2.gz TXPVKKLQUUQMDP-RVKKMQEKSA-N 0 3 352.906 3.428 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000775662495 724019351 /nfs/dbraw/zinc/01/93/51/724019351.db2.gz TXPVKKLQUUQMDP-RVKKMQEKSA-N 0 3 352.906 3.428 20 10 FGCDHN C[C@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000775832089 724068652 /nfs/dbraw/zinc/06/86/52/724068652.db2.gz XOHAKJKAAMKXTF-DZGCQCFKSA-N 0 3 357.420 3.204 20 10 FGCDHN COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000775998506 724095908 /nfs/dbraw/zinc/09/59/08/724095908.db2.gz FQBUEOPFCMKFPG-NWDGAFQWSA-N 0 3 356.850 3.011 20 10 FGCDHN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CCN(C)C)cc2Cl)C1 ZINC000800720601 724223974 /nfs/dbraw/zinc/22/39/74/724223974.db2.gz VCPMYABBZXWYLC-OAHLLOKOSA-N 0 3 366.937 3.279 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@H](OC)C(F)(F)F)c1[O-] ZINC000786823760 725002212 /nfs/dbraw/zinc/00/22/12/725002212.db2.gz NMAMCRBFEPBRJJ-NSHDSACASA-N 0 3 372.181 3.220 20 10 FGCDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809777894 725267812 /nfs/dbraw/zinc/26/78/12/725267812.db2.gz ICBOHFQJKNLMRS-AWEZNQCLSA-N 0 3 369.303 3.201 20 10 FGCDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809777894 725267814 /nfs/dbraw/zinc/26/78/14/725267814.db2.gz ICBOHFQJKNLMRS-AWEZNQCLSA-N 0 3 369.303 3.201 20 10 FGCDHN COCc1nc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])cs1 ZINC000810170078 725294304 /nfs/dbraw/zinc/29/43/04/725294304.db2.gz FCWCFSYCOODQRL-UHFFFAOYSA-N 0 3 357.273 3.356 20 10 FGCDHN COc1ccc(O)c(CN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000814177819 726945043 /nfs/dbraw/zinc/94/50/43/726945043.db2.gz QAOASHOZSPHQPS-OAHLLOKOSA-N 0 3 370.218 3.126 20 10 FGCDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000816625352 727181970 /nfs/dbraw/zinc/18/19/70/727181970.db2.gz BCYIHGVQHDAJKF-NSHDSACASA-N 0 3 357.292 3.105 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000823923403 729313125 /nfs/dbraw/zinc/31/31/25/729313125.db2.gz QEWCRQZNLCKZMM-INIZCTEOSA-N 0 3 364.536 3.051 20 10 FGCDHN COc1cccc(O)c1CNc1cc(N(C)C)c(Br)cn1 ZINC000825104409 729370965 /nfs/dbraw/zinc/37/09/65/729370965.db2.gz WEUVJLVGGQQDKW-UHFFFAOYSA-N 0 3 352.232 3.236 20 10 FGCDHN CCOc1cccc(CN(CCO)Cc2cc(Cl)cc(OC)c2O)c1 ZINC000825305454 729378006 /nfs/dbraw/zinc/37/80/06/729378006.db2.gz JKWUNEYWTBKTFZ-UHFFFAOYSA-N 0 3 365.857 3.447 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1[O-] ZINC000827594385 729432141 /nfs/dbraw/zinc/43/21/41/729432141.db2.gz FZKKRGUYQWWSGJ-KRWDZBQOSA-N 0 3 372.303 3.120 20 10 FGCDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834808258 729835820 /nfs/dbraw/zinc/83/58/20/729835820.db2.gz YRDBJVSMUVMDJV-KKUMJFAQSA-N 0 3 350.434 3.317 20 10 FGCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cc(OC)ccc2O)c1 ZINC000840956085 730197045 /nfs/dbraw/zinc/19/70/45/730197045.db2.gz KABCYERYJPQVGG-UHFFFAOYSA-N 0 3 369.870 3.138 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1[O-] ZINC000840964261 730198207 /nfs/dbraw/zinc/19/82/07/730198207.db2.gz VPDMYMSYYKCPNQ-AWEZNQCLSA-N 0 3 368.246 3.468 20 10 FGCDHN COc1cc(Br)c(CNCCc2ccc(N)cc2)c(OC)c1 ZINC000841036494 730205070 /nfs/dbraw/zinc/20/50/70/730205070.db2.gz SUUFYXVIPOFWCY-UHFFFAOYSA-N 0 3 365.271 3.381 20 10 FGCDHN COc1ccc(N(C)CCN(C)C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000844400047 730712849 /nfs/dbraw/zinc/71/28/49/730712849.db2.gz UDNXPEWSZAHABV-IBGZPJMESA-N 0 3 350.409 3.075 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1[O-] ZINC000848516676 731174284 /nfs/dbraw/zinc/17/42/84/731174284.db2.gz ATIXVGQHZPYLNT-JOYOIKCWSA-N 0 3 356.216 3.141 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1[O-] ZINC000848517936 731174289 /nfs/dbraw/zinc/17/42/89/731174289.db2.gz HSJTVKPCSWGYSM-QWRGUYRKSA-N 0 3 354.248 3.099 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOCC(F)(F)F)c1[O-] ZINC000848527263 731175521 /nfs/dbraw/zinc/17/55/21/731175521.db2.gz XCRIVQIEUDCDCF-MRVPVSSYSA-N 0 3 372.181 3.393 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000848535240 731177245 /nfs/dbraw/zinc/17/72/45/731177245.db2.gz FGMULXNBQQJJAV-JOYOIKCWSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)c2ccccn2)c1[O-] ZINC000850342938 731344593 /nfs/dbraw/zinc/34/45/93/731344593.db2.gz WGZWLXDSSGUUMZ-LLVKDONJSA-N 0 3 351.244 3.452 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000850547177 731371566 /nfs/dbraw/zinc/37/15/66/731371566.db2.gz RSODGQXXBPYXDS-QCZZGDTMSA-N 0 3 356.260 3.117 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCC(F)(F)C2)N(C)C)cc1 ZINC000891248320 739886038 /nfs/dbraw/zinc/88/60/38/739886038.db2.gz KOVBECRLTQZSGQ-PBHICJAKSA-N 0 3 353.457 3.297 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000896920504 742615953 /nfs/dbraw/zinc/61/59/53/742615953.db2.gz IRDCTVYBWNBFLY-HNNXBMFYSA-N 0 3 370.287 3.281 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)Cc2cccnc2)c1[O-] ZINC000897969050 742729685 /nfs/dbraw/zinc/72/96/85/742729685.db2.gz CNIDUFFUZZLZSV-LLVKDONJSA-N 0 3 351.244 3.279 20 10 FGCDHN COc1cccc(CN[C@](C)(CO)c2cccc(Br)c2)c1O ZINC000898168916 742752780 /nfs/dbraw/zinc/75/27/80/742752780.db2.gz UFNPNMIMVJQBEN-QGZVFWFLSA-N 0 3 366.255 3.161 20 10 FGCDHN O=S(=O)(Nc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1)C1CC1 ZINC000903425498 743849084 /nfs/dbraw/zinc/84/90/84/743849084.db2.gz HCCWCJHSBAXGGS-KRWDZBQOSA-N 0 3 358.463 3.073 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(C)cc1[O-] ZINC000903434674 743850923 /nfs/dbraw/zinc/85/09/23/743850923.db2.gz NURWSDYFBRBNSK-JSGCOSHPSA-N 0 3 362.861 3.169 20 10 FGCDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cn(C)cn1 ZINC000924905697 759415149 /nfs/dbraw/zinc/41/51/49/759415149.db2.gz ISTNAHWVWIYYDC-ZDUSSCGKSA-N 0 3 350.413 3.341 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1[O-] ZINC000779023944 724382035 /nfs/dbraw/zinc/38/20/35/724382035.db2.gz IDEGOPFORSAGOV-QWHCGFSZSA-N 0 3 358.276 3.167 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1[O-] ZINC000779033796 724383009 /nfs/dbraw/zinc/38/30/09/724383009.db2.gz ZVGZBTJDTHKDNY-WCQYABFASA-N 0 3 355.276 3.123 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)NCc2ccnc(N(C)C)n2)c1O ZINC000779040394 724383832 /nfs/dbraw/zinc/38/38/32/724383832.db2.gz IDZCDSFEHIHTQP-NSHDSACASA-N 0 3 365.275 3.170 20 10 FGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000068973660 493902212 /nfs/dbraw/zinc/90/22/12/493902212.db2.gz LJDPPKDCQRZRGA-LJQANCHMSA-N 0 3 372.465 3.003 20 10 FGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000068973660 493902215 /nfs/dbraw/zinc/90/22/15/493902215.db2.gz LJDPPKDCQRZRGA-LJQANCHMSA-N 0 3 372.465 3.003 20 10 FGCDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010337 494754249 /nfs/dbraw/zinc/75/42/49/494754249.db2.gz FQJJUQJBEJYRHX-TZIWHRDSSA-N 0 3 368.525 3.356 20 10 FGCDHN COc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000124174104 495245717 /nfs/dbraw/zinc/24/57/17/495245717.db2.gz XXFIZJRFZAZMBL-INIZCTEOSA-N 0 3 356.470 3.098 20 10 FGCDHN COc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000124174104 495245720 /nfs/dbraw/zinc/24/57/20/495245720.db2.gz XXFIZJRFZAZMBL-INIZCTEOSA-N 0 3 356.470 3.098 20 10 FGCDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)c1 ZINC000130076895 495338482 /nfs/dbraw/zinc/33/84/82/495338482.db2.gz NCZCDSHQVNFUGP-ZFWWWQNUSA-N 0 3 350.413 3.341 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)c1ccc(F)cc1[O-] ZINC000185372158 495553370 /nfs/dbraw/zinc/55/33/70/495553370.db2.gz GAJAMBZBXBBFAK-HNNXBMFYSA-N 0 3 358.457 3.339 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000185654867 495663987 /nfs/dbraw/zinc/66/39/87/495663987.db2.gz GSMOEYPODWAOSR-AWEZNQCLSA-N 0 3 356.470 3.127 20 10 FGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000151069854 495729405 /nfs/dbraw/zinc/72/94/05/495729405.db2.gz IESVCWODUWWQGF-IVCQMTBJSA-N 0 3 358.507 3.111 20 10 FGCDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000183046165 495811899 /nfs/dbraw/zinc/81/18/99/495811899.db2.gz CPOBHEKORKIRPU-KBPBESRZSA-N 0 3 350.413 3.341 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccccc1[O-] ZINC000155321402 495919299 /nfs/dbraw/zinc/91/92/99/495919299.db2.gz YWGIYLJZCNEFBQ-NRFANRHFSA-N 0 3 370.493 3.344 20 10 FGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000172115777 496172111 /nfs/dbraw/zinc/17/21/11/496172111.db2.gz RZDSXCNEZSIKLB-IAGOWNOFSA-N 0 3 368.477 3.240 20 10 FGCDHN Cc1ccc(O)c(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000172115777 496172114 /nfs/dbraw/zinc/17/21/14/496172114.db2.gz RZDSXCNEZSIKLB-IAGOWNOFSA-N 0 3 368.477 3.240 20 10 FGCDHN CCc1nn(C)c(CC)c1CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000161729564 496228641 /nfs/dbraw/zinc/22/86/41/496228641.db2.gz GDQZQEMSGAJWMY-UHFFFAOYSA-N 0 3 356.514 3.312 20 10 FGCDHN C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157024843 496388689 /nfs/dbraw/zinc/38/86/89/496388689.db2.gz JSWMEGGZKIBZIG-AUUYWEPGSA-N 0 3 364.486 3.282 20 10 FGCDHN CCCC(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685374 496492249 /nfs/dbraw/zinc/49/22/49/496492249.db2.gz PTHCUUJQHBQINC-CYBMUJFWSA-N 0 3 354.878 3.183 20 10 FGCDHN COc1ccc([C@H](CO)N(C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000184694096 496495890 /nfs/dbraw/zinc/49/58/90/496495890.db2.gz RTLIXCYGCCBBLW-INIZCTEOSA-N 0 3 351.830 3.228 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000184707967 496501974 /nfs/dbraw/zinc/50/19/74/496501974.db2.gz QSKAHUOBEQKRCW-OAHLLOKOSA-N 0 3 360.841 3.229 20 10 FGCDHN C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000187680370 496532659 /nfs/dbraw/zinc/53/26/59/496532659.db2.gz IWWPACVEHJMHJU-CYBMUJFWSA-N 0 3 350.409 3.462 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1[O-] ZINC000184948676 496596898 /nfs/dbraw/zinc/59/68/98/496596898.db2.gz HTAPQDZCPQIMCN-UHFFFAOYSA-N 0 3 365.836 3.015 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000185260462 496719795 /nfs/dbraw/zinc/71/97/95/496719795.db2.gz DRFFXHWSAKMJIT-JXFKEZNVSA-N 0 3 368.477 3.285 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000268854825 496804461 /nfs/dbraw/zinc/80/44/61/496804461.db2.gz UDOVZJIRWVWUGL-HNNXBMFYSA-N 0 3 361.511 3.365 20 10 FGCDHN C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CN1CCN(C)CC1 ZINC000264373439 496884949 /nfs/dbraw/zinc/88/49/49/496884949.db2.gz MDRUKYBNOWMJOX-GOSISDBHSA-N 0 3 353.510 3.032 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](O)c1c(F)cccc1F ZINC000266297363 497298134 /nfs/dbraw/zinc/29/81/34/497298134.db2.gz LNIIDUYOUKZDBT-FZKQIMNGSA-N 0 3 351.349 3.001 20 10 FGCDHN C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(Br)cc1[O-] ZINC000279007606 497300613 /nfs/dbraw/zinc/30/06/13/497300613.db2.gz SKNNDMZQQGQPQB-VXGBXAGGSA-N 0 3 350.260 3.264 20 10 FGCDHN CN(C)CCc1ccccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000275611530 497381705 /nfs/dbraw/zinc/38/17/05/497381705.db2.gz IGBMTKADDXUPGC-UHFFFAOYSA-N 0 3 358.461 3.318 20 10 FGCDHN CN(C)c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)c(C(F)(F)F)c1 ZINC000279945765 497598260 /nfs/dbraw/zinc/59/82/60/497598260.db2.gz OLSUVPQPBHXFAT-HOTGVXAUSA-N 0 3 368.403 3.125 20 10 FGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555503 497661728 /nfs/dbraw/zinc/66/17/28/497661728.db2.gz ZHEMRKSWYNSLGW-ACMHHVSHSA-N 0 3 366.461 3.138 20 10 FGCDHN CCCOc1ccc(CNCc2ccc(S(=O)(=O)CC)s2)c(O)c1 ZINC000280479387 497766770 /nfs/dbraw/zinc/76/67/70/497766770.db2.gz DLROXFZGGMHJKV-UHFFFAOYSA-N 0 3 369.508 3.326 20 10 FGCDHN O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295872372 497837826 /nfs/dbraw/zinc/83/78/26/497837826.db2.gz HFAAYEFINVCIEE-SFHVURJKSA-N 0 3 354.425 3.413 20 10 FGCDHN COc1ccc([C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N2CCOCC2)cc1 ZINC000296129360 497930139 /nfs/dbraw/zinc/93/01/39/497930139.db2.gz VRKHJCQQYGUJLR-UXHICEINSA-N 0 3 368.477 3.051 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364511906 497994517 /nfs/dbraw/zinc/99/45/17/497994517.db2.gz QYMIFMCZQCNVCR-SFHVURJKSA-N 0 3 350.422 3.010 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364511906 497994521 /nfs/dbraw/zinc/99/45/21/497994521.db2.gz QYMIFMCZQCNVCR-SFHVURJKSA-N 0 3 350.422 3.010 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(c3nccs3)CC2)c1[O-] ZINC000281150318 498036535 /nfs/dbraw/zinc/03/65/35/498036535.db2.gz FKMBLQLVIQFUEO-UHFFFAOYSA-N 0 3 353.875 3.269 20 10 FGCDHN COc1cc(O)c(CN2CCC(Nc3cccc(C)n3)CC2)cc1OC ZINC000360790540 498308176 /nfs/dbraw/zinc/30/81/76/498308176.db2.gz BDEBSBXQTIYEBN-UHFFFAOYSA-N 0 3 357.454 3.189 20 10 FGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](O)c1ccccc1 ZINC000289855367 498325537 /nfs/dbraw/zinc/32/55/37/498325537.db2.gz BKPOMWSIRWREDE-GCKMJXCFSA-N 0 3 358.457 3.435 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1OC ZINC000282027152 498362681 /nfs/dbraw/zinc/36/26/81/498362681.db2.gz WIKIHQYTUHGQSD-HNNXBMFYSA-N 0 3 371.481 3.322 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1OC ZINC000282027152 498362684 /nfs/dbraw/zinc/36/26/84/498362684.db2.gz WIKIHQYTUHGQSD-HNNXBMFYSA-N 0 3 371.481 3.322 20 10 FGCDHN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000366200443 498821111 /nfs/dbraw/zinc/82/11/11/498821111.db2.gz JHUMJHVGKPBITC-NRFANRHFSA-N 0 3 367.493 3.077 20 10 FGCDHN CN(C)c1ccc(CN(C(=O)NC2CCN(C3CC3)CC2)C2CC2)cc1 ZINC000298881840 498907567 /nfs/dbraw/zinc/90/75/67/498907567.db2.gz PTBLILBOJNDNFE-UHFFFAOYSA-N 0 3 356.514 3.053 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c([O-])c1 ZINC000363862358 499029937 /nfs/dbraw/zinc/02/99/37/499029937.db2.gz YUCVPFREIZTXOL-GOEBONIOSA-N 0 3 356.470 3.276 20 10 FGCDHN C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000366694951 499036360 /nfs/dbraw/zinc/03/63/60/499036360.db2.gz LITWFLTZQIFXRF-JTSKRJEESA-N 0 3 351.494 3.361 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)cc(F)c1[O-] ZINC000370400010 499216478 /nfs/dbraw/zinc/21/64/78/499216478.db2.gz WRTNWFORRGHUIB-GZMMTYOYSA-N 0 3 354.223 3.225 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1 ZINC000370374132 499214226 /nfs/dbraw/zinc/21/42/26/499214226.db2.gz MLNSJBCMTXBNQS-HKUYNNGSSA-N 0 3 352.478 3.442 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(Cl)c1[O-] ZINC000367909419 499244203 /nfs/dbraw/zinc/24/42/03/499244203.db2.gz GNIQWLKENYBRIJ-RDTXWAMCSA-N 0 3 351.922 3.255 20 10 FGCDHN Nc1ccc(CC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000370763624 499252166 /nfs/dbraw/zinc/25/21/66/499252166.db2.gz NAHLAGZJBGFCPN-HSZRJFAPSA-N 0 3 363.505 3.326 20 10 FGCDHN CCCOc1ccc(CN2CCCN(Cc3nc(C)c(C)o3)CC2)c(O)c1 ZINC000371383674 499318383 /nfs/dbraw/zinc/31/83/83/499318383.db2.gz PAQPTCCFHSGESP-UHFFFAOYSA-N 0 3 373.497 3.494 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCCN(Cc2ccnc(C)n2)C1=O)c1ccc(C)cc1[O-] ZINC000373519337 499474689 /nfs/dbraw/zinc/47/46/89/499474689.db2.gz IWBVVPUEPDLQQP-OALUTQOASA-N 0 3 368.481 3.031 20 10 FGCDHN Cc1ccc([C@@H](C)NCC(=O)N[C@@H]2CCOc3ccccc32)c(O)c1C ZINC000376573721 499619602 /nfs/dbraw/zinc/61/96/02/499619602.db2.gz HUWPTLXXDAGSPM-CRAIPNDOSA-N 0 3 354.450 3.300 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)NCCN3CCC(C)CC3)ccc21 ZINC000484666406 502701855 /nfs/dbraw/zinc/70/18/55/502701855.db2.gz FMZOZXGQRYJSPK-UHFFFAOYSA-N 0 3 371.525 3.366 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000093643858 700452985 /nfs/dbraw/zinc/45/29/85/700452985.db2.gz HCWBTVIFXKWHAS-SMDDNHRTSA-N 0 3 357.292 3.078 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000093643858 700452987 /nfs/dbraw/zinc/45/29/87/700452987.db2.gz HCWBTVIFXKWHAS-SMDDNHRTSA-N 0 3 357.292 3.078 20 10 FGCDHN C[C@H](NC[C@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000125147280 700731113 /nfs/dbraw/zinc/73/11/13/700731113.db2.gz MXCLPVXJFAGWMM-GUYCJALGSA-N 0 3 350.846 3.154 20 10 FGCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000158574891 705191268 /nfs/dbraw/zinc/19/12/68/705191268.db2.gz SOLLHQOKDLLSQI-ZIAGYGMSSA-N 0 3 351.443 3.353 20 10 FGCDHN COc1cc(N2CCN(CCc3cccs3)CC2)cc(OC)c1OC ZINC000183700564 705898066 /nfs/dbraw/zinc/89/80/66/705898066.db2.gz WPRAKABNIFTUPX-UHFFFAOYSA-N 0 3 362.495 3.139 20 10 FGCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC000248562501 713653454 /nfs/dbraw/zinc/65/34/54/713653454.db2.gz BBJIJOMFTWHUAT-DAXOMENPSA-N 0 3 350.434 3.266 20 10 FGCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC000248562501 713653458 /nfs/dbraw/zinc/65/34/58/713653458.db2.gz BBJIJOMFTWHUAT-DAXOMENPSA-N 0 3 350.434 3.266 20 10 FGCDHN COc1ccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000382453662 713979988 /nfs/dbraw/zinc/97/99/88/713979988.db2.gz HPKSYCMDXCCURW-ZFWWWQNUSA-N 0 3 350.459 3.184 20 10 FGCDHN CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000769516938 723688597 /nfs/dbraw/zinc/68/85/97/723688597.db2.gz VQGHWTBEJRQHIH-OAHLLOKOSA-N 0 3 371.319 3.087 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCOc1cccc(Br)c1 ZINC000725849857 722424781 /nfs/dbraw/zinc/42/47/81/722424781.db2.gz VUYYYTUQRHYWIO-UHFFFAOYSA-N 0 3 352.228 3.332 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000762481051 723247422 /nfs/dbraw/zinc/24/74/22/723247422.db2.gz OFZYOEKGDDMIFI-ZFWWWQNUSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1[O-] ZINC000793608495 723454336 /nfs/dbraw/zinc/45/43/36/723454336.db2.gz JQLSPXDQTWHCMW-CQSZACIVSA-N 0 3 358.276 3.290 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCCCC[C@@H]2CCO)c1[O-] ZINC000793608495 723454339 /nfs/dbraw/zinc/45/43/39/723454339.db2.gz JQLSPXDQTWHCMW-CQSZACIVSA-N 0 3 358.276 3.290 20 10 FGCDHN C[C@H](NCCNc1ccccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000766143354 723558292 /nfs/dbraw/zinc/55/82/92/723558292.db2.gz YVKBLYGWEIXZJO-HNNXBMFYSA-N 0 3 360.889 3.334 20 10 FGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000769291356 723681506 /nfs/dbraw/zinc/68/15/06/723681506.db2.gz NYLQQBOAFGPHAN-CHWSQXEVSA-N 0 3 369.303 3.376 20 10 FGCDHN CN(C)c1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1F ZINC000769543365 723689291 /nfs/dbraw/zinc/68/92/91/723689291.db2.gz NXAKLYCBRITRPY-GOSISDBHSA-N 0 3 350.478 3.442 20 10 FGCDHN C[C@@H](N[C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc(N(C)C)cc1 ZINC000774486619 723899385 /nfs/dbraw/zinc/89/93/85/723899385.db2.gz WNRQDOGCSOBLSH-CABCVRRESA-N 0 3 357.523 3.438 20 10 FGCDHN CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775504064 723996843 /nfs/dbraw/zinc/99/68/43/723996843.db2.gz RPOWRFOQBOPNER-KRWDZBQOSA-N 0 3 367.921 3.029 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000775662490 724018887 /nfs/dbraw/zinc/01/88/87/724018887.db2.gz TXPVKKLQUUQMDP-IIDMSEBBSA-N 0 3 352.906 3.428 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000775662490 724018896 /nfs/dbraw/zinc/01/88/96/724018896.db2.gz TXPVKKLQUUQMDP-IIDMSEBBSA-N 0 3 352.906 3.428 20 10 FGCDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000775998507 724095631 /nfs/dbraw/zinc/09/56/31/724095631.db2.gz FQBUEOPFCMKFPG-RYUDHWBXSA-N 0 3 356.850 3.011 20 10 FGCDHN CN(C)c1ccc(CN2CC[C@H](c3nccn3C)C2)c(C(F)(F)F)c1 ZINC000809757488 725265733 /nfs/dbraw/zinc/26/57/33/725265733.db2.gz OFCDUKJPAWYJNY-AWEZNQCLSA-N 0 3 352.404 3.494 20 10 FGCDHN CC[C@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216342 725297442 /nfs/dbraw/zinc/29/74/42/725297442.db2.gz HYPYGOQOBNUEJV-BBRMVZONSA-N 0 3 359.436 3.088 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000824023043 729316485 /nfs/dbraw/zinc/31/64/85/729316485.db2.gz GUFRHZQBMWTREG-SFHVURJKSA-N 0 3 364.536 3.051 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824715788 729356424 /nfs/dbraw/zinc/35/64/24/729356424.db2.gz NOBOUCRXUJIXSM-RBSFLKMASA-N 0 3 370.287 3.289 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[O-] ZINC000824715788 729356429 /nfs/dbraw/zinc/35/64/29/729356429.db2.gz NOBOUCRXUJIXSM-RBSFLKMASA-N 0 3 370.287 3.289 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCN2CCCC2(C)C)c1[O-] ZINC000825326755 729378832 /nfs/dbraw/zinc/37/88/32/729378832.db2.gz PKNBJNIFANVHNL-UHFFFAOYSA-N 0 3 357.292 3.127 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C(C)(C)CN2CCCC2)c1[O-] ZINC000825327880 729378898 /nfs/dbraw/zinc/37/88/98/729378898.db2.gz VYRBMGZMJIHYSN-UHFFFAOYSA-N 0 3 357.292 3.127 20 10 FGCDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000826902970 729418559 /nfs/dbraw/zinc/41/85/59/729418559.db2.gz NIBOFZUPRDNDOL-APHBMKBZSA-N 0 3 372.303 3.119 20 10 FGCDHN N[C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320412 729428610 /nfs/dbraw/zinc/42/86/10/729428610.db2.gz ILHPZXLPBWGXHA-LJQANCHMSA-N 0 3 361.555 3.154 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000834896044 729844677 /nfs/dbraw/zinc/84/46/77/729844677.db2.gz HEUSIHHFCGJHPM-VXGBXAGGSA-N 0 3 352.276 3.478 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000834915100 729846106 /nfs/dbraw/zinc/84/61/06/729846106.db2.gz PWBCHZZMOSFFTR-CORIIIEPSA-N 0 3 367.287 3.267 20 10 FGCDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccn(C)n1 ZINC000840718940 730165704 /nfs/dbraw/zinc/16/57/04/730165704.db2.gz FWIZIQFDFDMZAK-CYBMUJFWSA-N 0 3 350.413 3.341 20 10 FGCDHN [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000841099195 730211099 /nfs/dbraw/zinc/21/10/99/730211099.db2.gz HGTGQUYHQSGCRG-RDJZCZTQSA-N 0 3 359.297 3.417 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCc2cnn(C)c2)c1[O-] ZINC000848523964 731175242 /nfs/dbraw/zinc/17/52/42/731175242.db2.gz BQRBZSSYDSMJAM-NSHDSACASA-N 0 3 368.275 3.180 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1[O-] ZINC000848532259 731176224 /nfs/dbraw/zinc/17/62/24/731176224.db2.gz BJMPDIOBSUBKDS-WDEREUQCSA-N 0 3 354.248 3.099 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)c1[O-] ZINC000848553294 731180671 /nfs/dbraw/zinc/18/06/71/731180671.db2.gz LQSDMTDCDGYWFH-GVXVVHGQSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1[O-] ZINC000848554178 731180845 /nfs/dbraw/zinc/18/08/45/731180845.db2.gz QSUDFQUFJMGFOJ-WDEREUQCSA-N 0 3 368.275 3.179 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1 ZINC000849348890 731251134 /nfs/dbraw/zinc/25/11/34/731251134.db2.gz KVXVYPNUGVQSAV-UHFFFAOYSA-N 0 3 350.459 3.328 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)c2c1c(F)ccc2[O-] ZINC000850530789 731369686 /nfs/dbraw/zinc/36/96/86/731369686.db2.gz CNYZTEUBEHCTNA-GXTWGEPZSA-N 0 3 355.475 3.417 20 10 FGCDHN CCn1nccc1CN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000853239532 731686683 /nfs/dbraw/zinc/68/66/83/731686683.db2.gz HLSZKKDHMSOLTD-SNVBAGLBSA-N 0 3 354.248 3.231 20 10 FGCDHN Cc1csc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000884472772 737666566 /nfs/dbraw/zinc/66/65/66/737666566.db2.gz HURJBAMQGHOBDN-DYVFJYSZSA-N 0 3 360.479 3.038 20 10 FGCDHN Cc1csc(C[C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)n1 ZINC000884472772 737666568 /nfs/dbraw/zinc/66/65/68/737666568.db2.gz HURJBAMQGHOBDN-DYVFJYSZSA-N 0 3 360.479 3.038 20 10 FGCDHN Cc1csc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000884472774 737666891 /nfs/dbraw/zinc/66/68/91/737666891.db2.gz HURJBAMQGHOBDN-SUMWQHHRSA-N 0 3 360.479 3.038 20 10 FGCDHN Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000884472774 737666895 /nfs/dbraw/zinc/66/68/95/737666895.db2.gz HURJBAMQGHOBDN-SUMWQHHRSA-N 0 3 360.479 3.038 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)N(C)C)cc1 ZINC000891244362 739885814 /nfs/dbraw/zinc/88/58/14/739885814.db2.gz ZUAOLWHZRLXWSN-DQXYTYHJSA-N 0 3 361.555 3.146 20 10 FGCDHN COc1cc(C)cc(CNCc2ccncc2OCC(F)(F)F)c1O ZINC000894651700 742314508 /nfs/dbraw/zinc/31/45/08/742314508.db2.gz HUMNYFOSKJYILN-UHFFFAOYSA-N 0 3 356.344 3.335 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc(CCO)cc2)c1[O-] ZINC000898170987 742752679 /nfs/dbraw/zinc/75/26/79/742752679.db2.gz PHIUAQYZRISYEE-UHFFFAOYSA-N 0 3 350.256 3.288 20 10 FGCDHN C[C@](CO)([NH2+]Cc1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC000898168899 742752937 /nfs/dbraw/zinc/75/29/37/742752937.db2.gz TUJXPMHCLMRRPI-MRXNPFEDSA-N 0 3 354.219 3.291 20 10 FGCDHN COc1cc(Br)cc([C@H](C)NCc2cnn(CCF)c2)c1O ZINC000903274617 743833745 /nfs/dbraw/zinc/83/37/45/743833745.db2.gz PIBRKTVYUDWHMT-JTQLQIEISA-N 0 3 372.238 3.180 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000092012273 494754140 /nfs/dbraw/zinc/75/41/40/494754140.db2.gz CTUMEXXLTHHVCX-ICSRJNTNSA-N 0 3 356.514 3.212 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182449107 495568898 /nfs/dbraw/zinc/56/88/98/495568898.db2.gz YFYGDXMYPFXISK-ZIAGYGMSSA-N 0 3 350.459 3.308 20 10 FGCDHN O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000154527072 495644223 /nfs/dbraw/zinc/64/42/23/495644223.db2.gz IXACIHAYZDJLSU-ICSRJNTNSA-N 0 3 372.421 3.015 20 10 FGCDHN O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000154527072 495644229 /nfs/dbraw/zinc/64/42/29/495644229.db2.gz IXACIHAYZDJLSU-ICSRJNTNSA-N 0 3 372.421 3.015 20 10 FGCDHN CCCNC(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000179662599 495681146 /nfs/dbraw/zinc/68/11/46/495681146.db2.gz DTQZKJDJTLEBPL-UHFFFAOYSA-N 0 3 369.303 3.201 20 10 FGCDHN COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179941861 495794492 /nfs/dbraw/zinc/79/44/92/495794492.db2.gz QAUCWJGKHVFFCX-UHFFFAOYSA-N 0 3 358.413 3.391 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCO2 ZINC000151548821 495875039 /nfs/dbraw/zinc/87/50/39/495875039.db2.gz UDJYFLINHDDJOE-CQSZACIVSA-N 0 3 372.440 3.366 20 10 FGCDHN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183446393 495986244 /nfs/dbraw/zinc/98/62/44/495986244.db2.gz BPZOYELZNGLIAK-HNNXBMFYSA-N 0 3 362.495 3.272 20 10 FGCDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC000180848278 496169664 /nfs/dbraw/zinc/16/96/64/496169664.db2.gz DLOKMMJPZIAAPW-OJYYBLKUSA-N 0 3 366.461 3.280 20 10 FGCDHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000187113670 496299388 /nfs/dbraw/zinc/29/93/88/496299388.db2.gz CNMSPAMRPCBKSW-NVXWUHKLSA-N 0 3 354.450 3.223 20 10 FGCDHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000187113670 496299392 /nfs/dbraw/zinc/29/93/92/496299392.db2.gz CNMSPAMRPCBKSW-NVXWUHKLSA-N 0 3 354.450 3.223 20 10 FGCDHN COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1[O-] ZINC000184243772 496302059 /nfs/dbraw/zinc/30/20/59/496302059.db2.gz PONSJOHAQMBTIP-BPUTZDHNSA-N 0 3 362.470 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1[O-] ZINC000184243772 496302061 /nfs/dbraw/zinc/30/20/61/496302061.db2.gz PONSJOHAQMBTIP-BPUTZDHNSA-N 0 3 362.470 3.136 20 10 FGCDHN Cc1ccc(O)c([C@H](C)NCc2ccccc2OCCN2CCOCC2)c1 ZINC000185197576 496701133 /nfs/dbraw/zinc/70/11/33/496701133.db2.gz TUHOQQPHBJVWRZ-SFHVURJKSA-N 0 3 370.493 3.262 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc2c(cc1[O-])CCCC2 ZINC000273374932 496787564 /nfs/dbraw/zinc/78/75/64/496787564.db2.gz HBLTUROBTXCNCJ-MRXNPFEDSA-N 0 3 367.493 3.353 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1cc2c(cc1O)CCCC2 ZINC000273374932 496787570 /nfs/dbraw/zinc/78/75/70/496787570.db2.gz HBLTUROBTXCNCJ-MRXNPFEDSA-N 0 3 367.493 3.353 20 10 FGCDHN CC[C@H](NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268846665 496802167 /nfs/dbraw/zinc/80/21/67/496802167.db2.gz JEOSLZQRGNOYPF-DOXZYTNZSA-N 0 3 360.477 3.414 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c([O-])c1C ZINC000273437516 496806082 /nfs/dbraw/zinc/80/60/82/496806082.db2.gz XLIRLQZUJBNMMT-INIZCTEOSA-N 0 3 356.466 3.327 20 10 FGCDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1C ZINC000273464305 496813723 /nfs/dbraw/zinc/81/37/23/496813723.db2.gz QWIUCTMICSIMAS-VQIMIIECSA-N 0 3 353.466 3.246 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c([O-])c1C ZINC000273464305 496813725 /nfs/dbraw/zinc/81/37/25/496813725.db2.gz QWIUCTMICSIMAS-VQIMIIECSA-N 0 3 353.466 3.246 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000274435662 497096883 /nfs/dbraw/zinc/09/68/83/497096883.db2.gz RDQBZKBYLVPWKK-UHFFFAOYSA-N 0 3 368.300 3.098 20 10 FGCDHN COc1c([O-])c(CNCc2ccccc2C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278525605 497143341 /nfs/dbraw/zinc/14/33/41/497143341.db2.gz TTZCMYXDJXSVFX-UHFFFAOYSA-N 0 3 373.453 3.439 20 10 FGCDHN COc1c([O-])c(CNCc2ccccc2C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278525605 497143345 /nfs/dbraw/zinc/14/33/45/497143345.db2.gz TTZCMYXDJXSVFX-UHFFFAOYSA-N 0 3 373.453 3.439 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](O)c1c(F)cccc1F ZINC000266297362 497298327 /nfs/dbraw/zinc/29/83/27/497298327.db2.gz LNIIDUYOUKZDBT-ACJLOTCBSA-N 0 3 351.349 3.001 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1[O-] ZINC000277136215 497752144 /nfs/dbraw/zinc/75/21/44/497752144.db2.gz ZQFKMVNYEZWEMM-UHFFFAOYSA-N 0 3 374.934 3.036 20 10 FGCDHN CCS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(C)c2O)s1 ZINC000280560709 497789209 /nfs/dbraw/zinc/78/92/09/497789209.db2.gz KWEKVEYVHJTLNF-UHFFFAOYSA-N 0 3 359.900 3.499 20 10 FGCDHN c1nnc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CCCCC2)[nH]1 ZINC000292084533 497870832 /nfs/dbraw/zinc/87/08/32/497870832.db2.gz ILCQEBFMJXJMPF-LJQANCHMSA-N 0 3 355.486 3.053 20 10 FGCDHN c1nnc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCCCC2)[n-]1 ZINC000292084533 497870838 /nfs/dbraw/zinc/87/08/38/497870838.db2.gz ILCQEBFMJXJMPF-LJQANCHMSA-N 0 3 355.486 3.053 20 10 FGCDHN C[C@H](CC(=O)Nc1cccnc1Cl)NCc1ccc2c(c1)CCN2C ZINC000364485652 497982661 /nfs/dbraw/zinc/98/26/61/497982661.db2.gz MBHVKXKLSHZXSH-CYBMUJFWSA-N 0 3 358.873 3.234 20 10 FGCDHN CCN1CCN(c2ccc(CNCc3ccnn3C(C)C)cc2F)CC1 ZINC000281040383 497996808 /nfs/dbraw/zinc/99/68/08/497996808.db2.gz ZIKFWWGRYAPGDM-UHFFFAOYSA-N 0 3 359.493 3.035 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000364624796 498056187 /nfs/dbraw/zinc/05/61/87/498056187.db2.gz QZLYWXNQUXIJIK-CQSZACIVSA-N 0 3 372.440 3.495 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000364624796 498056193 /nfs/dbraw/zinc/05/61/93/498056193.db2.gz QZLYWXNQUXIJIK-CQSZACIVSA-N 0 3 372.440 3.495 20 10 FGCDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000360963625 498327643 /nfs/dbraw/zinc/32/76/43/498327643.db2.gz YRFAWWHBXJRVLE-DHIUTWEWSA-N 0 3 365.521 3.231 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230307 498331945 /nfs/dbraw/zinc/33/19/45/498331945.db2.gz STXSGDXCRZXKIR-ICSRJNTNSA-N 0 3 358.457 3.339 20 10 FGCDHN COc1cc(O)c(CN2CC[C@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761917 498428128 /nfs/dbraw/zinc/42/81/28/498428128.db2.gz GDGSNEISWFRAMI-INIZCTEOSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761917 498428134 /nfs/dbraw/zinc/42/81/34/498428134.db2.gz GDGSNEISWFRAMI-INIZCTEOSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761917 498428138 /nfs/dbraw/zinc/42/81/38/498428138.db2.gz GDGSNEISWFRAMI-INIZCTEOSA-N 0 3 353.422 3.206 20 10 FGCDHN O=S1(=O)CC[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000293790057 498489577 /nfs/dbraw/zinc/48/95/77/498489577.db2.gz QOGAPJUAZZDDIP-PKOBYXMFSA-N 0 3 359.491 3.090 20 10 FGCDHN Cc1cnn(C)c1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000286727373 498490381 /nfs/dbraw/zinc/49/03/81/498490381.db2.gz XPDSKHQLHJZORT-AWEZNQCLSA-N 0 3 350.413 3.089 20 10 FGCDHN COCCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000282495154 498534007 /nfs/dbraw/zinc/53/40/07/498534007.db2.gz HXUDJRUDFNADGY-LBPRGKRZSA-N 0 3 368.275 3.157 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000294746154 498791750 /nfs/dbraw/zinc/79/17/50/498791750.db2.gz HWNRYRCUQSCWER-UHFFFAOYSA-N 0 3 357.523 3.472 20 10 FGCDHN CC[C@@H](C)[C@@H](N)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366344449 498884235 /nfs/dbraw/zinc/88/42/35/498884235.db2.gz FJYSIYLNMIISCA-MLGOLLRUSA-N 0 3 373.419 3.044 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c([O-])c1 ZINC000283884533 499006162 /nfs/dbraw/zinc/00/61/62/499006162.db2.gz CGQKEJHCNHGOAW-SJORKVTESA-N 0 3 355.482 3.480 20 10 FGCDHN CCN1CCN(c2ccc(NC(=O)NCc3ccccc3O)c(C)c2)CC1 ZINC000299463881 499066938 /nfs/dbraw/zinc/06/69/38/499066938.db2.gz CXNRCWOQFXDCMF-UHFFFAOYSA-N 0 3 368.481 3.164 20 10 FGCDHN CCCN1CCN(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000372922061 499195156 /nfs/dbraw/zinc/19/51/56/499195156.db2.gz ATCCLRCOMQHQNO-UHFFFAOYSA-N 0 3 351.922 3.038 20 10 FGCDHN C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000367413779 499196265 /nfs/dbraw/zinc/19/62/65/499196265.db2.gz WECNNSNEPWIREJ-LAUBAEHRSA-N 0 3 371.525 3.107 20 10 FGCDHN COc1ccc(N2CCCN(C(=O)[C@H](C)[C@H](N)c3ccccc3)CC2)cc1 ZINC000370764097 499252638 /nfs/dbraw/zinc/25/26/38/499252638.db2.gz VMNUANDJURMJGM-UTKZUKDTSA-N 0 3 367.493 3.070 20 10 FGCDHN C[C@]1(CNCc2ccc(N3CCOCC3)cc2)OCCc2sccc21 ZINC000368089253 499262997 /nfs/dbraw/zinc/26/29/97/499262997.db2.gz KUPUXYGUOVOTTA-HXUWFJFHSA-N 0 3 358.507 3.162 20 10 FGCDHN C[C@H](NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1nccn1C ZINC000368468761 499299044 /nfs/dbraw/zinc/29/90/44/499299044.db2.gz BWCULIVPQSVTCW-KBPBESRZSA-N 0 3 368.403 3.496 20 10 FGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000369093132 499365037 /nfs/dbraw/zinc/36/50/37/499365037.db2.gz TZKCSZOILCUYDH-UHFFFAOYSA-N 0 3 364.497 3.354 20 10 FGCDHN Cc1nc(CN2CCC[C@@H]([NH2+][C@@H](C)c3cc4c(cc3[O-])CCCC4)C2)no1 ZINC000376304776 499599071 /nfs/dbraw/zinc/59/90/71/499599071.db2.gz HDYYNVHCQVXPIH-KBXCAEBGSA-N 0 3 370.497 3.278 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377865549 499743523 /nfs/dbraw/zinc/74/35/23/499743523.db2.gz SORRPHGUKXEINE-KRWDZBQOSA-N 0 3 369.509 3.496 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377865549 499743524 /nfs/dbraw/zinc/74/35/24/499743524.db2.gz SORRPHGUKXEINE-KRWDZBQOSA-N 0 3 369.509 3.496 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458736563 501518646 /nfs/dbraw/zinc/51/86/46/501518646.db2.gz JRVPAQZGSGBFRQ-OAHLLOKOSA-N 0 3 354.498 3.112 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000471585357 502074966 /nfs/dbraw/zinc/07/49/66/502074966.db2.gz KNASGVZEDYNODD-CVEARBPZSA-N 0 3 356.514 3.406 20 10 FGCDHN COc1ccc(O)c(CN2CCC(NC(=O)c3oc(C)cc3C)CC2)c1 ZINC000527589002 503844777 /nfs/dbraw/zinc/84/47/77/503844777.db2.gz WJXVDUAWNKHZGY-UHFFFAOYSA-N 0 3 358.438 3.005 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000520543120 504525096 /nfs/dbraw/zinc/52/50/96/504525096.db2.gz AFZUUWFXSNQOCN-UHFFFAOYSA-N 0 3 364.449 3.290 20 10 FGCDHN Cc1ccc([O-])c(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1 ZINC000529662004 504754166 /nfs/dbraw/zinc/75/41/66/504754166.db2.gz MPPUHBFWEPKRHI-UHFFFAOYSA-N 0 3 371.481 3.432 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3CN(C)C)ccc21 ZINC000590818102 506978571 /nfs/dbraw/zinc/97/85/71/506978571.db2.gz HUHFXFQDBAWXGG-LJQANCHMSA-N 0 3 371.525 3.461 20 10 FGCDHN C[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C[C@@H]1n1ccnc1 ZINC000091959668 700429437 /nfs/dbraw/zinc/42/94/37/700429437.db2.gz UDGPHXLTGYGNNT-WFASDCNBSA-N 0 3 350.260 3.434 20 10 FGCDHN C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C[C@@H]1n1ccnc1 ZINC000091959668 700429440 /nfs/dbraw/zinc/42/94/40/700429440.db2.gz UDGPHXLTGYGNNT-WFASDCNBSA-N 0 3 350.260 3.434 20 10 FGCDHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000123044289 700699526 /nfs/dbraw/zinc/69/95/26/700699526.db2.gz WLSSZVHJOIBPHG-IYBDPMFKSA-N 0 3 351.922 3.036 20 10 FGCDHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000123044289 700699528 /nfs/dbraw/zinc/69/95/28/700699528.db2.gz WLSSZVHJOIBPHG-IYBDPMFKSA-N 0 3 351.922 3.036 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccc3c2N=S=N3)c1 ZINC000182437807 705841922 /nfs/dbraw/zinc/84/19/22/705841922.db2.gz KFUUOHHHWXXVOH-SNVBAGLBSA-N 0 3 358.423 3.417 20 10 FGCDHN CC1CCN(c2ccc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000182909851 705868399 /nfs/dbraw/zinc/86/83/99/705868399.db2.gz HVDUHVQEGTUNAY-UXHICEINSA-N 0 3 364.555 3.368 20 10 FGCDHN CN1C(=O)C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000779100504 724390257 /nfs/dbraw/zinc/39/02/57/724390257.db2.gz SDBNPMSLMFVRIZ-CRAIPNDOSA-N 0 3 366.795 3.385 20 10 FGCDHN C[C@@H](C(=O)NCc1cc(Br)ccc1O)N1CCCCCC1 ZINC000804734142 724546187 /nfs/dbraw/zinc/54/61/87/724546187.db2.gz DTAVXARHJMLOPP-LBPRGKRZSA-N 0 3 355.276 3.035 20 10 FGCDHN C[C@H](C(=O)NCc1cc(Br)ccc1O)N1CCCCCC1 ZINC000804734138 724546227 /nfs/dbraw/zinc/54/62/27/724546227.db2.gz DTAVXARHJMLOPP-GFCCVEGCSA-N 0 3 355.276 3.035 20 10 FGCDHN Cc1nnc([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)[nH]1 ZINC000781907167 724610405 /nfs/dbraw/zinc/61/04/05/724610405.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 0 3 365.275 3.269 20 10 FGCDHN Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)[nH]1 ZINC000781907167 724610406 /nfs/dbraw/zinc/61/04/06/724610406.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 0 3 365.275 3.269 20 10 FGCDHN Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC000781907167 724610408 /nfs/dbraw/zinc/61/04/08/724610408.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 0 3 365.275 3.269 20 10 FGCDHN Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC000781907167 724610409 /nfs/dbraw/zinc/61/04/09/724610409.db2.gz FGAARQKIOVHWHO-LBPRGKRZSA-N 0 3 365.275 3.269 20 10 FGCDHN Cc1nn(C)c(CNCCCSc2nccs2)c1Br ZINC000790473389 723143515 /nfs/dbraw/zinc/14/35/15/723143515.db2.gz OBLHDFNOIZWMPS-UHFFFAOYSA-N 0 3 361.334 3.220 20 10 FGCDHN C[C@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000765408192 723510884 /nfs/dbraw/zinc/51/08/84/723510884.db2.gz JKPLZXAUEAYQSG-INIZCTEOSA-N 0 3 367.559 3.045 20 10 FGCDHN CCc1nn(C)cc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000770735479 723720269 /nfs/dbraw/zinc/72/02/69/723720269.db2.gz VKSPYAOZXXFAFR-QGZVFWFLSA-N 0 3 362.905 3.096 20 10 FGCDHN CC[C@@H](NCc1ccc(N(C)CC)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000773809373 723826289 /nfs/dbraw/zinc/82/62/89/723826289.db2.gz CDMCRKJTESPRDI-LJQANCHMSA-N 0 3 361.511 3.031 20 10 FGCDHN Cc1ccncc1N1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000798962341 723980584 /nfs/dbraw/zinc/98/05/84/723980584.db2.gz PNLWPJHESKIOOU-UHFFFAOYSA-N 0 3 362.271 3.180 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000801735614 724329080 /nfs/dbraw/zinc/32/90/80/724329080.db2.gz VXYXFAYOXPUAMA-QGZVFWFLSA-N 0 3 366.255 3.377 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000806179483 725119797 /nfs/dbraw/zinc/11/97/97/725119797.db2.gz RWMREUJKJRTGDC-JSGCOSHPSA-N 0 3 365.271 3.285 20 10 FGCDHN CC(C)N1CC[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)C1=O ZINC000823893132 729311658 /nfs/dbraw/zinc/31/16/58/729311658.db2.gz SAFSXWHUJIMGLJ-LJQANCHMSA-N 0 3 357.523 3.483 20 10 FGCDHN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000826902973 729418577 /nfs/dbraw/zinc/41/85/77/729418577.db2.gz NIBOFZUPRDNDOL-WQVCFCJDSA-N 0 3 372.303 3.119 20 10 FGCDHN O=S(=O)(CCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(Cl)cc1 ZINC000834814868 729836126 /nfs/dbraw/zinc/83/61/26/729836126.db2.gz PXXLTNCKNOUVKY-INIZCTEOSA-N 0 3 365.882 3.487 20 10 FGCDHN CCS(=O)(=O)c1ccc(CNC/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835043798 729852848 /nfs/dbraw/zinc/85/28/48/729852848.db2.gz ZILBLPAHQIRRRQ-AATRIKPKSA-N 0 3 358.507 3.349 20 10 FGCDHN O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC000844742325 730761133 /nfs/dbraw/zinc/76/11/33/730761133.db2.gz UDRBXQZRAWWOSZ-BYVOGVQKSA-N 0 3 366.280 3.013 20 10 FGCDHN O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC000844742325 730761135 /nfs/dbraw/zinc/76/11/35/730761135.db2.gz UDRBXQZRAWWOSZ-BYVOGVQKSA-N 0 3 366.280 3.013 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1[O-] ZINC000846210679 730936725 /nfs/dbraw/zinc/93/67/25/730936725.db2.gz BHZBYDYVOFZZTB-WBMJQRKESA-N 0 3 358.276 3.045 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCOCC(F)(F)F)c1[O-] ZINC000848527264 731175567 /nfs/dbraw/zinc/17/55/67/731175567.db2.gz XCRIVQIEUDCDCF-QMMMGPOBSA-N 0 3 372.181 3.393 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)c1[O-] ZINC000848535048 731177071 /nfs/dbraw/zinc/17/70/71/731177071.db2.gz CLHYFNGJGFEOMP-ONGXEEELSA-N 0 3 368.275 3.477 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c1[O-] ZINC000850545547 731371642 /nfs/dbraw/zinc/37/16/42/731371642.db2.gz HBDLIVIYNPYCEN-ZYHUDNBSSA-N 0 3 358.276 3.223 20 10 FGCDHN [O-]c1ccccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858241079 732195961 /nfs/dbraw/zinc/19/59/61/732195961.db2.gz WTISWDUNTYZMBF-GOSISDBHSA-N 0 3 362.267 3.164 20 10 FGCDHN CC[C@@H]1[C@@H]([NH2+]Cc2c([O-])cccc2OC)CCN1C(=O)OC(C)(C)C ZINC000858253069 732197300 /nfs/dbraw/zinc/19/73/00/732197300.db2.gz DHFLVUWUDXJGPV-LSDHHAIUSA-N 0 3 350.459 3.278 20 10 FGCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c([O-])c1 ZINC000858326477 732203416 /nfs/dbraw/zinc/20/34/16/732203416.db2.gz QQZCIYJDMFGRNL-XJKSGUPXSA-N 0 3 350.459 3.278 20 10 FGCDHN [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[C@@H]1C(F)(F)F ZINC000863646852 732989894 /nfs/dbraw/zinc/98/98/94/732989894.db2.gz QDGQZFOCDVCYMI-JQWIXIFHSA-N 0 3 367.209 3.114 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1[O-] ZINC000866463054 733352821 /nfs/dbraw/zinc/35/28/21/733352821.db2.gz HQRPHEZALHDWFC-QRPMWFLTSA-N 0 3 372.181 3.126 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1[O-] ZINC000872111852 735589821 /nfs/dbraw/zinc/58/98/21/735589821.db2.gz GSVZTFWZEYQHBP-NWDGAFQWSA-N 0 3 356.260 3.457 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)CC(F)(F)F)N(C)C)cc1 ZINC000891245239 739885831 /nfs/dbraw/zinc/88/58/31/739885831.db2.gz AXGAGXMGAAMRIU-HNNXBMFYSA-N 0 3 359.436 3.450 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3ncc(C(=O)OC)s3)C2)c([O-])c1 ZINC000896967972 742623537 /nfs/dbraw/zinc/62/35/37/742623537.db2.gz ARUOBAADOAWNMM-ZDUSSCGKSA-N 0 3 362.451 3.024 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3ncc(C(=O)OC)s3)C2)c([O-])c1 ZINC000896967972 742623538 /nfs/dbraw/zinc/62/35/38/742623538.db2.gz ARUOBAADOAWNMM-ZDUSSCGKSA-N 0 3 362.451 3.024 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1[O-] ZINC000898065454 742740553 /nfs/dbraw/zinc/74/05/53/742740553.db2.gz KFSOJNMFFONRRY-BLLLJJGKSA-N 0 3 368.271 3.212 20 10 FGCDHN CCn1cnc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000902165879 743717088 /nfs/dbraw/zinc/71/70/88/743717088.db2.gz GTIYAIHCJBXXGP-UHFFFAOYSA-N 0 3 350.413 3.263 20 10 FGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)CC2 ZINC000903264799 743831995 /nfs/dbraw/zinc/83/19/95/743831995.db2.gz UHQDGIJZMJJFBQ-HVEKOLDVSA-N 0 3 355.425 3.172 20 10 FGCDHN C[C@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1cc(F)ccc1[O-] ZINC000903426571 743849652 /nfs/dbraw/zinc/84/96/52/743849652.db2.gz ZSPWFCBWGIDPPG-LBPRGKRZSA-N 0 3 364.442 3.286 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1[O-] ZINC000926935550 759851956 /nfs/dbraw/zinc/85/19/56/759851956.db2.gz JTIARJQXVRGRRI-CZXHOFHRSA-N 0 3 368.271 3.405 20 10 FGCDHN COC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779014167 724381102 /nfs/dbraw/zinc/38/11/02/724381102.db2.gz WFJMDHDGSMHWMJ-LLVKDONJSA-N 0 3 371.275 3.345 20 10 FGCDHN CN(C)c1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124105473 495234511 /nfs/dbraw/zinc/23/45/11/495234511.db2.gz TYVCRDAIBGDCQZ-GOSISDBHSA-N 0 3 353.514 3.450 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCN(C)C[C@@H]3C)cc2)CC1 ZINC000120547350 495402623 /nfs/dbraw/zinc/40/26/23/495402623.db2.gz UUADOMZFMSWTOP-GHTZIAJQSA-N 0 3 372.557 3.405 20 10 FGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc(OC)ccc1O ZINC000186164388 495880363 /nfs/dbraw/zinc/88/03/63/495880363.db2.gz LFQBREOWPUBDLR-CABCVRRESA-N 0 3 363.479 3.304 20 10 FGCDHN CCn1cc([C@H](C)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000155290588 495906037 /nfs/dbraw/zinc/90/60/37/495906037.db2.gz TYUANKRGZNFXQA-INIZCTEOSA-N 0 3 359.493 3.035 20 10 FGCDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000160333751 495938866 /nfs/dbraw/zinc/93/88/66/495938866.db2.gz JVPNXNGBVBXPDF-WMLDXEAASA-N 0 3 357.477 3.382 20 10 FGCDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000183714588 496090468 /nfs/dbraw/zinc/09/04/68/496090468.db2.gz CONQVJLLHIQUFI-MRXNPFEDSA-N 0 3 362.514 3.105 20 10 FGCDHN COc1cccc(CN2CCC(NC(=O)c3ccccc3C)CC2)c1O ZINC000153285706 496409658 /nfs/dbraw/zinc/40/96/58/496409658.db2.gz HSTHNIMEADXTJH-UHFFFAOYSA-N 0 3 354.450 3.104 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)c3ccccc3F)CC2)c1O ZINC000153343072 496425388 /nfs/dbraw/zinc/42/53/88/496425388.db2.gz HRBLQXFSLSZTCE-UHFFFAOYSA-N 0 3 372.440 3.324 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904022 496579125 /nfs/dbraw/zinc/57/91/25/496579125.db2.gz HTNAPOWDIDQJLR-JXFKEZNVSA-N 0 3 356.466 3.125 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000184904022 496579129 /nfs/dbraw/zinc/57/91/29/496579129.db2.gz HTNAPOWDIDQJLR-JXFKEZNVSA-N 0 3 356.466 3.125 20 10 FGCDHN C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc2c(cc1[O-])CCCC2 ZINC000184955826 496599491 /nfs/dbraw/zinc/59/94/91/496599491.db2.gz KRCWDSSPEJSSQN-OAHLLOKOSA-N 0 3 354.498 3.482 20 10 FGCDHN C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165028284 496645039 /nfs/dbraw/zinc/64/50/39/496645039.db2.gz NXODSEQNTRGOPQ-MRXNPFEDSA-N 0 3 371.456 3.342 20 10 FGCDHN CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)cc(OC)c2[O-])n1 ZINC000191512346 496792727 /nfs/dbraw/zinc/79/27/27/496792727.db2.gz CYVOTJYOCGLLCG-UHFFFAOYSA-N 0 3 370.858 3.020 20 10 FGCDHN COc1c([O-])c(CNC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278838088 497237533 /nfs/dbraw/zinc/23/75/33/497237533.db2.gz JOIUNXOVUATQGV-UHFFFAOYSA-N 0 3 363.458 3.053 20 10 FGCDHN COc1c([O-])c(C[NH2+]C2CCN(CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278838088 497237536 /nfs/dbraw/zinc/23/75/36/497237536.db2.gz JOIUNXOVUATQGV-UHFFFAOYSA-N 0 3 363.458 3.053 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H](O)c1c(F)cccc1F ZINC000271876002 497477062 /nfs/dbraw/zinc/47/70/62/497477062.db2.gz ZEUDYFKATNMYIQ-AUUYWEPGSA-N 0 3 367.392 3.289 20 10 FGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272949505 497769211 /nfs/dbraw/zinc/76/92/11/497769211.db2.gz MPDNCHUWWXDVKX-QGZVFWFLSA-N 0 3 358.530 3.323 20 10 FGCDHN COC1CCN(c2ccc(CN3CCS[C@H]4COCC[C@H]43)cc2)CC1 ZINC000296685546 498152765 /nfs/dbraw/zinc/15/27/65/498152765.db2.gz CAXRCMZOZUCFNJ-UXHICEINSA-N 0 3 362.539 3.008 20 10 FGCDHN COC1CCN(c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000296685548 498152875 /nfs/dbraw/zinc/15/28/75/498152875.db2.gz CAXRCMZOZUCFNJ-VQTJNVASSA-N 0 3 362.539 3.008 20 10 FGCDHN COc1cc([O-])c(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1OC ZINC000294087547 498584784 /nfs/dbraw/zinc/58/47/84/498584784.db2.gz ZHTZIOQPVWUIHQ-UHFFFAOYSA-N 0 3 356.344 3.156 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000294122587 498596530 /nfs/dbraw/zinc/59/65/30/498596530.db2.gz PDEOLDODXSQLQH-SMDDNHRTSA-N 0 3 355.276 3.021 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CNCC(=O)NCC(F)(F)F)cc1 ZINC000294952348 498860773 /nfs/dbraw/zinc/86/07/73/498860773.db2.gz FKKIJODEYDHHJS-UHFFFAOYSA-N 0 3 371.428 3.153 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000363862386 499029312 /nfs/dbraw/zinc/02/93/12/499029312.db2.gz ITIAZRLUGWPIIF-WMZOPIPTSA-N 0 3 355.482 3.359 20 10 FGCDHN C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000366699451 499037433 /nfs/dbraw/zinc/03/74/33/499037433.db2.gz VPSXCPQCXCESSQ-SBUREZEXSA-N 0 3 365.521 3.485 20 10 FGCDHN CC(C)(C)NS(=O)(=O)c1ccccc1CN[C@H]1CCc2cccc(O)c21 ZINC000295776092 499099987 /nfs/dbraw/zinc/09/99/87/499099987.db2.gz AQJOBXUHZLOOEW-INIZCTEOSA-N 0 3 374.506 3.246 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1 ZINC000367227983 499164651 /nfs/dbraw/zinc/16/46/51/499164651.db2.gz CBKRIEBBSCTPNA-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1 ZINC000367227983 499164653 /nfs/dbraw/zinc/16/46/53/499164653.db2.gz CBKRIEBBSCTPNA-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(Cl)c1[O-] ZINC000367909416 499244273 /nfs/dbraw/zinc/24/42/73/499244273.db2.gz GNIQWLKENYBRIJ-KBXCAEBGSA-N 0 3 351.922 3.255 20 10 FGCDHN COc1cccc(CN2CCC(C(=O)Nc3nc(C)cs3)CC2)c1O ZINC000371394990 499320272 /nfs/dbraw/zinc/32/02/72/499320272.db2.gz BNXKQPQPQKFEEA-UHFFFAOYSA-N 0 3 361.467 3.016 20 10 FGCDHN COc1cccc(C[NH+]2CCC(C(=O)Nc3nc(C)cs3)CC2)c1[O-] ZINC000371394990 499320273 /nfs/dbraw/zinc/32/02/73/499320273.db2.gz BNXKQPQPQKFEEA-UHFFFAOYSA-N 0 3 361.467 3.016 20 10 FGCDHN COc1ccc([C@@H](O)[C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000371422276 499324674 /nfs/dbraw/zinc/32/46/74/499324674.db2.gz DZYQMOHWGNSAEF-DYESRHJHSA-N 0 3 373.449 3.116 20 10 FGCDHN COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000371422276 499324675 /nfs/dbraw/zinc/32/46/75/499324675.db2.gz DZYQMOHWGNSAEF-DYESRHJHSA-N 0 3 373.449 3.116 20 10 FGCDHN CCn1ncc2c1CCC[C@@H]2N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000371485139 499333028 /nfs/dbraw/zinc/33/30/28/499333028.db2.gz KSOVMMDOOHZQKS-JXFKEZNVSA-N 0 3 354.498 3.468 20 10 FGCDHN COc1ccc(N2CCC(N[C@H](C)C(=O)Nc3ccccc3)CC2)cc1 ZINC000368874784 499342299 /nfs/dbraw/zinc/34/22/99/499342299.db2.gz IALQWTDZHMPTMF-MRXNPFEDSA-N 0 3 353.466 3.281 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369519607 499412132 /nfs/dbraw/zinc/41/21/32/499412132.db2.gz BYLZMFWPJSXIML-KDOFPFPSSA-N 0 3 359.495 3.288 20 10 FGCDHN CCc1nccc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000372442839 499435367 /nfs/dbraw/zinc/43/53/67/499435367.db2.gz ZYEBTBLDDWSJNV-LJQANCHMSA-N 0 3 366.509 3.255 20 10 FGCDHN COCCn1ncc2c1[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])CCC2 ZINC000375205703 499495364 /nfs/dbraw/zinc/49/53/64/499495364.db2.gz FFRIUQFHVVZLNE-OAHLLOKOSA-N 0 3 365.861 3.064 20 10 FGCDHN COc1cccc(C[NH+]2CCC(c3nnc4cc(C)ccn43)CC2)c1[O-] ZINC000375354377 499510067 /nfs/dbraw/zinc/51/00/67/499510067.db2.gz FXMRKGBNIIWACS-UHFFFAOYSA-N 0 3 352.438 3.132 20 10 FGCDHN Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([O-])c1O ZINC000378573202 499533075 /nfs/dbraw/zinc/53/30/75/499533075.db2.gz RAMUQPFRXAZIMP-QFBILLFUSA-N 0 3 368.477 3.389 20 10 FGCDHN Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c([O-])c1O ZINC000378573202 499533076 /nfs/dbraw/zinc/53/30/76/499533076.db2.gz RAMUQPFRXAZIMP-QFBILLFUSA-N 0 3 368.477 3.389 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000377803574 499736577 /nfs/dbraw/zinc/73/65/77/499736577.db2.gz YAUUTHMJZYMGMV-JQWIXIFHSA-N 0 3 350.260 3.394 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1[O-] ZINC000377803574 499736579 /nfs/dbraw/zinc/73/65/79/499736579.db2.gz YAUUTHMJZYMGMV-JQWIXIFHSA-N 0 3 350.260 3.394 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000471585359 502074291 /nfs/dbraw/zinc/07/42/91/502074291.db2.gz KNASGVZEDYNODD-HZPDHXFCSA-N 0 3 356.514 3.406 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(C(C)C)CC3)ccc21 ZINC000486494458 502170247 /nfs/dbraw/zinc/17/02/47/502170247.db2.gz CYIYGSRLRHTMNR-UHFFFAOYSA-N 0 3 371.525 3.461 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000472227397 502277020 /nfs/dbraw/zinc/27/70/20/502277020.db2.gz WDKURNDDSKRQHX-QGZVFWFLSA-N 0 3 354.498 3.257 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000472239899 502281741 /nfs/dbraw/zinc/28/17/41/502281741.db2.gz MSCBRFXZTZRBNV-AEFFLSMTSA-N 0 3 354.498 3.112 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000472244698 502282929 /nfs/dbraw/zinc/28/29/29/502282929.db2.gz ZICHKSBMHOOHTR-UHFFFAOYSA-N 0 3 354.498 3.257 20 10 FGCDHN COc1ccc(O)c(CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000529666544 504755202 /nfs/dbraw/zinc/75/52/02/504755202.db2.gz UTEAQWFECRQFLP-HNNXBMFYSA-N 0 3 364.804 3.088 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3[C@@H]4CC[C@H]3CCN(C)C4)ccc21 ZINC000552421921 505488576 /nfs/dbraw/zinc/48/85/76/505488576.db2.gz SWHICZMAVNGLCY-RBUKOAKNSA-N 0 3 369.509 3.213 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000093643860 700453012 /nfs/dbraw/zinc/45/30/12/700453012.db2.gz HCWBTVIFXKWHAS-FZMZJTMJSA-N 0 3 357.292 3.078 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000093643860 700453013 /nfs/dbraw/zinc/45/30/13/700453013.db2.gz HCWBTVIFXKWHAS-FZMZJTMJSA-N 0 3 357.292 3.078 20 10 FGCDHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccsc1 ZINC000180652734 705751596 /nfs/dbraw/zinc/75/15/96/705751596.db2.gz JVOQCSFEQZCADD-BVBGJJFLSA-N 0 3 360.479 3.372 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c([O-])c1 ZINC000185288954 712690698 /nfs/dbraw/zinc/69/06/98/712690698.db2.gz RHVOXNGULRSMGR-HNNXBMFYSA-N 0 3 360.479 3.091 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000783596629 724769882 /nfs/dbraw/zinc/76/98/82/724769882.db2.gz ZIDXZYPUHYDOIW-LBPRGKRZSA-N 0 3 355.360 3.453 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000783596629 724769885 /nfs/dbraw/zinc/76/98/85/724769885.db2.gz ZIDXZYPUHYDOIW-LBPRGKRZSA-N 0 3 355.360 3.453 20 10 FGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000731843417 722478483 /nfs/dbraw/zinc/47/84/83/722478483.db2.gz DIDSZTSDDMUHMZ-OAHLLOKOSA-N 0 3 355.356 3.283 20 10 FGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000731843417 722478484 /nfs/dbraw/zinc/47/84/84/722478484.db2.gz DIDSZTSDDMUHMZ-OAHLLOKOSA-N 0 3 355.356 3.283 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2(CO)CCCCC2)c1[O-] ZINC000751509004 722811283 /nfs/dbraw/zinc/81/12/83/722811283.db2.gz GEVGRNZWIHKBBJ-UHFFFAOYSA-N 0 3 358.276 3.196 20 10 FGCDHN COc1cccc([O-])c1C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000769387759 723683954 /nfs/dbraw/zinc/68/39/54/723683954.db2.gz NKZDRBVUTUNUIF-UHFFFAOYSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769424056 723685339 /nfs/dbraw/zinc/68/53/39/723685339.db2.gz QOUKIMDLUWZQEA-ZFWWWQNUSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769424056 723685340 /nfs/dbraw/zinc/68/53/40/723685340.db2.gz QOUKIMDLUWZQEA-ZFWWWQNUSA-N 0 3 350.459 3.136 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000797140927 723786222 /nfs/dbraw/zinc/78/62/22/723786222.db2.gz OSIYMDREVXLTRF-AGIUHOORSA-N 0 3 362.499 3.428 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000775048888 723956016 /nfs/dbraw/zinc/95/60/16/723956016.db2.gz WJLYWSBSXPVKDR-ZIAGYGMSSA-N 0 3 350.459 3.278 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1ccccc1[O-] ZINC000775492175 723995625 /nfs/dbraw/zinc/99/56/25/723995625.db2.gz MYIFPRNEKORNAJ-SFHVURJKSA-N 0 3 362.495 3.320 20 10 FGCDHN Cc1cccc(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1O ZINC000775689839 724025609 /nfs/dbraw/zinc/02/56/09/724025609.db2.gz MWEBICDEQICBMZ-LJQANCHMSA-N 0 3 360.885 3.205 20 10 FGCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806138322 725117509 /nfs/dbraw/zinc/11/75/09/725117509.db2.gz UBUNLHDKDXYZHC-MAUKXSAKSA-N 0 3 353.938 3.360 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000806179482 725119815 /nfs/dbraw/zinc/11/98/15/725119815.db2.gz RWMREUJKJRTGDC-GXTWGEPZSA-N 0 3 365.271 3.285 20 10 FGCDHN NC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000808226608 725188674 /nfs/dbraw/zinc/18/86/74/725188674.db2.gz GJXBPLPGABGBQM-NSHDSACASA-N 0 3 363.255 3.005 20 10 FGCDHN NC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000808226608 725188675 /nfs/dbraw/zinc/18/86/75/725188675.db2.gz GJXBPLPGABGBQM-NSHDSACASA-N 0 3 363.255 3.005 20 10 FGCDHN COc1cccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000813792622 726914761 /nfs/dbraw/zinc/91/47/61/726914761.db2.gz SQALUEFOHMZLHG-CQSZACIVSA-N 0 3 370.218 3.126 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000824099198 729319471 /nfs/dbraw/zinc/31/94/71/729319471.db2.gz ROCGGPCAEZHPHT-INIZCTEOSA-N 0 3 355.507 3.237 20 10 FGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)CC2 ZINC000834783112 729833869 /nfs/dbraw/zinc/83/38/69/729833869.db2.gz CSGKMJNWCNKSOG-MLGOLLRUSA-N 0 3 351.368 3.238 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c2c1c(F)ccc2[O-] ZINC000834828366 729837671 /nfs/dbraw/zinc/83/76/71/729837671.db2.gz SILHSHKJPXYLRV-JMSVASOKSA-N 0 3 361.438 3.240 20 10 FGCDHN COc1cc(Br)cc(CN2CCC([C@H](C)CO)CC2)c1O ZINC000846058181 730924167 /nfs/dbraw/zinc/92/41/67/730924167.db2.gz MXGUKERALXNFOH-LLVKDONJSA-N 0 3 358.276 3.004 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccccn2)c1[O-] ZINC000848514924 731173868 /nfs/dbraw/zinc/17/38/68/731173868.db2.gz TYANVONXFJCIGY-LLVKDONJSA-N 0 3 351.244 3.452 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)c1[O-] ZINC000848518692 731174155 /nfs/dbraw/zinc/17/41/55/731174155.db2.gz MQRQJJCGPFYUKC-TUKIKUTGSA-N 0 3 369.303 3.441 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2c[nH]nc2C)c1[O-] ZINC000848520577 731174830 /nfs/dbraw/zinc/17/48/30/731174830.db2.gz ZPYFWJVQBHZTDS-LLVKDONJSA-N 0 3 368.275 3.478 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)c1[O-] ZINC000848522966 731174860 /nfs/dbraw/zinc/17/48/60/731174860.db2.gz ZUKSQCJDGAAJCC-LLVKDONJSA-N 0 3 369.303 3.441 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1[O-] ZINC000848524586 731175291 /nfs/dbraw/zinc/17/52/91/731175291.db2.gz HDDQHCMOCQLANC-QWRGUYRKSA-N 0 3 366.259 3.235 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)c1[O-] ZINC000848528849 731175942 /nfs/dbraw/zinc/17/59/42/731175942.db2.gz ILAZUYZUZIMKLH-GWCFXTLKSA-N 0 3 370.243 3.449 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCOc2cccnc2)c1[O-] ZINC000848529971 731175976 /nfs/dbraw/zinc/17/59/76/731175976.db2.gz APQWSHORVCHASE-NSHDSACASA-N 0 3 367.243 3.288 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000848551321 731180191 /nfs/dbraw/zinc/18/01/91/731180191.db2.gz JPKAYTQVFHVRCO-ONGXEEELSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)NCc2n[nH]c(C(C)C)n2)c1O ZINC000848553285 731180483 /nfs/dbraw/zinc/18/04/83/731180483.db2.gz JLVWKBYTTGGVIS-SECBINFHSA-N 0 3 369.263 3.256 20 10 FGCDHN CCCn1nccc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000850137142 731324093 /nfs/dbraw/zinc/32/40/93/731324093.db2.gz KELCUGHEUTVNNH-QGZVFWFLSA-N 0 3 362.905 3.406 20 10 FGCDHN COc1ccc(N2CC[C@@H](NCc3cnc([C@@H]4CCCO4)s3)C2)cc1 ZINC000850347140 731345197 /nfs/dbraw/zinc/34/51/97/731345197.db2.gz OGZLSWNVCSBTST-KDOFPFPSSA-N 0 3 359.495 3.372 20 10 FGCDHN CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000850350413 731346460 /nfs/dbraw/zinc/34/64/60/731346460.db2.gz RRRAPZSYHQRORJ-AWEZNQCLSA-N 0 3 358.276 3.458 20 10 FGCDHN COc1ccc(CN[C@H](CO)c2sccc2C)cc1Cn1cccn1 ZINC000873069331 735717344 /nfs/dbraw/zinc/71/73/44/735717344.db2.gz CJSUOXWAWGBIPQ-QGZVFWFLSA-N 0 3 357.479 3.133 20 10 FGCDHN COC(=O)c1csc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000876987486 736170931 /nfs/dbraw/zinc/17/09/31/736170931.db2.gz XTZMNGIWOLBTJE-CQSZACIVSA-N 0 3 360.479 3.222 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@H]1CCCOC1 ZINC000883353189 737556932 /nfs/dbraw/zinc/55/69/32/737556932.db2.gz PZDSKIQCJRVQET-SMDDNHRTSA-N 0 3 358.276 3.458 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncc(Br)n3C2)c([O-])c1 ZINC000903477863 743854381 /nfs/dbraw/zinc/85/43/81/743854381.db2.gz DCNJLPVTEBKIBJ-VXGBXAGGSA-N 0 3 350.260 3.325 20 10 FGCDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cn(C)cn1 ZINC000924905695 759414482 /nfs/dbraw/zinc/41/44/82/759414482.db2.gz ISTNAHWVWIYYDC-CYBMUJFWSA-N 0 3 350.413 3.341 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925791677 759540418 /nfs/dbraw/zinc/54/04/18/759540418.db2.gz NFMNYDKLFNHYOZ-OLZOCXBDSA-N 0 3 358.404 3.220 20 10 FGCDHN C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925791677 759540432 /nfs/dbraw/zinc/54/04/32/759540432.db2.gz NFMNYDKLFNHYOZ-OLZOCXBDSA-N 0 3 358.404 3.220 20 10 FGCDHN CNC(=O)C1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779017526 724381487 /nfs/dbraw/zinc/38/14/87/724381487.db2.gz KRXNNZNOSWIKDH-LKSINWNRSA-N 0 3 369.303 3.419 20 10 FGCDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090183247 494454428 /nfs/dbraw/zinc/45/44/28/494454428.db2.gz BHKVLKVSWMUCSI-OAHLLOKOSA-N 0 3 368.518 3.291 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000092645071 494692869 /nfs/dbraw/zinc/69/28/69/494692869.db2.gz OAHXWHGIFKSUAW-UHFFFAOYSA-N 0 3 370.497 3.299 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000092645071 494692878 /nfs/dbraw/zinc/69/28/78/494692878.db2.gz OAHXWHGIFKSUAW-UHFFFAOYSA-N 0 3 370.497 3.299 20 10 FGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cccc(CO)c3)cc2F)CC1 ZINC000121740488 494849960 /nfs/dbraw/zinc/84/99/60/494849960.db2.gz XMNKNNDUKRHLJY-KRWDZBQOSA-N 0 3 371.500 3.311 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093685091 494912295 /nfs/dbraw/zinc/91/22/95/494912295.db2.gz YXECJYMFGWZTQE-CQSZACIVSA-N 0 3 374.403 3.024 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093685091 494912297 /nfs/dbraw/zinc/91/22/97/494912297.db2.gz YXECJYMFGWZTQE-CQSZACIVSA-N 0 3 374.403 3.024 20 10 FGCDHN Cc1nn(C)c2ncc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)cc12 ZINC000111233038 495051259 /nfs/dbraw/zinc/05/12/59/495051259.db2.gz CORWTHBVXVNRNJ-SFHVURJKSA-N 0 3 366.465 3.164 20 10 FGCDHN CCOc1cccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1[O-] ZINC000111405859 495071981 /nfs/dbraw/zinc/07/19/81/495071981.db2.gz COWJSIIDEUQQLL-UHFFFAOYSA-N 0 3 354.450 3.203 20 10 FGCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000155270845 495899257 /nfs/dbraw/zinc/89/92/57/495899257.db2.gz OPYNYMFJENMBDD-KBXCAEBGSA-N 0 3 362.495 3.444 20 10 FGCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000183428513 495979133 /nfs/dbraw/zinc/97/91/33/495979133.db2.gz BFIDACRQIXTPOT-GJZGRUSLSA-N 0 3 354.450 3.461 20 10 FGCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000183450657 495989075 /nfs/dbraw/zinc/98/90/75/495989075.db2.gz NDCOCJWRRHODDE-ZDUSSCGKSA-N 0 3 368.433 3.267 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(C)ccc2O)cc1 ZINC000172112379 496169278 /nfs/dbraw/zinc/16/92/78/496169278.db2.gz NUGHPAVEBHBXGU-UHFFFAOYSA-N 0 3 362.495 3.021 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000172112379 496169283 /nfs/dbraw/zinc/16/92/83/496169283.db2.gz NUGHPAVEBHBXGU-UHFFFAOYSA-N 0 3 362.495 3.021 20 10 FGCDHN COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178449465 496461647 /nfs/dbraw/zinc/46/16/47/496461647.db2.gz PZALFHKTBWESRC-YWZLYKJASA-N 0 3 374.456 3.055 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000184894235 496573828 /nfs/dbraw/zinc/57/38/28/496573828.db2.gz OVUHMMBWZYZGIC-MRXNPFEDSA-N 0 3 356.466 3.084 20 10 FGCDHN COc1cc(Cl)cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000184939503 496593440 /nfs/dbraw/zinc/59/34/40/496593440.db2.gz JFORUXBJIUFRQO-NPMXOYFQSA-N 0 3 353.871 3.264 20 10 FGCDHN CCCOc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c([O-])c1 ZINC000264542565 496924641 /nfs/dbraw/zinc/92/46/41/496924641.db2.gz RUILJAXXYAHJTQ-UHFFFAOYSA-N 0 3 352.438 3.111 20 10 FGCDHN CC1(C)OCc2cc(CNCc3ccc(N4CCOCC4)cc3)ccc2O1 ZINC000274414992 497093327 /nfs/dbraw/zinc/09/33/27/497093327.db2.gz WUBRFWBXHQPFHK-UHFFFAOYSA-N 0 3 368.477 3.458 20 10 FGCDHN COc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000271179123 497282417 /nfs/dbraw/zinc/28/24/17/497282417.db2.gz LDXBHMAVQHZSSK-ZFWWWQNUSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000271179123 497282424 /nfs/dbraw/zinc/28/24/24/497282424.db2.gz LDXBHMAVQHZSSK-ZFWWWQNUSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000271179123 497282429 /nfs/dbraw/zinc/28/24/29/497282429.db2.gz LDXBHMAVQHZSSK-ZFWWWQNUSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754745 497440080 /nfs/dbraw/zinc/44/00/80/497440080.db2.gz CPBOMBPOULOZPQ-BBRMVZONSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754745 497440085 /nfs/dbraw/zinc/44/00/85/497440085.db2.gz CPBOMBPOULOZPQ-BBRMVZONSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754745 497440087 /nfs/dbraw/zinc/44/00/87/497440087.db2.gz CPBOMBPOULOZPQ-BBRMVZONSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc([O-])c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000272150315 497549604 /nfs/dbraw/zinc/54/96/04/497549604.db2.gz ZYVCSYGWPVXWPE-NRFANRHFSA-N 0 3 371.433 3.422 20 10 FGCDHN Cc1ccc(N)cc1C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000279879322 497574195 /nfs/dbraw/zinc/57/41/95/497574195.db2.gz FQFPUHVBTHOXAZ-UHFFFAOYSA-N 0 3 364.493 3.362 20 10 FGCDHN CCOC1CC(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])(N2CCOCC2)C1 ZINC000280093852 497646952 /nfs/dbraw/zinc/64/69/52/497646952.db2.gz MQLVXUZTHNLVFL-MOMVYJMYSA-N 0 3 362.514 3.011 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191207761 497743931 /nfs/dbraw/zinc/74/39/31/497743931.db2.gz OGLXYRRRCDLHPT-ZDUSSCGKSA-N 0 3 350.409 3.462 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364261184 497867739 /nfs/dbraw/zinc/86/77/39/497867739.db2.gz VKLZAVMMCLYPJQ-CYBMUJFWSA-N 0 3 369.303 3.283 20 10 FGCDHN Fc1cc(CN[C@H](c2nnc[nH]2)C2CCCCC2)ccc1N1CCOCC1 ZINC000292079476 497869625 /nfs/dbraw/zinc/86/96/25/497869625.db2.gz HZSQTGPZDGZQBL-IBGZPJMESA-N 0 3 373.476 3.192 20 10 FGCDHN C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCc4cccc([O-])c43)c2)CCO1 ZINC000296033791 497898481 /nfs/dbraw/zinc/89/84/81/497898481.db2.gz QGEJLMMWMFGWRH-UZLBHIALSA-N 0 3 352.478 3.390 20 10 FGCDHN CCCOc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)c(O)c1 ZINC000284832263 497915498 /nfs/dbraw/zinc/91/54/98/497915498.db2.gz VWOFGTHFKCKXEK-LJQANCHMSA-N 0 3 359.470 3.172 20 10 FGCDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1CO)c1ccc(N2CCOCC2)cc1 ZINC000364584181 498036378 /nfs/dbraw/zinc/03/63/78/498036378.db2.gz VLIHWOLFBBXVJP-NYDSKATKSA-N 0 3 366.505 3.470 20 10 FGCDHN COc1ccc(O)c(CN[C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000289932787 498358098 /nfs/dbraw/zinc/35/80/98/498358098.db2.gz XZGKFJZSRKMMSP-KRWDZBQOSA-N 0 3 366.255 3.161 20 10 FGCDHN Cc1cnccc1OC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000365833729 498662031 /nfs/dbraw/zinc/66/20/31/498662031.db2.gz RRMKFOGOZOZLML-UHFFFAOYSA-N 0 3 367.493 3.270 20 10 FGCDHN CON(C)C(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000291192714 498837541 /nfs/dbraw/zinc/83/75/41/498837541.db2.gz GTGXTWMCEFUUCA-UHFFFAOYSA-N 0 3 354.450 3.291 20 10 FGCDHN Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c([O-])c1O ZINC000366305160 498866181 /nfs/dbraw/zinc/86/61/81/498866181.db2.gz PVLSRQZQIRHDAC-QZTJIDSGSA-N 0 3 366.461 3.000 20 10 FGCDHN Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([O-])c1O ZINC000366305160 498866184 /nfs/dbraw/zinc/86/61/84/498866184.db2.gz PVLSRQZQIRHDAC-QZTJIDSGSA-N 0 3 366.461 3.000 20 10 FGCDHN Cc1cc(C)c([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000283903520 499009628 /nfs/dbraw/zinc/00/96/28/499009628.db2.gz DBCZDYUZVBHPGV-OAHLLOKOSA-N 0 3 362.495 3.110 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000367376686 499190894 /nfs/dbraw/zinc/19/08/94/499190894.db2.gz CULIUUYUHIDWBG-XYJFISCASA-N 0 3 358.461 3.178 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000367376686 499190897 /nfs/dbraw/zinc/19/08/97/499190897.db2.gz CULIUUYUHIDWBG-XYJFISCASA-N 0 3 358.461 3.178 20 10 FGCDHN COc1ccc(N2CCC(N(C)Cc3cnn4ccccc34)CC2)cc1 ZINC000367428273 499197677 /nfs/dbraw/zinc/19/76/77/499197677.db2.gz GVCDTQLWMKKTQN-UHFFFAOYSA-N 0 3 350.466 3.444 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000368031239 499257240 /nfs/dbraw/zinc/25/72/40/499257240.db2.gz SKILIRUBNUVUJE-OAHLLOKOSA-N 0 3 359.470 3.355 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1 ZINC000368031239 499257242 /nfs/dbraw/zinc/25/72/42/499257242.db2.gz SKILIRUBNUVUJE-OAHLLOKOSA-N 0 3 359.470 3.355 20 10 FGCDHN Cc1c[nH]nc1CNC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368074096 499261882 /nfs/dbraw/zinc/26/18/82/499261882.db2.gz UCKXODINOJHZCI-CYBMUJFWSA-N 0 3 354.376 3.233 20 10 FGCDHN COc1cccc(C(=O)NC2CC[NH+](Cc3cccc(C)c3[O-])CC2)c1 ZINC000371478293 499332452 /nfs/dbraw/zinc/33/24/52/499332452.db2.gz VONAHBGROGMCIA-UHFFFAOYSA-N 0 3 354.450 3.104 20 10 FGCDHN CCCOc1ccc(C[NH2+][C@@H]2CCCc3cnn(CCOC)c32)c([O-])c1 ZINC000368857569 499340350 /nfs/dbraw/zinc/34/03/50/499340350.db2.gz WJZUPIXWSYQIQJ-GOSISDBHSA-N 0 3 359.470 3.191 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccnc(C)n2)C1=O)c1ccc(C)cc1[O-] ZINC000373519335 499474686 /nfs/dbraw/zinc/47/46/86/499474686.db2.gz IWBVVPUEPDLQQP-MOPGFXCFSA-N 0 3 368.481 3.031 20 10 FGCDHN CCc1nccc([C@@H]2CCCN(Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000378436877 499516749 /nfs/dbraw/zinc/51/67/49/499516749.db2.gz DQOPYAQCGSZPKB-CQSZACIVSA-N 0 3 357.454 3.141 20 10 FGCDHN CCc1nccc([C@@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3[O-])C2)n1 ZINC000378436877 499516750 /nfs/dbraw/zinc/51/67/50/499516750.db2.gz DQOPYAQCGSZPKB-CQSZACIVSA-N 0 3 357.454 3.141 20 10 FGCDHN CCc1nccc([C@@H]2CCC[N@@H+](Cc3cc(OC)c(OC)cc3[O-])C2)n1 ZINC000378436877 499516752 /nfs/dbraw/zinc/51/67/52/499516752.db2.gz DQOPYAQCGSZPKB-CQSZACIVSA-N 0 3 357.454 3.141 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000377709040 499723480 /nfs/dbraw/zinc/72/34/80/499723480.db2.gz UDMHCXAWQMLOTQ-KUDFPVQQSA-N 0 3 355.482 3.482 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000377709040 499723481 /nfs/dbraw/zinc/72/34/81/499723481.db2.gz UDMHCXAWQMLOTQ-KUDFPVQQSA-N 0 3 355.482 3.482 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458728933 501517091 /nfs/dbraw/zinc/51/70/91/501517091.db2.gz FMAVUPVEEUACHZ-OAQYLSRUSA-N 0 3 354.498 3.114 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)c1 ZINC000527775862 503938608 /nfs/dbraw/zinc/93/86/08/503938608.db2.gz WLCSADWYGPKKRH-GOSISDBHSA-N 0 3 356.466 3.164 20 10 FGCDHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000527963474 504017546 /nfs/dbraw/zinc/01/75/46/504017546.db2.gz ADQRJNQBKVZHFI-NVXWUHKLSA-N 0 3 356.466 3.335 20 10 FGCDHN CN1CCC[C@H]2C[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@@H]21 ZINC000830941192 602203364 /nfs/dbraw/zinc/20/33/64/602203364.db2.gz UMYQREOVTYMWFF-KXBFYZLASA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CCC[C@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@@H]21 ZINC000830941192 602203368 /nfs/dbraw/zinc/20/33/68/602203368.db2.gz UMYQREOVTYMWFF-KXBFYZLASA-N 0 3 354.450 3.160 20 10 FGCDHN O=C(NCCCSc1nccs1)N1CCN(C2CCCCC2)CC1 ZINC000120980643 700663199 /nfs/dbraw/zinc/66/31/99/700663199.db2.gz OTMSQOLSNOLTKV-UHFFFAOYSA-N 0 3 368.572 3.285 20 10 FGCDHN COc1cccc(CN2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000126997058 700755870 /nfs/dbraw/zinc/75/58/70/700755870.db2.gz MVDQEZWHOBKTOV-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000182441000 705842640 /nfs/dbraw/zinc/84/26/40/705842640.db2.gz XJQHAEFYDPCXQC-LLVKDONJSA-N 0 3 359.451 3.240 20 10 FGCDHN CCN(CC)c1ccc(CN2CCOCC3(CCOCC3)C2)cc1F ZINC000183267889 705885928 /nfs/dbraw/zinc/88/59/28/705885928.db2.gz CUCAWIIVGZZNMP-UHFFFAOYSA-N 0 3 350.478 3.301 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1[O-] ZINC000374543309 713929795 /nfs/dbraw/zinc/92/97/95/713929795.db2.gz KLJWIYGEANVNSL-ZDUSSCGKSA-N 0 3 366.259 3.064 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000802655241 724398566 /nfs/dbraw/zinc/39/85/66/724398566.db2.gz WWMHCRLZTUABIH-LJQANCHMSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000802655241 724398568 /nfs/dbraw/zinc/39/85/68/724398568.db2.gz WWMHCRLZTUABIH-LJQANCHMSA-N 0 3 350.459 3.138 20 10 FGCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c([O-])c1 ZINC000749926977 722748125 /nfs/dbraw/zinc/74/81/25/722748125.db2.gz SAVCHWDOLOMHFM-QGZVFWFLSA-N 0 3 360.841 3.339 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000781909813 724611379 /nfs/dbraw/zinc/61/13/79/724611379.db2.gz QUSXGYDDSZZBLL-XJKSGUPXSA-N 0 3 353.304 3.379 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000781909813 724611380 /nfs/dbraw/zinc/61/13/80/724611380.db2.gz QUSXGYDDSZZBLL-XJKSGUPXSA-N 0 3 353.304 3.379 20 10 FGCDHN CCOc1ccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c([O-])c1 ZINC000725849888 722424719 /nfs/dbraw/zinc/42/47/19/722424719.db2.gz ZOIUBXVPQFHLDJ-ZDUSSCGKSA-N 0 3 364.467 3.013 20 10 FGCDHN C[C@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(F)(F)F ZINC000753569420 722904892 /nfs/dbraw/zinc/90/48/92/722904892.db2.gz DTAAOCRBLOAVAZ-KRWDZBQOSA-N 0 3 355.356 3.374 20 10 FGCDHN O=[N+]([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000761524137 723162377 /nfs/dbraw/zinc/16/23/77/723162377.db2.gz VTTVVHAVKZOGIW-UHFFFAOYSA-N 0 3 361.829 3.375 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000793605068 723453942 /nfs/dbraw/zinc/45/39/42/723453942.db2.gz NGFKSWPSIVTCEV-IBGZPJMESA-N 0 3 350.434 3.364 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000793605068 723453944 /nfs/dbraw/zinc/45/39/44/723453944.db2.gz NGFKSWPSIVTCEV-IBGZPJMESA-N 0 3 350.434 3.364 20 10 FGCDHN CN1C(=O)C[C@H](NCc2ccc3c(c2)CCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000768652414 723664265 /nfs/dbraw/zinc/66/42/65/723664265.db2.gz PPTGJLCZYWMEBW-PXNSSMCTSA-N 0 3 356.853 3.337 20 10 FGCDHN Oc1cc2c(cc1CN1CC=C(c3ccc(Cl)nc3)CC1)[C@H](O)CO2 ZINC000773252905 723780186 /nfs/dbraw/zinc/78/01/86/723780186.db2.gz SINIUJIRAQNEMH-QGZVFWFLSA-N 0 3 358.825 3.156 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC=C(c3ccc(Cl)nc3)CC1)[C@H](O)CO2 ZINC000773252905 723780188 /nfs/dbraw/zinc/78/01/88/723780188.db2.gz SINIUJIRAQNEMH-QGZVFWFLSA-N 0 3 358.825 3.156 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC=C(c3ccc(Cl)nc3)CC1)[C@H](O)CO2 ZINC000773252905 723780190 /nfs/dbraw/zinc/78/01/90/723780190.db2.gz SINIUJIRAQNEMH-QGZVFWFLSA-N 0 3 358.825 3.156 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1[O-] ZINC000776257573 724124377 /nfs/dbraw/zinc/12/43/77/724124377.db2.gz YKGDJMXKESCZMF-AWEZNQCLSA-N 0 3 356.260 3.238 20 10 FGCDHN [O-]c1ccccc1C[NH2+]CCOc1ccc(I)cc1 ZINC000800889312 724243665 /nfs/dbraw/zinc/24/36/65/724243665.db2.gz LVJSDKLDRKHBRQ-UHFFFAOYSA-N 0 3 369.202 3.165 20 10 FGCDHN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OCC)cc2[O-])CC1 ZINC000778197232 724309886 /nfs/dbraw/zinc/30/98/86/724309886.db2.gz COEQBEJSCWARFV-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000784643249 724869427 /nfs/dbraw/zinc/86/94/27/724869427.db2.gz JAIHHNDAKSXMAD-RYUDHWBXSA-N 0 3 358.276 3.458 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000784643250 724869440 /nfs/dbraw/zinc/86/94/40/724869440.db2.gz JAIHHNDAKSXMAD-VXGBXAGGSA-N 0 3 358.276 3.458 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c1[O-] ZINC000785986848 724953397 /nfs/dbraw/zinc/95/33/97/724953397.db2.gz ZGPOLHZQTDJAJV-MRXNPFEDSA-N 0 3 366.889 3.468 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1[O-] ZINC000808675083 725212997 /nfs/dbraw/zinc/21/29/97/725212997.db2.gz VXWHSDRTWMTYLK-MAUKXSAKSA-N 0 3 353.938 3.277 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1[O-] ZINC000808680153 725213331 /nfs/dbraw/zinc/21/33/31/725213331.db2.gz CWHLQLLUGKFJMQ-KDOFPFPSSA-N 0 3 370.946 3.213 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000808718747 725214753 /nfs/dbraw/zinc/21/47/53/725214753.db2.gz QVQUGBSMPMNXLB-FZMZJTMJSA-N 0 3 366.811 3.268 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000809742389 725264506 /nfs/dbraw/zinc/26/45/06/725264506.db2.gz VMSSRSRCOCXSCN-KRWDZBQOSA-N 0 3 355.356 3.374 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000809792593 725268985 /nfs/dbraw/zinc/26/89/85/725268985.db2.gz BGUHGTPEMQGFJR-RHSMWYFYSA-N 0 3 364.239 3.047 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1[O-] ZINC000824845955 729361829 /nfs/dbraw/zinc/36/18/29/729361829.db2.gz PNGCHRXYHZGMJX-CVEARBPZSA-N 0 3 354.288 3.350 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)c1[O-] ZINC000825041052 729368685 /nfs/dbraw/zinc/36/86/85/729368685.db2.gz ZVCCFWAEVNZYHV-ZDUSSCGKSA-N 0 3 360.292 3.392 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)c1[O-] ZINC000825041052 729368686 /nfs/dbraw/zinc/36/86/86/729368686.db2.gz ZVCCFWAEVNZYHV-ZDUSSCGKSA-N 0 3 360.292 3.392 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c2c1c(F)ccc2[O-] ZINC000834828369 729837457 /nfs/dbraw/zinc/83/74/57/729837457.db2.gz SILHSHKJPXYLRV-XUJVJEKNSA-N 0 3 361.438 3.240 20 10 FGCDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C)n1 ZINC000840725632 730166416 /nfs/dbraw/zinc/16/64/16/730166416.db2.gz BSSNYIQXFLZAJE-ZIAGYGMSSA-N 0 3 350.413 3.341 20 10 FGCDHN CCS(=O)(=O)c1c(Cl)cccc1CNCCc1ccc(N)cc1 ZINC000841035429 730205084 /nfs/dbraw/zinc/20/50/84/730205084.db2.gz NNWQQPNKTUUALL-UHFFFAOYSA-N 0 3 352.887 3.048 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)c1[O-] ZINC000848517933 731174204 /nfs/dbraw/zinc/17/42/04/731174204.db2.gz HSJTVKPCSWGYSM-GHMZBOCLSA-N 0 3 354.248 3.099 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000848535815 731177458 /nfs/dbraw/zinc/17/74/58/731177458.db2.gz HBTGCNDBBLOBSR-KRTXAFLBSA-N 0 3 372.181 3.127 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000848548170 731179411 /nfs/dbraw/zinc/17/94/11/731179411.db2.gz AWNYUIYNEJWJQM-GWCFXTLKSA-N 0 3 358.276 3.365 20 10 FGCDHN CCOCc1cc(CNCC2(S(C)(=O)=O)CCCCC2)ccc1OC ZINC000850376563 731350033 /nfs/dbraw/zinc/35/00/33/731350033.db2.gz JPOGSGOKDBSFEK-UHFFFAOYSA-N 0 3 369.527 3.069 20 10 FGCDHN CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000850484714 731361646 /nfs/dbraw/zinc/36/16/46/731361646.db2.gz OXLFGKJYFYUXIP-LALPHHSUSA-N 0 3 358.276 3.165 20 10 FGCDHN C[C@H](NCCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850519433 731368621 /nfs/dbraw/zinc/36/86/21/731368621.db2.gz LTUJHCUKZMQSBI-LRDDRELGSA-N 0 3 360.832 3.251 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1[O-] ZINC000850520669 731369065 /nfs/dbraw/zinc/36/90/65/731369065.db2.gz FPEVLXAUUCBQEA-PRHODGIISA-N 0 3 366.202 3.238 20 10 FGCDHN CCOc1ccc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000853084200 731662228 /nfs/dbraw/zinc/66/22/28/731662228.db2.gz CEFDPOUOEGEBDE-LJQANCHMSA-N 0 3 350.459 3.280 20 10 FGCDHN O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1[O-] ZINC000853093960 731664371 /nfs/dbraw/zinc/66/43/71/731664371.db2.gz VHAWSDJWJXUGPV-CYBMUJFWSA-N 0 3 353.850 3.165 20 10 FGCDHN O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[O-] ZINC000853093960 731664373 /nfs/dbraw/zinc/66/43/73/731664373.db2.gz VHAWSDJWJXUGPV-CYBMUJFWSA-N 0 3 353.850 3.165 20 10 FGCDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)c1[O-] ZINC000853093960 731664374 /nfs/dbraw/zinc/66/43/74/731664374.db2.gz VHAWSDJWJXUGPV-CYBMUJFWSA-N 0 3 353.850 3.165 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]Cc2cc(C)ccc2O)c1[O-] ZINC000858237038 732195502 /nfs/dbraw/zinc/19/55/02/732195502.db2.gz DCQARHKOJJCIMD-UHFFFAOYSA-N 0 3 352.228 3.467 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC23CCOCC3)c1[O-] ZINC000865778898 733268308 /nfs/dbraw/zinc/26/83/08/733268308.db2.gz PRJFGJPIOLRSSL-ZDUSSCGKSA-N 0 3 370.287 3.460 20 10 FGCDHN Cc1cc([O-])c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000877691694 736706535 /nfs/dbraw/zinc/70/65/35/736706535.db2.gz OTIJQPIUBUJUDH-QGZVFWFLSA-N 0 3 350.802 3.260 20 10 FGCDHN CN1CCN(c2ccc(CNCc3nc(C(C)(C)C)cs3)cc2)CC1 ZINC000883283275 737547123 /nfs/dbraw/zinc/54/71/23/737547123.db2.gz YXPKWECGPHWKTO-UHFFFAOYSA-N 0 3 358.555 3.482 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@H]1CCCOC1 ZINC000883353187 737556814 /nfs/dbraw/zinc/55/68/14/737556814.db2.gz PZDSKIQCJRVQET-FZMZJTMJSA-N 0 3 358.276 3.458 20 10 FGCDHN COc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894514637 742294197 /nfs/dbraw/zinc/29/41/97/742294197.db2.gz MVHDAUJAAXIBKR-OAHLLOKOSA-N 0 3 351.830 3.276 20 10 FGCDHN COc1ccc(CNCc2ccc(OC(F)F)c(F)c2)c(O)c1OC ZINC000894632955 742311491 /nfs/dbraw/zinc/31/14/91/742311491.db2.gz RVOSMDHLKGDFNC-UHFFFAOYSA-N 0 3 357.328 3.440 20 10 FGCDHN CCn1cnc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000902277534 743728082 /nfs/dbraw/zinc/72/80/82/743728082.db2.gz MEWPOYUAPOBSPN-CQSZACIVSA-N 0 3 350.413 3.263 20 10 FGCDHN C[NH+](C)CC[C@@H](NCc1cc(Br)ccc1[O-])c1cccnc1 ZINC000922629975 758965191 /nfs/dbraw/zinc/96/51/91/758965191.db2.gz BHEUWVGIKJMQAF-MRXNPFEDSA-N 0 3 364.287 3.332 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925791676 759541128 /nfs/dbraw/zinc/54/11/28/759541128.db2.gz NFMNYDKLFNHYOZ-CHWSQXEVSA-N 0 3 358.404 3.220 20 10 FGCDHN C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925791676 759541134 /nfs/dbraw/zinc/54/11/34/759541134.db2.gz NFMNYDKLFNHYOZ-CHWSQXEVSA-N 0 3 358.404 3.220 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC3(C2)OCCO3)c1[O-] ZINC000927002716 759874034 /nfs/dbraw/zinc/87/40/34/759874034.db2.gz YFSWUQZALUOTLW-LLVKDONJSA-N 0 3 356.260 3.267 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)c1[O-] ZINC000779023307 724381783 /nfs/dbraw/zinc/38/17/83/724381783.db2.gz FHDYNTRPQOFKKC-GXTWGEPZSA-N 0 3 358.276 3.309 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1[O-] ZINC000779023942 724381794 /nfs/dbraw/zinc/38/17/94/724381794.db2.gz IDEGOPFORSAGOV-OLZOCXBDSA-N 0 3 358.276 3.167 20 10 FGCDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779049477 724384071 /nfs/dbraw/zinc/38/40/71/724384071.db2.gz HRNPSCXFKQXGFN-BYCMXARLSA-N 0 3 358.276 3.308 20 10 FGCDHN c1cnc2nc(NCc3ccc(N4CCN(CC5CC5)CC4)cc3)ccc2n1 ZINC000091675962 494642572 /nfs/dbraw/zinc/64/25/72/494642572.db2.gz LCECUHAGSJRPNP-UHFFFAOYSA-N 0 3 374.492 3.169 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1O ZINC000093009377 494807475 /nfs/dbraw/zinc/80/74/75/494807475.db2.gz DLXHOPMAOWLCOG-UHFFFAOYSA-N 0 3 372.465 3.395 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000093134492 494832612 /nfs/dbraw/zinc/83/26/12/494832612.db2.gz NKNDLSXBVWRQBH-SFHVURJKSA-N 0 3 353.514 3.450 20 10 FGCDHN COc1cccc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1O ZINC000093815593 494924289 /nfs/dbraw/zinc/92/42/89/494924289.db2.gz VDLKGNKPIZCPEX-HNNXBMFYSA-N 0 3 366.255 3.329 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182449085 495568856 /nfs/dbraw/zinc/56/88/56/495568856.db2.gz YFYGDXMYPFXISK-UONOGXRCSA-N 0 3 350.459 3.308 20 10 FGCDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)c(OC)cc1O ZINC000160128515 495891425 /nfs/dbraw/zinc/89/14/25/495891425.db2.gz HQEDEXYMICZPAL-UHFFFAOYSA-N 0 3 372.465 3.133 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC000184286834 496321052 /nfs/dbraw/zinc/32/10/52/496321052.db2.gz OQIDNWUGTIBAMD-UHFFFAOYSA-N 0 3 372.400 3.128 20 10 FGCDHN CCCCNC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184679683 496489718 /nfs/dbraw/zinc/48/97/18/496489718.db2.gz YOGSEKVFODZZNH-UHFFFAOYSA-N 0 3 354.878 3.183 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c([O-])c1 ZINC000185083019 496651063 /nfs/dbraw/zinc/65/10/63/496651063.db2.gz MFNDCTGBPJULEK-MRXNPFEDSA-N 0 3 368.477 3.251 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000185109505 496663990 /nfs/dbraw/zinc/66/39/90/496663990.db2.gz ISPIEHYJDPWUSB-HUUCEWRRSA-N 0 3 362.495 3.363 20 10 FGCDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000273349255 496781136 /nfs/dbraw/zinc/78/11/36/496781136.db2.gz CEDLNZUBLWZKLS-QGZVFWFLSA-N 0 3 358.530 3.159 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c([O-])c1C ZINC000273363578 496784563 /nfs/dbraw/zinc/78/45/63/496784563.db2.gz DJKZPEBFCGISTP-DOTOQJQBSA-N 0 3 355.482 3.480 20 10 FGCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(O)c1C ZINC000273363578 496784569 /nfs/dbraw/zinc/78/45/69/496784569.db2.gz DJKZPEBFCGISTP-DOTOQJQBSA-N 0 3 355.482 3.480 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)cc1OC ZINC000191780044 496887772 /nfs/dbraw/zinc/88/77/72/496887772.db2.gz LCHVJLSWYVSJFP-BTYIYWSLSA-N 0 3 359.466 3.129 20 10 FGCDHN COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000278430994 497112023 /nfs/dbraw/zinc/11/20/23/497112023.db2.gz UWQVSBCALNSACF-WFXMLNOXSA-N 0 3 373.493 3.368 20 10 FGCDHN COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000278430994 497112027 /nfs/dbraw/zinc/11/20/27/497112027.db2.gz UWQVSBCALNSACF-WFXMLNOXSA-N 0 3 373.493 3.368 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000237013390 497180072 /nfs/dbraw/zinc/18/00/72/497180072.db2.gz CMSVZDDLKSDJIQ-HNNXBMFYSA-N 0 3 362.495 3.274 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1[O-] ZINC000274912357 497197812 /nfs/dbraw/zinc/19/78/12/497197812.db2.gz NNUUJAGPIBMIBX-IBGZPJMESA-N 0 3 354.450 3.106 20 10 FGCDHN COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1[O-] ZINC000266191299 497277443 /nfs/dbraw/zinc/27/74/43/497277443.db2.gz YRWKYZBESYEWGQ-MQVJKMGUSA-N 0 3 362.470 3.421 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754749 497439226 /nfs/dbraw/zinc/43/92/26/497439226.db2.gz CPBOMBPOULOZPQ-CZUORRHYSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754749 497439231 /nfs/dbraw/zinc/43/92/31/497439231.db2.gz CPBOMBPOULOZPQ-CZUORRHYSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1ccc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754749 497439235 /nfs/dbraw/zinc/43/92/35/497439235.db2.gz CPBOMBPOULOZPQ-CZUORRHYSA-N 0 3 350.459 3.136 20 10 FGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1O ZINC000267298850 497519389 /nfs/dbraw/zinc/51/93/89/497519389.db2.gz FFYCUUUYXPLCGF-VQIMIIECSA-N 0 3 353.466 3.102 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000245749818 497528261 /nfs/dbraw/zinc/52/82/61/497528261.db2.gz NNFINZFPVUGZKE-SMDDNHRTSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cccc(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000263703808 497809440 /nfs/dbraw/zinc/80/94/40/497809440.db2.gz RRUQADHTQWBSTN-UHFFFAOYSA-N 0 3 350.459 3.138 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000296060670 497906407 /nfs/dbraw/zinc/90/64/07/497906407.db2.gz ROSUGOGLJOLMTL-AUUYWEPGSA-N 0 3 366.461 3.388 20 10 FGCDHN COc1ccc([C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N2CCOCC2)cc1 ZINC000296129364 497930534 /nfs/dbraw/zinc/93/05/34/497930534.db2.gz VRKHJCQQYGUJLR-VQTJNVASSA-N 0 3 368.477 3.051 20 10 FGCDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000280964158 497967988 /nfs/dbraw/zinc/96/79/88/497967988.db2.gz KUKXOGKBBPGQEZ-INIZCTEOSA-N 0 3 350.528 3.295 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000280968348 497969842 /nfs/dbraw/zinc/96/98/42/497969842.db2.gz IGFGBFQAZXZZHZ-YBTHPKLGSA-N 0 3 360.317 3.415 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CNCC2(S(C)(=O)=O)CC2)cc1 ZINC000296999286 498282664 /nfs/dbraw/zinc/28/26/64/498282664.db2.gz WDVZUWBIHMATHR-UHFFFAOYSA-N 0 3 364.536 3.051 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c([O-])c1 ZINC000293756170 498479255 /nfs/dbraw/zinc/47/92/55/498479255.db2.gz ONVYXNVEFWSWBT-INIZCTEOSA-N 0 3 356.466 3.327 20 10 FGCDHN COc1cc([O-])c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)cc1OC ZINC000362241530 498479775 /nfs/dbraw/zinc/47/97/75/498479775.db2.gz XXDOAKHNGJTWRD-UHFFFAOYSA-N 0 3 353.422 3.100 20 10 FGCDHN Cc1cnn(C)c1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000286727376 498490294 /nfs/dbraw/zinc/49/02/94/498490294.db2.gz XPDSKHQLHJZORT-CQSZACIVSA-N 0 3 350.413 3.089 20 10 FGCDHN COc1cc(O)c(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1OC ZINC000290279694 498493764 /nfs/dbraw/zinc/49/37/64/498493764.db2.gz YXVVKMFOUGISMX-HNNXBMFYSA-N 0 3 351.830 3.276 20 10 FGCDHN C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])N1CCN(C)CC1 ZINC000293887376 498523631 /nfs/dbraw/zinc/52/36/31/498523631.db2.gz VTQDSUBLZDRMSD-SIKLNZKXSA-N 0 3 367.537 3.292 20 10 FGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000293979638 498550684 /nfs/dbraw/zinc/55/06/84/498550684.db2.gz BFVIBBONWFFMIT-IRFCIJBXSA-N 0 3 355.478 3.301 20 10 FGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363750110 498973732 /nfs/dbraw/zinc/97/37/32/498973732.db2.gz MFZWNFJGROLKLS-QFBILLFUSA-N 0 3 352.482 3.103 20 10 FGCDHN CCOc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1O ZINC000299161404 498983101 /nfs/dbraw/zinc/98/31/01/498983101.db2.gz LBZHUTISBBMBEH-UHFFFAOYSA-N 0 3 374.456 3.181 20 10 FGCDHN Cc1cc(C)c([C@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000283903514 499009543 /nfs/dbraw/zinc/00/95/43/499009543.db2.gz DBCZDYUZVBHPGV-HNNXBMFYSA-N 0 3 362.495 3.110 20 10 FGCDHN C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000366699454 499038051 /nfs/dbraw/zinc/03/80/51/499038051.db2.gz VPSXCPQCXCESSQ-UZUQRXQVSA-N 0 3 365.521 3.485 20 10 FGCDHN COc1cc(O)c(CN2CCC(c3noc(C4CC4)n3)CC2)cc1OC ZINC000363955135 499066272 /nfs/dbraw/zinc/06/62/72/499066272.db2.gz ZAPOKOWRPJFWLP-UHFFFAOYSA-N 0 3 359.426 3.049 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000364057796 499103553 /nfs/dbraw/zinc/10/35/53/499103553.db2.gz QVAJZCMDAAXUFU-IAGOWNOFSA-N 0 3 370.287 3.458 20 10 FGCDHN Cc1cccc(NC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000367467246 499202487 /nfs/dbraw/zinc/20/24/87/499202487.db2.gz LCDJUJCLUVJBTM-UHFFFAOYSA-N 0 3 366.509 3.303 20 10 FGCDHN Cc1cc([O-])c(C[N@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)cc1C ZINC000371415169 499323486 /nfs/dbraw/zinc/32/34/86/499323486.db2.gz OQCVGUWFUKTTHS-UHFFFAOYSA-N 0 3 362.905 3.104 20 10 FGCDHN Cc1cc([O-])c(C[N@@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)cc1C ZINC000371415169 499323487 /nfs/dbraw/zinc/32/34/87/499323487.db2.gz OQCVGUWFUKTTHS-UHFFFAOYSA-N 0 3 362.905 3.104 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1 ZINC000371870241 499373804 /nfs/dbraw/zinc/37/38/04/499373804.db2.gz OOJXTZMKWPHTLV-MRXNPFEDSA-N 0 3 354.450 3.163 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c([O-])c1 ZINC000369424799 499402325 /nfs/dbraw/zinc/40/23/25/499402325.db2.gz IPCISXGHTLGNSA-MRXNPFEDSA-N 0 3 371.481 3.497 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c([O-])c1 ZINC000369424799 499402327 /nfs/dbraw/zinc/40/23/27/499402327.db2.gz IPCISXGHTLGNSA-MRXNPFEDSA-N 0 3 371.481 3.497 20 10 FGCDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1[O-] ZINC000372234430 499411384 /nfs/dbraw/zinc/41/13/84/499411384.db2.gz YGCVFGVCSSCTEN-LJQANCHMSA-N 0 3 354.450 3.443 20 10 FGCDHN COc1cccc(C[NH2+]C[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1[O-] ZINC000372303117 499418382 /nfs/dbraw/zinc/41/83/82/499418382.db2.gz WDRWTSWHCFWJQM-CYBMUJFWSA-N 0 3 360.841 3.197 20 10 FGCDHN CCOc1cccc(CN2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000372398633 499428881 /nfs/dbraw/zinc/42/88/81/499428881.db2.gz RHYKGISQSYENPQ-UHFFFAOYSA-N 0 3 360.498 3.406 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000375305756 499505266 /nfs/dbraw/zinc/50/52/66/499505266.db2.gz JBRQSMQIXHWERI-HZPDHXFCSA-N 0 3 360.498 3.432 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1OC ZINC000377706094 499723204 /nfs/dbraw/zinc/72/32/04/499723204.db2.gz UMVFGTLLWWORLY-MSOLQXFVSA-N 0 3 357.450 3.007 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1OC ZINC000377706094 499723205 /nfs/dbraw/zinc/72/32/05/499723205.db2.gz UMVFGTLLWWORLY-MSOLQXFVSA-N 0 3 357.450 3.007 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000471585360 502074830 /nfs/dbraw/zinc/07/48/30/502074830.db2.gz KNASGVZEDYNODD-JKSUJKDBSA-N 0 3 356.514 3.406 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)ccc21 ZINC000467030158 502763752 /nfs/dbraw/zinc/76/37/52/502763752.db2.gz DFGFQUNFQVCQMN-JLTOFOAXSA-N 0 3 369.509 3.117 20 10 FGCDHN CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927697 604764143 /nfs/dbraw/zinc/76/41/43/604764143.db2.gz BNIQBXMZLBNFDT-DNVCBOLYSA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927697 604764145 /nfs/dbraw/zinc/76/41/45/604764145.db2.gz BNIQBXMZLBNFDT-DNVCBOLYSA-N 0 3 354.450 3.160 20 10 FGCDHN CN(C)c1ccc(C[N@H+](Cc2cc(-c3nnn[n-]3)cs2)C2CC2)cc1 ZINC000825878696 608520827 /nfs/dbraw/zinc/52/08/27/608520827.db2.gz BMLXCWTZPBAOBX-UHFFFAOYSA-N 0 3 354.483 3.159 20 10 FGCDHN CN(C)c1ccc(C[N@@H+](Cc2cc(-c3nnn[n-]3)cs2)C2CC2)cc1 ZINC000825878696 608520829 /nfs/dbraw/zinc/52/08/29/608520829.db2.gz BMLXCWTZPBAOBX-UHFFFAOYSA-N 0 3 354.483 3.159 20 10 FGCDHN CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000151631304 704930978 /nfs/dbraw/zinc/93/09/78/704930978.db2.gz PGPXDRWCTOVHEH-OAHLLOKOSA-N 0 3 364.540 3.227 20 10 FGCDHN COc1ccc(O)c(CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000179883067 705719763 /nfs/dbraw/zinc/71/97/63/705719763.db2.gz CJGULJDAEMFEMW-OAHLLOKOSA-N 0 3 350.459 3.280 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000185855920 712703585 /nfs/dbraw/zinc/70/35/85/712703585.db2.gz HKCUOAINOSWBNT-CMPLNLGQSA-N 0 3 350.340 3.266 20 10 FGCDHN C[C@H](CCn1cccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779339699 724408404 /nfs/dbraw/zinc/40/84/04/724408404.db2.gz FMOLYDYXNKBKOK-QAPCUYQASA-N 0 3 362.905 3.275 20 10 FGCDHN COc1cc(Br)cc(CN[C@H](CO)c2ccsc2)c1O ZINC000769933354 723701398 /nfs/dbraw/zinc/70/13/98/723701398.db2.gz KNGYNLLHYSVDQH-GFCCVEGCSA-N 0 3 358.257 3.048 20 10 FGCDHN CCCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1O ZINC000727830909 722447873 /nfs/dbraw/zinc/44/78/73/722447873.db2.gz VDPCPAHUTVAJAY-HNNXBMFYSA-N 0 3 358.404 3.405 20 10 FGCDHN CC(C)(C)[S@](=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084997 722512511 /nfs/dbraw/zinc/51/25/11/722512511.db2.gz GNYRTNFAGIZWSV-RUZDIDTESA-N 0 3 367.515 3.222 20 10 FGCDHN CCSCC[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749366965 722726228 /nfs/dbraw/zinc/72/62/28/722726228.db2.gz XRXACWHSUIDIQJ-MRXNPFEDSA-N 0 3 351.560 3.175 20 10 FGCDHN CCN(CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-])CCC(F)(F)F ZINC000756128657 722961121 /nfs/dbraw/zinc/96/11/21/722961121.db2.gz LGMSSXYIJKPGRN-UHFFFAOYSA-N 0 3 354.800 3.418 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000762481047 723247094 /nfs/dbraw/zinc/24/70/94/723247094.db2.gz OFZYOEKGDDMIFI-DZGCQCFKSA-N 0 3 350.459 3.136 20 10 FGCDHN CCc1nsc(N2CCCN(Cc3ccc(N(C)CC)cc3)CC2)n1 ZINC000773757406 723820696 /nfs/dbraw/zinc/82/06/96/723820696.db2.gz YZOQDTFEIIOWDI-UHFFFAOYSA-N 0 3 359.543 3.269 20 10 FGCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000775521820 723997955 /nfs/dbraw/zinc/99/79/55/723997955.db2.gz BIUMYRKDUNEUAT-JENIJYKNSA-N 0 3 352.906 3.464 20 10 FGCDHN C[C@H](NCC(=O)Nc1cccc2nsnc21)c1ccc(N(C)C)cc1 ZINC000775835707 724069447 /nfs/dbraw/zinc/06/94/47/724069447.db2.gz IGHSPPJETPSLFZ-LBPRGKRZSA-N 0 3 355.467 3.047 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000784682797 724872107 /nfs/dbraw/zinc/87/21/07/724872107.db2.gz MFZRXEMBBDRMAT-JKSUJKDBSA-N 0 3 356.260 3.211 20 10 FGCDHN COC(=O)N1CCC(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000809709452 725261040 /nfs/dbraw/zinc/26/10/40/725261040.db2.gz DZOCAUWTQUAURV-UHFFFAOYSA-N 0 3 371.275 3.031 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)CC)c([O-])c1 ZINC000809722597 725262571 /nfs/dbraw/zinc/26/25/71/725262571.db2.gz CWMPMJKLVYDNDA-MRXNPFEDSA-N 0 3 350.459 3.234 20 10 FGCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)CC)c([O-])c1 ZINC000809722597 725262574 /nfs/dbraw/zinc/26/25/74/725262574.db2.gz CWMPMJKLVYDNDA-MRXNPFEDSA-N 0 3 350.459 3.234 20 10 FGCDHN CCOc1ccc(CN2CCCC[C@@H]2COC(=O)N(C)CC)c(O)c1 ZINC000809722597 725262575 /nfs/dbraw/zinc/26/25/75/725262575.db2.gz CWMPMJKLVYDNDA-MRXNPFEDSA-N 0 3 350.459 3.234 20 10 FGCDHN COc1ccc(C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)c([O-])c1 ZINC000824321341 729330705 /nfs/dbraw/zinc/33/07/05/729330705.db2.gz QIWQYASTKNRHPI-HNNXBMFYSA-N 0 3 352.475 3.287 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1[O-] ZINC000824846115 729361763 /nfs/dbraw/zinc/36/17/63/729361763.db2.gz PWZBXNOSSVWWDS-ZBFHGGJFSA-N 0 3 370.287 3.050 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1Cl ZINC000825058982 729369257 /nfs/dbraw/zinc/36/92/57/729369257.db2.gz QEWXWTBMXCMBSY-UHFFFAOYSA-N 0 3 360.885 3.476 20 10 FGCDHN COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3c([O-])cccc3OC)C2)s1 ZINC000827941820 729437577 /nfs/dbraw/zinc/43/75/77/729437577.db2.gz ISBMLAJMOIGYHA-GFCCVEGCSA-N 0 3 362.451 3.024 20 10 FGCDHN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3OC)C2)s1 ZINC000827941820 729437578 /nfs/dbraw/zinc/43/75/78/729437578.db2.gz ISBMLAJMOIGYHA-GFCCVEGCSA-N 0 3 362.451 3.024 20 10 FGCDHN O=S(=O)(CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000840881672 730187446 /nfs/dbraw/zinc/18/74/46/730187446.db2.gz FBYFJMLOVZCLCR-IBGZPJMESA-N 0 3 359.491 3.233 20 10 FGCDHN [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000841099194 730211197 /nfs/dbraw/zinc/21/11/97/730211197.db2.gz HGTGQUYHQSGCRG-NVXWUHKLSA-N 0 3 359.297 3.417 20 10 FGCDHN Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cccc(O)c3[O-])C2)s1 ZINC000846102150 730929059 /nfs/dbraw/zinc/92/90/59/730929059.db2.gz QEMUHNXYJNGTSN-AWEZNQCLSA-N 0 3 360.479 3.062 20 10 FGCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc(O)c3[O-])C2)s1 ZINC000846102150 730929060 /nfs/dbraw/zinc/92/90/60/730929060.db2.gz QEMUHNXYJNGTSN-AWEZNQCLSA-N 0 3 360.479 3.062 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1[O-] ZINC000846210676 730936840 /nfs/dbraw/zinc/93/68/40/730936840.db2.gz BHZBYDYVOFZZTB-BLLLJJGKSA-N 0 3 358.276 3.045 20 10 FGCDHN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848527036 731175575 /nfs/dbraw/zinc/17/55/75/731175575.db2.gz PNQBEHWKJREFFZ-GHMZBOCLSA-N 0 3 373.291 3.119 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1[O-] ZINC000848527526 731175690 /nfs/dbraw/zinc/17/56/90/731175690.db2.gz CCGUYMCOXZWEBG-FZMZJTMJSA-N 0 3 369.303 3.298 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)c1[O-] ZINC000848530311 731176242 /nfs/dbraw/zinc/17/62/42/731176242.db2.gz CYGQMNPHYIHAPU-DGCLKSJQSA-N 0 3 374.275 3.010 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000848533159 731176664 /nfs/dbraw/zinc/17/66/64/731176664.db2.gz OKKYYOAZYBEKNI-JOYOIKCWSA-N 0 3 366.259 3.095 20 10 FGCDHN Cn1c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cnc1Cl ZINC000848536760 731177451 /nfs/dbraw/zinc/17/74/51/731177451.db2.gz VBXKUEKTTOLNRI-AWEZNQCLSA-N 0 3 369.296 3.187 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(OC)CCOCC2)c1[O-] ZINC000848535900 731177658 /nfs/dbraw/zinc/17/76/58/731177658.db2.gz LPOQPIFMEIGSSQ-NSHDSACASA-N 0 3 374.275 3.010 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000850563297 731373549 /nfs/dbraw/zinc/37/35/49/731373549.db2.gz VRQXTWXTOVQDAW-UKRRQHHQSA-N 0 3 351.878 3.295 20 10 FGCDHN CN(C)c1cc(F)c(CNCCCNC(=O)c2cccs2)cc1F ZINC000858135876 732184325 /nfs/dbraw/zinc/18/43/25/732184325.db2.gz FQAXXMLUENXELH-UHFFFAOYSA-N 0 3 353.438 3.002 20 10 FGCDHN Cc1cc(N(C)C)ccc1CNCc1cnn2cc(Br)cnc12 ZINC000877031480 736177450 /nfs/dbraw/zinc/17/74/50/736177450.db2.gz RMUDGUNQOHXKMS-UHFFFAOYSA-N 0 3 374.286 3.156 20 10 FGCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2c(C)cccc2O)c1 ZINC000877587975 736689027 /nfs/dbraw/zinc/68/90/27/736689027.db2.gz SMDQRIMOYMFEOI-UHFFFAOYSA-N 0 3 353.871 3.437 20 10 FGCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886749666 739290701 /nfs/dbraw/zinc/29/07/01/739290701.db2.gz ZPNFQTYGWLTAQA-ZDUSSCGKSA-N 0 3 358.511 3.004 20 10 FGCDHN COc1cccc(CNCc2ccc(C(F)(F)F)nc2N(C)C)c1O ZINC000894458821 742285883 /nfs/dbraw/zinc/28/58/83/742285883.db2.gz XJEDTPQFSDNZGN-UHFFFAOYSA-N 0 3 355.360 3.170 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897616657 742695998 /nfs/dbraw/zinc/69/59/98/742695998.db2.gz VTBRIZWFDYZHAQ-LLVKDONJSA-N 0 3 353.344 3.199 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897616657 742696002 /nfs/dbraw/zinc/69/60/02/742696002.db2.gz VTBRIZWFDYZHAQ-LLVKDONJSA-N 0 3 353.344 3.199 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1[O-] ZINC000922732418 758993454 /nfs/dbraw/zinc/99/34/54/758993454.db2.gz PQVQYMPRWVWVPN-OIBJUYFYSA-N 0 3 354.166 3.451 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cc(C)n(C)n2)c1[O-] ZINC000926912046 759846915 /nfs/dbraw/zinc/84/69/15/759846915.db2.gz VIRJUWVDLBFYKU-LLVKDONJSA-N 0 3 368.275 3.099 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC2CCOCC2)c1[O-] ZINC000927080821 759887344 /nfs/dbraw/zinc/88/73/44/759887344.db2.gz WYAACLKPKHPHKR-GFCCVEGCSA-N 0 3 358.276 3.309 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c1[O-] ZINC000779023945 724381808 /nfs/dbraw/zinc/38/18/08/724381808.db2.gz IDEGOPFORSAGOV-STQMWFEESA-N 0 3 358.276 3.167 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1[O-] ZINC000779023509 724382162 /nfs/dbraw/zinc/38/21/62/724382162.db2.gz GJAPOIPIAJZUBV-LLVKDONJSA-N 0 3 355.276 3.159 20 10 FGCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000121304196 494691322 /nfs/dbraw/zinc/69/13/22/494691322.db2.gz XBXUNWMXELSNGS-UHFFFAOYSA-N 0 3 366.509 3.150 20 10 FGCDHN O[C@@H](C[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958273 494735403 /nfs/dbraw/zinc/73/54/03/494735403.db2.gz UPJGRWATDWYCHT-UXHICEINSA-N 0 3 356.466 3.204 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3ccoc3C)CC2)c1 ZINC000093010565 494807825 /nfs/dbraw/zinc/80/78/25/494807825.db2.gz OXVCMSXNHLQIAK-UHFFFAOYSA-N 0 3 358.438 3.087 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c([O-])c1 ZINC000093272671 494854121 /nfs/dbraw/zinc/85/41/21/494854121.db2.gz PIHIWZHGYIAPRD-UHFFFAOYSA-N 0 3 356.470 3.072 20 10 FGCDHN c1cc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc(C2CC2)n1 ZINC000121846475 494873551 /nfs/dbraw/zinc/87/35/51/494873551.db2.gz CIVFOGUZCFUGQJ-UHFFFAOYSA-N 0 3 363.509 3.498 20 10 FGCDHN CCOc1cccc(CN2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000093740594 494916597 /nfs/dbraw/zinc/91/65/97/494916597.db2.gz VLTXMVKQZQAKGY-UHFFFAOYSA-N 0 3 368.433 3.306 20 10 FGCDHN c1cc(N2CCOCC2)ccc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000093842187 494927426 /nfs/dbraw/zinc/92/74/26/494927426.db2.gz HKAVVCZAWMMMSC-JOCHJYFZSA-N 0 3 374.525 3.073 20 10 FGCDHN OC1CCN(c2ccc(CNCC3=Cc4ccccc4OC3)cc2F)CC1 ZINC000102424247 495136560 /nfs/dbraw/zinc/13/65/60/495136560.db2.gz HGLMWVJGPDQIQV-UHFFFAOYSA-N 0 3 368.452 3.352 20 10 FGCDHN CC(=O)N1CC[C@H](NCc2ccc(N(C)C)cc2)c2ccc(F)cc2C1 ZINC000185365976 495550630 /nfs/dbraw/zinc/55/06/30/495550630.db2.gz KSDOFYHMAKHJBM-NRFANRHFSA-N 0 3 355.457 3.475 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000179657145 495680227 /nfs/dbraw/zinc/68/02/27/495680227.db2.gz QZNYBZHUEWWNTR-HNNXBMFYSA-N 0 3 356.470 3.098 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000179657145 495680228 /nfs/dbraw/zinc/68/02/28/495680228.db2.gz QZNYBZHUEWWNTR-HNNXBMFYSA-N 0 3 356.470 3.098 20 10 FGCDHN C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160118554 495888060 /nfs/dbraw/zinc/88/80/60/495888060.db2.gz CVRHOWXHXHHXOH-AUUYWEPGSA-N 0 3 364.486 3.282 20 10 FGCDHN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183446416 495986595 /nfs/dbraw/zinc/98/65/95/495986595.db2.gz BPZOYELZNGLIAK-OAHLLOKOSA-N 0 3 362.495 3.272 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000185057972 496640931 /nfs/dbraw/zinc/64/09/31/496640931.db2.gz CVSDAUCFSSTXFI-OAHLLOKOSA-N 0 3 352.438 3.449 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000158449887 496704805 /nfs/dbraw/zinc/70/48/05/496704805.db2.gz GZPNQYAJPDVNLC-SFHVURJKSA-N 0 3 367.541 3.140 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000277519420 496800359 /nfs/dbraw/zinc/80/03/59/496800359.db2.gz PDHOUPNHBZWBAB-CJNGLKHVSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)cc1OC ZINC000191780071 496887656 /nfs/dbraw/zinc/88/76/56/496887656.db2.gz LCHVJLSWYVSJFP-YCRPNKLZSA-N 0 3 359.466 3.129 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1C ZINC000274022595 496994944 /nfs/dbraw/zinc/99/49/44/496994944.db2.gz FJYZXCADZCEGRG-INIZCTEOSA-N 0 3 374.506 3.400 20 10 FGCDHN COc1cc(O)c(CN2CCC(Oc3ccncc3C)CC2)cc1OC ZINC000278078265 496996127 /nfs/dbraw/zinc/99/61/27/496996127.db2.gz NORHGMADEKDDJK-UHFFFAOYSA-N 0 3 358.438 3.156 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000248480900 497023611 /nfs/dbraw/zinc/02/36/11/497023611.db2.gz AUVPTIZINMCYNY-GQIGUUNPSA-N 0 3 355.482 3.357 20 10 FGCDHN O=C(CN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1)Nc1ccccc1 ZINC000295872134 497838169 /nfs/dbraw/zinc/83/81/69/497838169.db2.gz HDIRUXMEGDRUPV-LJQANCHMSA-N 0 3 365.477 3.072 20 10 FGCDHN CS(=O)(=O)C1(CNCc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000285609206 498145620 /nfs/dbraw/zinc/14/56/20/498145620.db2.gz XFLSWZWQVHTVNQ-UHFFFAOYSA-N 0 3 350.528 3.124 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c1 ZINC000365045161 498271029 /nfs/dbraw/zinc/27/10/29/498271029.db2.gz UEQOAXVPEYXMAY-FQEVSTJZSA-N 0 3 360.498 3.404 20 10 FGCDHN COC1CCN(c2ccc(CN(C)[C@H](CO)c3ccccc3)cc2)CC1 ZINC000297138446 498330114 /nfs/dbraw/zinc/33/01/14/498330114.db2.gz NKRBXRQCAYISHN-JOCHJYFZSA-N 0 3 354.494 3.467 20 10 FGCDHN CCc1ncnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1F ZINC000301932910 498334143 /nfs/dbraw/zinc/33/41/43/498334143.db2.gz POTCULIZVIJAFL-UHFFFAOYSA-N 0 3 369.488 3.322 20 10 FGCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293779606 498487152 /nfs/dbraw/zinc/48/71/52/498487152.db2.gz QBKWYCZZYGFGTB-KNQAVFIVSA-N 0 3 367.537 3.292 20 10 FGCDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287061916 498612510 /nfs/dbraw/zinc/61/25/10/498612510.db2.gz NOLJRQNWJAOPHQ-HOTGVXAUSA-N 0 3 368.518 3.291 20 10 FGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H](O)C1CCOCC1 ZINC000294847698 498825114 /nfs/dbraw/zinc/82/51/14/498825114.db2.gz SFKXNABNBZSUBK-UNMCSNQZSA-N 0 3 355.478 3.443 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCc2nccnc2C)c1[O-] ZINC000294965766 498865485 /nfs/dbraw/zinc/86/54/85/498865485.db2.gz JNRHWKLFSLOUHV-LLVKDONJSA-N 0 3 350.260 3.455 20 10 FGCDHN CCC[C@@](C)(N)C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366319927 498873465 /nfs/dbraw/zinc/87/34/65/498873465.db2.gz CTYNGYARXPIJEZ-CXAGYDPISA-N 0 3 373.419 3.045 20 10 FGCDHN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000366694950 499036847 /nfs/dbraw/zinc/03/68/47/499036847.db2.gz LITWFLTZQIFXRF-HTAPYJJXSA-N 0 3 351.494 3.361 20 10 FGCDHN COc1cc(Cl)cc(CN2CCCC[C@H]2Cn2nc(C)nc2C)c1O ZINC000363911560 499050204 /nfs/dbraw/zinc/05/02/04/499050204.db2.gz UQHDBDNGMXLQNM-INIZCTEOSA-N 0 3 364.877 3.317 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589108 499149995 /nfs/dbraw/zinc/14/99/95/499149995.db2.gz CGPAUWVGGLODPG-HUUCEWRRSA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589108 499149998 /nfs/dbraw/zinc/14/99/98/499149998.db2.gz CGPAUWVGGLODPG-HUUCEWRRSA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589108 499150001 /nfs/dbraw/zinc/15/00/01/499150001.db2.gz CGPAUWVGGLODPG-HUUCEWRRSA-N 0 3 374.485 3.175 20 10 FGCDHN CN(C)c1ccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1F ZINC000367349289 499186134 /nfs/dbraw/zinc/18/61/34/499186134.db2.gz NQYDXXTUWJBJLM-INIZCTEOSA-N 0 3 359.445 3.127 20 10 FGCDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(=O)[nH]n1 ZINC000367750401 499230786 /nfs/dbraw/zinc/23/07/86/499230786.db2.gz AOGKEVPYNSVZPF-GFCCVEGCSA-N 0 3 364.396 3.103 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000375305757 499505368 /nfs/dbraw/zinc/50/53/68/499505368.db2.gz JBRQSMQIXHWERI-JKSUJKDBSA-N 0 3 360.498 3.432 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(C)ccc3[O-])CC2)c1C ZINC000377719340 499725015 /nfs/dbraw/zinc/72/50/15/499725015.db2.gz QIKIXSNYZUEMKZ-UHFFFAOYSA-N 0 3 357.454 3.219 20 10 FGCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1C ZINC000377832926 499740455 /nfs/dbraw/zinc/74/04/55/499740455.db2.gz VWMNPLLMUKYAKX-KRWDZBQOSA-N 0 3 356.470 3.024 20 10 FGCDHN COc1cccc([C@@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2(C)C)c1 ZINC000530101544 503837079 /nfs/dbraw/zinc/83/70/79/503837079.db2.gz IQGHGJXXWOAIPH-ICSRJNTNSA-N 0 3 369.461 3.452 20 10 FGCDHN COc1cccc([C@@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2(C)C)c1 ZINC000530101544 503837085 /nfs/dbraw/zinc/83/70/85/503837085.db2.gz IQGHGJXXWOAIPH-ICSRJNTNSA-N 0 3 369.461 3.452 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](N(C)C)C3)ccc21 ZINC000520716985 504563522 /nfs/dbraw/zinc/56/35/22/504563522.db2.gz NANWTPAYBYISGT-SFHVURJKSA-N 0 3 357.498 3.071 20 10 FGCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714581 600986614 /nfs/dbraw/zinc/98/66/14/600986614.db2.gz VDVSOEXXTJWCOP-INIZCTEOSA-N 0 3 368.477 3.407 20 10 FGCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714581 600986616 /nfs/dbraw/zinc/98/66/16/600986616.db2.gz VDVSOEXXTJWCOP-INIZCTEOSA-N 0 3 368.477 3.407 20 10 FGCDHN CCS[C@H]1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067485 700222983 /nfs/dbraw/zinc/22/29/83/700222983.db2.gz MPQPSPHRNNPWPD-OALUTQOASA-N 0 3 363.571 3.317 20 10 FGCDHN COCC1(C)CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000779606660 724419233 /nfs/dbraw/zinc/41/92/33/724419233.db2.gz WDXKYEUGQGEWGQ-UHFFFAOYSA-N 0 3 358.276 3.412 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)c2ccncc2)c1[O-] ZINC000749295967 722723597 /nfs/dbraw/zinc/72/35/97/722723597.db2.gz LTJHTTOTHQPISR-NSHDSACASA-N 0 3 351.244 3.452 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000756384077 722963721 /nfs/dbraw/zinc/96/37/21/722963721.db2.gz NEBMIZSXSZMBOI-XHDPSFHLSA-N 0 3 364.442 3.241 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756469519 722965200 /nfs/dbraw/zinc/96/52/00/722965200.db2.gz JDEDQOITWLUQKG-XHDPSFHLSA-N 0 3 364.442 3.241 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000763453401 723343957 /nfs/dbraw/zinc/34/39/57/723343957.db2.gz RXTAZQSORFACIU-APWZRJJASA-N 0 3 365.832 3.449 20 10 FGCDHN CN(C)c1ccc(CNCC[S@@](=O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000792992049 723390787 /nfs/dbraw/zinc/39/07/87/723390787.db2.gz GBOBRACHPLWUKW-HSZRJFAPSA-N 0 3 350.450 3.408 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000793565762 723449349 /nfs/dbraw/zinc/44/93/49/723449349.db2.gz DBTJOGSFWDLYFK-NJZAAPMLSA-N 0 3 374.319 3.272 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000793609570 723454481 /nfs/dbraw/zinc/45/44/81/723454481.db2.gz OWGSAHTUONABGZ-KGLIPLIRSA-N 0 3 356.260 3.307 20 10 FGCDHN COc1cc(Cl)cc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621487 723456204 /nfs/dbraw/zinc/45/62/04/723456204.db2.gz XCQKPWMQCSYASG-SFHVURJKSA-N 0 3 360.885 3.413 20 10 FGCDHN CS[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@H]1N(C)C ZINC000765268539 723499941 /nfs/dbraw/zinc/49/99/41/723499941.db2.gz JUSZYRBWUIYMLQ-HZPDHXFCSA-N 0 3 363.552 3.273 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCOCC1 ZINC000765994724 723550628 /nfs/dbraw/zinc/55/06/28/723550628.db2.gz RFEFINIBBFBEDE-KSSFIOAISA-N 0 3 352.906 3.415 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335833 723682807 /nfs/dbraw/zinc/68/28/07/723682807.db2.gz YIUZYSCNPQKZLY-CQSZACIVSA-N 0 3 350.459 3.090 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335833 723682808 /nfs/dbraw/zinc/68/28/08/723682808.db2.gz YIUZYSCNPQKZLY-CQSZACIVSA-N 0 3 350.459 3.090 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000771890970 723744530 /nfs/dbraw/zinc/74/45/30/723744530.db2.gz VNLCKOPSGXAYBB-KGLIPLIRSA-N 0 3 358.276 3.457 20 10 FGCDHN COc1cccc(CNCc2cc(Cl)ccc2N2CCOCC2)c1O ZINC000798498518 723938124 /nfs/dbraw/zinc/93/81/24/723938124.db2.gz CMTXIRKGKSAYAZ-UHFFFAOYSA-N 0 3 362.857 3.181 20 10 FGCDHN COc1cc(CN2CCC(Oc3cncc(Cl)n3)CC2)c(O)cc1C ZINC000777552124 724237991 /nfs/dbraw/zinc/23/79/91/724237991.db2.gz NVZISPGUBLFYRS-UHFFFAOYSA-N 0 3 363.845 3.196 20 10 FGCDHN CN(C)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000802379828 724380104 /nfs/dbraw/zinc/38/01/04/724380104.db2.gz VETDIPLDNYHMKZ-IGKXFLDPSA-N 0 3 360.841 3.184 20 10 FGCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cc(Cl)cs3)cc2)C1 ZINC000785431065 724911949 /nfs/dbraw/zinc/91/19/49/724911949.db2.gz DNOJISMZJOCAIQ-AWEZNQCLSA-N 0 3 363.914 3.393 20 10 FGCDHN COC(=O)[C@H]1[C@@H](CN(C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769358 725038011 /nfs/dbraw/zinc/03/80/11/725038011.db2.gz DUTUVNNFWPBBGH-IAGOWNOFSA-N 0 3 352.425 3.163 20 10 FGCDHN CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000808455284 725202109 /nfs/dbraw/zinc/20/21/09/725202109.db2.gz ZPMQBQAGSBDOFR-LBPRGKRZSA-N 0 3 359.308 3.373 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c1[O-] ZINC000808675563 725212925 /nfs/dbraw/zinc/21/29/25/725212925.db2.gz LLKKZGCMFMWUTP-AWEZNQCLSA-N 0 3 361.873 3.436 20 10 FGCDHN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808679407 725213262 /nfs/dbraw/zinc/21/32/62/725213262.db2.gz NPFWEOUNMSTZGS-GFCCVEGCSA-N 0 3 368.886 3.113 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217029 725297591 /nfs/dbraw/zinc/29/75/91/725297591.db2.gz VDZHJAMPVQCKSZ-LZWOXQAQSA-N 0 3 358.404 3.315 20 10 FGCDHN Cc1ccc(O)c(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000813792765 726914831 /nfs/dbraw/zinc/91/48/31/726914831.db2.gz WQQQXZUMQYEFCS-HNNXBMFYSA-N 0 3 354.219 3.425 20 10 FGCDHN CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815558941 727084061 /nfs/dbraw/zinc/08/40/61/727084061.db2.gz SDSDTHJNVIKDST-AWEZNQCLSA-N 0 3 359.436 3.089 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CNCC(C)(C)S(C)(=O)=O)cc1 ZINC000823961289 729314007 /nfs/dbraw/zinc/31/40/07/729314007.db2.gz PZOMDJLFRWOTST-UHFFFAOYSA-N 0 3 366.552 3.297 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](OC)C(C)(C)C2)c1O ZINC000824821302 729360113 /nfs/dbraw/zinc/36/01/13/729360113.db2.gz XWKJJNDZXMBEMF-AWEZNQCLSA-N 0 3 358.276 3.410 20 10 FGCDHN COc1cc(Cl)cc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000824926770 729365362 /nfs/dbraw/zinc/36/53/62/729365362.db2.gz SRQGYEVFNWZPFX-INIZCTEOSA-N 0 3 362.857 3.363 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)c1[O-] ZINC000825041051 729368653 /nfs/dbraw/zinc/36/86/53/729368653.db2.gz ZVCCFWAEVNZYHV-CYBMUJFWSA-N 0 3 360.292 3.392 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c1[O-] ZINC000825041051 729368654 /nfs/dbraw/zinc/36/86/54/729368654.db2.gz ZVCCFWAEVNZYHV-CYBMUJFWSA-N 0 3 360.292 3.392 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+](CCO)C2CCSCC2)c1[O-] ZINC000825133507 729372325 /nfs/dbraw/zinc/37/23/25/729372325.db2.gz HZVKSQUPLFWGKY-UHFFFAOYSA-N 0 3 360.317 3.153 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+](CCO)C2CCSCC2)c1[O-] ZINC000825133507 729372326 /nfs/dbraw/zinc/37/23/26/729372326.db2.gz HZVKSQUPLFWGKY-UHFFFAOYSA-N 0 3 360.317 3.153 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1[O-] ZINC000827679142 729433230 /nfs/dbraw/zinc/43/32/30/729433230.db2.gz ICCUHJDDFLIYFL-CYBMUJFWSA-N 0 3 369.303 3.200 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1[O-] ZINC000827679142 729433231 /nfs/dbraw/zinc/43/32/31/729433231.db2.gz ICCUHJDDFLIYFL-CYBMUJFWSA-N 0 3 369.303 3.200 20 10 FGCDHN COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000827951075 729437678 /nfs/dbraw/zinc/43/76/78/729437678.db2.gz VQKMQCDAYUIRDZ-OAHLLOKOSA-N 0 3 366.255 3.295 20 10 FGCDHN CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([O-])cs1 ZINC000831221433 729626362 /nfs/dbraw/zinc/62/63/62/729626362.db2.gz YVALLZLSFPJWBV-HNNXBMFYSA-N 0 3 360.479 3.286 20 10 FGCDHN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([O-])cs1 ZINC000831221433 729626363 /nfs/dbraw/zinc/62/63/63/729626363.db2.gz YVALLZLSFPJWBV-HNNXBMFYSA-N 0 3 360.479 3.286 20 10 FGCDHN Cc1cc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000834584984 729816054 /nfs/dbraw/zinc/81/60/54/729816054.db2.gz BKGQQRSUCUAFMN-HNNXBMFYSA-N 0 3 364.536 3.142 20 10 FGCDHN Cc1cc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000834584985 729816160 /nfs/dbraw/zinc/81/61/60/729816160.db2.gz BKGQQRSUCUAFMN-OAHLLOKOSA-N 0 3 364.536 3.142 20 10 FGCDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834880679 729841875 /nfs/dbraw/zinc/84/18/75/729841875.db2.gz NQURWOPEMMMJOP-LALPHHSUSA-N 0 3 358.276 3.165 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841763744 730271850 /nfs/dbraw/zinc/27/18/50/730271850.db2.gz AJIJKRWYZCVTOM-PWSUYJOCSA-N 0 3 363.246 3.453 20 10 FGCDHN C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1cc(F)ccc1[O-] ZINC000842899144 730555050 /nfs/dbraw/zinc/55/50/50/730555050.db2.gz BBLHXKKNTHSETG-ZDUSSCGKSA-N 0 3 353.434 3.320 20 10 FGCDHN CCN1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848520172 731174846 /nfs/dbraw/zinc/17/48/46/731174846.db2.gz PNJVSSCYLKABNA-NSHDSACASA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000848527936 731175643 /nfs/dbraw/zinc/17/56/43/731175643.db2.gz AHZMIOYXWLPRLN-MDZLAQPJSA-N 0 3 357.292 3.297 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1[O-] ZINC000848527528 731175716 /nfs/dbraw/zinc/17/57/16/731175716.db2.gz CCGUYMCOXZWEBG-SMDDNHRTSA-N 0 3 369.303 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1[O-] ZINC000848532505 731176424 /nfs/dbraw/zinc/17/64/24/731176424.db2.gz ISFAISSOKCFDIL-GVXVVHGQSA-N 0 3 369.303 3.439 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000848535236 731177027 /nfs/dbraw/zinc/17/70/27/731177027.db2.gz FGMULXNBQQJJAV-CABZTGNLSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1[O-] ZINC000848535797 731177489 /nfs/dbraw/zinc/17/74/89/731177489.db2.gz GWWWOMVRSABORY-VXNVDRBHSA-N 0 3 372.181 3.127 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)c1[O-] ZINC000848550482 731179849 /nfs/dbraw/zinc/17/98/49/731179849.db2.gz NZDZZGMHIRFLRM-SDDRHHMPSA-N 0 3 358.276 3.487 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)c1[O-] ZINC000848550481 731179888 /nfs/dbraw/zinc/17/98/88/731179888.db2.gz NZDZZGMHIRFLRM-GRYCIOLGSA-N 0 3 358.276 3.487 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000848551297 731180220 /nfs/dbraw/zinc/18/02/20/731180220.db2.gz IUECHGLYMCDDGN-QMTHXVAHSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1ccc(N2CC[C@H](NCc3ccc(Br)o3)C2)cc1 ZINC000850346931 731345422 /nfs/dbraw/zinc/34/54/22/731345422.db2.gz ZQOHRAKQGMQHQK-LBPRGKRZSA-N 0 3 351.244 3.419 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1[O-] ZINC000850520670 731369082 /nfs/dbraw/zinc/36/90/82/731369082.db2.gz FPEVLXAUUCBQEA-QPUJVOFHSA-N 0 3 366.202 3.238 20 10 FGCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1COCCO1 ZINC000853558285 731722618 /nfs/dbraw/zinc/72/26/18/731722618.db2.gz GNBHNLCVTCEOOT-CQSZACIVSA-N 0 3 366.255 3.155 20 10 FGCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1COCCO1 ZINC000853558285 731722622 /nfs/dbraw/zinc/72/26/22/731722622.db2.gz GNBHNLCVTCEOOT-CQSZACIVSA-N 0 3 366.255 3.155 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858244698 732196271 /nfs/dbraw/zinc/19/62/71/732196271.db2.gz FCCHAHYOORVEQN-INIZCTEOSA-N 0 3 362.857 3.049 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c1[O-] ZINC000865675127 733250293 /nfs/dbraw/zinc/25/02/93/733250293.db2.gz UBJWZOKBNOJPFY-NSHDSACASA-N 0 3 374.275 3.042 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC23CCSCC3)N(C)C)cc1 ZINC000891247845 739885973 /nfs/dbraw/zinc/88/59/73/739885973.db2.gz KTPZVZCUMPCHGD-QZTJIDSGSA-N 0 3 361.555 3.005 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)N(C)C)cc1 ZINC000891249567 739886624 /nfs/dbraw/zinc/88/66/24/739886624.db2.gz RNFZDSQCUPYBFH-NVXWUHKLSA-N 0 3 353.457 3.297 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC[C@@H](Cc3nc(C)no3)C2)c1O ZINC000897576837 742691372 /nfs/dbraw/zinc/69/13/72/742691372.db2.gz KPHQTNNCEUBACQ-LBPRGKRZSA-N 0 3 351.834 3.200 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1[O-] ZINC000898720597 742825327 /nfs/dbraw/zinc/82/53/27/742825327.db2.gz MDPNVZNBOPQKEJ-AAEUAGOBSA-N 0 3 350.260 3.407 20 10 FGCDHN O=c1[nH]c2cccc(CNCc3ccc(N4CCSCC4)cc3)c2o1 ZINC000921551817 758742609 /nfs/dbraw/zinc/74/26/09/758742609.db2.gz QLTGTHCCNWZKFN-UHFFFAOYSA-N 0 3 355.463 3.376 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c1[O-] ZINC000927156034 759909324 /nfs/dbraw/zinc/90/93/24/759909324.db2.gz LYERLLDCUIJBSX-GLQYFDAESA-N 0 3 370.287 3.044 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCNc2cnccn2)c1[O-] ZINC000779028089 724382673 /nfs/dbraw/zinc/38/26/73/724382673.db2.gz WKMCHGGNHDORNU-NSHDSACASA-N 0 3 351.248 3.016 20 10 FGCDHN CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779051466 724384589 /nfs/dbraw/zinc/38/45/89/724384589.db2.gz HVGPLUGFXAWDDR-YPMHNXCESA-N 0 3 371.275 3.345 20 10 FGCDHN Oc1cc2c(cc1CNC1(c3ccc(F)cc3F)CCOCC1)OCO2 ZINC000089803217 494367345 /nfs/dbraw/zinc/36/73/45/494367345.db2.gz OTSXPXMYKJDWKO-UHFFFAOYSA-N 0 3 363.360 3.195 20 10 FGCDHN CCN1CCN([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)CC1 ZINC000093132882 494830977 /nfs/dbraw/zinc/83/09/77/494830977.db2.gz UFCNTTXDWDDUKK-JOCHJYFZSA-N 0 3 365.521 3.271 20 10 FGCDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)CC1 ZINC000093132882 494830980 /nfs/dbraw/zinc/83/09/80/494830980.db2.gz UFCNTTXDWDDUKK-JOCHJYFZSA-N 0 3 365.521 3.271 20 10 FGCDHN COc1ccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000125390604 495436986 /nfs/dbraw/zinc/43/69/86/495436986.db2.gz HDRIRTSGNVOXHA-YCRPNKLZSA-N 0 3 374.456 3.055 20 10 FGCDHN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000179986124 495810673 /nfs/dbraw/zinc/81/06/73/495810673.db2.gz QMMQVUJVCZGCBI-FXAWDEMLSA-N 0 3 360.498 3.250 20 10 FGCDHN CCCCNC(=O)c1ccc(CNCc2cc(OC)c(OC)cc2O)cc1 ZINC000183043311 495811347 /nfs/dbraw/zinc/81/13/47/495811347.db2.gz BWLPKWNKPVPUIA-UHFFFAOYSA-N 0 3 372.465 3.229 20 10 FGCDHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186021792 495825064 /nfs/dbraw/zinc/82/50/64/495825064.db2.gz SSJJSURTVQHIFF-XHDPSFHLSA-N 0 3 356.388 3.085 20 10 FGCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000183450675 495989412 /nfs/dbraw/zinc/98/94/12/495989412.db2.gz NDCOCJWRRHODDE-CYBMUJFWSA-N 0 3 368.433 3.267 20 10 FGCDHN Cc1nn(C)c(C)c1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622432 496035676 /nfs/dbraw/zinc/03/56/76/496035676.db2.gz RNELZWMSMINJIH-OAHLLOKOSA-N 0 3 364.440 3.397 20 10 FGCDHN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161095650 496102441 /nfs/dbraw/zinc/10/24/41/496102441.db2.gz ZPELOYRNMNEPSJ-OXJNMPFZSA-N 0 3 358.457 3.437 20 10 FGCDHN COCCN1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000187066442 496276915 /nfs/dbraw/zinc/27/69/15/496276915.db2.gz ASRAUQPFLQWSQP-ZDUSSCGKSA-N 0 3 371.319 3.225 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000153293218 496410293 /nfs/dbraw/zinc/41/02/93/496410293.db2.gz ARBVXMMGNRCKMW-UHFFFAOYSA-N 0 3 368.477 3.494 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000187371073 496415153 /nfs/dbraw/zinc/41/51/53/496415153.db2.gz ROAROXWGGVPZFE-ZWNOBZJWSA-N 0 3 350.260 3.394 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1[O-] ZINC000184708693 496501993 /nfs/dbraw/zinc/50/19/93/496501993.db2.gz LYMCOARLVVDEPT-UHFFFAOYSA-N 0 3 374.868 3.466 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000184710716 496503277 /nfs/dbraw/zinc/50/32/77/496503277.db2.gz RGVPZBPWRDLJES-HNNXBMFYSA-N 0 3 374.868 3.193 20 10 FGCDHN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000163783169 496556954 /nfs/dbraw/zinc/55/69/54/496556954.db2.gz WDKVVIYVVRZTLW-MRXNPFEDSA-N 0 3 355.482 3.070 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000184853014 496559030 /nfs/dbraw/zinc/55/90/30/496559030.db2.gz NLURDOHGZWLBBV-RHSMWYFYSA-N 0 3 362.495 3.186 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000184909491 496582004 /nfs/dbraw/zinc/58/20/04/496582004.db2.gz RVLNVTHGZTXLFG-QAPCUYQASA-N 0 3 360.454 3.026 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273359598 496782893 /nfs/dbraw/zinc/78/28/93/496782893.db2.gz AFKQCBVPSTUZLB-YWZLYKJASA-N 0 3 365.477 3.498 20 10 FGCDHN Cc1ccc(O)c([C@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000273429322 496804396 /nfs/dbraw/zinc/80/43/96/496804396.db2.gz VFTKDJQEOMZMNF-INIZCTEOSA-N 0 3 354.450 3.024 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccnc(OC3CCOCC3)c2)c1 ZINC000273566771 496843054 /nfs/dbraw/zinc/84/30/54/496843054.db2.gz JRPBYQWXKUWHPP-CQSZACIVSA-N 0 3 358.438 3.204 20 10 FGCDHN Cc1cccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1O ZINC000191684876 496854293 /nfs/dbraw/zinc/85/42/93/496854293.db2.gz KDKZRXTZOKMOCZ-UHFFFAOYSA-N 0 3 372.416 3.283 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000273623280 496856066 /nfs/dbraw/zinc/85/60/66/496856066.db2.gz ZUMRMWLVVCLWCA-LIRRHRJNSA-N 0 3 351.450 3.190 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000189101794 497009126 /nfs/dbraw/zinc/00/91/26/497009126.db2.gz WJOISHOLTURTCV-HNAYVOBHSA-N 0 3 354.450 3.161 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000248480901 497024310 /nfs/dbraw/zinc/02/43/10/497024310.db2.gz AUVPTIZINMCYNY-TWOQFEAHSA-N 0 3 355.482 3.357 20 10 FGCDHN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000274418363 497093472 /nfs/dbraw/zinc/09/34/72/497093472.db2.gz GLUNJBSTSYTNLV-GOSISDBHSA-N 0 3 353.510 3.175 20 10 FGCDHN COc1cccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000271061428 497255933 /nfs/dbraw/zinc/25/59/33/497255933.db2.gz HBMVPIVVMMXPDZ-UHFFFAOYSA-N 0 3 350.459 3.138 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000193137606 497311239 /nfs/dbraw/zinc/31/12/39/497311239.db2.gz DHZNQJXGUNIKLC-HKUYNNGSSA-N 0 3 366.461 3.225 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000193137606 497311244 /nfs/dbraw/zinc/31/12/44/497311244.db2.gz DHZNQJXGUNIKLC-HKUYNNGSSA-N 0 3 366.461 3.225 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191207776 497744158 /nfs/dbraw/zinc/74/41/58/497744158.db2.gz OGLXYRRRCDLHPT-CYBMUJFWSA-N 0 3 350.409 3.462 20 10 FGCDHN O=C(NCc1ccccc1O)NCC1CCN(Cc2cccs2)CC1 ZINC000263697388 497809430 /nfs/dbraw/zinc/80/94/30/497809430.db2.gz HVGCHZBWNLJPOZ-UHFFFAOYSA-N 0 3 359.495 3.165 20 10 FGCDHN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000280890587 497938096 /nfs/dbraw/zinc/93/80/96/497938096.db2.gz FBXZKEYTWYLHLH-OCCSQVGLSA-N 0 3 369.303 3.372 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364511904 497993986 /nfs/dbraw/zinc/99/39/86/497993986.db2.gz QYMIFMCZQCNVCR-GOSISDBHSA-N 0 3 350.422 3.010 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364511904 497993991 /nfs/dbraw/zinc/99/39/91/497993991.db2.gz QYMIFMCZQCNVCR-GOSISDBHSA-N 0 3 350.422 3.010 20 10 FGCDHN COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000364725130 498115111 /nfs/dbraw/zinc/11/51/11/498115111.db2.gz SSLOISLZPXVGMS-QGZVFWFLSA-N 0 3 358.482 3.015 20 10 FGCDHN COc1cccc(CNCc2ccc(OC(=O)C3CC3)c(OC)c2)c1O ZINC000289434975 498145931 /nfs/dbraw/zinc/14/59/31/498145931.db2.gz LGTOWIQTCPJOAO-UHFFFAOYSA-N 0 3 357.406 3.015 20 10 FGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](O)c1ccccc1 ZINC000289855371 498325650 /nfs/dbraw/zinc/32/56/50/498325650.db2.gz BKPOMWSIRWREDE-MRUHUIDDSA-N 0 3 358.457 3.435 20 10 FGCDHN COC1CCN(c2ccc(CN(CCO)Cc3ccccc3)cc2)CC1 ZINC000297136025 498328714 /nfs/dbraw/zinc/32/87/14/498328714.db2.gz NHYMDZIPAVMGIO-UHFFFAOYSA-N 0 3 354.494 3.296 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000293540943 498408029 /nfs/dbraw/zinc/40/80/29/498408029.db2.gz GATKRTYTCPCGEP-IRXDYDNUSA-N 0 3 356.869 3.042 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000293540943 498408037 /nfs/dbraw/zinc/40/80/37/498408037.db2.gz GATKRTYTCPCGEP-IRXDYDNUSA-N 0 3 356.869 3.042 20 10 FGCDHN COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000290099272 498428453 /nfs/dbraw/zinc/42/84/53/498428453.db2.gz HWFLDHDBIAADOU-QVKFZJNVSA-N 0 3 359.466 3.362 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000293685642 498453189 /nfs/dbraw/zinc/45/31/89/498453189.db2.gz KQTNBOCKOZSXSW-HNNXBMFYSA-N 0 3 362.495 3.110 20 10 FGCDHN C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])N1CCN(C)CC1 ZINC000293887379 498523563 /nfs/dbraw/zinc/52/35/63/498523563.db2.gz VTQDSUBLZDRMSD-UGKGYDQZSA-N 0 3 367.537 3.292 20 10 FGCDHN CCC[C@@](C)(N)C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366319932 498873499 /nfs/dbraw/zinc/87/34/99/498873499.db2.gz CTYNGYARXPIJEZ-SUMWQHHRSA-N 0 3 373.419 3.045 20 10 FGCDHN CCOc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)CC)cc2)c1O ZINC000283827756 498995087 /nfs/dbraw/zinc/99/50/87/498995087.db2.gz DWSQDXPGLDJAGM-CQSZACIVSA-N 0 3 363.479 3.435 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c([O-])c1C ZINC000363860714 499028686 /nfs/dbraw/zinc/02/86/86/499028686.db2.gz GUGBZXYZXIXYIH-GTPINHCMSA-N 0 3 366.527 3.006 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589109 499149753 /nfs/dbraw/zinc/14/97/53/499149753.db2.gz CGPAUWVGGLODPG-LSDHHAIUSA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589109 499149756 /nfs/dbraw/zinc/14/97/56/499149756.db2.gz CGPAUWVGGLODPG-LSDHHAIUSA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589109 499149757 /nfs/dbraw/zinc/14/97/57/499149757.db2.gz CGPAUWVGGLODPG-LSDHHAIUSA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323144 499181556 /nfs/dbraw/zinc/18/15/56/499181556.db2.gz ZNWYBBAAVXRTIO-HOTGVXAUSA-N 0 3 356.470 3.161 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323144 499181557 /nfs/dbraw/zinc/18/15/57/499181557.db2.gz ZNWYBBAAVXRTIO-HOTGVXAUSA-N 0 3 356.470 3.161 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1 ZINC000370374135 499214188 /nfs/dbraw/zinc/21/41/88/499214188.db2.gz MLNSJBCMTXBNQS-PKOBYXMFSA-N 0 3 352.478 3.442 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1 ZINC000370374134 499214216 /nfs/dbraw/zinc/21/42/16/499214216.db2.gz MLNSJBCMTXBNQS-MJGOQNOKSA-N 0 3 352.478 3.442 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000370373333 499214275 /nfs/dbraw/zinc/21/42/75/499214275.db2.gz IPMORLPBEIHGHB-HNAYVOBHSA-N 0 3 365.477 3.231 20 10 FGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1OCCc2sccc21 ZINC000368372077 499289879 /nfs/dbraw/zinc/28/98/79/499289879.db2.gz ZRWMEUAADVYEQG-MGPUTAFESA-N 0 3 358.507 3.377 20 10 FGCDHN CN1CCN(C[C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000368595653 499311647 /nfs/dbraw/zinc/31/16/47/499311647.db2.gz XRAZZBRKXITPOT-GOSISDBHSA-N 0 3 353.510 3.005 20 10 FGCDHN CN1CCN(C[C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000368595653 499311649 /nfs/dbraw/zinc/31/16/49/499311649.db2.gz XRAZZBRKXITPOT-GOSISDBHSA-N 0 3 353.510 3.005 20 10 FGCDHN CC(C)c1nnc([C@@H]2CC23CCN(Cc2cc4c(cc2O)OCO4)CC3)o1 ZINC000371334115 499312207 /nfs/dbraw/zinc/31/22/07/499312207.db2.gz XGJQHANOHUHRRX-AWEZNQCLSA-N 0 3 371.437 3.397 20 10 FGCDHN CC(C)c1nnc([C@@H]2CC23CC[NH+](Cc2cc4c(cc2[O-])OCO4)CC3)o1 ZINC000371334115 499312208 /nfs/dbraw/zinc/31/22/08/499312208.db2.gz XGJQHANOHUHRRX-AWEZNQCLSA-N 0 3 371.437 3.397 20 10 FGCDHN CCCOc1ccc(C[NH2+][C@H]2CCCc3cnn(CCOC)c32)c([O-])c1 ZINC000368857570 499340219 /nfs/dbraw/zinc/34/02/19/499340219.db2.gz WJZUPIXWSYQIQJ-SFHVURJKSA-N 0 3 359.470 3.191 20 10 FGCDHN COC(=O)c1ccnc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)c1 ZINC000371864777 499373290 /nfs/dbraw/zinc/37/32/90/499373290.db2.gz ODHHZQDJVSWMHE-ZDUSSCGKSA-N 0 3 373.428 3.033 20 10 FGCDHN COc1cccc([C@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2(C)C)c1 ZINC000530101546 503837249 /nfs/dbraw/zinc/83/72/49/503837249.db2.gz IQGHGJXXWOAIPH-QUCCMNQESA-N 0 3 369.461 3.452 20 10 FGCDHN COc1cccc([C@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2(C)C)c1 ZINC000530101546 503837254 /nfs/dbraw/zinc/83/72/54/503837254.db2.gz IQGHGJXXWOAIPH-QUCCMNQESA-N 0 3 369.461 3.452 20 10 FGCDHN CCOc1cccc(C[NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)c1[O-] ZINC000527771533 503936599 /nfs/dbraw/zinc/93/65/99/503936599.db2.gz GUDHEFDZVWJNEC-GOSISDBHSA-N 0 3 356.466 3.164 20 10 FGCDHN Cc1cccc(C[NH+]2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1[O-] ZINC000529663163 504754231 /nfs/dbraw/zinc/75/42/31/504754231.db2.gz XQNDHZKAQQPVKT-UHFFFAOYSA-N 0 3 371.481 3.432 20 10 FGCDHN CC[NH+](CC)C[C@@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671863 600717978 /nfs/dbraw/zinc/71/79/78/600717978.db2.gz QAJFDFLFOLXJSW-HNNXBMFYSA-N 0 3 356.466 3.407 20 10 FGCDHN CCN(CC)C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671863 600717979 /nfs/dbraw/zinc/71/79/79/600717979.db2.gz QAJFDFLFOLXJSW-HNNXBMFYSA-N 0 3 356.466 3.407 20 10 FGCDHN CCN(CC)C[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671863 600717980 /nfs/dbraw/zinc/71/79/80/600717980.db2.gz QAJFDFLFOLXJSW-HNNXBMFYSA-N 0 3 356.466 3.407 20 10 FGCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197149 607111317 /nfs/dbraw/zinc/11/13/17/607111317.db2.gz GUNATHIJIPHUBB-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197149 607111319 /nfs/dbraw/zinc/11/13/19/607111319.db2.gz GUNATHIJIPHUBB-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821197149 607111321 /nfs/dbraw/zinc/11/13/21/607111321.db2.gz GUNATHIJIPHUBB-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821197149 607111322 /nfs/dbraw/zinc/11/13/22/607111322.db2.gz GUNATHIJIPHUBB-UHFFFAOYSA-N 0 3 350.470 3.345 20 10 FGCDHN C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824592384 609143919 /nfs/dbraw/zinc/14/39/19/609143919.db2.gz MSAIAHGXIXJRFL-JTQLQIEISA-N 0 3 364.475 3.295 20 10 FGCDHN C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824592384 609143921 /nfs/dbraw/zinc/14/39/21/609143921.db2.gz MSAIAHGXIXJRFL-JTQLQIEISA-N 0 3 364.475 3.295 20 10 FGCDHN C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824592386 609144108 /nfs/dbraw/zinc/14/41/08/609144108.db2.gz MSAIAHGXIXJRFL-SNVBAGLBSA-N 0 3 364.475 3.295 20 10 FGCDHN C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824592386 609144109 /nfs/dbraw/zinc/14/41/09/609144109.db2.gz MSAIAHGXIXJRFL-SNVBAGLBSA-N 0 3 364.475 3.295 20 10 FGCDHN Cc1cc(O)c(CN2CCN(c3ncnc4ccsc43)CC2)cc1C ZINC000172917182 705436103 /nfs/dbraw/zinc/43/61/03/705436103.db2.gz JPWMJMCGSZUNMD-UHFFFAOYSA-N 0 3 354.479 3.336 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCSc3ccccc32)c1 ZINC000182362723 705837469 /nfs/dbraw/zinc/83/74/69/705837469.db2.gz XNPJMOPQLLGAAV-CYBMUJFWSA-N 0 3 358.463 3.190 20 10 FGCDHN CCN(CC)c1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000182918661 705869134 /nfs/dbraw/zinc/86/91/34/705869134.db2.gz MHDVWTDPDLFZOD-WMZOPIPTSA-N 0 3 356.507 3.117 20 10 FGCDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000189287823 712791065 /nfs/dbraw/zinc/79/10/65/712791065.db2.gz XWALWDHJAFAWGG-HNNXBMFYSA-N 0 3 360.479 3.125 20 10 FGCDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000189287823 712791068 /nfs/dbraw/zinc/79/10/68/712791068.db2.gz XWALWDHJAFAWGG-HNNXBMFYSA-N 0 3 360.479 3.125 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1[O-] ZINC000382731956 713980465 /nfs/dbraw/zinc/98/04/65/713980465.db2.gz LOBKUKTUAMRQNV-AATRIKPKSA-N 0 3 356.850 3.225 20 10 FGCDHN Oc1cc2c(cc1CNCc1cc(Cl)c3c(c1)OCCCO3)OCO2 ZINC000727468991 722444809 /nfs/dbraw/zinc/44/48/09/722444809.db2.gz RBHFSJWNSASFFC-UHFFFAOYSA-N 0 3 363.797 3.225 20 10 FGCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000733326311 722495734 /nfs/dbraw/zinc/49/57/34/722495734.db2.gz WGRYZWBGSYPWTD-CYBMUJFWSA-N 0 3 365.474 3.114 20 10 FGCDHN COc1cc(Br)cc(CN2CCC([C@@H]3CCOC3)CC2)c1O ZINC000753576225 722905374 /nfs/dbraw/zinc/90/53/74/722905374.db2.gz PROHMKOPOXQXPV-CYBMUJFWSA-N 0 3 370.287 3.412 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000758529322 722991225 /nfs/dbraw/zinc/99/12/25/722991225.db2.gz UROKWRXFDVMNMX-CQSZACIVSA-N 0 3 350.256 3.096 20 10 FGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@]12CCCO2 ZINC000761225605 723134621 /nfs/dbraw/zinc/13/46/21/723134621.db2.gz JWMRAVDERDMFHO-ZMSDIMECSA-N 0 3 370.287 3.279 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1[O-] ZINC000792193133 723320200 /nfs/dbraw/zinc/32/02/00/723320200.db2.gz RAUMCDLNCPLKEZ-GFCCVEGCSA-N 0 3 371.811 3.273 20 10 FGCDHN Cc1ccc(O)c(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000769387146 723683960 /nfs/dbraw/zinc/68/39/60/723683960.db2.gz JBOYAMKZDKPXLN-LJQANCHMSA-N 0 3 360.885 3.205 20 10 FGCDHN CCc1nn(C)cc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000770735475 723720312 /nfs/dbraw/zinc/72/03/12/723720312.db2.gz VKSPYAOZXXFAFR-KRWDZBQOSA-N 0 3 362.905 3.096 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000775361189 723985425 /nfs/dbraw/zinc/98/54/25/723985425.db2.gz BCDRTYZBOAIXRY-UHFFFAOYSA-N 0 3 356.344 3.069 20 10 FGCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776775915 724181795 /nfs/dbraw/zinc/18/17/95/724181795.db2.gz QJXMULBIMFIOLK-CQSZACIVSA-N 0 3 373.254 3.346 20 10 FGCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000776775915 724181798 /nfs/dbraw/zinc/18/17/98/724181798.db2.gz QJXMULBIMFIOLK-CQSZACIVSA-N 0 3 373.254 3.346 20 10 FGCDHN COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000788622316 725076508 /nfs/dbraw/zinc/07/65/08/725076508.db2.gz AMWNIRNISMDBQM-UGFHNGPFSA-N 0 3 358.276 3.308 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806138323 725117565 /nfs/dbraw/zinc/11/75/65/725117565.db2.gz UBUNLHDKDXYZHC-QAPCUYQASA-N 0 3 353.938 3.360 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000806179484 725119776 /nfs/dbraw/zinc/11/97/76/725119776.db2.gz RWMREUJKJRTGDC-OCCSQVGLSA-N 0 3 365.271 3.285 20 10 FGCDHN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808682243 725213312 /nfs/dbraw/zinc/21/33/12/725213312.db2.gz PGSGLHFHVCUYKN-ZDUSSCGKSA-N 0 3 362.857 3.330 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1[O-] ZINC000808713052 725214529 /nfs/dbraw/zinc/21/45/29/725214529.db2.gz DXXSEVPCFOKKTF-CQSZACIVSA-N 0 3 361.873 3.436 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)NCc2cccc(N3CCOCC3)n2)c1O ZINC000808713052 725214531 /nfs/dbraw/zinc/21/45/31/725214531.db2.gz DXXSEVPCFOKKTF-CQSZACIVSA-N 0 3 361.873 3.436 20 10 FGCDHN CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815559404 727083862 /nfs/dbraw/zinc/08/38/62/727083862.db2.gz FZCJGGLNMSKOSR-ZIAGYGMSSA-N 0 3 359.436 3.088 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000816630750 727182306 /nfs/dbraw/zinc/18/23/06/727182306.db2.gz QIESOFMLPQXQHI-CQSZACIVSA-N 0 3 356.260 3.043 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000816630750 727182309 /nfs/dbraw/zinc/18/23/09/727182309.db2.gz QIESOFMLPQXQHI-CQSZACIVSA-N 0 3 356.260 3.043 20 10 FGCDHN Cc1ccc(C[C@@H](CO)C[NH2+]Cc2ccccc2[O-])cc1Br ZINC000825073151 729369779 /nfs/dbraw/zinc/36/97/79/729369779.db2.gz RVTBZIYVDWUMSG-OAHLLOKOSA-N 0 3 364.283 3.404 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1[O-] ZINC000827554749 729431666 /nfs/dbraw/zinc/43/16/66/729431666.db2.gz JTAJCDZCMQRNLP-GFCCVEGCSA-N 0 3 369.303 3.200 20 10 FGCDHN COc1cc(Cl)cc(CN[C@@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000827924432 729437227 /nfs/dbraw/zinc/43/72/27/729437227.db2.gz TVSIDDXDVBMPGB-OAHLLOKOSA-N 0 3 352.862 3.077 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)c1[O-] ZINC000827924432 729437228 /nfs/dbraw/zinc/43/72/28/729437228.db2.gz TVSIDDXDVBMPGB-OAHLLOKOSA-N 0 3 352.862 3.077 20 10 FGCDHN CN1CCN([C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)c2cccs2)CC1 ZINC000834487770 729807519 /nfs/dbraw/zinc/80/75/19/729807519.db2.gz LQPDVYAKTZBTQO-DLBZAZTESA-N 0 3 357.523 3.019 20 10 FGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000834597269 729816992 /nfs/dbraw/zinc/81/69/92/729816992.db2.gz FYHVSKKXNZBBPW-GDBMZVCRSA-N 0 3 361.825 3.127 20 10 FGCDHN CCS(=O)(=O)CCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890696 730188740 /nfs/dbraw/zinc/18/87/40/730188740.db2.gz OHNFVFQLDAUHDN-HNNXBMFYSA-N 0 3 356.507 3.291 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ncc(C2OCCO2)s1 ZINC000840975026 730199845 /nfs/dbraw/zinc/19/98/45/730199845.db2.gz BMYIEMDGFMYBIY-CQSZACIVSA-N 0 3 361.511 3.284 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ncc(C2OCCO2)s1 ZINC000840975024 730200016 /nfs/dbraw/zinc/20/00/16/730200016.db2.gz BMYIEMDGFMYBIY-AWEZNQCLSA-N 0 3 361.511 3.284 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1[O-] ZINC000842919972 730557049 /nfs/dbraw/zinc/55/70/49/730557049.db2.gz OEAKQYSWWKYPIJ-YVEFUNNKSA-N 0 3 372.303 3.291 20 10 FGCDHN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000844858674 730781541 /nfs/dbraw/zinc/78/15/41/730781541.db2.gz MHKUYSJTEIIDFM-QGZVFWFLSA-N 0 3 359.857 3.119 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1[O-] ZINC000848535793 731177564 /nfs/dbraw/zinc/17/75/64/731177564.db2.gz GWWWOMVRSABORY-CBAPKCEASA-N 0 3 372.181 3.127 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000848551298 731180096 /nfs/dbraw/zinc/18/00/96/731180096.db2.gz IUECHGLYMCDDGN-YGRLFVJLSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000850137304 731324596 /nfs/dbraw/zinc/32/45/96/731324596.db2.gz MHNSNEAJHAJDPL-KRWDZBQOSA-N 0 3 361.873 3.203 20 10 FGCDHN O=[N+]([O-])c1cc(CNCCO[C@H]2CC2(F)F)ccc1N1CCCCC1 ZINC000850365538 731348609 /nfs/dbraw/zinc/34/86/09/731348609.db2.gz JQOWDZZSHILEAY-INIZCTEOSA-N 0 3 355.385 3.099 20 10 FGCDHN CN(C)c1ccc(/C=C/CNCC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000850376397 731349927 /nfs/dbraw/zinc/34/99/27/731349927.db2.gz IAJZHOAJYXVPPZ-BQYQJAHWSA-N 0 3 350.528 3.103 20 10 FGCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])[C@H]1CCOC1 ZINC000850484715 731361766 /nfs/dbraw/zinc/36/17/66/731361766.db2.gz OXLFGKJYFYUXIP-SLEUVZQESA-N 0 3 358.276 3.165 20 10 FGCDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000850545574 731371503 /nfs/dbraw/zinc/37/15/03/731371503.db2.gz HILXZNLYJOWLTQ-DOPJRALCSA-N 0 3 350.890 3.131 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2CCC(O)CC2)c1[O-] ZINC000850553156 731372192 /nfs/dbraw/zinc/37/21/92/731372192.db2.gz SUYFEIJLBHLFQS-XSRFYTQQSA-N 0 3 358.276 3.365 20 10 FGCDHN CCS(=O)(=O)C1(CN[C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000850558810 731373221 /nfs/dbraw/zinc/37/32/21/731373221.db2.gz XGHQNTUDJRKRKB-MRXNPFEDSA-N 0 3 350.528 3.295 20 10 FGCDHN OC1CCN(c2ccc(CN[C@H]3CCc4nc(Cl)ccc43)cc2)CC1 ZINC000850567953 731374263 /nfs/dbraw/zinc/37/42/63/731374263.db2.gz MSNOEVAFWCIYPV-SFHVURJKSA-N 0 3 357.885 3.473 20 10 FGCDHN CNC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000854233057 731807045 /nfs/dbraw/zinc/80/70/45/731807045.db2.gz WBDGEFUVDXQPSK-JGVFFNPUSA-N 0 3 366.097 3.176 20 10 FGCDHN Cc1cc(Br)cc(CN[C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862432841 732834417 /nfs/dbraw/zinc/83/44/17/732834417.db2.gz PDKVXUSJAMVPTL-KRWDZBQOSA-N 0 3 366.255 3.166 20 10 FGCDHN CCOc1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c([O-])c1 ZINC000865720665 733259208 /nfs/dbraw/zinc/25/92/08/733259208.db2.gz FQGITCYZSOVDDM-UHFFFAOYSA-N 0 3 359.495 3.029 20 10 FGCDHN CCCOc1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000873130035 735723842 /nfs/dbraw/zinc/72/38/42/735723842.db2.gz XXLKHNFOXOJZKA-QGZVFWFLSA-N 0 3 359.491 3.445 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)c1[O-] ZINC000903439604 743852139 /nfs/dbraw/zinc/85/21/39/743852139.db2.gz GGXPUAXTIHNOFI-HERUPUMHSA-N 0 3 356.260 3.239 20 10 FGCDHN Cc1cc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])nn1C ZINC000926912778 759846790 /nfs/dbraw/zinc/84/67/90/759846790.db2.gz YVABCKWGXOBGCD-LBPRGKRZSA-N 0 3 352.276 3.398 20 10 FGCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(Br)c1OC ZINC000134237427 495125030 /nfs/dbraw/zinc/12/50/30/495125030.db2.gz GTSUUAQKOFFXCQ-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]CCCc1nc(-c3ccncc3)cs1)OCO2 ZINC000113356173 495298698 /nfs/dbraw/zinc/29/86/98/495298698.db2.gz RMUHRMQSHVTHHL-UHFFFAOYSA-N 0 3 369.446 3.362 20 10 FGCDHN COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000125390176 495437095 /nfs/dbraw/zinc/43/70/95/495437095.db2.gz HDRIRTSGNVOXHA-BTYIYWSLSA-N 0 3 374.456 3.055 20 10 FGCDHN COc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1[O-] ZINC000154739557 495713524 /nfs/dbraw/zinc/71/35/24/495713524.db2.gz ZXBJWBPEEVVYJT-UHFFFAOYSA-N 0 3 372.440 3.068 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(NS(C)(=O)=O)cc1 ZINC000171379146 495846593 /nfs/dbraw/zinc/84/65/93/495846593.db2.gz TVDDEWFUQOHFDS-HNNXBMFYSA-N 0 3 373.522 3.291 20 10 FGCDHN COc1ccc([O-])c(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000183177834 495868292 /nfs/dbraw/zinc/86/82/92/495868292.db2.gz WMSJOHCLPYTSRT-UHFFFAOYSA-N 0 3 357.385 3.312 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1[O-] ZINC000186276348 495925064 /nfs/dbraw/zinc/92/50/64/495925064.db2.gz SNYHSWDPUDOGDA-RTBURBONSA-N 0 3 354.450 3.243 20 10 FGCDHN c1ccc2c(c1)CO[C@]21CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000186444834 496000433 /nfs/dbraw/zinc/00/04/33/496000433.db2.gz GPRSJCBRNHLAGT-QFIPXVFZSA-N 0 3 350.462 3.155 20 10 FGCDHN COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178449500 496461586 /nfs/dbraw/zinc/46/15/86/496461586.db2.gz PZALFHKTBWESRC-FOIQADDNSA-N 0 3 374.456 3.055 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000184674924 496488852 /nfs/dbraw/zinc/48/88/52/496488852.db2.gz DLZNLSCPCLUZIC-UHFFFAOYSA-N 0 3 366.889 3.279 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185118267 496668250 /nfs/dbraw/zinc/66/82/50/496668250.db2.gz DCNWFFZBERJKCA-CQSZACIVSA-N 0 3 374.456 3.352 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000185118267 496668257 /nfs/dbraw/zinc/66/82/57/496668257.db2.gz DCNWFFZBERJKCA-CQSZACIVSA-N 0 3 374.456 3.352 20 10 FGCDHN C[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154080092 496677415 /nfs/dbraw/zinc/67/74/15/496677415.db2.gz XBTISRJXJQKHST-HNAYVOBHSA-N 0 3 361.461 3.209 20 10 FGCDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273610335 496853249 /nfs/dbraw/zinc/85/32/49/496853249.db2.gz VOGJJWPXZAYAQH-CABCVRRESA-N 0 3 362.495 3.329 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)cc1OC ZINC000191780084 496887421 /nfs/dbraw/zinc/88/74/21/496887421.db2.gz LCHVJLSWYVSJFP-QVKFZJNVSA-N 0 3 359.466 3.129 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccccc1[O-] ZINC000274819479 497174749 /nfs/dbraw/zinc/17/47/49/497174749.db2.gz BKAVHIOZBFGZBP-QGZVFWFLSA-N 0 3 372.465 3.109 20 10 FGCDHN O=[N+]([O-])c1cc(CNCc2cc3c(cc2O)OCO3)cc(C(F)(F)F)c1 ZINC000278868998 497248528 /nfs/dbraw/zinc/24/85/28/497248528.db2.gz YKCYENUKRWHIKN-UHFFFAOYSA-N 0 3 370.283 3.338 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H](O)c1c(F)cccc1F ZINC000266297364 497298339 /nfs/dbraw/zinc/29/83/39/497298339.db2.gz LNIIDUYOUKZDBT-SCLBCKFNSA-N 0 3 351.349 3.001 20 10 FGCDHN CCN(CC)c1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1F ZINC000275458095 497332288 /nfs/dbraw/zinc/33/22/88/497332288.db2.gz GZJFPKHPOFTHIQ-HKUYNNGSSA-N 0 3 360.477 3.415 20 10 FGCDHN CC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cn1 ZINC000279463735 497446436 /nfs/dbraw/zinc/44/64/36/497446436.db2.gz UTDGLKGKDQAHHT-UHFFFAOYSA-N 0 3 364.243 3.106 20 10 FGCDHN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000271795599 497453350 /nfs/dbraw/zinc/45/33/50/497453350.db2.gz HUFQULCFLLSDKY-RNODOKPDSA-N 0 3 361.438 3.284 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCN(C)C[C@H]3C)cc2)CC1 ZINC000246410499 497724029 /nfs/dbraw/zinc/72/40/29/497724029.db2.gz UUADOMZFMSWTOP-NQIIRXRSSA-N 0 3 372.557 3.405 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c([O-])c1C ZINC000277140308 497754202 /nfs/dbraw/zinc/75/42/02/497754202.db2.gz CTVVPFUDDBMHLS-OAHLLOKOSA-N 0 3 368.543 3.252 20 10 FGCDHN CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000277240636 497786129 /nfs/dbraw/zinc/78/61/29/497786129.db2.gz OEKIAGKQFLCWOR-INIZCTEOSA-N 0 3 354.516 3.026 20 10 FGCDHN O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295872370 497838453 /nfs/dbraw/zinc/83/84/53/497838453.db2.gz HFAAYEFINVCIEE-GOSISDBHSA-N 0 3 354.425 3.413 20 10 FGCDHN c1nnc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CCCCC2)[nH]1 ZINC000292084529 497870681 /nfs/dbraw/zinc/87/06/81/497870681.db2.gz ILCQEBFMJXJMPF-IBGZPJMESA-N 0 3 355.486 3.053 20 10 FGCDHN c1nnc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCCCC2)[n-]1 ZINC000292084529 497870687 /nfs/dbraw/zinc/87/06/87/497870687.db2.gz ILCQEBFMJXJMPF-IBGZPJMESA-N 0 3 355.486 3.053 20 10 FGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292178138 497911788 /nfs/dbraw/zinc/91/17/88/497911788.db2.gz OKYJGSSMTPXPHP-KRWDZBQOSA-N 0 3 367.493 3.076 20 10 FGCDHN COC1CCN(c2ccc(CN3CCS[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000296685549 498152092 /nfs/dbraw/zinc/15/20/92/498152092.db2.gz CAXRCMZOZUCFNJ-WOJBJXKFSA-N 0 3 362.539 3.008 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000363768210 498983924 /nfs/dbraw/zinc/98/39/24/498983924.db2.gz MTSMPAAXHVVRPK-AWEZNQCLSA-N 0 3 352.438 3.384 20 10 FGCDHN COC1CCN(c2ccc(CN3CCC[C@H](c4nc(C)no4)C3)cc2)CC1 ZINC000295471462 499027647 /nfs/dbraw/zinc/02/76/47/499027647.db2.gz IRQNBZQNECTYNX-SFHVURJKSA-N 0 3 370.497 3.373 20 10 FGCDHN COc1ccc(O)c([C@H](C)Nc2ccc(OC3CCN(C)CC3)nc2)c1 ZINC000363862008 499029890 /nfs/dbraw/zinc/02/98/90/499029890.db2.gz YAVBAOUCJPDJRH-AWEZNQCLSA-N 0 3 357.454 3.442 20 10 FGCDHN CCOCc1cc(CNCc2ccccc2Cn2cncn2)ccc1OC ZINC000299478136 499070663 /nfs/dbraw/zinc/07/06/63/499070663.db2.gz ZEFABTKIMYFDQQ-UHFFFAOYSA-N 0 3 366.465 3.161 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000372497484 499134578 /nfs/dbraw/zinc/13/45/78/499134578.db2.gz QGVOAZOZNNAPDP-MFKMUULPSA-N 0 3 350.260 3.394 20 10 FGCDHN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000368036064 499258138 /nfs/dbraw/zinc/25/81/38/499258138.db2.gz QHTXHOSZOFREJV-ZDUSSCGKSA-N 0 3 362.861 3.415 20 10 FGCDHN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000368036064 499258140 /nfs/dbraw/zinc/25/81/40/499258140.db2.gz QHTXHOSZOFREJV-ZDUSSCGKSA-N 0 3 362.861 3.415 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369519602 499412160 /nfs/dbraw/zinc/41/21/60/499412160.db2.gz BYLZMFWPJSXIML-KBXCAEBGSA-N 0 3 359.495 3.288 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000369519612 499412173 /nfs/dbraw/zinc/41/21/73/499412173.db2.gz BYLZMFWPJSXIML-RDTXWAMCSA-N 0 3 359.495 3.288 20 10 FGCDHN COc1cc(CNCc2ccc3c(c2)CCN3C)ccc1OC(=O)C1CC1 ZINC000372413195 499431834 /nfs/dbraw/zinc/43/18/34/499431834.db2.gz VKYFGRIWWVRCIM-UHFFFAOYSA-N 0 3 366.461 3.293 20 10 FGCDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000373183326 499455954 /nfs/dbraw/zinc/45/59/54/499455954.db2.gz PNTDEGBZWQZODO-YXMGTMDOSA-N 0 3 353.378 3.053 20 10 FGCDHN CN(C)c1ccc(CN2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)cc1F ZINC000376507063 499613668 /nfs/dbraw/zinc/61/36/68/499613668.db2.gz TZBODGRNCZIPQS-QGZVFWFLSA-N 0 3 359.489 3.115 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000471733898 502122951 /nfs/dbraw/zinc/12/29/51/502122951.db2.gz DCXJKWDSMRRGAF-HZPDHXFCSA-N 0 3 356.514 3.406 20 10 FGCDHN COC[C@@]1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])COc2ccccc2C1 ZINC000529668055 504756361 /nfs/dbraw/zinc/75/63/61/504756361.db2.gz HCLXKJAGUXIWPI-LJQANCHMSA-N 0 3 363.841 3.164 20 10 FGCDHN C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714582 600986443 /nfs/dbraw/zinc/98/64/43/600986443.db2.gz VDVSOEXXTJWCOP-MRXNPFEDSA-N 0 3 368.477 3.407 20 10 FGCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714582 600986446 /nfs/dbraw/zinc/98/64/46/600986446.db2.gz VDVSOEXXTJWCOP-MRXNPFEDSA-N 0 3 368.477 3.407 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c1[O-] ZINC000124090561 700714696 /nfs/dbraw/zinc/71/46/96/700714696.db2.gz DNPZVEJYCIJBEA-OAHLLOKOSA-N 0 3 372.284 3.222 20 10 FGCDHN CN(CCNC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000152710347 704971812 /nfs/dbraw/zinc/97/18/12/704971812.db2.gz CWVQMIXNCABYSR-UHFFFAOYSA-N 0 3 364.540 3.057 20 10 FGCDHN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184854696 712677423 /nfs/dbraw/zinc/67/74/23/712677423.db2.gz GTSCJGKWGMAHLU-CZUORRHYSA-N 0 3 350.459 3.317 20 10 FGCDHN Cc1cc2c(ncnc2N2CCN(Cc3cccc(C)c3O)CC2)s1 ZINC000188758780 712776928 /nfs/dbraw/zinc/77/69/28/712776928.db2.gz SSFRYTYDLVJUMX-UHFFFAOYSA-N 0 3 354.479 3.336 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000381406823 713978889 /nfs/dbraw/zinc/97/88/89/713978889.db2.gz WSYBAUIJPGWIQT-MNOVXSKESA-N 0 3 358.866 3.446 20 10 FGCDHN CN1CCN([C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])c2cccs2)CC1 ZINC000725841500 722424699 /nfs/dbraw/zinc/42/46/99/722424699.db2.gz LDGDVPKIIFPWQB-INIZCTEOSA-N 0 3 365.930 3.185 20 10 FGCDHN COC(=O)C[C@H]1CSCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000740856907 722538484 /nfs/dbraw/zinc/53/84/84/722538484.db2.gz XNSOIAYVMJGWIV-AWEZNQCLSA-N 0 3 361.463 3.035 20 10 FGCDHN COC(=O)C[C@H]1CSCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000740856907 722538485 /nfs/dbraw/zinc/53/84/85/722538485.db2.gz XNSOIAYVMJGWIV-AWEZNQCLSA-N 0 3 361.463 3.035 20 10 FGCDHN COCC[NH+](CCOC)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000747450570 722647404 /nfs/dbraw/zinc/64/74/04/722647404.db2.gz VRGOXCPEXDQURE-UHFFFAOYSA-N 0 3 368.271 3.403 20 10 FGCDHN COc1ccc(CNCc2cccc(Br)c2OC)c(O)c1 ZINC000752264364 722851587 /nfs/dbraw/zinc/85/15/87/722851587.db2.gz CTWRTVGQMZYZJA-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN COc1ccc(C[NH2+]Cc2cccc(Br)c2OC)c([O-])c1 ZINC000752264364 722851589 /nfs/dbraw/zinc/85/15/89/722851589.db2.gz CTWRTVGQMZYZJA-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN COC(=O)C[C@@H]1CSCCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754742663 722945196 /nfs/dbraw/zinc/94/51/96/722945196.db2.gz WJBPJCSJBMXOQI-CQSZACIVSA-N 0 3 367.511 3.179 20 10 FGCDHN CN(C)c1ccc(CNCC[S@](=O)C(C)(C)C)c(C(F)(F)F)c1 ZINC000792992050 723390808 /nfs/dbraw/zinc/39/08/08/723390808.db2.gz GBOBRACHPLWUKW-QHCPKHFHSA-N 0 3 350.450 3.408 20 10 FGCDHN C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765995755 723550556 /nfs/dbraw/zinc/55/05/56/723550556.db2.gz WXXMFTXLQIQPHC-RKVPGOIHSA-N 0 3 352.906 3.415 20 10 FGCDHN CCCN(CCC)c1ccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000796491065 723639969 /nfs/dbraw/zinc/63/99/69/723639969.db2.gz PCUHYENYLNWLAQ-INIZCTEOSA-N 0 3 352.544 3.368 20 10 FGCDHN COc1cccc([O-])c1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768862336 723669959 /nfs/dbraw/zinc/66/99/59/723669959.db2.gz ADXJOWHFQXTLHK-UHFFFAOYSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768862336 723669960 /nfs/dbraw/zinc/66/99/60/723669960.db2.gz ADXJOWHFQXTLHK-UHFFFAOYSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769196426 723679295 /nfs/dbraw/zinc/67/92/95/723679295.db2.gz WCHALUJBNQDXOU-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769196426 723679296 /nfs/dbraw/zinc/67/92/96/723679296.db2.gz WCHALUJBNQDXOU-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000775175035 723968532 /nfs/dbraw/zinc/96/85/32/723968532.db2.gz FKTHCSFSMYVVQH-MRXNPFEDSA-N 0 3 358.276 3.290 20 10 FGCDHN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000775175035 723968534 /nfs/dbraw/zinc/96/85/34/723968534.db2.gz FKTHCSFSMYVVQH-MRXNPFEDSA-N 0 3 358.276 3.290 20 10 FGCDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000776812177 724185409 /nfs/dbraw/zinc/18/54/09/724185409.db2.gz QVUGLGHCLCMLSH-ZBFHGGJFSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000784682796 724872243 /nfs/dbraw/zinc/87/22/43/724872243.db2.gz MFZRXEMBBDRMAT-HZPDHXFCSA-N 0 3 356.260 3.211 20 10 FGCDHN COC(=O)[C@@H]1[C@H](CN(C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769359 725038046 /nfs/dbraw/zinc/03/80/46/725038046.db2.gz DUTUVNNFWPBBGH-IRXDYDNUSA-N 0 3 352.425 3.163 20 10 FGCDHN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000809741385 725264098 /nfs/dbraw/zinc/26/40/98/725264098.db2.gz OCVYMJYUNRPTDX-INIZCTEOSA-N 0 3 372.340 3.299 20 10 FGCDHN CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000809741385 725264099 /nfs/dbraw/zinc/26/40/99/725264099.db2.gz OCVYMJYUNRPTDX-INIZCTEOSA-N 0 3 372.340 3.299 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000815166246 727047507 /nfs/dbraw/zinc/04/75/07/727047507.db2.gz DTXYSPFCHOSBBL-UHFFFAOYSA-N 0 3 369.870 3.008 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817419230 727250056 /nfs/dbraw/zinc/25/00/56/727250056.db2.gz RCXPZUKFOHLAHI-GFCCVEGCSA-N 0 3 358.276 3.148 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817419230 727250057 /nfs/dbraw/zinc/25/00/57/727250057.db2.gz RCXPZUKFOHLAHI-GFCCVEGCSA-N 0 3 358.276 3.148 20 10 FGCDHN COc1ccc(N2CC[C@@H](CNCc3c(Cl)nc(Cl)n3C)C2)cc1 ZINC000818219054 727302192 /nfs/dbraw/zinc/30/21/92/727302192.db2.gz AXRDOBJGTBFWJP-LBPRGKRZSA-N 0 3 369.296 3.352 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@]3(CCOC3)C2)c1O ZINC000825133480 729372310 /nfs/dbraw/zinc/37/23/10/729372310.db2.gz HGFYIGSMCXRFJM-INIZCTEOSA-N 0 3 356.260 3.166 20 10 FGCDHN Cc1cc([C@@H](N)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000825942515 729400266 /nfs/dbraw/zinc/40/02/66/729400266.db2.gz BPUWVIYKJBVHSY-KRWDZBQOSA-N 0 3 360.889 3.158 20 10 FGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000834597270 729816979 /nfs/dbraw/zinc/81/69/79/729816979.db2.gz FYHVSKKXNZBBPW-GOEBONIOSA-N 0 3 361.825 3.127 20 10 FGCDHN CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H](O)C(F)F ZINC000834875853 729840942 /nfs/dbraw/zinc/84/09/42/729840942.db2.gz UUHKJKRDWFGRCY-UVBJJODRSA-N 0 3 362.848 3.232 20 10 FGCDHN Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc([O-])cs3)C2)s1 ZINC000846653098 730970765 /nfs/dbraw/zinc/97/07/65/730970765.db2.gz ZUWRLCMYXCSQPC-CYBMUJFWSA-N 0 3 350.509 3.418 20 10 FGCDHN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc([O-])cs3)C2)s1 ZINC000846653098 730970768 /nfs/dbraw/zinc/97/07/68/730970768.db2.gz ZUWRLCMYXCSQPC-CYBMUJFWSA-N 0 3 350.509 3.418 20 10 FGCDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)C3=CC(=O)CS3)C2)s1 ZINC000846653098 730970769 /nfs/dbraw/zinc/97/07/69/730970769.db2.gz ZUWRLCMYXCSQPC-CYBMUJFWSA-N 0 3 350.509 3.418 20 10 FGCDHN CCN1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848520169 731174779 /nfs/dbraw/zinc/17/47/79/731174779.db2.gz PNJVSSCYLKABNA-LLVKDONJSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1[O-] ZINC000848524587 731175220 /nfs/dbraw/zinc/17/52/20/731175220.db2.gz HDDQHCMOCQLANC-WDEREUQCSA-N 0 3 366.259 3.235 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)N[C@H](C)c2cnn(C)c2)c1O ZINC000848529175 731175983 /nfs/dbraw/zinc/17/59/83/731175983.db2.gz LADUFVOELQHBHH-NXEZZACHSA-N 0 3 354.248 3.309 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)c1[O-] ZINC000848529175 731175985 /nfs/dbraw/zinc/17/59/85/731175985.db2.gz LADUFVOELQHBHH-NXEZZACHSA-N 0 3 354.248 3.309 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)c1[O-] ZINC000848532258 731176403 /nfs/dbraw/zinc/17/64/03/731176403.db2.gz BJMPDIOBSUBKDS-QWRGUYRKSA-N 0 3 354.248 3.099 20 10 FGCDHN COc1cc(Br)cc([C@H](C)NCc2cc(C)nn2C)c1O ZINC000848549299 731179766 /nfs/dbraw/zinc/17/97/66/731179766.db2.gz SFZVQKUPYZVALK-JTQLQIEISA-N 0 3 354.248 3.056 20 10 FGCDHN COCc1csc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000850072974 731315077 /nfs/dbraw/zinc/31/50/77/731315077.db2.gz SHOFRJSBDMFEFC-UHFFFAOYSA-N 0 3 364.486 3.285 20 10 FGCDHN COc1ccc(N2CC[C@H](NCc3ccc(Br)cn3)C2)cc1 ZINC000850347594 731345210 /nfs/dbraw/zinc/34/52/10/731345210.db2.gz UMLPERSKSXSMDC-HNNXBMFYSA-N 0 3 362.271 3.221 20 10 FGCDHN COc1ccc(N2CC[C@@H](NCc3cn4cc(Cl)ccc4n3)C2)cc1 ZINC000850347687 731345817 /nfs/dbraw/zinc/34/58/17/731345817.db2.gz VWUYNVUILMPJBD-OAHLLOKOSA-N 0 3 356.857 3.365 20 10 FGCDHN CCCN(CCC)c1ccc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 ZINC000850368956 731349018 /nfs/dbraw/zinc/34/90/18/731349018.db2.gz QFWAUGGTCRUOTQ-SJLPKXTDSA-N 0 3 352.544 3.368 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1[O-] ZINC000850545545 731371550 /nfs/dbraw/zinc/37/15/50/731371550.db2.gz HBDLIVIYNPYCEN-JQWIXIFHSA-N 0 3 358.276 3.223 20 10 FGCDHN CCOc1ccc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000853084199 731662158 /nfs/dbraw/zinc/66/21/58/731662158.db2.gz CEFDPOUOEGEBDE-IBGZPJMESA-N 0 3 350.459 3.280 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)c2ncsc2C2CC2)N(C)C)cc1 ZINC000891243559 739885990 /nfs/dbraw/zinc/88/59/90/739885990.db2.gz QGHIVVUDZLZMAI-INIZCTEOSA-N 0 3 358.511 3.119 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1[O-] ZINC000895535935 742423942 /nfs/dbraw/zinc/42/39/42/742423942.db2.gz FLQJAEYYQPBDGO-OAHLLOKOSA-N 0 3 355.862 3.120 20 10 FGCDHN C[C@@](CO)([NH2+]Cc1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC000898168898 742752664 /nfs/dbraw/zinc/75/26/64/742752664.db2.gz TUJXPMHCLMRRPI-INIZCTEOSA-N 0 3 354.219 3.291 20 10 FGCDHN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000903131591 743810817 /nfs/dbraw/zinc/81/08/17/743810817.db2.gz UVTYYMJJJKWWMW-FOGDFJRCSA-N 0 3 372.259 3.156 20 10 FGCDHN C[NH+](C)CC[C@@H](NCc1c([O-])cccc1Br)c1cccnc1 ZINC000922630788 758965128 /nfs/dbraw/zinc/96/51/28/758965128.db2.gz BLEVILGCKQSIOA-MRXNPFEDSA-N 0 3 364.287 3.332 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)c1[O-] ZINC000779023314 724381801 /nfs/dbraw/zinc/38/18/01/724381801.db2.gz FHDYNTRPQOFKKC-TZMCWYRMSA-N 0 3 358.276 3.309 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1[O-] ZINC000779022768 724381875 /nfs/dbraw/zinc/38/18/75/724381875.db2.gz ZRLWERCZNGDBFI-CYBMUJFWSA-N 0 3 371.319 3.225 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000092485113 494642506 /nfs/dbraw/zinc/64/25/06/494642506.db2.gz WOJBLRWSTVFFFM-UHFFFAOYSA-N 0 3 360.479 3.247 20 10 FGCDHN CCOc1cccc(C[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1[O-] ZINC000092644975 494693977 /nfs/dbraw/zinc/69/39/77/494693977.db2.gz GYWGLWRIBAVTFR-UHFFFAOYSA-N 0 3 370.497 3.299 20 10 FGCDHN CCOc1cccc(C[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1[O-] ZINC000092644975 494693985 /nfs/dbraw/zinc/69/39/85/494693985.db2.gz GYWGLWRIBAVTFR-UHFFFAOYSA-N 0 3 370.497 3.299 20 10 FGCDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c(C)n1-c1ccccn1 ZINC000119230502 495122474 /nfs/dbraw/zinc/12/24/74/495122474.db2.gz FKQURGCJFYJTGV-HKUYNNGSSA-N 0 3 352.482 3.045 20 10 FGCDHN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000186049913 495836700 /nfs/dbraw/zinc/83/67/00/495836700.db2.gz WKOSKWGIGWZZDO-DNVCBOLYSA-N 0 3 354.450 3.161 20 10 FGCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000155270743 495899046 /nfs/dbraw/zinc/89/90/46/495899046.db2.gz OPYNYMFJENMBDD-KSSFIOAISA-N 0 3 362.495 3.444 20 10 FGCDHN Cc1ccccc1CN1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180940424 496208509 /nfs/dbraw/zinc/20/85/09/496208509.db2.gz VTDBFQDBCPVHMR-VQHVLOKHSA-N 0 3 366.461 3.200 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000177826094 496212970 /nfs/dbraw/zinc/21/29/70/496212970.db2.gz KUJQZIHKUKRGKK-SFHVURJKSA-N 0 3 367.541 3.140 20 10 FGCDHN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCN(Cc2ccccc2)CC1 ZINC000181081308 496263186 /nfs/dbraw/zinc/26/31/86/496263186.db2.gz REQWXSBTYLRDIN-CSKARUKUSA-N 0 3 366.461 3.234 20 10 FGCDHN C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178568010 496502231 /nfs/dbraw/zinc/50/22/31/496502231.db2.gz KTTNZRNWXRIPMO-CQSZACIVSA-N 0 3 362.420 3.145 20 10 FGCDHN C[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000163783040 496556893 /nfs/dbraw/zinc/55/68/93/496556893.db2.gz WDKVVIYVVRZTLW-INIZCTEOSA-N 0 3 355.482 3.070 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000184909436 496581739 /nfs/dbraw/zinc/58/17/39/496581739.db2.gz RVLNVTHGZTXLFG-MAUKXSAKSA-N 0 3 360.454 3.026 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185049002 496636486 /nfs/dbraw/zinc/63/64/86/496636486.db2.gz AFVLCIFCORSCSK-KXBFYZLASA-N 0 3 354.450 3.415 20 10 FGCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000165193838 496651222 /nfs/dbraw/zinc/65/12/22/496651222.db2.gz AJOFKDOXOGMSJT-AWEZNQCLSA-N 0 3 359.401 3.421 20 10 FGCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273391222 496792497 /nfs/dbraw/zinc/79/24/97/496792497.db2.gz KUZHPDCVWPWAOV-CABCVRRESA-N 0 3 362.495 3.329 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CCC1CC[NH2+]CC1 ZINC000236915834 497168779 /nfs/dbraw/zinc/16/87/79/497168779.db2.gz ZVOHXTDYRLIMKP-UHFFFAOYSA-N 0 3 369.303 3.283 20 10 FGCDHN COc1ccc([C@@H]2[C@@H](CNC(=O)Cc3ccc(N)cc3)CCCN2C)cc1 ZINC000237300427 497216928 /nfs/dbraw/zinc/21/69/28/497216928.db2.gz MVRSLLICLAIDFE-XMSQKQJNSA-N 0 3 367.493 3.019 20 10 FGCDHN COc1cc(O)c(CN2CCC(O)(Cc3cccc(C)c3)CC2)cc1OC ZINC000279933880 497593547 /nfs/dbraw/zinc/59/35/47/497593547.db2.gz YFYAZLWLHMDHPB-UHFFFAOYSA-N 0 3 371.477 3.287 20 10 FGCDHN COc1cc([O-])c(C[NH2+]CC2CCN(c3ccccc3)CC2)cc1OC ZINC000280473670 497765279 /nfs/dbraw/zinc/76/52/79/497765279.db2.gz CWJXAGUWCKPLJG-UHFFFAOYSA-N 0 3 356.466 3.416 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000284737248 497883919 /nfs/dbraw/zinc/88/39/19/497883919.db2.gz DVRAMZBIRZOQRZ-CBGDNZLLSA-N 0 3 368.481 3.061 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000364624794 498056138 /nfs/dbraw/zinc/05/61/38/498056138.db2.gz QZLYWXNQUXIJIK-AWEZNQCLSA-N 0 3 372.440 3.495 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000364624794 498056149 /nfs/dbraw/zinc/05/61/49/498056149.db2.gz QZLYWXNQUXIJIK-AWEZNQCLSA-N 0 3 372.440 3.495 20 10 FGCDHN CCN1CCN(c2ccc(CNCc3cn(C(C)C)nc3C)cc2F)CC1 ZINC000281510900 498176650 /nfs/dbraw/zinc/17/66/50/498176650.db2.gz XJYUQYGZAKFYEA-UHFFFAOYSA-N 0 3 373.520 3.343 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)OCO2 ZINC000281960446 498335513 /nfs/dbraw/zinc/33/55/13/498335513.db2.gz QSUVCOKOOWROCH-CQSZACIVSA-N 0 3 355.438 3.033 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)OCO2 ZINC000281960446 498335520 /nfs/dbraw/zinc/33/55/20/498335520.db2.gz QSUVCOKOOWROCH-CQSZACIVSA-N 0 3 355.438 3.033 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCC(=O)N2 ZINC000286251109 498340072 /nfs/dbraw/zinc/34/00/72/498340072.db2.gz UKFKTWQWDOHIBV-CQSZACIVSA-N 0 3 351.450 3.251 20 10 FGCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828043 498658843 /nfs/dbraw/zinc/65/88/43/498658843.db2.gz TZTNSNKGCOFWSM-YJBOKZPZSA-N 0 3 371.437 3.092 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1OC ZINC000291095796 498792388 /nfs/dbraw/zinc/79/23/88/498792388.db2.gz YXDDTKYPDYZYIF-CQSZACIVSA-N 0 3 360.429 3.165 20 10 FGCDHN COC1CCN(c2ccc(CN3CC[C@@H](C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000294966288 498865626 /nfs/dbraw/zinc/86/56/26/498865626.db2.gz LIJRHVHYYWWZKF-GOSISDBHSA-N 0 3 374.525 3.465 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c([O-])c1 ZINC000363862360 499029001 /nfs/dbraw/zinc/02/90/01/499029001.db2.gz YUCVPFREIZTXOL-ZBFHGGJFSA-N 0 3 356.470 3.276 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c([O-])c1 ZINC000363862357 499030001 /nfs/dbraw/zinc/03/00/01/499030001.db2.gz YUCVPFREIZTXOL-GDBMZVCRSA-N 0 3 356.470 3.276 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1[O-] ZINC000367221113 499163988 /nfs/dbraw/zinc/16/39/88/499163988.db2.gz CXWYKHJGJFEMSY-UHFFFAOYSA-N 0 3 355.438 3.037 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1C ZINC000367601257 499216369 /nfs/dbraw/zinc/21/63/69/499216369.db2.gz FOLWEIAUDXLOJF-UHFFFAOYSA-N 0 3 361.873 3.385 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000368330059 499285973 /nfs/dbraw/zinc/28/59/73/499285973.db2.gz FXSLXZVWJUFSJQ-AWEZNQCLSA-N 0 3 370.449 3.062 20 10 FGCDHN Cc1ccc([O-])c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000371338187 499313080 /nfs/dbraw/zinc/31/30/80/499313080.db2.gz ZEBQTAZHLLRGOK-UHFFFAOYSA-N 0 3 350.260 3.497 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373536303 499475693 /nfs/dbraw/zinc/47/56/93/499475693.db2.gz VNRIHEHATUGOKG-IBGZPJMESA-N 0 3 358.825 3.150 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373536303 499475694 /nfs/dbraw/zinc/47/56/94/499475694.db2.gz VNRIHEHATUGOKG-IBGZPJMESA-N 0 3 358.825 3.150 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(C)c3[O-])CC2)c1C ZINC000377695271 499721083 /nfs/dbraw/zinc/72/10/83/499721083.db2.gz JPUBTVZGFWKBCC-UHFFFAOYSA-N 0 3 357.454 3.219 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000471238703 501964652 /nfs/dbraw/zinc/96/46/52/501964652.db2.gz MEEQVUNOFGBYHR-UHFFFAOYSA-N 0 3 369.509 3.138 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490406607 503168598 /nfs/dbraw/zinc/16/85/98/503168598.db2.gz HJGKAJOIQAZDPE-TWOQFEAHSA-N 0 3 368.525 3.358 20 10 FGCDHN COc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1O ZINC000826216455 608570147 /nfs/dbraw/zinc/57/01/47/608570147.db2.gz ZQPOSNVJEYBRFJ-UHFFFAOYSA-N 0 3 367.453 3.239 20 10 FGCDHN COc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1O ZINC000826216455 608570149 /nfs/dbraw/zinc/57/01/49/608570149.db2.gz ZQPOSNVJEYBRFJ-UHFFFAOYSA-N 0 3 367.453 3.239 20 10 FGCDHN COc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1O ZINC000826216455 608570151 /nfs/dbraw/zinc/57/01/51/608570151.db2.gz ZQPOSNVJEYBRFJ-UHFFFAOYSA-N 0 3 367.453 3.239 20 10 FGCDHN COc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1O ZINC000826216455 608570152 /nfs/dbraw/zinc/57/01/52/608570152.db2.gz ZQPOSNVJEYBRFJ-UHFFFAOYSA-N 0 3 367.453 3.239 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)CCC(C)C)c1[O-] ZINC000124022371 700713767 /nfs/dbraw/zinc/71/37/67/700713767.db2.gz FEFPGKUOXSSGIG-INIZCTEOSA-N 0 3 360.292 3.440 20 10 FGCDHN C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000125147818 700731082 /nfs/dbraw/zinc/73/10/82/700731082.db2.gz MXCLPVXJFAGWMM-CXAGYDPISA-N 0 3 350.846 3.154 20 10 FGCDHN COc1cc(C)cc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000164462700 705329399 /nfs/dbraw/zinc/32/93/99/705329399.db2.gz PXZVKBPNEOJWLV-OAHLLOKOSA-N 0 3 350.459 3.150 20 10 FGCDHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000237474578 713592240 /nfs/dbraw/zinc/59/22/40/713592240.db2.gz COMRVAQXHVJMAQ-ZFWWWQNUSA-N 0 3 350.459 3.242 20 10 FGCDHN COc1ccc(CNCc2cc(Br)cc3c2OCC3)c(O)c1 ZINC000388527400 713987307 /nfs/dbraw/zinc/98/73/07/713987307.db2.gz JXZUNYIPRYMWNN-UHFFFAOYSA-N 0 3 364.239 3.388 20 10 FGCDHN COc1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)c([O-])c1 ZINC000388527400 713987309 /nfs/dbraw/zinc/98/73/09/713987309.db2.gz JXZUNYIPRYMWNN-UHFFFAOYSA-N 0 3 364.239 3.388 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c1O ZINC000779431954 724413251 /nfs/dbraw/zinc/41/32/51/724413251.db2.gz IKBJHPIMVWKZET-UONOGXRCSA-N 0 3 372.303 3.392 20 10 FGCDHN CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000769516937 723688568 /nfs/dbraw/zinc/68/85/68/723688568.db2.gz VQGHWTBEJRQHIH-HNNXBMFYSA-N 0 3 371.319 3.087 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCOC1 ZINC000780723210 724495591 /nfs/dbraw/zinc/49/55/91/724495591.db2.gz HEKPIJVQCZIJSN-HDMKZQKVSA-N 0 3 352.906 3.415 20 10 FGCDHN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000753731320 722910937 /nfs/dbraw/zinc/91/09/37/722910937.db2.gz NBSPJBIIZYIZEK-QFBILLFUSA-N 0 3 350.528 3.295 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000756511610 722965957 /nfs/dbraw/zinc/96/59/57/722965957.db2.gz QYXGNKUEQIEZRI-BLLLJJGKSA-N 0 3 363.454 3.414 20 10 FGCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761213040 723133968 /nfs/dbraw/zinc/13/39/68/723133968.db2.gz BNGZDTWTKUCHKZ-CYBMUJFWSA-N 0 3 355.862 3.465 20 10 FGCDHN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761213040 723133971 /nfs/dbraw/zinc/13/39/71/723133971.db2.gz BNGZDTWTKUCHKZ-CYBMUJFWSA-N 0 3 355.862 3.465 20 10 FGCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000795695835 723606008 /nfs/dbraw/zinc/60/60/08/723606008.db2.gz VYTRJMKFWSAEBL-KRWDZBQOSA-N 0 3 357.372 3.198 20 10 FGCDHN CCOc1ccc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768247243 723651665 /nfs/dbraw/zinc/65/16/65/723651665.db2.gz AJRNJPXHMHWTAU-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000768247243 723651667 /nfs/dbraw/zinc/65/16/67/723651667.db2.gz AJRNJPXHMHWTAU-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000768247243 723651669 /nfs/dbraw/zinc/65/16/69/723651669.db2.gz AJRNJPXHMHWTAU-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN C[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437971 723657535 /nfs/dbraw/zinc/65/75/35/723657535.db2.gz MAAAPXBPAZRFGJ-MRXNPFEDSA-N 0 3 364.239 3.213 20 10 FGCDHN C[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437971 723657537 /nfs/dbraw/zinc/65/75/37/723657537.db2.gz MAAAPXBPAZRFGJ-MRXNPFEDSA-N 0 3 364.239 3.213 20 10 FGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000769291355 723681528 /nfs/dbraw/zinc/68/15/28/723681528.db2.gz NYLQQBOAFGPHAN-BETUJISGSA-N 0 3 369.303 3.376 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2cc3c(C)nn(C)c3nc2Cl)c1 ZINC000775371929 723986068 /nfs/dbraw/zinc/98/60/68/723986068.db2.gz VOCOPXIMWWIBKR-JTQLQIEISA-N 0 3 360.845 3.495 20 10 FGCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000775521821 723997862 /nfs/dbraw/zinc/99/78/62/723997862.db2.gz BIUMYRKDUNEUAT-LNLFQRSKSA-N 0 3 352.906 3.464 20 10 FGCDHN CC(C)[NH+]1CCC(N2CCN(Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000775731006 724033313 /nfs/dbraw/zinc/03/33/13/724033313.db2.gz GAULXBSEJGJEJL-UHFFFAOYSA-N 0 3 351.922 3.036 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000776253596 724123819 /nfs/dbraw/zinc/12/38/19/724123819.db2.gz SPUWRTUATMDQBV-GOSISDBHSA-N 0 3 362.267 3.387 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)[C@@H](O)CO2 ZINC000800865020 724239655 /nfs/dbraw/zinc/23/96/55/724239655.db2.gz WRABIVJPRPWDEG-HOCLYGCPSA-N 0 3 357.372 3.373 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)[C@@H](O)CO2 ZINC000800865020 724239656 /nfs/dbraw/zinc/23/96/56/724239656.db2.gz WRABIVJPRPWDEG-HOCLYGCPSA-N 0 3 357.372 3.373 20 10 FGCDHN COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])[C@H]1CCCO1 ZINC000788622310 725076608 /nfs/dbraw/zinc/07/66/08/725076608.db2.gz AMWNIRNISMDBQM-BYCMXARLSA-N 0 3 358.276 3.308 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2COc3ccccc32)c1[O-] ZINC000808450784 725201815 /nfs/dbraw/zinc/20/18/15/725201815.db2.gz ACLCYFRYEBOVPI-GFCCVEGCSA-N 0 3 364.239 3.429 20 10 FGCDHN CC[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208031 725296836 /nfs/dbraw/zinc/29/68/36/725296836.db2.gz RLLLHMYNCJQEHB-MRXNPFEDSA-N 0 3 359.436 3.089 20 10 FGCDHN CSc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)N(C)C)cc1 ZINC000819341752 727369296 /nfs/dbraw/zinc/36/92/96/727369296.db2.gz LPFSWNSUPDLMKI-MRXNPFEDSA-N 0 3 360.479 3.161 20 10 FGCDHN CN(C)C(=O)NCCN(C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824081008 729318952 /nfs/dbraw/zinc/31/89/52/729318952.db2.gz RCXBSZFYACRVOQ-UHFFFAOYSA-N 0 3 360.527 3.088 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1[O-] ZINC000826911372 729418804 /nfs/dbraw/zinc/41/88/04/729418804.db2.gz YKKMTKJSAXYTOC-ARGWCVDVSA-N 0 3 360.317 3.242 20 10 FGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000834597271 729817150 /nfs/dbraw/zinc/81/71/50/729817150.db2.gz FYHVSKKXNZBBPW-HOCLYGCPSA-N 0 3 361.825 3.127 20 10 FGCDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834880684 729841904 /nfs/dbraw/zinc/84/19/04/729841904.db2.gz NQURWOPEMMMJOP-TYNCELHUSA-N 0 3 358.276 3.165 20 10 FGCDHN Cc1cc([O-])c(C[NH+]2CCC(CCN3CCOCC3)CC2)c(Cl)c1 ZINC000840913258 730190623 /nfs/dbraw/zinc/19/06/23/730190623.db2.gz VHFZHNWQZSLWLU-UHFFFAOYSA-N 0 3 352.906 3.288 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)OCC2CC2)c1[O-] ZINC000840960772 730198103 /nfs/dbraw/zinc/19/81/03/730198103.db2.gz UQFALZCOBXAGMM-UHFFFAOYSA-N 0 3 358.276 3.458 20 10 FGCDHN CCCN(Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccccc1O ZINC000844301646 730700127 /nfs/dbraw/zinc/70/01/27/730700127.db2.gz VEVOITGTXSJXGD-UHFFFAOYSA-N 0 3 368.886 3.105 20 10 FGCDHN CN1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccccc1 ZINC000845082258 730808359 /nfs/dbraw/zinc/80/83/59/730808359.db2.gz VZRSBDNHCNTRAL-AEFFLSMTSA-N 0 3 359.857 3.290 20 10 FGCDHN CN1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccccc1 ZINC000845082260 730808372 /nfs/dbraw/zinc/80/83/72/730808372.db2.gz VZRSBDNHCNTRAL-SJLPKXTDSA-N 0 3 359.857 3.290 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCCC2)c1[O-] ZINC000848519766 731174597 /nfs/dbraw/zinc/17/45/97/731174597.db2.gz UILQVCXHZIHLTC-LBPRGKRZSA-N 0 3 357.292 3.300 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000848527937 731175710 /nfs/dbraw/zinc/17/57/10/731175710.db2.gz AHZMIOYXWLPRLN-NTZNESFSSA-N 0 3 357.292 3.297 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1[O-] ZINC000848532256 731176442 /nfs/dbraw/zinc/17/64/42/731176442.db2.gz BJMPDIOBSUBKDS-GHMZBOCLSA-N 0 3 354.248 3.099 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1[O-] ZINC000848534144 731176622 /nfs/dbraw/zinc/17/66/22/731176622.db2.gz YAPUYQKTHRQPMY-DGCLKSJQSA-N 0 3 374.275 3.010 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000848551320 731180114 /nfs/dbraw/zinc/18/01/14/731180114.db2.gz JPKAYTQVFHVRCO-MWLCHTKSSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000848565773 731182684 /nfs/dbraw/zinc/18/26/84/731182684.db2.gz LWIGTJFGXWONFC-JTQLQIEISA-N 0 3 374.275 3.231 20 10 FGCDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000850545576 731371682 /nfs/dbraw/zinc/37/16/82/731371682.db2.gz HILXZNLYJOWLTQ-MORSLUCNSA-N 0 3 350.890 3.131 20 10 FGCDHN CN(C)c1cc(F)c(CNCCc2csc(N3CCCC3)n2)cc1F ZINC000858140892 732184931 /nfs/dbraw/zinc/18/49/31/732184931.db2.gz KRDCTGDVKJERPM-UHFFFAOYSA-N 0 3 366.481 3.420 20 10 FGCDHN COc1cc(C)cc(CN[C@@H](CO)c2ccc(Br)cc2)c1O ZINC000894368475 742273905 /nfs/dbraw/zinc/27/39/05/742273905.db2.gz QYSRTLWRJGAMAR-HNNXBMFYSA-N 0 3 366.255 3.295 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000898099769 742744719 /nfs/dbraw/zinc/74/47/19/742744719.db2.gz CKNMYMYYUUBBDK-YEORSEQZSA-N 0 3 370.877 3.447 20 10 FGCDHN COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779022750 724381859 /nfs/dbraw/zinc/38/18/59/724381859.db2.gz YRPJEIFQSLWTMD-YPMHNXCESA-N 0 3 371.275 3.345 20 10 FGCDHN COC(=O)c1ccc(CN(C)C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000072801466 494253398 /nfs/dbraw/zinc/25/33/98/494253398.db2.gz JQDVUJVVVYYNLT-UHFFFAOYSA-N 0 3 358.438 3.176 20 10 FGCDHN COc1ccc(N2CCC(NCC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000126283814 494696276 /nfs/dbraw/zinc/69/62/76/494696276.db2.gz KCGHBDCNBGLCRJ-UHFFFAOYSA-N 0 3 357.429 3.031 20 10 FGCDHN Cc1nc(CN2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)oc1C ZINC000103134112 495197390 /nfs/dbraw/zinc/19/73/90/495197390.db2.gz SUBMNLWFFBRUCJ-UHFFFAOYSA-N 0 3 351.450 3.468 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120926980 495486722 /nfs/dbraw/zinc/48/67/22/495486722.db2.gz JXTCOPPFINQGIW-UHFFFAOYSA-N 0 3 352.438 3.213 20 10 FGCDHN C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185367439 495551048 /nfs/dbraw/zinc/55/10/48/495551048.db2.gz AEYRVGRWPIPREO-CYBMUJFWSA-N 0 3 360.329 3.377 20 10 FGCDHN CCc1cc(N2CCC([NH2+][C@@H](C)c3cc(OC)ccc3[O-])CC2)ncn1 ZINC000185642644 495658804 /nfs/dbraw/zinc/65/88/04/495658804.db2.gz IEUOKTLVLCRFEC-AWEZNQCLSA-N 0 3 356.470 3.073 20 10 FGCDHN O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179941345 495792303 /nfs/dbraw/zinc/79/23/03/495792303.db2.gz CREUDMYSSDRQFB-UHFFFAOYSA-N 0 3 363.820 3.430 20 10 FGCDHN C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000179986158 495811394 /nfs/dbraw/zinc/81/13/94/495811394.db2.gz QMMQVUJVCZGCBI-PXNSSMCTSA-N 0 3 360.498 3.250 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000186020597 495823339 /nfs/dbraw/zinc/82/33/39/495823339.db2.gz SXMWEPXUHYBYKL-OAHLLOKOSA-N 0 3 354.450 3.374 20 10 FGCDHN COc1cc([O-])c(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1OC ZINC000180243296 495922121 /nfs/dbraw/zinc/92/21/21/495922121.db2.gz PIFQBWOKUKXONW-SFHVURJKSA-N 0 3 357.450 3.281 20 10 FGCDHN COc1cc([O-])c(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1OC ZINC000180243296 495922123 /nfs/dbraw/zinc/92/21/23/495922123.db2.gz PIFQBWOKUKXONW-SFHVURJKSA-N 0 3 357.450 3.281 20 10 FGCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000183477123 496002424 /nfs/dbraw/zinc/00/24/24/496002424.db2.gz DQISPHYXLHVDQV-OAHLLOKOSA-N 0 3 354.450 3.055 20 10 FGCDHN COc1ccc(N2CCCN(C(=O)c3cccc(CN(C)C)c3)CC2)cc1 ZINC000155875175 496094297 /nfs/dbraw/zinc/09/42/97/496094297.db2.gz YNEUTJIVQVLTSF-UHFFFAOYSA-N 0 3 367.493 3.109 20 10 FGCDHN CN1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC000181120504 496278216 /nfs/dbraw/zinc/27/82/16/496278216.db2.gz AOYXSHIQNKHFIF-APNNGBSVSA-N 0 3 372.490 3.372 20 10 FGCDHN C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187737305 496551244 /nfs/dbraw/zinc/55/12/44/496551244.db2.gz VSBXXQXKLKODFP-OAHLLOKOSA-N 0 3 367.484 3.271 20 10 FGCDHN CC[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000163804552 496559590 /nfs/dbraw/zinc/55/95/90/496559590.db2.gz NJSQDPVVTUPXHN-OAQYLSRUSA-N 0 3 369.509 3.461 20 10 FGCDHN CC[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000158483783 496711158 /nfs/dbraw/zinc/71/11/58/496711158.db2.gz OPEIWXUXGBHPMS-NRFANRHFSA-N 0 3 367.541 3.140 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000185260502 496720048 /nfs/dbraw/zinc/72/00/48/496720048.db2.gz DRFFXHWSAKMJIT-OXJNMPFZSA-N 0 3 368.477 3.285 20 10 FGCDHN C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000268783402 496784217 /nfs/dbraw/zinc/78/42/17/496784217.db2.gz YYASWFNPECDRKT-QGZVFWFLSA-N 0 3 367.493 3.076 20 10 FGCDHN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273391224 496792614 /nfs/dbraw/zinc/79/26/14/496792614.db2.gz KUZHPDCVWPWAOV-GJZGRUSLSA-N 0 3 362.495 3.329 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000268923985 496824059 /nfs/dbraw/zinc/82/40/59/496824059.db2.gz VPWYNTZVOWWZRD-BTYIYWSLSA-N 0 3 364.493 3.242 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c([O-])c1C ZINC000273531905 496832703 /nfs/dbraw/zinc/83/27/03/496832703.db2.gz WJOJMIWVAZHXHM-MRXNPFEDSA-N 0 3 368.543 3.110 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270209511 497078115 /nfs/dbraw/zinc/07/81/15/497078115.db2.gz ZXFKBWNJOYAKRX-UYAOXDASSA-N 0 3 366.465 3.459 20 10 FGCDHN COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000278430989 497112290 /nfs/dbraw/zinc/11/22/90/497112290.db2.gz UWQVSBCALNSACF-BBTUJRGHSA-N 0 3 373.493 3.368 20 10 FGCDHN COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000278430989 497112294 /nfs/dbraw/zinc/11/22/94/497112294.db2.gz UWQVSBCALNSACF-BBTUJRGHSA-N 0 3 373.493 3.368 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1[O-] ZINC000274912359 497197384 /nfs/dbraw/zinc/19/73/84/497197384.db2.gz NNUUJAGPIBMIBX-LJQANCHMSA-N 0 3 354.450 3.106 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000274969418 497207549 /nfs/dbraw/zinc/20/75/49/497207549.db2.gz VYUODVISMOEYCE-UHFFFAOYSA-N 0 3 356.470 3.098 20 10 FGCDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000237528309 497251343 /nfs/dbraw/zinc/25/13/43/497251343.db2.gz KQXSMSHHRIYFJH-UWJYYQICSA-N 0 3 351.494 3.323 20 10 FGCDHN Cc1cc(NC(=O)Cc2ccc(N)cc2)ccc1OCCN1CCCC1 ZINC000237713984 497280137 /nfs/dbraw/zinc/28/01/37/497280137.db2.gz FQABEWSZFZLLBH-UHFFFAOYSA-N 0 3 353.466 3.233 20 10 FGCDHN COc1ccccc1COC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000271233528 497298776 /nfs/dbraw/zinc/29/87/76/497298776.db2.gz VLEPJFMICNDCSB-UHFFFAOYSA-N 0 3 371.433 3.311 20 10 FGCDHN C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(Br)cc1[O-] ZINC000279007604 497300719 /nfs/dbraw/zinc/30/07/19/497300719.db2.gz SKNNDMZQQGQPQB-RYUDHWBXSA-N 0 3 350.260 3.264 20 10 FGCDHN CC(C)(C)OC1CC(NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000272301649 497590848 /nfs/dbraw/zinc/59/08/48/497590848.db2.gz PSYDTUMLNKXPOK-UHFFFAOYSA-N 0 3 350.478 3.223 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(C)cc1[O-] ZINC000279957396 497601726 /nfs/dbraw/zinc/60/17/26/497601726.db2.gz CDNSYXGTXBSBMS-HXUWFJFHSA-N 0 3 368.477 3.414 20 10 FGCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(C)cc1[O-] ZINC000280136319 497660634 /nfs/dbraw/zinc/66/06/34/497660634.db2.gz PIYONTSFFABXOL-KBXCAEBGSA-N 0 3 362.495 3.411 20 10 FGCDHN CCCOc1ccc(C[N@H+]2C[C@@H](c3cnn(C(C)C)c3)[C@H](CO)C2)c([O-])c1 ZINC000284544781 497823444 /nfs/dbraw/zinc/82/34/44/497823444.db2.gz HKFBEJXWLNJYEK-ICSRJNTNSA-N 0 3 373.497 3.166 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2C[C@@H](c3cnn(C(C)C)c3)[C@H](CO)C2)c([O-])c1 ZINC000284544781 497823451 /nfs/dbraw/zinc/82/34/51/497823451.db2.gz HKFBEJXWLNJYEK-ICSRJNTNSA-N 0 3 373.497 3.166 20 10 FGCDHN COc1cc(O)c(CN2CC[C@@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701884 498100396 /nfs/dbraw/zinc/10/03/96/498100396.db2.gz DPTHBNACJAOCSC-MRXNPFEDSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701884 498100402 /nfs/dbraw/zinc/10/04/02/498100402.db2.gz DPTHBNACJAOCSC-MRXNPFEDSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701884 498100411 /nfs/dbraw/zinc/10/04/11/498100411.db2.gz DPTHBNACJAOCSC-MRXNPFEDSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1ccc(O)c(CN2CCC[C@@H](C(=O)Nc3nc(C)cs3)C2)c1 ZINC000360792118 498311502 /nfs/dbraw/zinc/31/15/02/498311502.db2.gz JWCLOXTZWFQXFG-CYBMUJFWSA-N 0 3 361.467 3.016 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c([O-])c1 ZINC000293637151 498436885 /nfs/dbraw/zinc/43/68/85/498436885.db2.gz HWBGXOISNBRUPQ-KRWDZBQOSA-N 0 3 354.498 3.007 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000293714567 498464968 /nfs/dbraw/zinc/46/49/68/498464968.db2.gz UZKUXMKHUIWQNG-INIZCTEOSA-N 0 3 364.848 3.041 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000290252714 498483664 /nfs/dbraw/zinc/48/36/64/498483664.db2.gz VVGWXOSANNBCIS-UHFFFAOYSA-N 0 3 352.784 3.171 20 10 FGCDHN CCOc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1O ZINC000297739304 498554427 /nfs/dbraw/zinc/55/44/27/498554427.db2.gz KJXLGITYIKUXOU-UHFFFAOYSA-N 0 3 356.466 3.260 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCc2nccnc2C)c1[O-] ZINC000294965768 498865358 /nfs/dbraw/zinc/86/53/58/498865358.db2.gz JNRHWKLFSLOUHV-NSHDSACASA-N 0 3 350.260 3.455 20 10 FGCDHN CCOc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c1O ZINC000283827755 498994985 /nfs/dbraw/zinc/99/49/85/498994985.db2.gz DWSQDXPGLDJAGM-AWEZNQCLSA-N 0 3 363.479 3.435 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1OC ZINC000291614326 499012281 /nfs/dbraw/zinc/01/22/81/499012281.db2.gz RGURRMBXMJQMCB-KRWDZBQOSA-N 0 3 354.450 3.046 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1OC ZINC000291614326 499012288 /nfs/dbraw/zinc/01/22/88/499012288.db2.gz RGURRMBXMJQMCB-KRWDZBQOSA-N 0 3 354.450 3.046 20 10 FGCDHN COc1ccc(O)c(CNc2cccc3c2CCN(CC(C)(C)O)C3)c1 ZINC000363854613 499027188 /nfs/dbraw/zinc/02/71/88/499027188.db2.gz GAZJQCCJXNKJDA-UHFFFAOYSA-N 0 3 356.466 3.142 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000364057795 499103293 /nfs/dbraw/zinc/10/32/93/499103293.db2.gz QVAJZCMDAAXUFU-DLBZAZTESA-N 0 3 370.287 3.458 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000372597138 499151571 /nfs/dbraw/zinc/15/15/71/499151571.db2.gz XGAJVIUFCCDRBM-RDTXWAMCSA-N 0 3 358.482 3.185 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c1 ZINC000372602072 499152497 /nfs/dbraw/zinc/15/24/97/499152497.db2.gz VLHYRFFAGAAFOC-CQSZACIVSA-N 0 3 355.438 3.208 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710238 499164648 /nfs/dbraw/zinc/16/46/48/499164648.db2.gz CEEPYWSDEGQNMX-QGZVFWFLSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710238 499164650 /nfs/dbraw/zinc/16/46/50/499164650.db2.gz CEEPYWSDEGQNMX-QGZVFWFLSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710238 499164652 /nfs/dbraw/zinc/16/46/52/499164652.db2.gz CEEPYWSDEGQNMX-QGZVFWFLSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@@](CO)(C(C)C)C2)c1O ZINC000367956554 499249397 /nfs/dbraw/zinc/24/93/97/499249397.db2.gz CDKMZHWAHQTBAL-MRXNPFEDSA-N 0 3 358.276 3.004 20 10 FGCDHN Cc1c[nH]nc1CNC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000368082610 499262405 /nfs/dbraw/zinc/26/24/05/499262405.db2.gz XOFIMIKWBWEWNU-UHFFFAOYSA-N 0 3 354.376 3.375 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2ccccc2c1[O-] ZINC000368325404 499285513 /nfs/dbraw/zinc/28/55/13/499285513.db2.gz ADVZACAYDHLHRP-FUHWJXTLSA-N 0 3 353.510 3.365 20 10 FGCDHN Cc1ccccc1C1(O)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000371331574 499311196 /nfs/dbraw/zinc/31/11/96/499311196.db2.gz JAXDKUJGFLXESX-UHFFFAOYSA-N 0 3 366.505 3.315 20 10 FGCDHN CCOc1cccc(CN2CCC[C@H](C(=O)Nc3nccs3)C2)c1O ZINC000371396796 499320654 /nfs/dbraw/zinc/32/06/54/499320654.db2.gz UKPBJAIYSDQWLX-AWEZNQCLSA-N 0 3 361.467 3.098 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)CCN2C)c1ccc(N2CCC(O)CC2)cc1 ZINC000368726070 499325550 /nfs/dbraw/zinc/32/55/50/499325550.db2.gz CRYRXKZRARSCEB-QGZVFWFLSA-N 0 3 365.521 3.491 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCOc3ccccc3C2)c([O-])c1 ZINC000371870792 499373996 /nfs/dbraw/zinc/37/39/96/499373996.db2.gz UAXLIWWBOITLRQ-INIZCTEOSA-N 0 3 354.450 3.163 20 10 FGCDHN Cc1nc(CNCc2cc(Br)ccc2O)c2n1CCCC2 ZINC000373135784 499453140 /nfs/dbraw/zinc/45/31/40/499453140.db2.gz AJCKTINKBJTFNH-UHFFFAOYSA-N 0 3 350.260 3.286 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1C ZINC000373255276 499460087 /nfs/dbraw/zinc/46/00/87/499460087.db2.gz JJUKTTCZETVKIQ-HOTGVXAUSA-N 0 3 353.466 3.037 20 10 FGCDHN COc1cc(OC)cc(C2(O)CC[NH+](Cc3cccc(C)c3[O-])CC2)c1 ZINC000378445752 499517542 /nfs/dbraw/zinc/51/75/42/499517542.db2.gz WEGUQGGVFCRFGZ-UHFFFAOYSA-N 0 3 357.450 3.201 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000377757152 499729337 /nfs/dbraw/zinc/72/93/37/499729337.db2.gz UHUOUBKDTVZDTL-AAEUAGOBSA-N 0 3 350.260 3.476 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1[O-] ZINC000377757152 499729338 /nfs/dbraw/zinc/72/93/38/499729338.db2.gz UHUOUBKDTVZDTL-AAEUAGOBSA-N 0 3 350.260 3.476 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCc4ccccc4O3)C1)[C@H](O)CO2 ZINC000530102851 503838101 /nfs/dbraw/zinc/83/81/01/503838101.db2.gz BIOLUVBMFNQIMK-KNQAVFIVSA-N 0 3 367.445 3.178 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CCc4ccccc4O3)C1)[C@H](O)CO2 ZINC000530102851 503838108 /nfs/dbraw/zinc/83/81/08/503838108.db2.gz BIOLUVBMFNQIMK-KNQAVFIVSA-N 0 3 367.445 3.178 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C2CCCC2)c1[O-] ZINC000527804747 503952048 /nfs/dbraw/zinc/95/20/48/503952048.db2.gz AYHWSZHNZUXVIY-OAHLLOKOSA-N 0 3 369.303 3.270 20 10 FGCDHN O=C(NCc1cc(Cl)ccc1[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528147324 504091351 /nfs/dbraw/zinc/09/13/51/504091351.db2.gz LBNFCYPQRRUBIU-INIZCTEOSA-N 0 3 351.878 3.252 20 10 FGCDHN O=C(NCc1cc(Cl)ccc1[O-])NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528147324 504091356 /nfs/dbraw/zinc/09/13/56/504091356.db2.gz LBNFCYPQRRUBIU-INIZCTEOSA-N 0 3 351.878 3.252 20 10 FGCDHN CC[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000825142995 608281773 /nfs/dbraw/zinc/28/17/73/608281773.db2.gz UPLIQAGLCAFHMN-LJQANCHMSA-N 0 3 366.469 3.052 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)Cc2ccccc2)c1[O-] ZINC000119539299 700632056 /nfs/dbraw/zinc/63/20/56/700632056.db2.gz WAZSJEWZMTXCCJ-INIZCTEOSA-N 0 3 350.256 3.156 20 10 FGCDHN CCOc1ccc(O)c(CNCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000171128980 705375226 /nfs/dbraw/zinc/37/52/26/705375226.db2.gz BKZOHRGGYYRRPU-UHFFFAOYSA-N 0 3 369.870 3.008 20 10 FGCDHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccsc1 ZINC000180652753 705751560 /nfs/dbraw/zinc/75/15/60/705751560.db2.gz JVOQCSFEQZCADD-IQIBNGDESA-N 0 3 360.479 3.372 20 10 FGCDHN CC1CCN(c2ccc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000182909873 705868349 /nfs/dbraw/zinc/86/83/49/705868349.db2.gz HVDUHVQEGTUNAY-PMACEKPBSA-N 0 3 364.555 3.368 20 10 FGCDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCCCSc2nccs2)cc1 ZINC000185490110 712695525 /nfs/dbraw/zinc/69/55/25/712695525.db2.gz QBNAXWBKCVKLNE-AWEZNQCLSA-N 0 3 370.565 3.386 20 10 FGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186164725 712711122 /nfs/dbraw/zinc/71/11/22/712711122.db2.gz ZVBSVWCQVSGWAV-DZGCQCFKSA-N 0 3 351.443 3.434 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000781909799 724611194 /nfs/dbraw/zinc/61/11/94/724611194.db2.gz QUSXGYDDSZZBLL-BBRMVZONSA-N 0 3 353.304 3.379 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000781909799 724611195 /nfs/dbraw/zinc/61/11/95/724611195.db2.gz QUSXGYDDSZZBLL-BBRMVZONSA-N 0 3 353.304 3.379 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCOc1ccc(Br)cc1 ZINC000729682917 722461624 /nfs/dbraw/zinc/46/16/24/722461624.db2.gz IGCGJEQFQPZYNX-UHFFFAOYSA-N 0 3 352.228 3.332 20 10 FGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000731843416 722478449 /nfs/dbraw/zinc/47/84/49/722478449.db2.gz DIDSZTSDDMUHMZ-HNNXBMFYSA-N 0 3 355.356 3.283 20 10 FGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000731843416 722478450 /nfs/dbraw/zinc/47/84/50/722478450.db2.gz DIDSZTSDDMUHMZ-HNNXBMFYSA-N 0 3 355.356 3.283 20 10 FGCDHN O[C@H]([C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000734844125 722510458 /nfs/dbraw/zinc/51/04/58/722510458.db2.gz VEXDIHCNWCPDQQ-SJLPKXTDSA-N 0 3 351.368 3.246 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2[O-] ZINC000756759882 722969663 /nfs/dbraw/zinc/96/96/63/722969663.db2.gz NIJFTNUOJXSOCD-JLLWLGSASA-N 0 3 360.351 3.223 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000763425614 723342257 /nfs/dbraw/zinc/34/22/57/723342257.db2.gz SOEOIZVLIQGYAC-CYBMUJFWSA-N 0 3 368.246 3.235 20 10 FGCDHN C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439464 723657478 /nfs/dbraw/zinc/65/74/78/723657478.db2.gz MDRJRSFSCAEEPR-MRXNPFEDSA-N 0 3 353.340 3.469 20 10 FGCDHN C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439464 723657479 /nfs/dbraw/zinc/65/74/79/723657479.db2.gz MDRJRSFSCAEEPR-MRXNPFEDSA-N 0 3 353.340 3.469 20 10 FGCDHN CC(C)[NH+]1CCC(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000769537652 723689233 /nfs/dbraw/zinc/68/92/33/723689233.db2.gz OAUCCXYYIODSFP-UHFFFAOYSA-N 0 3 351.922 3.036 20 10 FGCDHN C[C@H](NCCC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000772958420 723773275 /nfs/dbraw/zinc/77/32/75/723773275.db2.gz KEJKCGLOFMQCMD-AWEZNQCLSA-N 0 3 367.921 3.132 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])s1 ZINC000797139878 723785933 /nfs/dbraw/zinc/78/59/33/723785933.db2.gz JWXYSMZZZXXDOW-OUAUKWLOSA-N 0 3 366.462 3.259 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](CO)CC2CCCC2)c1[O-] ZINC000798504234 723938682 /nfs/dbraw/zinc/93/86/82/723938682.db2.gz YNKZVCINCCZQIP-CYBMUJFWSA-N 0 3 372.303 3.442 20 10 FGCDHN COc1ccc(O)c(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)c1 ZINC000776175827 724116051 /nfs/dbraw/zinc/11/60/51/724116051.db2.gz UHNLCMVPHCMOFB-QGZVFWFLSA-N 0 3 355.356 3.417 20 10 FGCDHN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CCN(C)C)cc2Cl)C1 ZINC000800720600 724224153 /nfs/dbraw/zinc/22/41/53/724224153.db2.gz VCPMYABBZXWYLC-HNNXBMFYSA-N 0 3 366.937 3.279 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c1[O-] ZINC000785986847 724953492 /nfs/dbraw/zinc/95/34/92/724953492.db2.gz ZGPOLHZQTDJAJV-INIZCTEOSA-N 0 3 366.889 3.468 20 10 FGCDHN Fc1cc(CN[C@@H]2CCc3nc(Cl)ccc32)ccc1N1CCOCC1 ZINC000806131606 725117018 /nfs/dbraw/zinc/11/70/18/725117018.db2.gz MYMHPDCITGMTKB-MRXNPFEDSA-N 0 3 361.848 3.488 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1[O-] ZINC000808673391 725212909 /nfs/dbraw/zinc/21/29/09/725212909.db2.gz CFVMNGYTZAYXNY-CQSZACIVSA-N 0 3 361.873 3.436 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216932 725297666 /nfs/dbraw/zinc/29/76/66/725297666.db2.gz STPVGMCCNYEDKE-CZUORRHYSA-N 0 3 359.436 3.088 20 10 FGCDHN CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815559403 727083914 /nfs/dbraw/zinc/08/39/14/727083914.db2.gz FZCJGGLNMSKOSR-UONOGXRCSA-N 0 3 359.436 3.088 20 10 FGCDHN COc1cc(Br)cc(CN(C)[C@@H](CO)c2ccccc2)c1O ZINC000824695794 729355614 /nfs/dbraw/zinc/35/56/14/729355614.db2.gz DIPBZPXNTPORKI-HNNXBMFYSA-N 0 3 366.255 3.329 20 10 FGCDHN COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)s1 ZINC000827942901 729437573 /nfs/dbraw/zinc/43/75/73/729437573.db2.gz UHXHAZZRZOZRNV-LLVKDONJSA-N 0 3 350.415 3.154 20 10 FGCDHN COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)s1 ZINC000827942901 729437574 /nfs/dbraw/zinc/43/75/74/729437574.db2.gz UHXHAZZRZOZRNV-LLVKDONJSA-N 0 3 350.415 3.154 20 10 FGCDHN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)c1 ZINC000828667183 729446411 /nfs/dbraw/zinc/44/64/11/729446411.db2.gz NTXAJGLNAGCISW-NHYWBVRUSA-N 0 3 363.845 3.025 20 10 FGCDHN O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834799134 729835075 /nfs/dbraw/zinc/83/50/75/729835075.db2.gz WJRVROFNRDOMRU-KGLIPLIRSA-N 0 3 356.388 3.303 20 10 FGCDHN COCCOC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000834856797 729839193 /nfs/dbraw/zinc/83/91/93/729839193.db2.gz USKWLEWXTZSUIP-CQSZACIVSA-N 0 3 357.878 3.217 20 10 FGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N(C)C)cc1C ZINC000840935709 730193936 /nfs/dbraw/zinc/19/39/36/730193936.db2.gz AYMDHAOPYJOIDH-SFHVURJKSA-N 0 3 360.523 3.403 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1c(Br)cnn1C ZINC000840977626 730200147 /nfs/dbraw/zinc/20/01/47/730200147.db2.gz WNRBUBBSEXIJPZ-ZDUSSCGKSA-N 0 3 365.319 3.278 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1[O-] ZINC000841889813 730283214 /nfs/dbraw/zinc/28/32/14/730283214.db2.gz HOOBKOGCBRAOAN-UHFFFAOYSA-N 0 3 372.303 3.120 20 10 FGCDHN CCN(CC)c1ccc(CN2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cc1 ZINC000843432015 730620573 /nfs/dbraw/zinc/62/05/73/730620573.db2.gz HQVTZVUMJNGARC-QGZVFWFLSA-N 0 3 357.420 3.033 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)c1[O-] ZINC000848530579 731176295 /nfs/dbraw/zinc/17/62/95/731176295.db2.gz BOKJMENFVABZJF-VXGBXAGGSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1[O-] ZINC000848532340 731176302 /nfs/dbraw/zinc/17/63/02/731176302.db2.gz FWBLPAWPUDSHSP-ZETOZRRWSA-N 0 3 369.303 3.297 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1[O-] ZINC000848532507 731176309 /nfs/dbraw/zinc/17/63/09/731176309.db2.gz ISFAISSOKCFDIL-MDZLAQPJSA-N 0 3 369.303 3.439 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CCO)CCC2)c1[O-] ZINC000848535902 731177539 /nfs/dbraw/zinc/17/75/39/731177539.db2.gz LUQGXPBSRVQOJL-LLVKDONJSA-N 0 3 358.276 3.367 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000858548311 732226228 /nfs/dbraw/zinc/22/62/28/732226228.db2.gz ULMGLCKAZCSPDJ-WFBYXXMGSA-N 0 3 356.260 3.381 20 10 FGCDHN COC(=O)c1cnc(C2CCN(Cc3cccc(OC)c3O)CC2)s1 ZINC000862474707 732839249 /nfs/dbraw/zinc/83/92/49/732839249.db2.gz YSQOOONQFJIFKM-UHFFFAOYSA-N 0 3 362.451 3.024 20 10 FGCDHN CN(C)c1ccc(CNCc2ccnc(N3CCSCC3)c2)cc1F ZINC000865720685 733259174 /nfs/dbraw/zinc/25/91/74/733259174.db2.gz GNOHVSSDKTUIHY-UHFFFAOYSA-N 0 3 360.502 3.130 20 10 FGCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccc(Cl)nn3)C2)cc1 ZINC000877071490 736183692 /nfs/dbraw/zinc/18/36/92/736183692.db2.gz PHIVRRCOEHOQOG-CYBMUJFWSA-N 0 3 368.815 3.490 20 10 FGCDHN COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1Cl ZINC000879651516 737023772 /nfs/dbraw/zinc/02/37/72/737023772.db2.gz ZDMMVNZUUJWARD-NSHDSACASA-N 0 3 364.829 3.352 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@H]2CCCO2)c1[O-] ZINC000886669644 739280601 /nfs/dbraw/zinc/28/06/01/739280601.db2.gz BODBWKGVSPJKCO-IACUBPJLSA-N 0 3 358.276 3.044 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)ccc2Cl)N(C)C)cc1 ZINC000891249014 739886489 /nfs/dbraw/zinc/88/64/89/739886489.db2.gz OXYRJQDVADBTBC-GOSISDBHSA-N 0 3 361.873 3.144 20 10 FGCDHN COc1ccc(CN(C)[C@H](CO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894696038 742319911 /nfs/dbraw/zinc/31/99/11/742319911.db2.gz VNHJWSLFYDTVQD-OAHLLOKOSA-N 0 3 351.830 3.228 20 10 FGCDHN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)n1 ZINC000897043437 742635398 /nfs/dbraw/zinc/63/53/98/742635398.db2.gz LKMJOFQDDYWHSL-GWCFXTLKSA-N 0 3 351.834 3.426 20 10 FGCDHN CSCc1cnc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449636 742795742 /nfs/dbraw/zinc/79/57/42/742795742.db2.gz INTSHEVZVASRKV-QGZVFWFLSA-N 0 3 364.584 3.465 20 10 FGCDHN C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(Br)cc1[O-] ZINC000903197824 743821434 /nfs/dbraw/zinc/82/14/34/743821434.db2.gz AHAZHPMTUFLGEH-LLVKDONJSA-N 0 3 350.260 3.467 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)c1[O-] ZINC000903391394 743843878 /nfs/dbraw/zinc/84/38/78/743843878.db2.gz XOSMMPGPJLPSLB-IUODEOHRSA-N 0 3 370.287 3.452 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1[O-] ZINC000779035814 724383042 /nfs/dbraw/zinc/38/30/42/724383042.db2.gz IZLVXDZZKLNGHT-SQWGHXPGSA-N 0 3 367.287 3.123 20 10 FGCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000069713969 494000628 /nfs/dbraw/zinc/00/06/28/494000628.db2.gz DQUMGTASJRCVBN-MRXNPFEDSA-N 0 3 367.493 3.261 20 10 FGCDHN CCOc1cccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1[O-] ZINC000092645234 494694131 /nfs/dbraw/zinc/69/41/31/494694131.db2.gz LFYFYHIUSDMCLE-UHFFFAOYSA-N 0 3 369.509 3.325 20 10 FGCDHN CCOc1cccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1[O-] ZINC000092645234 494694140 /nfs/dbraw/zinc/69/41/40/494694140.db2.gz LFYFYHIUSDMCLE-UHFFFAOYSA-N 0 3 369.509 3.325 20 10 FGCDHN COc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1[O-] ZINC000092965444 494797330 /nfs/dbraw/zinc/79/73/30/494797330.db2.gz DZBXLZYAHVLDKG-UHFFFAOYSA-N 0 3 358.413 3.391 20 10 FGCDHN C[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124806626 495346910 /nfs/dbraw/zinc/34/69/10/495346910.db2.gz AKVAKVJXCWDEHL-XOBRGWDASA-N 0 3 362.420 3.186 20 10 FGCDHN C[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000130429453 495391438 /nfs/dbraw/zinc/39/14/38/495391438.db2.gz ROBMPKSXIYTVNR-VLIAUNLRSA-N 0 3 362.420 3.186 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121048767 495511559 /nfs/dbraw/zinc/51/15/59/495511559.db2.gz PVHJNCDFPQKHIL-UHFFFAOYSA-N 0 3 360.498 3.406 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121048767 495511564 /nfs/dbraw/zinc/51/15/64/495511564.db2.gz PVHJNCDFPQKHIL-UHFFFAOYSA-N 0 3 360.498 3.406 20 10 FGCDHN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000179616697 495661204 /nfs/dbraw/zinc/66/12/04/495661204.db2.gz MSWWZDRLQYPRCK-UHFFFAOYSA-N 0 3 356.466 3.172 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1 ZINC000186032251 495828658 /nfs/dbraw/zinc/82/86/58/495828658.db2.gz FXLQZCDKCLOELQ-OAHLLOKOSA-N 0 3 360.479 3.091 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190790 495890914 /nfs/dbraw/zinc/89/09/14/495890914.db2.gz ASSASIBSGQDZBR-WBVHZDCISA-N 0 3 354.450 3.100 20 10 FGCDHN Oc1cc2c(cc1CN1CCC(n3ccc(C(F)(F)F)n3)CC1)OCO2 ZINC000180274694 495932475 /nfs/dbraw/zinc/93/24/75/495932475.db2.gz PHVPZHSFYQRGBB-UHFFFAOYSA-N 0 3 369.343 3.173 20 10 FGCDHN CC[C@@H](C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N(C)C ZINC000163775401 496556860 /nfs/dbraw/zinc/55/68/60/496556860.db2.gz WHGXEALGHKZICH-INIZCTEOSA-N 0 3 373.419 3.010 20 10 FGCDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000181965782 496615142 /nfs/dbraw/zinc/61/51/42/496615142.db2.gz UNJILGFOFXUODI-HNNXBMFYSA-N 0 3 371.456 3.472 20 10 FGCDHN COc1ccc(N2CCN(CC3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1 ZINC000158417906 496697451 /nfs/dbraw/zinc/69/74/51/496697451.db2.gz GVWQVQSTBOZVPF-UHFFFAOYSA-N 0 3 373.541 3.102 20 10 FGCDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268757557 496775732 /nfs/dbraw/zinc/77/57/32/496775732.db2.gz MBEQCVBAJYVAGY-DLBZAZTESA-N 0 3 350.528 3.152 20 10 FGCDHN Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1C ZINC000273417090 496800515 /nfs/dbraw/zinc/80/05/15/496800515.db2.gz RBDRHTFDXVADIE-HNNXBMFYSA-N 0 3 362.495 3.110 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1C ZINC000273417090 496800517 /nfs/dbraw/zinc/80/05/17/496800517.db2.gz RBDRHTFDXVADIE-HNNXBMFYSA-N 0 3 362.495 3.110 20 10 FGCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273427597 496803977 /nfs/dbraw/zinc/80/39/77/496803977.db2.gz URTJWUHGIJCAFS-MRXNPFEDSA-N 0 3 356.466 3.375 20 10 FGCDHN C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273573451 496844358 /nfs/dbraw/zinc/84/43/58/496844358.db2.gz LDDGCGVQEDWFTD-CQSZACIVSA-N 0 3 359.426 3.092 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000189101774 497008798 /nfs/dbraw/zinc/00/87/98/497008798.db2.gz WJOISHOLTURTCV-KXBFYZLASA-N 0 3 354.450 3.161 20 10 FGCDHN CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000274742016 497155853 /nfs/dbraw/zinc/15/58/53/497155853.db2.gz AHXKCYLSXQUFBJ-KSSFIOAISA-N 0 3 362.495 3.444 20 10 FGCDHN C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000237560990 497256257 /nfs/dbraw/zinc/25/62/57/497256257.db2.gz KQXSMSHHRIYFJH-LAUBAEHRSA-N 0 3 351.494 3.323 20 10 FGCDHN COc1ccc(N2CCN(CCCN[C@H](C)c3cscn3)CC2)cc1 ZINC000271152043 497274499 /nfs/dbraw/zinc/27/44/99/497274499.db2.gz QOKDOKRXOWSXAW-MRXNPFEDSA-N 0 3 360.527 3.015 20 10 FGCDHN CN(C)c1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1F ZINC000271192424 497286759 /nfs/dbraw/zinc/28/67/59/497286759.db2.gz SMRQSTVMRDMIRT-UHFFFAOYSA-N 0 3 371.456 3.448 20 10 FGCDHN CCO[C@@H]1C[C@](N)(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000275478674 497339075 /nfs/dbraw/zinc/33/90/75/497339075.db2.gz JALLFEZCGPRFOB-KNQAVFIVSA-N 0 3 373.541 3.168 20 10 FGCDHN CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000280126056 497657218 /nfs/dbraw/zinc/65/72/18/497657218.db2.gz OPHANKUHJCSJDM-KSSFIOAISA-N 0 3 362.495 3.411 20 10 FGCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(C)cc1[O-] ZINC000280136325 497661030 /nfs/dbraw/zinc/66/10/30/497661030.db2.gz PIYONTSFFABXOL-RDTXWAMCSA-N 0 3 362.495 3.411 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277112458 497745395 /nfs/dbraw/zinc/74/53/95/497745395.db2.gz MRIUYYSYNDMNGD-LLVKDONJSA-N 0 3 369.870 3.309 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccc(C)cc3[O-])CC2)c1 ZINC000296329438 498000540 /nfs/dbraw/zinc/00/05/40/498000540.db2.gz HEYWTADGLVPFJD-HNNXBMFYSA-N 0 3 357.454 3.472 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000364628093 498056787 /nfs/dbraw/zinc/05/67/87/498056787.db2.gz DOCZRAYBXHKVFC-AWEZNQCLSA-N 0 3 368.433 3.477 20 10 FGCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(C)c(C)cc2O)CC1 ZINC000292696005 498112664 /nfs/dbraw/zinc/11/26/64/498112664.db2.gz BUKYHYFJOOEKGN-UHFFFAOYSA-N 0 3 373.522 3.479 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000365172423 498333916 /nfs/dbraw/zinc/33/39/16/498333916.db2.gz USKUCVMHOASFLZ-IIBYNOLFSA-N 0 3 369.465 3.290 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000365172423 498333924 /nfs/dbraw/zinc/33/39/24/498333924.db2.gz USKUCVMHOASFLZ-IIBYNOLFSA-N 0 3 369.465 3.290 20 10 FGCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000290099277 498428867 /nfs/dbraw/zinc/42/88/67/498428867.db2.gz HWFLDHDBIAADOU-VFNWGFHPSA-N 0 3 359.466 3.362 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OC ZINC000291155876 498820869 /nfs/dbraw/zinc/82/08/69/498820869.db2.gz BUQRLRUNCAQSLJ-JOCHJYFZSA-N 0 3 371.477 3.227 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OC ZINC000291155876 498820875 /nfs/dbraw/zinc/82/08/75/498820875.db2.gz BUQRLRUNCAQSLJ-JOCHJYFZSA-N 0 3 371.477 3.227 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1[O-] ZINC000366251631 498842083 /nfs/dbraw/zinc/84/20/83/498842083.db2.gz WRUSGTJKCGZYFG-LIRRHRJNSA-N 0 3 374.868 3.363 20 10 FGCDHN CN1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332264 498877985 /nfs/dbraw/zinc/87/79/85/498877985.db2.gz YWWBJEAIWLFANX-JXFKEZNVSA-N 0 3 357.885 3.274 20 10 FGCDHN COC1CCN(c2ccc(CN3CC[C@@H](n4cc(C)cn4)C3)cc2)CC1 ZINC000295275936 498963351 /nfs/dbraw/zinc/96/33/51/498963351.db2.gz ZVYNSBRRQRZQCY-HXUWFJFHSA-N 0 3 354.498 3.254 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1[O-] ZINC000363851449 499025032 /nfs/dbraw/zinc/02/50/32/499025032.db2.gz IJMSEFZDGLLBOD-SWLSCSKDSA-N 0 3 360.433 3.107 20 10 FGCDHN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000366694953 499036994 /nfs/dbraw/zinc/03/69/94/499036994.db2.gz LITWFLTZQIFXRF-VGSWGCGISA-N 0 3 351.494 3.361 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1[O-] ZINC000364028994 499091272 /nfs/dbraw/zinc/09/12/72/499091272.db2.gz ADQXBRLWLSEROC-QGZVFWFLSA-N 0 3 358.482 3.014 20 10 FGCDHN CCOc1cccc(C[NH2+][C@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1[O-] ZINC000367546039 499210725 /nfs/dbraw/zinc/21/07/25/499210725.db2.gz BJGRJUQVAVSRPP-KBXCAEBGSA-N 0 3 360.479 3.304 20 10 FGCDHN Cc1cccc(CN2CCCN(C(=O)c3cc(Cl)cn3C)CC2)c1O ZINC000367725038 499228444 /nfs/dbraw/zinc/22/84/44/499228444.db2.gz RABWIJHUCZVYKL-UHFFFAOYSA-N 0 3 361.873 3.041 20 10 FGCDHN CCc1nc(CN2CCC[C@H]([N@H+](C)[C@@H](C)c3cc(OC)ccc3[O-])C2)no1 ZINC000368030322 499257158 /nfs/dbraw/zinc/25/71/58/499257158.db2.gz MYBOKLKAWSBSDR-GJZGRUSLSA-N 0 3 374.485 3.004 20 10 FGCDHN CCc1nc(CN2CCC[C@H]([N@@H+](C)[C@@H](C)c3cc(OC)ccc3[O-])C2)no1 ZINC000368030322 499257160 /nfs/dbraw/zinc/25/71/60/499257160.db2.gz MYBOKLKAWSBSDR-GJZGRUSLSA-N 0 3 374.485 3.004 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CCN(C)C[C@H]43)ccc21 ZINC000371534242 499338909 /nfs/dbraw/zinc/33/89/09/499338909.db2.gz NDDXUCTXOBSANR-DYESRHJHSA-N 0 3 369.509 3.071 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1[O-] ZINC000369591953 499423717 /nfs/dbraw/zinc/42/37/17/499423717.db2.gz PAOIXIJPZJCNJC-DYVFJYSZSA-N 0 3 361.511 3.166 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000373600179 499479147 /nfs/dbraw/zinc/47/91/47/499479147.db2.gz BJNCEQYARPVAEP-ZDUSSCGKSA-N 0 3 360.479 3.418 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000373600179 499479148 /nfs/dbraw/zinc/47/91/48/499479148.db2.gz BJNCEQYARPVAEP-ZDUSSCGKSA-N 0 3 360.479 3.418 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000378332300 499502374 /nfs/dbraw/zinc/50/23/74/499502374.db2.gz HUKUBRDDUUIBMP-MRXNPFEDSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000378332300 499502375 /nfs/dbraw/zinc/50/23/75/499502375.db2.gz HUKUBRDDUUIBMP-MRXNPFEDSA-N 0 3 369.465 3.345 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC000375300284 499504690 /nfs/dbraw/zinc/50/46/90/499504690.db2.gz YMQYLRKAKBRKAC-NRFANRHFSA-N 0 3 352.434 3.277 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC000375300284 499504691 /nfs/dbraw/zinc/50/46/91/499504691.db2.gz YMQYLRKAKBRKAC-NRFANRHFSA-N 0 3 352.434 3.277 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975513 499573256 /nfs/dbraw/zinc/57/32/56/499573256.db2.gz MWNBQGKFSJHFJT-QGZVFWFLSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975513 499573257 /nfs/dbraw/zinc/57/32/57/499573257.db2.gz MWNBQGKFSJHFJT-QGZVFWFLSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975513 499573258 /nfs/dbraw/zinc/57/32/58/499573258.db2.gz MWNBQGKFSJHFJT-QGZVFWFLSA-N 0 3 372.513 3.447 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]4CN(C)C[C@H]43)ccc21 ZINC000425061394 500008823 /nfs/dbraw/zinc/00/88/23/500008823.db2.gz ZBEGMLPIZUQWDU-GHTZIAJQSA-N 0 3 369.509 3.071 20 10 FGCDHN CCC[N@H+](C)C[C@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458190 600717957 /nfs/dbraw/zinc/71/79/57/600717957.db2.gz KGYZKOLACRHFJV-OAHLLOKOSA-N 0 3 356.466 3.407 20 10 FGCDHN CCC[N@@H+](C)C[C@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458190 600717958 /nfs/dbraw/zinc/71/79/58/600717958.db2.gz KGYZKOLACRHFJV-OAHLLOKOSA-N 0 3 356.466 3.407 20 10 FGCDHN CCCN(C)C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458190 600717960 /nfs/dbraw/zinc/71/79/60/600717960.db2.gz KGYZKOLACRHFJV-OAHLLOKOSA-N 0 3 356.466 3.407 20 10 FGCDHN CCCN(C)C[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458190 600717961 /nfs/dbraw/zinc/71/79/61/600717961.db2.gz KGYZKOLACRHFJV-OAHLLOKOSA-N 0 3 356.466 3.407 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824619678 609138381 /nfs/dbraw/zinc/13/83/81/609138381.db2.gz YSJBRZDZHBFIGH-NSHDSACASA-N 0 3 358.396 3.062 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000093643859 700452726 /nfs/dbraw/zinc/45/27/26/700452726.db2.gz HCWBTVIFXKWHAS-RISCZKNCSA-N 0 3 357.292 3.078 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000093643859 700452729 /nfs/dbraw/zinc/45/27/29/700452729.db2.gz HCWBTVIFXKWHAS-RISCZKNCSA-N 0 3 357.292 3.078 20 10 FGCDHN CCOc1cccc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000093757526 700454025 /nfs/dbraw/zinc/45/40/25/700454025.db2.gz ZAJYVHLILVBXJO-HNNXBMFYSA-N 0 3 350.459 3.280 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)CCc2ccccn2)c1[O-] ZINC000120791739 700660156 /nfs/dbraw/zinc/66/01/56/700660156.db2.gz BXLHCLXZDYVGCV-UHFFFAOYSA-N 0 3 351.244 3.233 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)CCc2ccccn2)c1[O-] ZINC000120791739 700660157 /nfs/dbraw/zinc/66/01/57/700660157.db2.gz BXLHCLXZDYVGCV-UHFFFAOYSA-N 0 3 351.244 3.233 20 10 FGCDHN CCN(CC)c1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000182918642 705868796 /nfs/dbraw/zinc/86/87/96/705868796.db2.gz MHDVWTDPDLFZOD-AEFFLSMTSA-N 0 3 356.507 3.117 20 10 FGCDHN CC[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000380975864 713977439 /nfs/dbraw/zinc/97/74/39/713977439.db2.gz BDORCTHDTZSGCV-HOCLYGCPSA-N 0 3 350.459 3.069 20 10 FGCDHN CCOc1ccc(O)c(CN[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000749924366 722747981 /nfs/dbraw/zinc/74/79/81/722747981.db2.gz PYKPXYXJHPMMDW-QGZVFWFLSA-N 0 3 360.841 3.339 20 10 FGCDHN O=c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)nc2sccn21 ZINC000731845948 722478538 /nfs/dbraw/zinc/47/85/38/722478538.db2.gz OTLBUYMBTYILCI-UHFFFAOYSA-N 0 3 355.463 3.406 20 10 FGCDHN O=c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)nc2sccn21 ZINC000731845948 722478539 /nfs/dbraw/zinc/47/85/39/722478539.db2.gz OTLBUYMBTYILCI-UHFFFAOYSA-N 0 3 355.463 3.406 20 10 FGCDHN COc1cccc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)c1O ZINC000734844953 722510536 /nfs/dbraw/zinc/51/05/36/722510536.db2.gz GQWIARYWKVPXCT-QGZVFWFLSA-N 0 3 355.356 3.417 20 10 FGCDHN COc1cc(Br)cc(CN[C@@H](CO)c2ccc(F)cc2)c1O ZINC000734850674 722510656 /nfs/dbraw/zinc/51/06/56/722510656.db2.gz LZLCMDRSYJFYDD-AWEZNQCLSA-N 0 3 370.218 3.126 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1[O-] ZINC000742377595 722556558 /nfs/dbraw/zinc/55/65/58/722556558.db2.gz WFMCROVSKTUYOT-DAXOMENPSA-N 0 3 370.287 3.457 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCCC(=O)OC(C)(C)C)c1[O-] ZINC000744449659 722577169 /nfs/dbraw/zinc/57/71/69/722577169.db2.gz AUYXHQUYEWBWGZ-UHFFFAOYSA-N 0 3 374.275 3.375 20 10 FGCDHN COc1cccc(Cl)c1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000790995583 723203753 /nfs/dbraw/zinc/20/37/53/723203753.db2.gz KDHMQBVPGBMEMH-UHFFFAOYSA-N 0 3 359.901 3.390 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000763425615 723342392 /nfs/dbraw/zinc/34/23/92/723342392.db2.gz SOEOIZVLIQGYAC-ZDUSSCGKSA-N 0 3 368.246 3.235 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000793565764 723449456 /nfs/dbraw/zinc/44/94/56/723449456.db2.gz DBTJOGSFWDLYFK-WHOFXGATSA-N 0 3 374.319 3.272 20 10 FGCDHN CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000794806379 723547065 /nfs/dbraw/zinc/54/70/65/723547065.db2.gz HYJMHNBEWJRXTK-SFHVURJKSA-N 0 3 363.479 3.224 20 10 FGCDHN C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439462 723657548 /nfs/dbraw/zinc/65/75/48/723657548.db2.gz MDRJRSFSCAEEPR-INIZCTEOSA-N 0 3 353.340 3.469 20 10 FGCDHN C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439462 723657549 /nfs/dbraw/zinc/65/75/49/723657549.db2.gz MDRJRSFSCAEEPR-INIZCTEOSA-N 0 3 353.340 3.469 20 10 FGCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000768650958 723664318 /nfs/dbraw/zinc/66/43/18/723664318.db2.gz HUJTUFXFIKCLOF-AZUAARDMSA-N 0 3 357.885 3.468 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H](O)C(F)(F)F ZINC000776252932 724123938 /nfs/dbraw/zinc/12/39/38/724123938.db2.gz GOLNVAAGZSKXHG-JQWIXIFHSA-N 0 3 356.182 3.255 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000778203394 724310611 /nfs/dbraw/zinc/31/06/11/724310611.db2.gz MIVPMSARQKLEMS-UKRRQHHQSA-N 0 3 350.459 3.278 20 10 FGCDHN CN(C)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000802379826 724380137 /nfs/dbraw/zinc/38/01/37/724380137.db2.gz VETDIPLDNYHMKZ-AGHZKPIHSA-N 0 3 360.841 3.184 20 10 FGCDHN Fc1cc(CN[C@H]2CCc3nc(Cl)ccc32)ccc1N1CCOCC1 ZINC000806131604 725117000 /nfs/dbraw/zinc/11/70/00/725117000.db2.gz MYMHPDCITGMTKB-INIZCTEOSA-N 0 3 361.848 3.488 20 10 FGCDHN COc1cc(C)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000808200317 725187981 /nfs/dbraw/zinc/18/79/81/725187981.db2.gz LMXDMXZPGJCZKR-ZFWWWQNUSA-N 0 3 350.459 3.197 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)c1[O-] ZINC000808675564 725212843 /nfs/dbraw/zinc/21/28/43/725212843.db2.gz LLKKZGCMFMWUTP-CQSZACIVSA-N 0 3 361.873 3.436 20 10 FGCDHN Cc1cccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000814177613 726945151 /nfs/dbraw/zinc/94/51/51/726945151.db2.gz ILIQFBBYTIHRIL-HNNXBMFYSA-N 0 3 354.219 3.425 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CNC(C)(C)CS(C)(=O)=O)cc1 ZINC000824172136 729322725 /nfs/dbraw/zinc/32/27/25/729322725.db2.gz NBWHAEMEWBDKSR-UHFFFAOYSA-N 0 3 366.552 3.297 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCc2ncccc2C)c1[O-] ZINC000824795013 729359152 /nfs/dbraw/zinc/35/91/52/729359152.db2.gz KLEMOVIUSIYDAD-UHFFFAOYSA-N 0 3 351.244 3.199 20 10 FGCDHN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(N(C)C)cc2C)C1 ZINC000826893782 729418175 /nfs/dbraw/zinc/41/81/75/729418175.db2.gz BFUCSDSSWIHKPU-CABCVRRESA-N 0 3 358.404 3.234 20 10 FGCDHN O=S(=O)(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(Cl)cc1 ZINC000834814869 729836177 /nfs/dbraw/zinc/83/61/77/729836177.db2.gz PXXLTNCKNOUVKY-MRXNPFEDSA-N 0 3 365.882 3.487 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c2c1c(F)ccc2[O-] ZINC000834828368 729837567 /nfs/dbraw/zinc/83/75/67/729837567.db2.gz SILHSHKJPXYLRV-TYNCELHUSA-N 0 3 361.438 3.240 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1[O-] ZINC000840975214 730199804 /nfs/dbraw/zinc/19/98/04/730199804.db2.gz UPZSNHFPCSXPFB-HNNXBMFYSA-N 0 3 352.862 3.031 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c1[O-] ZINC000840975214 730199806 /nfs/dbraw/zinc/19/98/06/730199806.db2.gz UPZSNHFPCSXPFB-HNNXBMFYSA-N 0 3 352.862 3.031 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752690 730270822 /nfs/dbraw/zinc/27/08/22/730270822.db2.gz VBGRXQCJUVUDNH-VHSSKADRSA-N 0 3 352.906 3.464 20 10 FGCDHN CC(=O)NCCN(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843427456 730619715 /nfs/dbraw/zinc/61/97/15/730619715.db2.gz BQTKIIWBDXDGGY-UHFFFAOYSA-N 0 3 368.319 3.007 20 10 FGCDHN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000844858671 730781310 /nfs/dbraw/zinc/78/13/10/730781310.db2.gz MHKUYSJTEIIDFM-KRWDZBQOSA-N 0 3 359.857 3.119 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccco2)c1[O-] ZINC000848516675 731174320 /nfs/dbraw/zinc/17/43/20/731174320.db2.gz ATIXVGQHZPYLNT-CABZTGNLSA-N 0 3 356.216 3.141 20 10 FGCDHN COc1cc(Br)cc([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000848525990 731175236 /nfs/dbraw/zinc/17/52/36/731175236.db2.gz SSQYXPYXPAFFHW-VHSXEESVSA-N 0 3 373.291 3.117 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000848525990 731175238 /nfs/dbraw/zinc/17/52/38/731175238.db2.gz SSQYXPYXPAFFHW-VHSXEESVSA-N 0 3 373.291 3.117 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000848531505 731176368 /nfs/dbraw/zinc/17/63/68/731176368.db2.gz PHQDZAQJGWRZKR-VXGBXAGGSA-N 0 3 357.292 3.156 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c1[O-] ZINC000848533141 731176819 /nfs/dbraw/zinc/17/68/19/731176819.db2.gz OGZSOHTYTBOBKQ-WZRBSPASSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1ccc(N2CC[C@H](NCc3c(Cl)nc4ccccn43)C2)cc1 ZINC000850345794 731344828 /nfs/dbraw/zinc/34/48/28/731344828.db2.gz KQCYBYHRYDXTBJ-AWEZNQCLSA-N 0 3 356.857 3.365 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2SCCS2)c1[O-] ZINC000850401542 731352537 /nfs/dbraw/zinc/35/25/37/731352537.db2.gz JYNFVCAOROWXBT-UHFFFAOYSA-N 0 3 350.303 3.059 20 10 FGCDHN CCS(=O)(=O)C1(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000850558809 731373192 /nfs/dbraw/zinc/37/31/92/731373192.db2.gz XGHQNTUDJRKRKB-INIZCTEOSA-N 0 3 350.528 3.295 20 10 FGCDHN Cn1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c(Cl)n1 ZINC000856768391 732056893 /nfs/dbraw/zinc/05/68/93/732056893.db2.gz HCOOUGWHDLSXEC-UHFFFAOYSA-N 0 3 370.831 3.434 20 10 FGCDHN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000862489082 732841287 /nfs/dbraw/zinc/84/12/87/732841287.db2.gz YYVPBRZVZJPIKB-CQSZACIVSA-N 0 3 354.244 3.205 20 10 FGCDHN NC(=O)C1CCN(c2ccc(CNCc3cc(Cl)cs3)cc2)CC1 ZINC000886325123 739243979 /nfs/dbraw/zinc/24/39/79/739243979.db2.gz VLJPXKAQCTZQSB-UHFFFAOYSA-N 0 3 363.914 3.393 20 10 FGCDHN COc1cc(C)cc(CNCc2ccc(OCC(F)(F)F)nc2)c1O ZINC000894176438 742248943 /nfs/dbraw/zinc/24/89/43/742248943.db2.gz SKJVAAAIVDGTMI-UHFFFAOYSA-N 0 3 356.344 3.335 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)c1[O-] ZINC000903391395 743843684 /nfs/dbraw/zinc/84/36/84/743843684.db2.gz XOSMMPGPJLPSLB-SWLSCSKDSA-N 0 3 370.287 3.452 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1[O-] ZINC000903424432 743848787 /nfs/dbraw/zinc/84/87/87/743848787.db2.gz VDMCJQILJRDCSH-SFHVURJKSA-N 0 3 362.495 3.337 20 10 FGCDHN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000917479780 758226626 /nfs/dbraw/zinc/22/66/26/758226626.db2.gz GMFAFUYXFJLOKG-LBPRGKRZSA-N 0 3 364.239 3.303 20 10 FGCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000917479780 758226641 /nfs/dbraw/zinc/22/66/41/758226641.db2.gz GMFAFUYXFJLOKG-LBPRGKRZSA-N 0 3 364.239 3.303 20 10 FGCDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)cn1 ZINC000925160655 759456586 /nfs/dbraw/zinc/45/65/86/759456586.db2.gz MLRRFHLOCLUNML-KBPBESRZSA-N 0 3 350.413 3.341 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCNc2cnccn2)c1[O-] ZINC000779028088 724382351 /nfs/dbraw/zinc/38/23/51/724382351.db2.gz WKMCHGGNHDORNU-LLVKDONJSA-N 0 3 351.248 3.016 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000092645340 494694623 /nfs/dbraw/zinc/69/46/23/494694623.db2.gz UDRHDRPMBRJNMJ-UHFFFAOYSA-N 0 3 369.509 3.325 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000092645340 494694631 /nfs/dbraw/zinc/69/46/31/494694631.db2.gz UDRHDRPMBRJNMJ-UHFFFAOYSA-N 0 3 369.509 3.325 20 10 FGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(CO)c1 ZINC000121411160 494743676 /nfs/dbraw/zinc/74/36/76/494743676.db2.gz BCCGXKFHQDWXEF-HNNXBMFYSA-N 0 3 358.457 3.130 20 10 FGCDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093454461 494892732 /nfs/dbraw/zinc/89/27/32/494892732.db2.gz RJVISTZDCGXRKG-NRFANRHFSA-N 0 3 368.525 3.356 20 10 FGCDHN O=C1NCCCN1C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093668832 494910956 /nfs/dbraw/zinc/91/09/56/494910956.db2.gz QWZQZLCTIXBLTG-UHFFFAOYSA-N 0 3 356.514 3.057 20 10 FGCDHN COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000113331587 495297687 /nfs/dbraw/zinc/29/76/87/495297687.db2.gz KHPYCLOWAFCDCR-UHFFFAOYSA-N 0 3 368.477 3.033 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000179738702 495711948 /nfs/dbraw/zinc/71/19/48/495711948.db2.gz ORJZPEPQECRDAB-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN CCOc1cccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000179738702 495711952 /nfs/dbraw/zinc/71/19/52/495711952.db2.gz ORJZPEPQECRDAB-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000185874455 495759063 /nfs/dbraw/zinc/75/90/63/495759063.db2.gz YWFVLQAMIJWJCE-KDOFPFPSSA-N 0 3 374.481 3.372 20 10 FGCDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182931897 495763139 /nfs/dbraw/zinc/76/31/39/495763139.db2.gz QSHXUPZAWDSVAB-LJQANCHMSA-N 0 3 368.477 3.319 20 10 FGCDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182931897 495763143 /nfs/dbraw/zinc/76/31/43/495763143.db2.gz QSHXUPZAWDSVAB-LJQANCHMSA-N 0 3 368.477 3.319 20 10 FGCDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000183046146 495812169 /nfs/dbraw/zinc/81/21/69/495812169.db2.gz CPOBHEKORKIRPU-ZIAGYGMSSA-N 0 3 350.413 3.341 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000186032217 495828464 /nfs/dbraw/zinc/82/84/64/495828464.db2.gz TZBGLLWRDJUBEF-HNNXBMFYSA-N 0 3 360.479 3.091 20 10 FGCDHN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Cl)ccc1[O-] ZINC000185041911 496634199 /nfs/dbraw/zinc/63/41/99/496634199.db2.gz DWCQVVQWWLIBPB-AWEZNQCLSA-N 0 3 360.889 3.043 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000165193950 496651248 /nfs/dbraw/zinc/65/12/48/496651248.db2.gz AJOFKDOXOGMSJT-CQSZACIVSA-N 0 3 359.401 3.421 20 10 FGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000273274278 496760593 /nfs/dbraw/zinc/76/05/93/496760593.db2.gz OZLRRYLRXBDCDX-LAUBAEHRSA-N 0 3 366.509 3.380 20 10 FGCDHN Cc1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000270925148 497227921 /nfs/dbraw/zinc/22/79/21/497227921.db2.gz KOQCJYCLWOIMKH-MRXNPFEDSA-N 0 3 354.498 3.291 20 10 FGCDHN CCOCc1cc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)ccc1OC ZINC000275302574 497280504 /nfs/dbraw/zinc/28/05/04/497280504.db2.gz NBBMLXOUBPOJOZ-RXVVDRJESA-N 0 3 373.497 3.202 20 10 FGCDHN Cc1cc(Br)cc(CN[C@@H](CO)c2ccc(F)cc2)c1O ZINC000271859018 497471977 /nfs/dbraw/zinc/47/19/77/497471977.db2.gz VNJSKOKORFCTMB-HNNXBMFYSA-N 0 3 354.219 3.425 20 10 FGCDHN Nc1cccc(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1 ZINC000263255626 497743262 /nfs/dbraw/zinc/74/32/62/497743262.db2.gz KTRXIXRQUAEEFZ-UHFFFAOYSA-N 0 3 350.466 3.053 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000284737253 497884358 /nfs/dbraw/zinc/88/43/58/497884358.db2.gz DVRAMZBIRZOQRZ-CSODHUTKSA-N 0 3 368.481 3.061 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364416336 497944594 /nfs/dbraw/zinc/94/45/94/497944594.db2.gz LMWKBXAHAYBRFD-FCEWJHQRSA-N 0 3 360.498 3.191 20 10 FGCDHN O=C(Nc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1)[C@@H]1CCCO1 ZINC000296192969 497951617 /nfs/dbraw/zinc/95/16/17/497951617.db2.gz YRJASTGONKIZSE-HKUYNNGSSA-N 0 3 352.434 3.287 20 10 FGCDHN COc1cc(O)c(CN(C)CCc2nc(-c3ccccc3)no2)cc1OC ZINC000284976802 497959526 /nfs/dbraw/zinc/95/95/26/497959526.db2.gz BMFYQMAPPBUQOP-UHFFFAOYSA-N 0 3 369.421 3.134 20 10 FGCDHN COc1cc([O-])c(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)cc1OC ZINC000284976802 497959539 /nfs/dbraw/zinc/95/95/39/497959539.db2.gz BMFYQMAPPBUQOP-UHFFFAOYSA-N 0 3 369.421 3.134 20 10 FGCDHN COc1cc([O-])c(C[N@H+](C)CCc2nc(-c3ccccc3)no2)cc1OC ZINC000284976802 497959532 /nfs/dbraw/zinc/95/95/32/497959532.db2.gz BMFYQMAPPBUQOP-UHFFFAOYSA-N 0 3 369.421 3.134 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@@H]31)OCO2 ZINC000285176809 498013763 /nfs/dbraw/zinc/01/37/63/498013763.db2.gz QTQRXBUKSMROAL-KURKYZTESA-N 0 3 353.418 3.125 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@@H]31)OCO2 ZINC000285176809 498013770 /nfs/dbraw/zinc/01/37/70/498013770.db2.gz QTQRXBUKSMROAL-KURKYZTESA-N 0 3 353.418 3.125 20 10 FGCDHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000360963633 498327462 /nfs/dbraw/zinc/32/74/62/498327462.db2.gz YRFAWWHBXJRVLE-PKTZIBPZSA-N 0 3 365.521 3.231 20 10 FGCDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)/C=C/c1cnc2ccccc2n1 ZINC000365217654 498355668 /nfs/dbraw/zinc/35/56/68/498355668.db2.gz GFAVTZHYDFDNHL-NADMHLTPSA-N 0 3 360.417 3.088 20 10 FGCDHN Cn1nccc1CNC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000361569047 498408114 /nfs/dbraw/zinc/40/81/14/498408114.db2.gz LIYANXYSVWMTJQ-UHFFFAOYSA-N 0 3 354.376 3.077 20 10 FGCDHN CCOCc1cc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1OC ZINC000365669183 498589175 /nfs/dbraw/zinc/58/91/75/498589175.db2.gz SDMGUBTWOJYXJP-WOJBJXKFSA-N 0 3 363.498 3.032 20 10 FGCDHN COc1ccc(N2CCCN(C(=O)c3ccc(CN(C)C)cc3)CC2)cc1 ZINC000363666951 498933920 /nfs/dbraw/zinc/93/39/20/498933920.db2.gz SIVOBDMOWYVWPX-UHFFFAOYSA-N 0 3 367.493 3.109 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c([O-])c1 ZINC000283884515 499006191 /nfs/dbraw/zinc/00/61/91/499006191.db2.gz CGQKEJHCNHGOAW-DLBZAZTESA-N 0 3 355.482 3.480 20 10 FGCDHN CCC(=O)N1CC[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000295662030 499075027 /nfs/dbraw/zinc/07/50/27/499075027.db2.gz JLCJKSXHZBTAIZ-KRWDZBQOSA-N 0 3 357.523 3.485 20 10 FGCDHN CCOC(=O)c1ccn(-c2cccc(C[NH2+]Cc3ccccc3[O-])c2)n1 ZINC000367675688 499224021 /nfs/dbraw/zinc/22/40/21/499224021.db2.gz ZLWXSICAPYOBBP-UHFFFAOYSA-N 0 3 351.406 3.044 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000368330061 499286152 /nfs/dbraw/zinc/28/61/52/499286152.db2.gz FXSLXZVWJUFSJQ-CQSZACIVSA-N 0 3 370.449 3.062 20 10 FGCDHN COc1cccc(C(=O)N2CCCN(Cc3cc(C)ccc3O)CC2)c1 ZINC000368581202 499309930 /nfs/dbraw/zinc/30/99/30/499309930.db2.gz FLSKYZTVHHIULB-UHFFFAOYSA-N 0 3 354.450 3.057 20 10 FGCDHN CC(C)c1nnc([C@H]2CC23CCN(Cc2cc4c(cc2O)OCO4)CC3)o1 ZINC000371334116 499311867 /nfs/dbraw/zinc/31/18/67/499311867.db2.gz XGJQHANOHUHRRX-CQSZACIVSA-N 0 3 371.437 3.397 20 10 FGCDHN CC(C)c1nnc([C@H]2CC23CC[NH+](Cc2cc4c(cc2[O-])OCO4)CC3)o1 ZINC000371334116 499311869 /nfs/dbraw/zinc/31/18/69/499311869.db2.gz XGJQHANOHUHRRX-CQSZACIVSA-N 0 3 371.437 3.397 20 10 FGCDHN COc1cc(O)c(CN2CCC(O)(c3ccccc3C)CC2)cc1OC ZINC000371426739 499325191 /nfs/dbraw/zinc/32/51/91/499325191.db2.gz QTTGJYSXXOFZRE-UHFFFAOYSA-N 0 3 357.450 3.201 20 10 FGCDHN COC(=O)c1ccnc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3[O-])CC2)c1 ZINC000371865283 499373205 /nfs/dbraw/zinc/37/32/05/499373205.db2.gz TWZNBJMVAPHVRV-OAHLLOKOSA-N 0 3 369.465 3.202 20 10 FGCDHN COc1cc(O)c(CN2CCC(O)(Cc3ccc(C)cc3)CC2)cc1OC ZINC000373467871 499471662 /nfs/dbraw/zinc/47/16/62/499471662.db2.gz SSCSWGNJHYUPHW-UHFFFAOYSA-N 0 3 371.477 3.287 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000373600178 499479144 /nfs/dbraw/zinc/47/91/44/499479144.db2.gz BJNCEQYARPVAEP-CYBMUJFWSA-N 0 3 360.479 3.418 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000373600178 499479145 /nfs/dbraw/zinc/47/91/45/499479145.db2.gz BJNCEQYARPVAEP-CYBMUJFWSA-N 0 3 360.479 3.418 20 10 FGCDHN CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)c2ccccc2C1 ZINC000378493059 499523824 /nfs/dbraw/zinc/52/38/24/499523824.db2.gz HRFJACARAUGJNE-HXUWFJFHSA-N 0 3 355.457 3.475 20 10 FGCDHN CC[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(C)cc1[O-] ZINC000376572474 499619645 /nfs/dbraw/zinc/61/96/45/499619645.db2.gz SRCHOIVFHJOGGU-ROUUACIJSA-N 0 3 354.450 3.381 20 10 FGCDHN Cc1cnn(C)c1CNC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000377142644 499665718 /nfs/dbraw/zinc/66/57/18/499665718.db2.gz OZCAMIDOWKEGFV-AWEZNQCLSA-N 0 3 368.403 3.243 20 10 FGCDHN CN1CC[NH+](C[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377624057 499712392 /nfs/dbraw/zinc/71/23/92/499712392.db2.gz KNDKKPFIOFWLQG-AWEZNQCLSA-N 0 3 372.340 3.158 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@H]3CCCN3C)ccc21 ZINC000421708241 500124802 /nfs/dbraw/zinc/12/48/02/500124802.db2.gz ZTWNSDVBAQZMQF-GOSISDBHSA-N 0 3 357.498 3.071 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000490406605 503168952 /nfs/dbraw/zinc/16/89/52/503168952.db2.gz HJGKAJOIQAZDPE-JXXFODFXSA-N 0 3 368.525 3.358 20 10 FGCDHN CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927699 604767815 /nfs/dbraw/zinc/76/78/15/604767815.db2.gz BNIQBXMZLBNFDT-KXBFYZLASA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927699 604767817 /nfs/dbraw/zinc/76/78/17/604767817.db2.gz BNIQBXMZLBNFDT-KXBFYZLASA-N 0 3 354.450 3.160 20 10 FGCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(O)(C(F)(F)F)CC3)c2c1 ZINC000089651781 700393269 /nfs/dbraw/zinc/39/32/69/700393269.db2.gz DSVLJBMEEYVRAQ-UHFFFAOYSA-N 0 3 355.356 3.443 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000093643857 700452944 /nfs/dbraw/zinc/45/29/44/700452944.db2.gz HCWBTVIFXKWHAS-BXUZGUMPSA-N 0 3 357.292 3.078 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000093643857 700452947 /nfs/dbraw/zinc/45/29/47/700452947.db2.gz HCWBTVIFXKWHAS-BXUZGUMPSA-N 0 3 357.292 3.078 20 10 FGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C(C)C)N(C)C ZINC000120987851 700663406 /nfs/dbraw/zinc/66/34/06/700663406.db2.gz RZUUSTMPJOLNEI-OAHLLOKOSA-N 0 3 357.292 3.089 20 10 FGCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000158574649 705190985 /nfs/dbraw/zinc/19/09/85/705190985.db2.gz SOLLHQOKDLLSQI-KGLIPLIRSA-N 0 3 351.443 3.353 20 10 FGCDHN COc1cc(CN2CCCN(CC(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000159663857 705230306 /nfs/dbraw/zinc/23/03/06/705230306.db2.gz RDTCENOUQGJILT-UHFFFAOYSA-N 0 3 356.457 3.471 20 10 FGCDHN Cc1cc(C)c(O)c(CN2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000164404634 705329085 /nfs/dbraw/zinc/32/90/85/705329085.db2.gz VNFVETRIRKTGBL-UHFFFAOYSA-N 0 3 354.479 3.336 20 10 FGCDHN Cc1cc2c(ncnc2N2CCN(Cc3cc(C)ccc3O)CC2)s1 ZINC000188758600 712776577 /nfs/dbraw/zinc/77/65/77/712776577.db2.gz GKCBWFUQACHALW-UHFFFAOYSA-N 0 3 354.479 3.336 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374889587 713951410 /nfs/dbraw/zinc/95/14/10/713951410.db2.gz CILLJOJHMPKGLK-UHFFFAOYSA-N 0 3 354.223 3.327 20 10 FGCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000717101638 722417509 /nfs/dbraw/zinc/41/75/09/722417509.db2.gz VZAZGSAWOFDTSG-CQSZACIVSA-N 0 3 356.413 3.374 20 10 FGCDHN COc1ccc(N2CCN(CCCNCc3ccc(Cl)o3)CC2)cc1 ZINC000726708566 722437250 /nfs/dbraw/zinc/43/72/50/722437250.db2.gz OLXYHUNFCALQAA-UHFFFAOYSA-N 0 3 363.889 3.244 20 10 FGCDHN CCSCC[C@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749366963 722726316 /nfs/dbraw/zinc/72/63/16/722726316.db2.gz XRXACWHSUIDIQJ-INIZCTEOSA-N 0 3 351.560 3.175 20 10 FGCDHN Cc1ccc(O)c([C@H](C)NCc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC000756443744 722964755 /nfs/dbraw/zinc/96/47/55/722964755.db2.gz IIEVJKIUSAEECU-HNNXBMFYSA-N 0 3 362.495 3.238 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000756492980 722965518 /nfs/dbraw/zinc/96/55/18/722965518.db2.gz BJCGCMPWZGLWKX-NEPJUHHUSA-N 0 3 352.431 3.315 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2[O-] ZINC000756759886 722969688 /nfs/dbraw/zinc/96/96/88/722969688.db2.gz NIJFTNUOJXSOCD-USWWRNFRSA-N 0 3 360.351 3.223 20 10 FGCDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000760886023 723101613 /nfs/dbraw/zinc/10/16/13/723101613.db2.gz NNODQBQSCKVCRM-ZOCIIQOWSA-N 0 3 368.905 3.021 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000761216806 723133913 /nfs/dbraw/zinc/13/39/13/723133913.db2.gz XVOSAGCYIPEPAG-SFHVURJKSA-N 0 3 351.805 3.287 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000761216806 723133916 /nfs/dbraw/zinc/13/39/16/723133916.db2.gz XVOSAGCYIPEPAG-SFHVURJKSA-N 0 3 351.805 3.287 20 10 FGCDHN COc1cc(Cl)cc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000761216806 723133918 /nfs/dbraw/zinc/13/39/18/723133918.db2.gz XVOSAGCYIPEPAG-SFHVURJKSA-N 0 3 351.805 3.287 20 10 FGCDHN CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000793389717 723432990 /nfs/dbraw/zinc/43/29/90/723432990.db2.gz NACVDCILLHCNQU-ZIAGYGMSSA-N 0 3 357.397 3.248 20 10 FGCDHN C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437964 723657484 /nfs/dbraw/zinc/65/74/84/723657484.db2.gz LGUHRJAVIKDQQY-MRXNPFEDSA-N 0 3 353.340 3.469 20 10 FGCDHN C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437964 723657485 /nfs/dbraw/zinc/65/74/85/723657485.db2.gz LGUHRJAVIKDQQY-MRXNPFEDSA-N 0 3 353.340 3.469 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](CSc3ccccc3)C1)[C@@H](O)CO2 ZINC000768466143 723658456 /nfs/dbraw/zinc/65/84/56/723658456.db2.gz MUAIUAUUJIUPJH-LIRRHRJNSA-N 0 3 357.475 3.432 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](CSc3ccccc3)C1)[C@@H](O)CO2 ZINC000768466143 723658457 /nfs/dbraw/zinc/65/84/57/723658457.db2.gz MUAIUAUUJIUPJH-LIRRHRJNSA-N 0 3 357.475 3.432 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000771890971 723744508 /nfs/dbraw/zinc/74/45/08/723744508.db2.gz VNLCKOPSGXAYBB-UONOGXRCSA-N 0 3 358.276 3.457 20 10 FGCDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000799726605 724088391 /nfs/dbraw/zinc/08/83/91/724088391.db2.gz QOOAVPMMVPXZKO-GFCCVEGCSA-N 0 3 360.329 3.376 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H](O)C(F)(F)F ZINC000776252930 724124104 /nfs/dbraw/zinc/12/41/04/724124104.db2.gz GOLNVAAGZSKXHG-CMPLNLGQSA-N 0 3 356.182 3.255 20 10 FGCDHN Oc1ccccc1CN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000778996557 724379573 /nfs/dbraw/zinc/37/95/73/724379573.db2.gz QEGSEKDMXFQWNL-UHFFFAOYSA-N 0 3 361.283 3.473 20 10 FGCDHN CCCCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(OC)c1O ZINC000809691168 725259001 /nfs/dbraw/zinc/25/90/01/725259001.db2.gz IXFPLQILRFWGRZ-INIZCTEOSA-N 0 3 350.459 3.282 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000809705885 725260774 /nfs/dbraw/zinc/26/07/74/725260774.db2.gz CSZFJLLMPQLJAV-UHFFFAOYSA-N 0 3 358.825 3.130 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@]2(C)CCCO)c1[O-] ZINC000809757388 725265804 /nfs/dbraw/zinc/26/58/04/725265804.db2.gz MIIIFUNDMPMWSK-MRXNPFEDSA-N 0 3 358.276 3.290 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@]2(C)CCCO)c1[O-] ZINC000809757388 725265805 /nfs/dbraw/zinc/26/58/05/725265805.db2.gz MIIIFUNDMPMWSK-MRXNPFEDSA-N 0 3 358.276 3.290 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC000814176954 726945138 /nfs/dbraw/zinc/94/51/38/726945138.db2.gz WEXLVDJXEQSAAU-CJNGLKHVSA-N 0 3 350.434 3.363 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC000814176954 726945139 /nfs/dbraw/zinc/94/51/39/726945139.db2.gz WEXLVDJXEQSAAU-CJNGLKHVSA-N 0 3 350.434 3.363 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]Cc2cc(C)nc(C)c2)c1[O-] ZINC000817409494 727248035 /nfs/dbraw/zinc/24/80/35/727248035.db2.gz CTXSJPKTPKRMTN-UHFFFAOYSA-N 0 3 351.244 3.465 20 10 FGCDHN COc1ccc(N2CC[C@H](CNCc3c(Cl)nc(Cl)n3C)C2)cc1 ZINC000818219052 727302038 /nfs/dbraw/zinc/30/20/38/727302038.db2.gz AXRDOBJGTBFWJP-GFCCVEGCSA-N 0 3 369.296 3.352 20 10 FGCDHN CC[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000824636928 729352176 /nfs/dbraw/zinc/35/21/76/729352176.db2.gz VEJYBJXYJWFFDC-BBRMVZONSA-N 0 3 357.401 3.079 20 10 FGCDHN CC(C)(CO)[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000835058563 729854145 /nfs/dbraw/zinc/85/41/45/729854145.db2.gz QPSLRCHXUQOYCA-IBGZPJMESA-N 0 3 360.523 3.434 20 10 FGCDHN COc1cc(Br)c(CNCCc2ccc(N)cc2)cc1O ZINC000841035303 730205099 /nfs/dbraw/zinc/20/50/99/730205099.db2.gz MEINPNVQHLSNQZ-UHFFFAOYSA-N 0 3 351.244 3.078 20 10 FGCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000843406338 730616081 /nfs/dbraw/zinc/61/60/81/730616081.db2.gz HIAIMMUDOXQPQL-DZGCQCFKSA-N 0 3 350.459 3.136 20 10 FGCDHN Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cccc(O)c3[O-])C2)s1 ZINC000846102151 730929100 /nfs/dbraw/zinc/92/91/00/730929100.db2.gz QEMUHNXYJNGTSN-CQSZACIVSA-N 0 3 360.479 3.062 20 10 FGCDHN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc(O)c3[O-])C2)s1 ZINC000846102151 730929101 /nfs/dbraw/zinc/92/91/01/730929101.db2.gz QEMUHNXYJNGTSN-CQSZACIVSA-N 0 3 360.479 3.062 20 10 FGCDHN CCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848513882 731173858 /nfs/dbraw/zinc/17/38/58/731173858.db2.gz HWJMCIXNKQTNCQ-YPMHNXCESA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])ccn1 ZINC000848519099 731174101 /nfs/dbraw/zinc/17/41/01/731174101.db2.gz PFPBWINXCMEIME-SNVBAGLBSA-N 0 3 367.243 3.418 20 10 FGCDHN COc1cc(CN[C@H](C)c2cc(Br)cc(OC)c2O)ccn1 ZINC000848519099 731174105 /nfs/dbraw/zinc/17/41/05/731174105.db2.gz PFPBWINXCMEIME-SNVBAGLBSA-N 0 3 367.243 3.418 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1[O-] ZINC000848530310 731176375 /nfs/dbraw/zinc/17/63/75/731176375.db2.gz CYGQMNPHYIHAPU-AAEUAGOBSA-N 0 3 374.275 3.010 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1[O-] ZINC000848548074 731179334 /nfs/dbraw/zinc/17/93/34/731179334.db2.gz ULLNFWSDQBXYFZ-PWSUYJOCSA-N 0 3 366.259 3.025 20 10 FGCDHN CCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000850553838 731372307 /nfs/dbraw/zinc/37/23/07/731372307.db2.gz DNOZLDQZYXQIPU-WCQYABFASA-N 0 3 357.292 3.298 20 10 FGCDHN CNC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000854233058 731806896 /nfs/dbraw/zinc/80/68/96/731806896.db2.gz WBDGEFUVDXQPSK-SFYZADRCSA-N 0 3 366.097 3.176 20 10 FGCDHN [O-]c1ccccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858241080 732195851 /nfs/dbraw/zinc/19/58/51/732195851.db2.gz WTISWDUNTYZMBF-SFHVURJKSA-N 0 3 362.267 3.164 20 10 FGCDHN CCC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000862535946 732845354 /nfs/dbraw/zinc/84/53/54/732845354.db2.gz AJKAMBBKGCBYBJ-UHFFFAOYSA-N 0 3 352.906 3.431 20 10 FGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2c1 ZINC000872687667 735661357 /nfs/dbraw/zinc/66/13/57/735661357.db2.gz PHUSOGRIQNBNFA-BLLLJJGKSA-N 0 3 355.356 3.157 20 10 FGCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2c1 ZINC000872687667 735661362 /nfs/dbraw/zinc/66/13/62/735661362.db2.gz PHUSOGRIQNBNFA-BLLLJJGKSA-N 0 3 355.356 3.157 20 10 FGCDHN CCCOc1ccc(CNCc2cccc(NS(C)(=O)=O)c2)cc1C ZINC000873009751 735709186 /nfs/dbraw/zinc/70/91/86/735709186.db2.gz UPTJHJFYGBQJJC-UHFFFAOYSA-N 0 3 362.495 3.445 20 10 FGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(Br)no1 ZINC000878565885 736888776 /nfs/dbraw/zinc/88/87/76/736888776.db2.gz VHVSDDYSBSJYTR-AWEZNQCLSA-N 0 3 369.259 3.478 20 10 FGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(Br)no1 ZINC000878565885 736888777 /nfs/dbraw/zinc/88/87/77/736888777.db2.gz VHVSDDYSBSJYTR-AWEZNQCLSA-N 0 3 369.259 3.478 20 10 FGCDHN CN1CCN(c2ccc(CNCc3c(Cl)cncc3Cl)cc2)CC1 ZINC000883282703 737547115 /nfs/dbraw/zinc/54/71/15/737547115.db2.gz BATVIZXSBSFMRV-UHFFFAOYSA-N 0 3 365.308 3.430 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1[O-] ZINC000897969051 742729602 /nfs/dbraw/zinc/72/96/02/742729602.db2.gz CNIDUFFUZZLZSV-NSHDSACASA-N 0 3 351.244 3.279 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1[O-] ZINC000903481349 743855899 /nfs/dbraw/zinc/85/58/99/743855899.db2.gz ZJNKLGQLKGLDNR-KOLCDFICSA-N 0 3 354.223 3.156 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCOCC3)c1[O-] ZINC000927156033 759909331 /nfs/dbraw/zinc/90/93/31/759909331.db2.gz LYERLLDCUIJBSX-CQDKDKBSSA-N 0 3 370.287 3.044 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)N(C)C[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000115824891 494632388 /nfs/dbraw/zinc/63/23/88/494632388.db2.gz AXCBCPMBNODCHV-HXUWFJFHSA-N 0 3 372.557 3.406 20 10 FGCDHN Cc1cc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc(C)n1 ZINC000091675348 494642528 /nfs/dbraw/zinc/64/25/28/494642528.db2.gz JEGPTCHQQOTTNK-UHFFFAOYSA-N 0 3 351.498 3.238 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1[O-] ZINC000091687506 494646317 /nfs/dbraw/zinc/64/63/17/494646317.db2.gz AYBWCNASPSLVCB-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1[O-] ZINC000121035916 495508758 /nfs/dbraw/zinc/50/87/58/495508758.db2.gz DTZXOQLCVYTKES-UHFFFAOYSA-N 0 3 360.498 3.406 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1[O-] ZINC000155240029 495887739 /nfs/dbraw/zinc/88/77/39/495887739.db2.gz PVVAKBWOKGYGIQ-NRFANRHFSA-N 0 3 353.510 3.381 20 10 FGCDHN CCOc1cccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1O ZINC000186592602 496062398 /nfs/dbraw/zinc/06/23/98/496062398.db2.gz LCBCJJFQJLDWKG-UHFFFAOYSA-N 0 3 359.441 3.500 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1[O-] ZINC000186592602 496062403 /nfs/dbraw/zinc/06/24/03/496062403.db2.gz LCBCJJFQJLDWKG-UHFFFAOYSA-N 0 3 359.441 3.500 20 10 FGCDHN COc1cccc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c1[O-] ZINC000184173260 496270860 /nfs/dbraw/zinc/27/08/60/496270860.db2.gz OIUOKODBJATXPU-UHFFFAOYSA-N 0 3 357.385 3.312 20 10 FGCDHN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[O-] ZINC000187156897 496317541 /nfs/dbraw/zinc/31/75/41/496317541.db2.gz XOPCEEBQOFKOJJ-QGZVFWFLSA-N 0 3 354.450 3.082 20 10 FGCDHN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[O-] ZINC000187156897 496317545 /nfs/dbraw/zinc/31/75/45/496317545.db2.gz XOPCEEBQOFKOJJ-QGZVFWFLSA-N 0 3 354.450 3.082 20 10 FGCDHN COc1ccc(N2CCN(CCCN[C@H](C)c3cncs3)CC2)cc1 ZINC000162803340 496415611 /nfs/dbraw/zinc/41/56/11/496415611.db2.gz SZYRKBIQVAHPTO-MRXNPFEDSA-N 0 3 360.527 3.015 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1[O-] ZINC000184711441 496503287 /nfs/dbraw/zinc/50/32/87/496503287.db2.gz MSFDXKQPANAQQQ-UHFFFAOYSA-N 0 3 368.905 3.179 20 10 FGCDHN C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185023641 496627106 /nfs/dbraw/zinc/62/71/06/496627106.db2.gz JNSDPVXRCVZQRB-OAHLLOKOSA-N 0 3 352.482 3.381 20 10 FGCDHN C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000165028171 496645362 /nfs/dbraw/zinc/64/53/62/496645362.db2.gz NXODSEQNTRGOPQ-INIZCTEOSA-N 0 3 371.456 3.342 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000179052785 496658940 /nfs/dbraw/zinc/65/89/40/496658940.db2.gz ZZZHPCQFUONCPV-SFHVURJKSA-N 0 3 368.477 3.319 20 10 FGCDHN Cc1ccc([C@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1C ZINC000273464303 496814103 /nfs/dbraw/zinc/81/41/03/496814103.db2.gz QWIUCTMICSIMAS-LPHOPBHVSA-N 0 3 353.466 3.246 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c([O-])c1C ZINC000273464303 496814110 /nfs/dbraw/zinc/81/41/10/496814110.db2.gz QWIUCTMICSIMAS-LPHOPBHVSA-N 0 3 353.466 3.246 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c([O-])c1 ZINC000274963254 497206343 /nfs/dbraw/zinc/20/63/43/497206343.db2.gz UUAHKXGHBCZYHM-UHFFFAOYSA-N 0 3 370.497 3.488 20 10 FGCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278895001 497259079 /nfs/dbraw/zinc/25/90/79/497259079.db2.gz YVQPYOIXZZFCJX-OLZOCXBDSA-N 0 3 360.329 3.376 20 10 FGCDHN CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000280126052 497657471 /nfs/dbraw/zinc/65/74/71/497657471.db2.gz OPHANKUHJCSJDM-KDOFPFPSSA-N 0 3 362.495 3.411 20 10 FGCDHN COc1cc([O-])c(C[NH2+]CCCCC(=O)OCc2ccccc2)cc1OC ZINC000272760030 497723448 /nfs/dbraw/zinc/72/34/48/497723448.db2.gz PWUHWAZZURSKJQ-UHFFFAOYSA-N 0 3 373.449 3.413 20 10 FGCDHN CN1CC[NH+](CC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000289440399 498146692 /nfs/dbraw/zinc/14/66/92/498146692.db2.gz LVAVARAZHZLSMU-UHFFFAOYSA-N 0 3 372.340 3.158 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282550472 498555020 /nfs/dbraw/zinc/55/50/20/498555020.db2.gz XDIHYMUQKNPVOB-GDBMZVCRSA-N 0 3 355.438 3.358 20 10 FGCDHN Clc1cncnc1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000302786929 498574335 /nfs/dbraw/zinc/57/43/35/498574335.db2.gz WKXWPBNJQYVRAX-UHFFFAOYSA-N 0 3 357.889 3.274 20 10 FGCDHN CS(=O)(=O)C1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000294106697 498591564 /nfs/dbraw/zinc/59/15/64/498591564.db2.gz JRZLSLQAGCXNFC-SFHVURJKSA-N 0 3 359.491 3.233 20 10 FGCDHN CN(C)c1ccc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1F ZINC000282920278 498709955 /nfs/dbraw/zinc/70/99/55/498709955.db2.gz HGWFPCWMGFVTED-QGZVFWFLSA-N 0 3 356.445 3.288 20 10 FGCDHN CCCCN(Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccccc1O ZINC000282954563 498724091 /nfs/dbraw/zinc/72/40/91/498724091.db2.gz HNHXBVDNFYRDPO-UHFFFAOYSA-N 0 3 372.513 3.073 20 10 FGCDHN COc1cc(O)c(CN[C@H](CN(C)C)c2ccc(Cl)cc2)cc1OC ZINC000283079967 498771812 /nfs/dbraw/zinc/77/18/12/498771812.db2.gz RDDUOAXQRPXPMU-MRXNPFEDSA-N 0 3 364.873 3.455 20 10 FGCDHN O[C@@H](c1ncc[nH]1)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000366277971 498854729 /nfs/dbraw/zinc/85/47/29/498854729.db2.gz DAJDKIZRFXXZKE-HXUWFJFHSA-N 0 3 354.498 3.346 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1[O-] ZINC000363851445 499025098 /nfs/dbraw/zinc/02/50/98/499025098.db2.gz IJMSEFZDGLLBOD-DOMZBBRYSA-N 0 3 360.433 3.107 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000364057798 499103181 /nfs/dbraw/zinc/10/31/81/499103181.db2.gz QVAJZCMDAAXUFU-SJORKVTESA-N 0 3 370.287 3.458 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1[O-] ZINC000367068207 499143193 /nfs/dbraw/zinc/14/31/93/499143193.db2.gz PXTZTGHJAOLRSJ-JMPLFQLZSA-N 0 3 367.287 3.171 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000372597135 499151352 /nfs/dbraw/zinc/15/13/52/499151352.db2.gz XGAJVIUFCCDRBM-KBXCAEBGSA-N 0 3 358.482 3.185 20 10 FGCDHN CCOc1cccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[O-] ZINC000370405624 499217032 /nfs/dbraw/zinc/21/70/32/499217032.db2.gz KZGIFEHJCZKVJM-PXNSSMCTSA-N 0 3 355.482 3.311 20 10 FGCDHN CCOc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[O-] ZINC000370405624 499217033 /nfs/dbraw/zinc/21/70/33/499217033.db2.gz KZGIFEHJCZKVJM-PXNSSMCTSA-N 0 3 355.482 3.311 20 10 FGCDHN NC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCCC1 ZINC000370780366 499253735 /nfs/dbraw/zinc/25/37/35/499253735.db2.gz OCHOJRXYLHTYCO-UHFFFAOYSA-N 0 3 367.440 3.035 20 10 FGCDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000368036063 499258337 /nfs/dbraw/zinc/25/83/37/499258337.db2.gz QHTXHOSZOFREJV-CYBMUJFWSA-N 0 3 362.861 3.415 20 10 FGCDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000368036063 499258338 /nfs/dbraw/zinc/25/83/38/499258338.db2.gz QHTXHOSZOFREJV-CYBMUJFWSA-N 0 3 362.861 3.415 20 10 FGCDHN CCOc1cccc(CN2CCCN(Cc3cnn(C(C)C)c3)CC2)c1O ZINC000371325205 499310284 /nfs/dbraw/zinc/31/02/84/499310284.db2.gz CJWCUUNURQNINL-UHFFFAOYSA-N 0 3 372.513 3.276 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1[O-] ZINC000368654959 499318025 /nfs/dbraw/zinc/31/80/25/499318025.db2.gz FIRZWXVSDKXIKM-MRXNPFEDSA-N 0 3 366.465 3.288 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1[O-] ZINC000368654959 499318026 /nfs/dbraw/zinc/31/80/26/499318026.db2.gz FIRZWXVSDKXIKM-MRXNPFEDSA-N 0 3 366.465 3.288 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000371416446 499323465 /nfs/dbraw/zinc/32/34/65/499323465.db2.gz MFUPVNIAJRBREV-UHFFFAOYSA-N 0 3 360.479 3.247 20 10 FGCDHN COc1cccc(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1O ZINC000371423381 499324981 /nfs/dbraw/zinc/32/49/81/499324981.db2.gz YXLKVKFMEZXXDV-IBGZPJMESA-N 0 3 352.434 3.349 20 10 FGCDHN COc1cccc(C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1[O-] ZINC000371423381 499324982 /nfs/dbraw/zinc/32/49/82/499324982.db2.gz YXLKVKFMEZXXDV-IBGZPJMESA-N 0 3 352.434 3.349 20 10 FGCDHN CCOCc1cc(CN[C@@H]2CCCc3cnn(CCOC)c32)ccc1OC ZINC000371952243 499383710 /nfs/dbraw/zinc/38/37/10/499383710.db2.gz DMOLUBLEHQJUMA-LJQANCHMSA-N 0 3 373.497 3.242 20 10 FGCDHN COCCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CCCc2cccnc21 ZINC000372236063 499411839 /nfs/dbraw/zinc/41/18/39/499411839.db2.gz KYJICRRUGZEEPJ-KRWDZBQOSA-N 0 3 372.465 3.330 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1[O-] ZINC000373036877 499448434 /nfs/dbraw/zinc/44/84/34/499448434.db2.gz NOJVJXSARZIMOD-CQSZACIVSA-N 0 3 357.292 3.079 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000373600493 499479135 /nfs/dbraw/zinc/47/91/35/499479135.db2.gz DBDHMHJXZQJQHH-GOSISDBHSA-N 0 3 360.479 3.273 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000373600493 499479134 /nfs/dbraw/zinc/47/91/34/499479134.db2.gz DBDHMHJXZQJQHH-GOSISDBHSA-N 0 3 360.479 3.273 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000373602203 499479291 /nfs/dbraw/zinc/47/92/91/499479291.db2.gz RVTTXLFGXWZWFV-LBPRGKRZSA-N 0 3 361.467 3.269 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000471736821 502123737 /nfs/dbraw/zinc/12/37/37/502123737.db2.gz MTZSZJWGNOLZIQ-UHFFFAOYSA-N 0 3 364.493 3.418 20 10 FGCDHN COc1cccc(CN2CCC(NC(=O)c3oc(C)cc3C)CC2)c1O ZINC000527586522 503843727 /nfs/dbraw/zinc/84/37/27/503843727.db2.gz GZNMUKDLOARRGZ-UHFFFAOYSA-N 0 3 358.438 3.005 20 10 FGCDHN CCOCc1cc(CN[C@]2(COC)COc3ccccc3C2)ccc1OC ZINC000527797573 503949130 /nfs/dbraw/zinc/94/91/30/503949130.db2.gz DTBPXGBVJWIJMP-JOCHJYFZSA-N 0 3 371.477 3.342 20 10 FGCDHN Cc1cc(C)c(O)c(C[N@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826263984 608488746 /nfs/dbraw/zinc/48/87/46/608488746.db2.gz YEJLHASZWLJIHK-UHFFFAOYSA-N 0 3 361.449 3.478 20 10 FGCDHN Cc1cc(C)c(O)c(C[N@@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826263984 608488748 /nfs/dbraw/zinc/48/87/48/608488748.db2.gz YEJLHASZWLJIHK-UHFFFAOYSA-N 0 3 361.449 3.478 20 10 FGCDHN CCC1(CO)CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093591586 700452462 /nfs/dbraw/zinc/45/24/62/700452462.db2.gz RZVCBUYSOVRYFD-UHFFFAOYSA-N 0 3 358.276 3.148 20 10 FGCDHN CCOc1cccc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000128449951 700775268 /nfs/dbraw/zinc/77/52/68/700775268.db2.gz ZWRPHXAYNCLZSP-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1[O-] ZINC000779060083 724385747 /nfs/dbraw/zinc/38/57/47/724385747.db2.gz CWHNGADHQAQQDV-YPMHNXCESA-N 0 3 350.260 3.325 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1F ZINC000769527796 723689095 /nfs/dbraw/zinc/68/90/95/723689095.db2.gz SCQLPUOBHUBGOT-SFHVURJKSA-N 0 3 350.478 3.442 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000715147049 722415739 /nfs/dbraw/zinc/41/57/39/722415739.db2.gz SPLWEDJJBKCVFD-YEORSEQZSA-N 0 3 370.877 3.447 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccncc2)c1[O-] ZINC000749295382 722723482 /nfs/dbraw/zinc/72/34/82/722723482.db2.gz MCEKPEQQMHHVGR-LLVKDONJSA-N 0 3 351.244 3.279 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000753572205 722905145 /nfs/dbraw/zinc/90/51/45/722905145.db2.gz VETMTIHZKIGZOH-HNNXBMFYSA-N 0 3 355.356 3.374 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000756122418 722961091 /nfs/dbraw/zinc/96/10/91/722961091.db2.gz QHKWDYFWKKTHCD-NSHDSACASA-N 0 3 373.291 3.466 20 10 FGCDHN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000756344937 722963120 /nfs/dbraw/zinc/96/31/20/722963120.db2.gz VAXSCTFDLGDIQJ-YOEHRIQHSA-N 0 3 363.502 3.232 20 10 FGCDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1 ZINC000759387142 723003766 /nfs/dbraw/zinc/00/37/66/723003766.db2.gz OBBAOCGRIJOQHA-WKTRQSJXSA-N 0 3 357.841 3.104 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000790965553 723200047 /nfs/dbraw/zinc/20/00/47/723200047.db2.gz PCFQTOHGVVVLCU-KRWDZBQOSA-N 0 3 361.873 3.203 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](CSc3ccccc3)C1)[C@H](O)CO2 ZINC000768466140 723658497 /nfs/dbraw/zinc/65/84/97/723658497.db2.gz MUAIUAUUJIUPJH-AUUYWEPGSA-N 0 3 357.475 3.432 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](CSc3ccccc3)C1)[C@H](O)CO2 ZINC000768466140 723658498 /nfs/dbraw/zinc/65/84/98/723658498.db2.gz MUAIUAUUJIUPJH-AUUYWEPGSA-N 0 3 357.475 3.432 20 10 FGCDHN Oc1cc2c(cc1CN1CC[C@@H](Oc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463441 723658503 /nfs/dbraw/zinc/65/85/03/723658503.db2.gz TYDTZWGOYAXAPN-DYVFJYSZSA-N 0 3 361.825 3.125 20 10 FGCDHN CC[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(N(C)C)cc1 ZINC000773038673 723774992 /nfs/dbraw/zinc/77/49/92/723774992.db2.gz BDOYUKMWOFHSKE-LJQANCHMSA-N 0 3 358.507 3.323 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000775167632 723967439 /nfs/dbraw/zinc/96/74/39/723967439.db2.gz KEFSBZWPFADREM-HNNXBMFYSA-N 0 3 354.219 3.425 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1[O-] ZINC000808675082 725212919 /nfs/dbraw/zinc/21/29/19/725212919.db2.gz VXWHSDRTWMTYLK-CRAIPNDOSA-N 0 3 353.938 3.277 20 10 FGCDHN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808682241 725213207 /nfs/dbraw/zinc/21/32/07/725213207.db2.gz PGSGLHFHVCUYKN-CYBMUJFWSA-N 0 3 362.857 3.330 20 10 FGCDHN CCc1nn(C)c(Cl)c1CNC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818222567 727302146 /nfs/dbraw/zinc/30/21/46/727302146.db2.gz UUFOJPVJWXTBNZ-AWEZNQCLSA-N 0 3 362.905 3.261 20 10 FGCDHN CC[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000824636932 729352224 /nfs/dbraw/zinc/35/22/24/729352224.db2.gz VEJYBJXYJWFFDC-CZUORRHYSA-N 0 3 357.401 3.079 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2(CF)CCOCC2)c1[O-] ZINC000824795041 729359161 /nfs/dbraw/zinc/35/91/61/729359161.db2.gz MDTZIUKCRVXMCE-UHFFFAOYSA-N 0 3 362.239 3.019 20 10 FGCDHN O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834798881 729835117 /nfs/dbraw/zinc/83/51/17/729835117.db2.gz QPDQLJSCALGDHB-HNNXBMFYSA-N 0 3 359.857 3.255 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCOCC2CCCC2)c1[O-] ZINC000835059230 729854113 /nfs/dbraw/zinc/85/41/13/729854113.db2.gz PLCQBILABYVHSF-UHFFFAOYSA-N 0 3 358.276 3.460 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1[O-] ZINC000835067911 729855385 /nfs/dbraw/zinc/85/53/85/729855385.db2.gz WVRJIDCNZNGUSQ-OAHLLOKOSA-N 0 3 370.877 3.080 20 10 FGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N(C)C)cc1C ZINC000840935708 730194066 /nfs/dbraw/zinc/19/40/66/730194066.db2.gz AYMDHAOPYJOIDH-GOSISDBHSA-N 0 3 360.523 3.403 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1[O-] ZINC000840962161 730197929 /nfs/dbraw/zinc/19/79/29/730197929.db2.gz GIDZLOVTABQAOY-UHFFFAOYSA-N 0 3 351.874 3.331 20 10 FGCDHN CCN[C@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841065709 730207545 /nfs/dbraw/zinc/20/75/45/730207545.db2.gz LSOJUIYXJUSDNL-MRVPVSSYSA-N 0 3 366.097 3.005 20 10 FGCDHN C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841748391 730270476 /nfs/dbraw/zinc/27/04/76/730270476.db2.gz XOUWVWGSURSLFU-CQSZACIVSA-N 0 3 360.889 3.043 20 10 FGCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(OC)c2O)s1 ZINC000846168692 730933163 /nfs/dbraw/zinc/93/31/63/730933163.db2.gz UBWAZEFCVZJUDR-LLVKDONJSA-N 0 3 355.481 3.107 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000848531503 731176236 /nfs/dbraw/zinc/17/62/36/731176236.db2.gz PHQDZAQJGWRZKR-NWDGAFQWSA-N 0 3 357.292 3.156 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)c1[O-] ZINC000848535044 731177255 /nfs/dbraw/zinc/17/72/55/731177255.db2.gz CLHYFNGJGFEOMP-KOLCDFICSA-N 0 3 368.275 3.477 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000848551893 731180211 /nfs/dbraw/zinc/18/02/11/731180211.db2.gz FEGPQXRRCYKWAT-UHIISALHSA-N 0 3 358.276 3.365 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848569607 731183446 /nfs/dbraw/zinc/18/34/46/731183446.db2.gz FYJCUWXSMAAGPN-MFKMUULPSA-N 0 3 369.259 3.097 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000850563295 731373667 /nfs/dbraw/zinc/37/36/67/731373667.db2.gz VRQXTWXTOVQDAW-DZGCQCFKSA-N 0 3 351.878 3.295 20 10 FGCDHN CN(C)c1cc(F)c(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1F ZINC000858136980 732184599 /nfs/dbraw/zinc/18/45/99/732184599.db2.gz BTGICFLGGXBECY-GOSISDBHSA-N 0 3 356.363 3.306 20 10 FGCDHN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000858470637 732217942 /nfs/dbraw/zinc/21/79/42/732217942.db2.gz KBRUTMDSJNOYCG-CABZTGNLSA-N 0 3 370.243 3.076 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN(C)CC(F)F)c1[O-] ZINC000858596488 732229813 /nfs/dbraw/zinc/22/98/13/732229813.db2.gz JABVMZSGMDGXGO-VIFPVBQESA-N 0 3 367.234 3.011 20 10 FGCDHN CCc1cccc(CNCc2cc(Br)cnc2OC)c1O ZINC000862484129 732840167 /nfs/dbraw/zinc/84/01/67/732840167.db2.gz DCXQZTDFKUVSEF-UHFFFAOYSA-N 0 3 351.244 3.411 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1[O-] ZINC000866447204 733350748 /nfs/dbraw/zinc/35/07/48/733350748.db2.gz WWUXIDUACDKVCA-BKPHSKEQSA-N 0 3 368.271 3.237 20 10 FGCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000876649430 736126496 /nfs/dbraw/zinc/12/64/96/736126496.db2.gz VXEQZDGAMUZWSF-UHFFFAOYSA-N 0 3 358.507 3.333 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2c(C)cccc2O)s1 ZINC000876983512 736170211 /nfs/dbraw/zinc/17/02/11/736170211.db2.gz XOADKIBDPCCLJK-UHFFFAOYSA-N 0 3 368.524 3.082 20 10 FGCDHN COc1cc(CNCc2ccc(C)cc2O)c(Br)cc1O ZINC000877607470 736691491 /nfs/dbraw/zinc/69/14/91/736691491.db2.gz CZUJSXLRGMYFME-UHFFFAOYSA-N 0 3 352.228 3.467 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C(F)(F)F)N(C)C)cc1 ZINC000891246400 739885780 /nfs/dbraw/zinc/88/57/80/739885780.db2.gz CCYVPAKTCZAPNT-HNNXBMFYSA-N 0 3 359.436 3.450 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CCC(F)(F)CC2)N(C)C)cc1 ZINC000891247416 739886067 /nfs/dbraw/zinc/88/60/67/739886067.db2.gz HBNNTQRSIGKZNU-QGZVFWFLSA-N 0 3 353.457 3.297 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC(F)(F)C2)N(C)C)cc1 ZINC000891249570 739886553 /nfs/dbraw/zinc/88/65/53/739886553.db2.gz RNFZDSQCUPYBFH-RDJZCZTQSA-N 0 3 353.457 3.297 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC[C@H](Cc3nc(C)no3)C2)c1O ZINC000897576836 742691596 /nfs/dbraw/zinc/69/15/96/742691596.db2.gz KPHQTNNCEUBACQ-GFCCVEGCSA-N 0 3 351.834 3.200 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000922892797 759023736 /nfs/dbraw/zinc/02/37/36/759023736.db2.gz CISOKHGIVGMWJA-OAHLLOKOSA-N 0 3 368.275 3.384 20 10 FGCDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)cn1 ZINC000925160662 759457016 /nfs/dbraw/zinc/45/70/16/759457016.db2.gz MLRRFHLOCLUNML-ZIAGYGMSSA-N 0 3 350.413 3.341 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCSCC2)c1[O-] ZINC000779024515 724381970 /nfs/dbraw/zinc/38/19/70/724381970.db2.gz OOJYBHVMLFNXKX-LBPRGKRZSA-N 0 3 359.333 3.163 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCSCC2)c1[O-] ZINC000779024514 724382087 /nfs/dbraw/zinc/38/20/87/724382087.db2.gz OOJYBHVMLFNXKX-GFCCVEGCSA-N 0 3 359.333 3.163 20 10 FGCDHN CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779051462 724384730 /nfs/dbraw/zinc/38/47/30/724384730.db2.gz HVGPLUGFXAWDDR-DGCLKSJQSA-N 0 3 371.275 3.345 20 10 FGCDHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000089618948 494332366 /nfs/dbraw/zinc/33/23/66/494332366.db2.gz FHVHHHUECBMPDM-WMLDXEAASA-N 0 3 369.431 3.491 20 10 FGCDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000074336990 494521646 /nfs/dbraw/zinc/52/16/46/494521646.db2.gz ZRLYLKOVXDSRQH-INIZCTEOSA-N 0 3 353.466 3.332 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)N(C)C[C@H]3CCCN(C)C3)cc2)CC1 ZINC000115824894 494633427 /nfs/dbraw/zinc/63/34/27/494633427.db2.gz AXCBCPMBNODCHV-FQEVSTJZSA-N 0 3 372.557 3.406 20 10 FGCDHN CCC[N@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccccc1[O-] ZINC000092705001 494716929 /nfs/dbraw/zinc/71/69/29/494716929.db2.gz BNECAGSPJUZFGE-UHFFFAOYSA-N 0 3 359.470 3.181 20 10 FGCDHN CCC[N@@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccccc1[O-] ZINC000092705001 494716934 /nfs/dbraw/zinc/71/69/34/494716934.db2.gz BNECAGSPJUZFGE-UHFFFAOYSA-N 0 3 359.470 3.181 20 10 FGCDHN CCN1CCN([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)CC1 ZINC000093132883 494830927 /nfs/dbraw/zinc/83/09/27/494830927.db2.gz UFCNTTXDWDDUKK-QFIPXVFZSA-N 0 3 365.521 3.271 20 10 FGCDHN CCN1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)CC1 ZINC000093132883 494830932 /nfs/dbraw/zinc/83/09/32/494830932.db2.gz UFCNTTXDWDDUKK-QFIPXVFZSA-N 0 3 365.521 3.271 20 10 FGCDHN CCn1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000112098285 495143398 /nfs/dbraw/zinc/14/33/98/495143398.db2.gz MTZIFPQVAPZXFL-UHFFFAOYSA-N 0 3 350.413 3.263 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(F)cc1[O-] ZINC000185651528 495662793 /nfs/dbraw/zinc/66/27/93/495662793.db2.gz UPVADUDHUNZEQW-OAHLLOKOSA-N 0 3 358.457 3.339 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000152063039 496036357 /nfs/dbraw/zinc/03/63/57/496036357.db2.gz WNVBOTADIQATBS-AWEZNQCLSA-N 0 3 358.413 3.242 20 10 FGCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000180724239 496119260 /nfs/dbraw/zinc/11/92/60/496119260.db2.gz ZJISEAYNJVFIEQ-IQIBNGDESA-N 0 3 372.490 3.201 20 10 FGCDHN COc1ccc(N2CCC(N[C@@H](C)C(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000156284477 496205789 /nfs/dbraw/zinc/20/57/89/496205789.db2.gz NAVNHDKKYDUZIK-IRXDYDNUSA-N 0 3 359.514 3.043 20 10 FGCDHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000187113730 496299418 /nfs/dbraw/zinc/29/94/18/496299418.db2.gz CNMSPAMRPCBKSW-RDJZCZTQSA-N 0 3 354.450 3.223 20 10 FGCDHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000187113730 496299420 /nfs/dbraw/zinc/29/94/20/496299420.db2.gz CNMSPAMRPCBKSW-RDJZCZTQSA-N 0 3 354.450 3.223 20 10 FGCDHN CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000187173568 496324959 /nfs/dbraw/zinc/32/49/59/496324959.db2.gz WLFXBEGTTBSWFQ-LBPRGKRZSA-N 0 3 369.303 3.372 20 10 FGCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cnc4cnccn34)C2)cc1 ZINC000156926869 496367099 /nfs/dbraw/zinc/36/70/99/496367099.db2.gz ZFBJYLXFHCYSCY-CQSZACIVSA-N 0 3 373.407 3.089 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000187371094 496414825 /nfs/dbraw/zinc/41/48/25/496414825.db2.gz ROAROXWGGVPZFE-GXFFZTMASA-N 0 3 350.260 3.394 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000184965334 496603160 /nfs/dbraw/zinc/60/31/60/496603160.db2.gz FBETULJFFJFFQL-KRWDZBQOSA-N 0 3 367.493 3.454 20 10 FGCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109592 496664553 /nfs/dbraw/zinc/66/45/53/496664553.db2.gz CUOCHUGVGZPSOM-CHWSQXEVSA-N 0 3 366.458 3.193 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000185260483 496720014 /nfs/dbraw/zinc/72/00/14/496720014.db2.gz DRFFXHWSAKMJIT-UZLBHIALSA-N 0 3 368.477 3.285 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(N3CCOCC3)nc2)cc1 ZINC000268759503 496775844 /nfs/dbraw/zinc/77/58/44/496775844.db2.gz MSBNRSWJCSPLEK-KRWDZBQOSA-N 0 3 354.498 3.225 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c([O-])c1 ZINC000273374882 496787939 /nfs/dbraw/zinc/78/79/39/496787939.db2.gz HAVYDGAHJXKFIU-MRXNPFEDSA-N 0 3 354.450 3.024 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273417086 496800755 /nfs/dbraw/zinc/80/07/55/496800755.db2.gz RAZOPGWXHFPUDE-CQSZACIVSA-N 0 3 359.426 3.092 20 10 FGCDHN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264574496 496932944 /nfs/dbraw/zinc/93/29/44/496932944.db2.gz IGQRDJAMCRGKDZ-HXUWFJFHSA-N 0 3 356.514 3.057 20 10 FGCDHN CC1CCN([C@@H](CNC(=O)Cc2ccc(N)cc2)c2cccs2)CC1 ZINC000236651778 497127970 /nfs/dbraw/zinc/12/79/70/497127970.db2.gz AKNCXCARNRVACB-SFHVURJKSA-N 0 3 357.523 3.462 20 10 FGCDHN O=C(NCCc1ccc(O)c(O)c1)c1ccc(CN2CCCCC2)cc1 ZINC000270526701 497145450 /nfs/dbraw/zinc/14/54/50/497145450.db2.gz CEWZZQSHUMAXGV-UHFFFAOYSA-N 0 3 354.450 3.056 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236917709 497168802 /nfs/dbraw/zinc/16/88/02/497168802.db2.gz ZEJQLQSXPZDBEK-BXUZGUMPSA-N 0 3 355.276 3.021 20 10 FGCDHN Cc1n[nH]c(C)c1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266148422 497267511 /nfs/dbraw/zinc/26/75/11/497267511.db2.gz JJUIKZOMIAVGGI-AWEZNQCLSA-N 0 3 350.413 3.387 20 10 FGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1O ZINC000267298845 497519134 /nfs/dbraw/zinc/51/91/34/497519134.db2.gz FFYCUUUYXPLCGF-LPHOPBHVSA-N 0 3 353.466 3.102 20 10 FGCDHN O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000276840415 497668298 /nfs/dbraw/zinc/66/82/98/497668298.db2.gz SMHGILXFHNKDBE-LJQANCHMSA-N 0 3 366.461 3.168 20 10 FGCDHN O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000276840415 497668302 /nfs/dbraw/zinc/66/83/02/497668302.db2.gz SMHGILXFHNKDBE-LJQANCHMSA-N 0 3 366.461 3.168 20 10 FGCDHN CC(=O)c1cc(F)cc(CN2CCC3(C[C@H]3c3nnc(C)o3)CC2)c1O ZINC000364204769 497839808 /nfs/dbraw/zinc/83/98/08/497839808.db2.gz DKCJTXOLQQNBNK-INIZCTEOSA-N 0 3 359.401 3.195 20 10 FGCDHN C[C@H]1CN(Cc2cccc(C[NH2+][C@H]3CCc4cccc([O-])c43)c2)CCO1 ZINC000296033785 497899174 /nfs/dbraw/zinc/89/91/74/497899174.db2.gz QGEJLMMWMFGWRH-JXFKEZNVSA-N 0 3 352.478 3.390 20 10 FGCDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1CO)c1ccc(N2CCOCC2)cc1 ZINC000364584182 498036425 /nfs/dbraw/zinc/03/64/25/498036425.db2.gz VLIHWOLFBBXVJP-WGGBDISSSA-N 0 3 366.505 3.470 20 10 FGCDHN COc1cccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000293440957 498386058 /nfs/dbraw/zinc/38/60/58/498386058.db2.gz OQWVKYHRONIBEC-UHFFFAOYSA-N 0 3 369.870 3.008 20 10 FGCDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282205170 498422626 /nfs/dbraw/zinc/42/26/26/498422626.db2.gz HARQGNGWFOBOLA-LBPRGKRZSA-N 0 3 360.329 3.376 20 10 FGCDHN COc1cc(Cl)cc(CN[C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293650391 498442421 /nfs/dbraw/zinc/44/24/21/498442421.db2.gz MZLVDYOSZQOLDB-KRWDZBQOSA-N 0 3 350.846 3.299 20 10 FGCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293779614 498486782 /nfs/dbraw/zinc/48/67/82/498486782.db2.gz QBKWYCZZYGFGTB-UGKGYDQZSA-N 0 3 367.537 3.292 20 10 FGCDHN COCCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000282495143 498533771 /nfs/dbraw/zinc/53/37/71/498533771.db2.gz HXUDJRUDFNADGY-GFCCVEGCSA-N 0 3 368.275 3.157 20 10 FGCDHN Cn1cc([C@H]2[C@H](C[NH2+]Cc3c([O-])ccc4ccccc43)CCCN2C)cn1 ZINC000363176194 498686999 /nfs/dbraw/zinc/68/69/99/498686999.db2.gz GMRVDHVEAZNQSI-HTAPYJJXSA-N 0 3 364.493 3.452 20 10 FGCDHN CC(C)(O)c1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000295054727 498894734 /nfs/dbraw/zinc/89/47/34/498894734.db2.gz AXOCHFMNJXXPDE-UHFFFAOYSA-N 0 3 372.484 3.304 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363750106 498974254 /nfs/dbraw/zinc/97/42/54/498974254.db2.gz MFZWNFJGROLKLS-APWZRJJASA-N 0 3 352.482 3.103 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c([O-])c1C ZINC000363860961 499029072 /nfs/dbraw/zinc/02/90/72/499029072.db2.gz VXMWMMSPONPHCQ-ZWOKBUDYSA-N 0 3 356.514 3.476 20 10 FGCDHN C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)C1 ZINC000367354243 499187027 /nfs/dbraw/zinc/18/70/27/499187027.db2.gz UCHLJTJGXZPIFX-MRXNPFEDSA-N 0 3 361.505 3.362 20 10 FGCDHN C[C@@H](NCc1cnc2n1CCCC2)c1ccc(N2CCC(O)CC2)cc1 ZINC000367439210 499199105 /nfs/dbraw/zinc/19/91/05/499199105.db2.gz SERGCPOTUNDWIO-MRXNPFEDSA-N 0 3 354.498 3.031 20 10 FGCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1[O-] ZINC000367546042 499210696 /nfs/dbraw/zinc/21/06/96/499210696.db2.gz BJGRJUQVAVSRPP-RDTXWAMCSA-N 0 3 360.479 3.304 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000370409695 499218115 /nfs/dbraw/zinc/21/81/15/499218115.db2.gz IBYVQXQXCOXTOJ-UWJYYQICSA-N 0 3 355.482 3.311 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000370409695 499218116 /nfs/dbraw/zinc/21/81/16/499218116.db2.gz IBYVQXQXCOXTOJ-UWJYYQICSA-N 0 3 355.482 3.311 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1OC ZINC000370649683 499239843 /nfs/dbraw/zinc/23/98/43/499239843.db2.gz GFWFRCIOQGNOJI-MRXNPFEDSA-N 0 3 356.466 3.416 20 10 FGCDHN CCc1nc(CN2CCC[C@H]([N@H+](C)[C@H](C)c3cc(OC)ccc3[O-])C2)no1 ZINC000368030321 499257257 /nfs/dbraw/zinc/25/72/57/499257257.db2.gz MYBOKLKAWSBSDR-CABCVRRESA-N 0 3 374.485 3.004 20 10 FGCDHN CCc1nc(CN2CCC[C@H]([N@@H+](C)[C@H](C)c3cc(OC)ccc3[O-])C2)no1 ZINC000368030321 499257260 /nfs/dbraw/zinc/25/72/60/499257260.db2.gz MYBOKLKAWSBSDR-CABCVRRESA-N 0 3 374.485 3.004 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CCN(C)[C@@H]4C3)ccc21 ZINC000368588868 499310806 /nfs/dbraw/zinc/31/08/06/499310806.db2.gz HHEDLBSXZNVHCQ-LAUBAEHRSA-N 0 3 369.509 3.071 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1 ZINC000371870240 499373790 /nfs/dbraw/zinc/37/37/90/499373790.db2.gz OOJXTZMKWPHTLV-INIZCTEOSA-N 0 3 354.450 3.163 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000373602201 499479313 /nfs/dbraw/zinc/47/93/13/499479313.db2.gz RVTTXLFGXWZWFV-GFCCVEGCSA-N 0 3 361.467 3.269 20 10 FGCDHN CCC[C@@](C)(N)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000378202673 499490085 /nfs/dbraw/zinc/49/00/85/499490085.db2.gz GWZKLIGISJKYQF-QGZVFWFLSA-N 0 3 373.419 3.188 20 10 FGCDHN CCc1nccc([C@H]2CCCN(Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000378436876 499516498 /nfs/dbraw/zinc/51/64/98/499516498.db2.gz DQOPYAQCGSZPKB-AWEZNQCLSA-N 0 3 357.454 3.141 20 10 FGCDHN CCc1nccc([C@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3[O-])C2)n1 ZINC000378436876 499516500 /nfs/dbraw/zinc/51/65/00/499516500.db2.gz DQOPYAQCGSZPKB-AWEZNQCLSA-N 0 3 357.454 3.141 20 10 FGCDHN CCc1nccc([C@H]2CCC[N@@H+](Cc3cc(OC)c(OC)cc3[O-])C2)n1 ZINC000378436876 499516502 /nfs/dbraw/zinc/51/65/02/499516502.db2.gz DQOPYAQCGSZPKB-AWEZNQCLSA-N 0 3 357.454 3.141 20 10 FGCDHN Cc1nc(CN2CCC[C@H]([NH2+][C@@H](C)c3cc4c(cc3[O-])CCCC4)C2)no1 ZINC000376304784 499599129 /nfs/dbraw/zinc/59/91/29/499599129.db2.gz HDYYNVHCQVXPIH-KSSFIOAISA-N 0 3 370.497 3.278 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]3CN(C)C)ccc21 ZINC000427717193 500423819 /nfs/dbraw/zinc/42/38/19/500423819.db2.gz FEGVGVHPNYBBBP-GOSISDBHSA-N 0 3 357.498 3.071 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCN(C)[C@@H](C)C3)ccc21 ZINC000607689958 506227602 /nfs/dbraw/zinc/22/76/02/506227602.db2.gz USAIYWOLXFRVDG-KSSFIOAISA-N 0 3 357.498 3.117 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000779052500 724384849 /nfs/dbraw/zinc/38/48/49/724384849.db2.gz RESXHTKHXIZHQV-BLLLJJGKSA-N 0 3 372.303 3.291 20 10 FGCDHN [O-]c1c(Cl)cc(Cl)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248087 503893324 /nfs/dbraw/zinc/89/33/24/503893324.db2.gz FQYKWQLFFJBQQB-HNNXBMFYSA-N 0 3 359.297 3.290 20 10 FGCDHN C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824590210 609335744 /nfs/dbraw/zinc/33/57/44/609335744.db2.gz AIMNEOKCNRMJGX-JTQLQIEISA-N 0 3 364.475 3.295 20 10 FGCDHN C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824590210 609335746 /nfs/dbraw/zinc/33/57/46/609335746.db2.gz AIMNEOKCNRMJGX-JTQLQIEISA-N 0 3 364.475 3.295 20 10 FGCDHN Cn1c2ccc(CNCc3ccc4c(c3)CCCN4C)cc2sc1=O ZINC000192516163 712865435 /nfs/dbraw/zinc/86/54/35/712865435.db2.gz ZYHBGVSCCMZDFF-UHFFFAOYSA-N 0 3 353.491 3.272 20 10 FGCDHN CC[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000380975862 713977645 /nfs/dbraw/zinc/97/76/45/713977645.db2.gz BDORCTHDTZSGCV-GOEBONIOSA-N 0 3 350.459 3.069 20 10 FGCDHN CN1C(=O)C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000779100753 724390067 /nfs/dbraw/zinc/39/00/67/724390067.db2.gz SDBNPMSLMFVRIZ-QAPCUYQASA-N 0 3 366.795 3.385 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](CCN(C)C)C2CCCC2)c1[O-] ZINC000779172671 724397601 /nfs/dbraw/zinc/39/76/01/724397601.db2.gz SOHXVCRLTHRPEP-UHFFFAOYSA-N 0 3 371.319 3.470 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](CCN(C)C)C2CCCC2)c1[O-] ZINC000779172671 724397604 /nfs/dbraw/zinc/39/76/04/724397604.db2.gz SOHXVCRLTHRPEP-UHFFFAOYSA-N 0 3 371.319 3.470 20 10 FGCDHN COc1cc(Br)cc(CN2CCCC[C@H]2C[C@H](C)O)c1O ZINC000790934657 723195927 /nfs/dbraw/zinc/19/59/27/723195927.db2.gz QPABRMDJQHGFTB-FZMZJTMJSA-N 0 3 358.276 3.289 20 10 FGCDHN COc1cc(Br)cc(CN2CCC(CCCO)CC2)c1O ZINC000783599462 724770357 /nfs/dbraw/zinc/77/03/57/724770357.db2.gz NYBSFSSMFYZPFS-UHFFFAOYSA-N 0 3 358.276 3.148 20 10 FGCDHN Cc1ccc(O)c([C@@H](C)NCc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC000756443746 722964718 /nfs/dbraw/zinc/96/47/18/722964718.db2.gz IIEVJKIUSAEECU-OAHLLOKOSA-N 0 3 362.495 3.238 20 10 FGCDHN COc1ccc(N2CCCN(Cc3cccc4nsnc43)CC2)cc1 ZINC000766017166 723551510 /nfs/dbraw/zinc/55/15/10/723551510.db2.gz DFSIOYKHGLAFQA-UHFFFAOYSA-N 0 3 354.479 3.412 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1[O-] ZINC000766225432 723562751 /nfs/dbraw/zinc/56/27/51/723562751.db2.gz PXJVPSRZOHKOFG-OAHLLOKOSA-N 0 3 369.303 3.270 20 10 FGCDHN CC(C)[NH+]1CCC(N2CCN(Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000769537533 723689168 /nfs/dbraw/zinc/68/91/68/723689168.db2.gz LTERCMJADNNZOM-UHFFFAOYSA-N 0 3 351.922 3.036 20 10 FGCDHN C[C@H](NCc1cn(C)nc1C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000770668037 723718803 /nfs/dbraw/zinc/71/88/03/723718803.db2.gz UWILQOAIGQHAQB-ZDUSSCGKSA-N 0 3 350.413 3.045 20 10 FGCDHN Oc1cc2c(cc1CN1CC=C(c3ccc(Cl)nc3)CC1)[C@@H](O)CO2 ZINC000773252903 723780132 /nfs/dbraw/zinc/78/01/32/723780132.db2.gz SINIUJIRAQNEMH-KRWDZBQOSA-N 0 3 358.825 3.156 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC=C(c3ccc(Cl)nc3)CC1)[C@@H](O)CO2 ZINC000773252903 723780134 /nfs/dbraw/zinc/78/01/34/723780134.db2.gz SINIUJIRAQNEMH-KRWDZBQOSA-N 0 3 358.825 3.156 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC=C(c3ccc(Cl)nc3)CC1)[C@@H](O)CO2 ZINC000773252903 723780135 /nfs/dbraw/zinc/78/01/35/723780135.db2.gz SINIUJIRAQNEMH-KRWDZBQOSA-N 0 3 358.825 3.156 20 10 FGCDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000775258818 723974186 /nfs/dbraw/zinc/97/41/86/723974186.db2.gz JZLIPGZQUYXFKK-CQSZACIVSA-N 0 3 360.479 3.222 20 10 FGCDHN Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])c1 ZINC000786579172 724989781 /nfs/dbraw/zinc/98/97/81/724989781.db2.gz MXEZFGMBEVACAX-QGZVFWFLSA-N 0 3 364.283 3.465 20 10 FGCDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788817216 725089634 /nfs/dbraw/zinc/08/96/34/725089634.db2.gz XWCMHBSHVSUIGR-ZDUSSCGKSA-N 0 3 359.436 3.088 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC000809772362 725267507 /nfs/dbraw/zinc/26/75/07/725267507.db2.gz ULANRFNVQXVLDK-BBRMVZONSA-N 0 3 350.459 3.278 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([O-])c1 ZINC000809772362 725267508 /nfs/dbraw/zinc/26/75/08/725267508.db2.gz ULANRFNVQXVLDK-BBRMVZONSA-N 0 3 350.459 3.278 20 10 FGCDHN CCOc1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c1 ZINC000809772362 725267509 /nfs/dbraw/zinc/26/75/09/725267509.db2.gz ULANRFNVQXVLDK-BBRMVZONSA-N 0 3 350.459 3.278 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000824203638 729323974 /nfs/dbraw/zinc/32/39/74/729323974.db2.gz WUXDPDAOWZQSDZ-GOSISDBHSA-N 0 3 353.495 3.423 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000825133315 729372351 /nfs/dbraw/zinc/37/23/51/729372351.db2.gz DAIGBNHPSNLAGR-ZDUSSCGKSA-N 0 3 368.246 3.235 20 10 FGCDHN COC[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000825321516 729378732 /nfs/dbraw/zinc/37/87/32/729378732.db2.gz GDZPCVHTDXDEFK-LBPRGKRZSA-N 0 3 358.276 3.412 20 10 FGCDHN COC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000825321516 729378733 /nfs/dbraw/zinc/37/87/33/729378733.db2.gz GDZPCVHTDXDEFK-LBPRGKRZSA-N 0 3 358.276 3.412 20 10 FGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)CC2 ZINC000834783111 729833821 /nfs/dbraw/zinc/83/38/21/729833821.db2.gz CSGKMJNWCNKSOG-LRDDRELGSA-N 0 3 351.368 3.238 20 10 FGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)CC2 ZINC000834783110 729833939 /nfs/dbraw/zinc/83/39/39/729833939.db2.gz CSGKMJNWCNKSOG-BLLLJJGKSA-N 0 3 351.368 3.238 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000834798452 729834810 /nfs/dbraw/zinc/83/48/10/729834810.db2.gz GIGCYQWHIIJXLH-NQBHXWOUSA-N 0 3 360.483 3.046 20 10 FGCDHN CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H](O)C(F)F ZINC000834875851 729840880 /nfs/dbraw/zinc/84/08/80/729840880.db2.gz UUHKJKRDWFGRCY-KNXALSJPSA-N 0 3 362.848 3.232 20 10 FGCDHN CCN(CC)c1ccc(CN2CC[C@](C(=O)NC)(C(F)(F)F)C2)cc1 ZINC000843432014 730620753 /nfs/dbraw/zinc/62/07/53/730620753.db2.gz HQVTZVUMJNGARC-KRWDZBQOSA-N 0 3 357.420 3.033 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccnc2)c1[O-] ZINC000848514433 731173742 /nfs/dbraw/zinc/17/37/42/731173742.db2.gz OHISNBLJZNAKSU-LLVKDONJSA-N 0 3 354.248 3.101 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c1[O-] ZINC000848527919 731175482 /nfs/dbraw/zinc/17/54/82/731175482.db2.gz IFBSBFNOKMEYHB-GHMZBOCLSA-N 0 3 357.292 3.297 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c1[O-] ZINC000848527921 731175497 /nfs/dbraw/zinc/17/54/97/731175497.db2.gz IFBSBFNOKMEYHB-QWRGUYRKSA-N 0 3 357.292 3.297 20 10 FGCDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848545950 731179223 /nfs/dbraw/zinc/17/92/23/731179223.db2.gz OAJIOGJEBVTLED-WDBKCZKBSA-N 0 3 374.275 3.008 20 10 FGCDHN COc1cncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000850137305 731324526 /nfs/dbraw/zinc/32/45/26/731324526.db2.gz MHNSNEAJHAJDPL-QGZVFWFLSA-N 0 3 361.873 3.203 20 10 FGCDHN COc1ccc(N2CC[C@H](NCc3cnc([C@H]4CCCO4)s3)C2)cc1 ZINC000850347139 731345369 /nfs/dbraw/zinc/34/53/69/731345369.db2.gz OGZLSWNVCSBTST-KBXCAEBGSA-N 0 3 359.495 3.372 20 10 FGCDHN CN(C)c1ccc(/C=C\CNCC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000850376399 731349950 /nfs/dbraw/zinc/34/99/50/731349950.db2.gz IAJZHOAJYXVPPZ-FPLPWBNLSA-N 0 3 350.528 3.103 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)c1[O-] ZINC000850545544 731371698 /nfs/dbraw/zinc/37/16/98/731371698.db2.gz HBDLIVIYNPYCEN-CMPLNLGQSA-N 0 3 358.276 3.223 20 10 FGCDHN CCN(CCNCc1cc(F)c(N(C)C)cc1F)CCC(F)(F)F ZINC000858160303 732187302 /nfs/dbraw/zinc/18/73/02/732187302.db2.gz HXNAKTVYRTTXND-UHFFFAOYSA-N 0 3 353.379 3.395 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000858284331 732200295 /nfs/dbraw/zinc/20/02/95/732200295.db2.gz FTHBULGWQYRYDB-KBPBESRZSA-N 0 3 350.459 3.278 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN(C)CC(F)F)c1[O-] ZINC000858596487 732229986 /nfs/dbraw/zinc/22/99/86/732229986.db2.gz JABVMZSGMDGXGO-SECBINFHSA-N 0 3 367.234 3.011 20 10 FGCDHN COc1cc(Cl)cc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541133 732847530 /nfs/dbraw/zinc/84/75/30/732847530.db2.gz MRWSSMIRMUGGKB-LLVKDONJSA-N 0 3 358.866 3.399 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000862541133 732847541 /nfs/dbraw/zinc/84/75/41/732847541.db2.gz MRWSSMIRMUGGKB-LLVKDONJSA-N 0 3 358.866 3.399 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000862541133 732847545 /nfs/dbraw/zinc/84/75/45/732847545.db2.gz MRWSSMIRMUGGKB-LLVKDONJSA-N 0 3 358.866 3.399 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)CC2(C)OCCO2)c1[O-] ZINC000865675126 733250083 /nfs/dbraw/zinc/25/00/83/733250083.db2.gz UBJWZOKBNOJPFY-LLVKDONJSA-N 0 3 374.275 3.042 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1[O-] ZINC000865762082 733264535 /nfs/dbraw/zinc/26/45/35/733264535.db2.gz LERUAIIWWNKVSP-BLLLJJGKSA-N 0 3 370.287 3.458 20 10 FGCDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N1Cc2cccc(O)c2C1 ZINC000875003593 735952467 /nfs/dbraw/zinc/95/24/67/735952467.db2.gz CERKLNLXTVLMCN-INIZCTEOSA-N 0 3 357.479 3.316 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@@H]1CCCOC1 ZINC000883353188 737556740 /nfs/dbraw/zinc/55/67/40/737556740.db2.gz PZDSKIQCJRVQET-RISCZKNCSA-N 0 3 358.276 3.458 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC23CCSCC3)N(C)C)cc1 ZINC000891247847 739885965 /nfs/dbraw/zinc/88/59/65/739885965.db2.gz KTPZVZCUMPCHGD-ROUUACIJSA-N 0 3 361.555 3.005 20 10 FGCDHN C[C@@H](NCc1sc(N2CCOCC2)nc1Cl)c1ccccc1O ZINC000895459694 742414512 /nfs/dbraw/zinc/41/45/12/742414512.db2.gz GEVVBIMVUKDYCC-LLVKDONJSA-N 0 3 353.875 3.190 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1[O-] ZINC000895822582 742457747 /nfs/dbraw/zinc/45/77/47/742457747.db2.gz ORFIVVHAAMGIJY-ZLHQLQKESA-N 0 3 355.862 3.116 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1[O-] ZINC000895822575 742457770 /nfs/dbraw/zinc/45/77/70/742457770.db2.gz ORFIVVHAAMGIJY-NZRMSGFPSA-N 0 3 355.862 3.116 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC3(CC2)C[C@H](O)CCO3)cc1F ZINC000897260771 742660132 /nfs/dbraw/zinc/66/01/32/742660132.db2.gz MXLNWODGXRIKDS-QGZVFWFLSA-N 0 3 350.478 3.178 20 10 FGCDHN COc1ccc(O)c(CN[C@](C)(CO)c2cccc(Br)c2)c1 ZINC000898168517 742752354 /nfs/dbraw/zinc/75/23/54/742752354.db2.gz IAESQIAWFCVHDF-QGZVFWFLSA-N 0 3 366.255 3.161 20 10 FGCDHN C[C@@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc(F)ccc1[O-] ZINC000926986144 759868744 /nfs/dbraw/zinc/86/87/44/759868744.db2.gz GNAWVBCYAMWXSM-MPESAESLSA-N 0 3 350.434 3.295 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1[O-] ZINC000779033795 724383086 /nfs/dbraw/zinc/38/30/86/724383086.db2.gz ZVGZBTJDTHKDNY-DGCLKSJQSA-N 0 3 355.276 3.123 20 10 FGCDHN COc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000048780543 493846063 /nfs/dbraw/zinc/84/60/63/493846063.db2.gz LRKBZFSBPSTRMV-OAHLLOKOSA-N 0 3 362.495 3.105 20 10 FGCDHN C[C@@H](Sc1nccs1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000052914398 494076328 /nfs/dbraw/zinc/07/63/28/494076328.db2.gz OGTMMXDAYMGDQA-CQSZACIVSA-N 0 3 361.536 3.405 20 10 FGCDHN COc1ccc(N2CCCN(Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000092380816 494609686 /nfs/dbraw/zinc/60/96/86/494609686.db2.gz BSRDRVQKCNMCFL-UHFFFAOYSA-N 0 3 363.465 3.193 20 10 FGCDHN COc1cccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1[O-] ZINC000092533834 494661702 /nfs/dbraw/zinc/66/17/02/494661702.db2.gz RFDYUVNBUMMVKH-UHFFFAOYSA-N 0 3 366.461 3.202 20 10 FGCDHN COc1cccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1O ZINC000092533834 494661704 /nfs/dbraw/zinc/66/17/04/494661704.db2.gz RFDYUVNBUMMVKH-UHFFFAOYSA-N 0 3 366.461 3.202 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000092644820 494692744 /nfs/dbraw/zinc/69/27/44/494692744.db2.gz QFSPTROXPTVEJP-UHFFFAOYSA-N 0 3 360.498 3.452 20 10 FGCDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3nccs3)CC2)cc1 ZINC000093370513 494881298 /nfs/dbraw/zinc/88/12/98/494881298.db2.gz RAMIWXSIZIEAFV-INIZCTEOSA-N 0 3 360.527 3.015 20 10 FGCDHN COc1ccc(C(=O)N2CCCN(Cc3cc(C)ccc3O)CC2)cc1 ZINC000123223432 495098730 /nfs/dbraw/zinc/09/87/30/495098730.db2.gz SUHQKVMTSJQREM-UHFFFAOYSA-N 0 3 354.450 3.057 20 10 FGCDHN OC1(c2ccccc2)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000185641271 495657638 /nfs/dbraw/zinc/65/76/38/495657638.db2.gz YNIOGMYHOIZXKN-UHFFFAOYSA-N 0 3 352.478 3.007 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000159141021 495667905 /nfs/dbraw/zinc/66/79/05/495667905.db2.gz LZTAZQCSQHMCNU-GOSISDBHSA-N 0 3 367.541 3.140 20 10 FGCDHN OCc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000174621714 496035932 /nfs/dbraw/zinc/03/59/32/496035932.db2.gz FWIQFHPUAJTUAB-CYBMUJFWSA-N 0 3 352.381 3.132 20 10 FGCDHN C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183595677 496042162 /nfs/dbraw/zinc/04/21/62/496042162.db2.gz JLGUZHTWKYHZDQ-MRXNPFEDSA-N 0 3 374.506 3.144 20 10 FGCDHN C[C@H](c1ccccc1)N1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180787864 496147124 /nfs/dbraw/zinc/14/71/24/496147124.db2.gz PNINUNZBCYHLLM-XAVKZTDYSA-N 0 3 366.461 3.453 20 10 FGCDHN CN(C)Cc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000181220130 496316395 /nfs/dbraw/zinc/31/63/95/496316395.db2.gz PXAPOBWHALCQAG-UHFFFAOYSA-N 0 3 354.454 3.245 20 10 FGCDHN C[C@@H](NC[C@](C)(O)c1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157024546 496388947 /nfs/dbraw/zinc/38/89/47/496388947.db2.gz JSWMEGGZKIBZIG-KUHUBIRLSA-N 0 3 364.486 3.282 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)N(C)Cc3ccccc3O)c2)CC1 ZINC000184898850 496576350 /nfs/dbraw/zinc/57/63/50/496576350.db2.gz LDUHKUXPICLLIZ-UHFFFAOYSA-N 0 3 368.481 3.198 20 10 FGCDHN CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000185014210 496623194 /nfs/dbraw/zinc/62/31/94/496623194.db2.gz NPELRYZYVSXOCO-ZDUSSCGKSA-N 0 3 360.329 3.377 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(N3CCOCC3)nc2)cc1 ZINC000268759504 496776000 /nfs/dbraw/zinc/77/60/00/496776000.db2.gz MSBNRSWJCSPLEK-QGZVFWFLSA-N 0 3 354.498 3.225 20 10 FGCDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000273349251 496781220 /nfs/dbraw/zinc/78/12/20/496781220.db2.gz CEDLNZUBLWZKLS-KRWDZBQOSA-N 0 3 358.530 3.159 20 10 FGCDHN COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])ccc1OCC(=O)N(C)C ZINC000273420090 496801401 /nfs/dbraw/zinc/80/14/01/496801401.db2.gz RWWQZXOPQRINBH-HNNXBMFYSA-N 0 3 372.465 3.027 20 10 FGCDHN C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])CN1CCN(C)CC1 ZINC000264373445 496885043 /nfs/dbraw/zinc/88/50/43/496885043.db2.gz MDRUKYBNOWMJOX-SFHVURJKSA-N 0 3 353.510 3.032 20 10 FGCDHN CCOc1ccc(O)c(CNCc2ccnc(OC3CCOCC3)c2)c1 ZINC000264942617 497015587 /nfs/dbraw/zinc/01/55/87/497015587.db2.gz GZDXCHUPZKVRPL-UHFFFAOYSA-N 0 3 358.438 3.034 20 10 FGCDHN COc1cc(C)c(CN(C)Cc2cc(OC)c(OC)cc2O)cc1OC ZINC000271124535 497268815 /nfs/dbraw/zinc/26/88/15/497268815.db2.gz ZKLRKGSMGCLHRB-UHFFFAOYSA-N 0 3 361.438 3.367 20 10 FGCDHN Cc1ccc(CNCc2ccc3c(c2)CCO3)c(-n2cc(Cl)cn2)n1 ZINC000190310224 497432302 /nfs/dbraw/zinc/43/23/02/497432302.db2.gz KJOWGKDHMSFDDR-UHFFFAOYSA-N 0 3 354.841 3.454 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271780128 497446983 /nfs/dbraw/zinc/44/69/83/497446983.db2.gz HLZFTCZKHPAGNZ-ZDUSSCGKSA-N 0 3 374.403 3.024 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271780128 497446988 /nfs/dbraw/zinc/44/69/88/497446988.db2.gz HLZFTCZKHPAGNZ-ZDUSSCGKSA-N 0 3 374.403 3.024 20 10 FGCDHN C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCc4cccc([O-])c43)c2)CCO1 ZINC000296033789 497898511 /nfs/dbraw/zinc/89/85/11/497898511.db2.gz QGEJLMMWMFGWRH-OXQOHEQNSA-N 0 3 352.478 3.390 20 10 FGCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])c1 ZINC000284856151 497923039 /nfs/dbraw/zinc/92/30/39/497923039.db2.gz AJDVWFHWZAWDPY-INIZCTEOSA-N 0 3 356.466 3.375 20 10 FGCDHN COc1ccc([C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N2CCOCC2)cc1 ZINC000296129367 497930986 /nfs/dbraw/zinc/93/09/86/497930986.db2.gz VRKHJCQQYGUJLR-WOJBJXKFSA-N 0 3 368.477 3.051 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1[O-] ZINC000281806029 498276619 /nfs/dbraw/zinc/27/66/19/498276619.db2.gz YQEPGRKQHHRDAC-RYUDHWBXSA-N 0 3 355.276 3.125 20 10 FGCDHN C[S@@](=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000281927045 498321631 /nfs/dbraw/zinc/32/16/31/498321631.db2.gz ZMPRSZJOCCMUBX-RUZDIDTESA-N 0 3 359.491 3.362 20 10 FGCDHN Cn1cc(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)s2)cn1 ZINC000282272453 498448060 /nfs/dbraw/zinc/44/80/60/498448060.db2.gz OVFJQARMWHGHKO-UHFFFAOYSA-N 0 3 368.506 3.275 20 10 FGCDHN C[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000290209558 498465524 /nfs/dbraw/zinc/46/55/24/498465524.db2.gz HGBCBMWTRHOVEU-ZDUSSCGKSA-N 0 3 365.424 3.247 20 10 FGCDHN Cc1nc(CN2CCC(C[NH2+][C@H]3CCc4cccc([O-])c43)CC2)oc1C ZINC000297955407 498621556 /nfs/dbraw/zinc/62/15/56/498621556.db2.gz YYMWEBHWNPEPQV-SFHVURJKSA-N 0 3 355.482 3.486 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000287425233 498751091 /nfs/dbraw/zinc/75/10/91/498751091.db2.gz SMVOAXUCVKZPFC-HUUCEWRRSA-N 0 3 358.438 3.062 20 10 FGCDHN COC1CCN(c2ccc(CN3CC[C@H](C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000294966292 498865246 /nfs/dbraw/zinc/86/52/46/498865246.db2.gz LIJRHVHYYWWZKF-SFHVURJKSA-N 0 3 374.525 3.465 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000363859470 499027808 /nfs/dbraw/zinc/02/78/08/499027808.db2.gz SJWWOYVPOXVNOF-GOEBONIOSA-N 0 3 356.470 3.276 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)c([O-])c1C ZINC000363860959 499029346 /nfs/dbraw/zinc/02/93/46/499029346.db2.gz VXMWMMSPONPHCQ-SQGPQFPESA-N 0 3 356.514 3.476 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000363862385 499029582 /nfs/dbraw/zinc/02/95/82/499029582.db2.gz ITIAZRLUGWPIIF-SJLPKXTDSA-N 0 3 355.482 3.359 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000363862383 499029648 /nfs/dbraw/zinc/02/96/48/499029648.db2.gz ITIAZRLUGWPIIF-AEFFLSMTSA-N 0 3 355.482 3.359 20 10 FGCDHN O=C1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@H](C2CC2)N1 ZINC000366925188 499117058 /nfs/dbraw/zinc/11/70/58/499117058.db2.gz KGNSSAXRFUWUNT-UGKGYDQZSA-N 0 3 366.461 3.118 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000369910977 499150832 /nfs/dbraw/zinc/15/08/32/499150832.db2.gz WPORSPUQHLUPFA-ODYMNIRHSA-N 0 3 360.479 3.475 20 10 FGCDHN C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)C1 ZINC000367354239 499187023 /nfs/dbraw/zinc/18/70/23/499187023.db2.gz UCHLJTJGXZPIFX-INIZCTEOSA-N 0 3 361.505 3.362 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367376459 499191082 /nfs/dbraw/zinc/19/10/82/499191082.db2.gz ATXLZXUNYYLGQS-BQFCYCMXSA-N 0 3 360.477 3.121 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367376459 499191084 /nfs/dbraw/zinc/19/10/84/499191084.db2.gz ATXLZXUNYYLGQS-BQFCYCMXSA-N 0 3 360.477 3.121 20 10 FGCDHN C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000367413778 499196015 /nfs/dbraw/zinc/19/60/15/499196015.db2.gz WECNNSNEPWIREJ-DYESRHJHSA-N 0 3 371.525 3.107 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1 ZINC000370374133 499214380 /nfs/dbraw/zinc/21/43/80/499214380.db2.gz MLNSJBCMTXBNQS-IEBWSBKVSA-N 0 3 352.478 3.442 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370376152 499214493 /nfs/dbraw/zinc/21/44/93/499214493.db2.gz WWSMLAOEASCNPQ-AEFFLSMTSA-N 0 3 368.477 3.143 20 10 FGCDHN Nc1ccc(CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000370763626 499252172 /nfs/dbraw/zinc/25/21/72/499252172.db2.gz NAHLAGZJBGFCPN-QHCPKHFHSA-N 0 3 363.505 3.326 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000368175182 499271433 /nfs/dbraw/zinc/27/14/33/499271433.db2.gz UYACYFCKGQQCAD-UGKGYDQZSA-N 0 3 369.461 3.399 20 10 FGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000368228682 499276118 /nfs/dbraw/zinc/27/61/18/499276118.db2.gz YURGMCPINICNNF-INIZCTEOSA-N 0 3 371.872 3.023 20 10 FGCDHN CCCOc1ccc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)c([O-])c1 ZINC000372412923 499432059 /nfs/dbraw/zinc/43/20/59/499432059.db2.gz CCARRDBWARLAIG-UHFFFAOYSA-N 0 3 362.514 3.256 20 10 FGCDHN CCCOc1ccc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c([O-])c1 ZINC000372412923 499432061 /nfs/dbraw/zinc/43/20/61/499432061.db2.gz CCARRDBWARLAIG-UHFFFAOYSA-N 0 3 362.514 3.256 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c1 ZINC000372436591 499434750 /nfs/dbraw/zinc/43/47/50/499434750.db2.gz ULZNJGMPFSRITE-OAHLLOKOSA-N 0 3 357.454 3.107 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c1 ZINC000372436591 499434752 /nfs/dbraw/zinc/43/47/52/499434752.db2.gz ULZNJGMPFSRITE-OAHLLOKOSA-N 0 3 357.454 3.107 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccnc(C)n2)C1=O)c1ccc(C)cc1[O-] ZINC000373519340 499474622 /nfs/dbraw/zinc/47/46/22/499474622.db2.gz IWBVVPUEPDLQQP-RTBURBONSA-N 0 3 368.481 3.031 20 10 FGCDHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000528151743 504093800 /nfs/dbraw/zinc/09/38/00/504093800.db2.gz UXRNKWCOILMJDV-HOCLYGCPSA-N 0 3 361.486 3.168 20 10 FGCDHN CCC[N@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)Cc1ccccc1O ZINC000736479848 598763896 /nfs/dbraw/zinc/76/38/96/598763896.db2.gz JWZTZBJDIRNRAP-UHFFFAOYSA-N 0 3 362.437 3.237 20 10 FGCDHN CCC[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)Cc1ccccc1O ZINC000736479848 598763898 /nfs/dbraw/zinc/76/38/98/598763898.db2.gz JWZTZBJDIRNRAP-UHFFFAOYSA-N 0 3 362.437 3.237 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000825147674 608285886 /nfs/dbraw/zinc/28/58/86/608285886.db2.gz LGRZJQBEYWTOGG-GOSISDBHSA-N 0 3 366.469 3.182 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000825147674 608285889 /nfs/dbraw/zinc/28/58/89/608285889.db2.gz LGRZJQBEYWTOGG-GOSISDBHSA-N 0 3 366.469 3.182 20 10 FGCDHN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000127276206 700759733 /nfs/dbraw/zinc/75/97/33/700759733.db2.gz RUZOALCIJNDORJ-LFPIHBKWSA-N 0 3 372.962 3.374 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000136496205 704862185 /nfs/dbraw/zinc/86/21/85/704862185.db2.gz QIHRWOXVJBGFHB-AWEZNQCLSA-N 0 3 355.356 3.232 20 10 FGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000179562069 705705425 /nfs/dbraw/zinc/70/54/25/705705425.db2.gz NKAAUHVQUWSCDG-OAHLLOKOSA-N 0 3 355.356 3.283 20 10 FGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000179562069 705705428 /nfs/dbraw/zinc/70/54/28/705705428.db2.gz NKAAUHVQUWSCDG-OAHLLOKOSA-N 0 3 355.356 3.283 20 10 FGCDHN O=C(c1cccc2c1CCNC2)N1CCc2cc(Br)ccc21 ZINC000662469343 720431774 /nfs/dbraw/zinc/43/17/74/720431774.db2.gz SLGXQOQLLWMDCB-UHFFFAOYSA-N 0 3 357.251 3.298 20 10 FGCDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000717101634 722417561 /nfs/dbraw/zinc/41/75/61/722417561.db2.gz VZAZGSAWOFDTSG-AWEZNQCLSA-N 0 3 356.413 3.374 20 10 FGCDHN CN(C)c1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734843231 722510465 /nfs/dbraw/zinc/51/04/65/722510465.db2.gz HJPWESFWZRKEPQ-QZTJIDSGSA-N 0 3 352.400 3.377 20 10 FGCDHN O[C@@H]([C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000734844123 722510492 /nfs/dbraw/zinc/51/04/92/722510492.db2.gz VEXDIHCNWCPDQQ-AEFFLSMTSA-N 0 3 351.368 3.246 20 10 FGCDHN CCN(CC)c1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000757694670 722978399 /nfs/dbraw/zinc/97/83/99/722978399.db2.gz XPUCGOSVBXNXNW-UHFFFAOYSA-N 0 3 358.507 3.152 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](CSc3ccccc3)C1)[C@@H](O)CO2 ZINC000768466142 723658383 /nfs/dbraw/zinc/65/83/83/723658383.db2.gz MUAIUAUUJIUPJH-KUHUBIRLSA-N 0 3 357.475 3.432 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](CSc3ccccc3)C1)[C@@H](O)CO2 ZINC000768466142 723658385 /nfs/dbraw/zinc/65/83/85/723658385.db2.gz MUAIUAUUJIUPJH-KUHUBIRLSA-N 0 3 357.475 3.432 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000771890972 723744522 /nfs/dbraw/zinc/74/45/22/723744522.db2.gz VNLCKOPSGXAYBB-ZIAGYGMSSA-N 0 3 358.276 3.457 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000773042821 723775137 /nfs/dbraw/zinc/77/51/37/723775137.db2.gz XCCWKQVAAIKBOW-OAHLLOKOSA-N 0 3 358.507 3.323 20 10 FGCDHN CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1[O-] ZINC000775482805 723994577 /nfs/dbraw/zinc/99/45/77/723994577.db2.gz BKJMLIKAWMWMDI-ZWKOTPCHSA-N 0 3 359.539 3.483 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775491194 723995209 /nfs/dbraw/zinc/99/52/09/723995209.db2.gz BLNDYHACHYFQNQ-ROUUACIJSA-N 0 3 353.938 3.358 20 10 FGCDHN CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000776812175 724185295 /nfs/dbraw/zinc/18/52/95/724185295.db2.gz QVUGLGHCLCMLSH-GOEBONIOSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1ccc(N2CCN(C[C@H](O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000805734785 725090351 /nfs/dbraw/zinc/09/03/51/725090351.db2.gz VMUDKUCGDNTNKZ-LJQANCHMSA-N 0 3 360.885 3.074 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N(C)CC)c([O-])c1 ZINC000809722596 725262729 /nfs/dbraw/zinc/26/27/29/725262729.db2.gz CWMPMJKLVYDNDA-INIZCTEOSA-N 0 3 350.459 3.234 20 10 FGCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)CC)c([O-])c1 ZINC000809722596 725262730 /nfs/dbraw/zinc/26/27/30/725262730.db2.gz CWMPMJKLVYDNDA-INIZCTEOSA-N 0 3 350.459 3.234 20 10 FGCDHN CCOc1ccc(CN2CCCC[C@H]2COC(=O)N(C)CC)c(O)c1 ZINC000809722596 725262732 /nfs/dbraw/zinc/26/27/32/725262732.db2.gz CWMPMJKLVYDNDA-INIZCTEOSA-N 0 3 350.459 3.234 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217028 725297705 /nfs/dbraw/zinc/29/77/05/725297705.db2.gz VDZHJAMPVQCKSZ-FMKPAKJESA-N 0 3 358.404 3.315 20 10 FGCDHN FC(F)(F)c1cc(CNCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000824660803 729353547 /nfs/dbraw/zinc/35/35/47/729353547.db2.gz JJSJRYJQZDTEKY-UHFFFAOYSA-N 0 3 351.372 3.227 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]Cc2ccccc2CN2CCOCC2)cc1Cl ZINC000825058962 729369252 /nfs/dbraw/zinc/36/92/52/729369252.db2.gz PFKATWFMDYWTSU-UHFFFAOYSA-N 0 3 360.885 3.476 20 10 FGCDHN Cc1cc(Br)cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124812 729372044 /nfs/dbraw/zinc/37/20/44/729372044.db2.gz YRMCJJWLQHVPRL-TVQRCGJNSA-N 0 3 368.193 3.208 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c([O-])c1 ZINC000825336948 729379130 /nfs/dbraw/zinc/37/91/30/729379130.db2.gz AXIIYUSNFSBPTC-QGZVFWFLSA-N 0 3 366.255 3.377 20 10 FGCDHN COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3c([O-])cccc3OC)C2)s1 ZINC000827941821 729437527 /nfs/dbraw/zinc/43/75/27/729437527.db2.gz ISBMLAJMOIGYHA-LBPRGKRZSA-N 0 3 362.451 3.024 20 10 FGCDHN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c([O-])cccc3OC)C2)s1 ZINC000827941821 729437528 /nfs/dbraw/zinc/43/75/28/729437528.db2.gz ISBMLAJMOIGYHA-LBPRGKRZSA-N 0 3 362.451 3.024 20 10 FGCDHN Cc1cc([C@H](N)CC(=O)NCCCSc2nccs2)cc(Cl)n1 ZINC000829528492 729487996 /nfs/dbraw/zinc/48/79/96/729487996.db2.gz OTARRLXJVSZBGS-GFCCVEGCSA-N 0 3 370.931 3.188 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1[O-] ZINC000834896042 729844615 /nfs/dbraw/zinc/84/46/15/729844615.db2.gz HEUSIHHFCGJHPM-NWDGAFQWSA-N 0 3 352.276 3.478 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1[O-] ZINC000834896043 729844756 /nfs/dbraw/zinc/84/47/56/729844756.db2.gz HEUSIHHFCGJHPM-RYUDHWBXSA-N 0 3 352.276 3.478 20 10 FGCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000846142835 730931784 /nfs/dbraw/zinc/93/17/84/730931784.db2.gz WMQQNFPZWBJDTE-GFCCVEGCSA-N 0 3 369.870 3.179 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1[O-] ZINC000848532341 731176364 /nfs/dbraw/zinc/17/63/64/731176364.db2.gz FWBLPAWPUDSHSP-ZIBATOQPSA-N 0 3 369.303 3.297 20 10 FGCDHN Oc1ccc(Br)cc1CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000849352467 731251848 /nfs/dbraw/zinc/25/18/48/731251848.db2.gz MCRFNEWXAPWQHC-KRWDZBQOSA-N 0 3 363.255 3.428 20 10 FGCDHN COCc1csc(CNCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000850072739 731315060 /nfs/dbraw/zinc/31/50/60/731315060.db2.gz JEISDOYLXHXJLJ-UHFFFAOYSA-N 0 3 360.523 3.393 20 10 FGCDHN COc1ccc(N2CC[C@H](NCc3cnc([C@@H]4CCCO4)s3)C2)cc1 ZINC000850347141 731345401 /nfs/dbraw/zinc/34/54/01/731345401.db2.gz OGZLSWNVCSBTST-KSSFIOAISA-N 0 3 359.495 3.372 20 10 FGCDHN COc1ncc(Br)cc1CNCc1cc(C)c(C)cc1O ZINC000858249456 732196840 /nfs/dbraw/zinc/19/68/40/732196840.db2.gz QSEHUWKKOXKVAY-UHFFFAOYSA-N 0 3 351.244 3.465 20 10 FGCDHN Cc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c([O-])c1 ZINC000876727598 736136967 /nfs/dbraw/zinc/13/69/67/736136967.db2.gz OUXKRYAUDITJPZ-UHFFFAOYSA-N 0 3 350.260 3.497 20 10 FGCDHN Cc1ccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)c(O)c1 ZINC000876985394 736170865 /nfs/dbraw/zinc/17/08/65/736170865.db2.gz BAVCSVTVUYKEDX-UHFFFAOYSA-N 0 3 362.495 3.067 20 10 FGCDHN COC(=O)c1csc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000876987485 736171017 /nfs/dbraw/zinc/17/10/17/736171017.db2.gz XTZMNGIWOLBTJE-AWEZNQCLSA-N 0 3 360.479 3.222 20 10 FGCDHN COc1ccc(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1OC ZINC000895691915 742440189 /nfs/dbraw/zinc/44/01/89/742440189.db2.gz KMYVKPJEIKUAKO-HNNXBMFYSA-N 0 3 369.820 3.415 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1[O-] ZINC000779029454 724382721 /nfs/dbraw/zinc/38/27/21/724382721.db2.gz IEBRJFUJWNFMGF-NSHDSACASA-N 0 3 357.292 3.419 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000779039596 724383703 /nfs/dbraw/zinc/38/37/03/724383703.db2.gz DFHQKSPNBCTSQV-QPUJVOFHSA-N 0 3 356.182 3.427 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1[O-] ZINC000779038101 724383821 /nfs/dbraw/zinc/38/38/21/724383821.db2.gz IPCXABCUMWQKFI-WCBMZHEXSA-N 0 3 356.182 3.427 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000093455068 494892779 /nfs/dbraw/zinc/89/27/79/494892779.db2.gz WXMLUMHUYYDMGD-FQEVSTJZSA-N 0 3 356.514 3.212 20 10 FGCDHN COc1cc(Br)cc(CN2CCC([NH+]3CCCC3)CC2)c1[O-] ZINC000127701600 494983845 /nfs/dbraw/zinc/98/38/45/494983845.db2.gz LSAMVWVVKJQAFF-UHFFFAOYSA-N 0 3 369.303 3.224 20 10 FGCDHN C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC000185703550 495689224 /nfs/dbraw/zinc/68/92/24/495689224.db2.gz KVHVLXWGTABLFU-UHFFFAOYSA-N 0 3 369.465 3.128 20 10 FGCDHN Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1[O-] ZINC000179700098 495696129 /nfs/dbraw/zinc/69/61/29/495696129.db2.gz USIYTVHICZHIFJ-UHFFFAOYSA-N 0 3 356.441 3.368 20 10 FGCDHN C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000186126735 495865499 /nfs/dbraw/zinc/86/54/99/495865499.db2.gz UFHASMNEOJYTKJ-XVSDVWIESA-N 0 3 352.906 3.464 20 10 FGCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000178665211 496532810 /nfs/dbraw/zinc/53/28/10/496532810.db2.gz QTWHILFGSXXYBB-HOTGVXAUSA-N 0 3 368.481 3.426 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000163779557 496556983 /nfs/dbraw/zinc/55/69/83/496556983.db2.gz RFBZWJBWZWITPW-QGZVFWFLSA-N 0 3 369.509 3.461 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109206 496663668 /nfs/dbraw/zinc/66/36/68/496663668.db2.gz CVGKKRMRHAALCJ-HUUCEWRRSA-N 0 3 362.495 3.363 20 10 FGCDHN CC[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000273303111 496769150 /nfs/dbraw/zinc/76/91/50/496769150.db2.gz VCVGGPQXGCSDSE-SFTDATJTSA-N 0 3 366.509 3.380 20 10 FGCDHN CC[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000273303109 496769611 /nfs/dbraw/zinc/76/96/11/496769611.db2.gz VCVGGPQXGCSDSE-RTWAWAEBSA-N 0 3 366.509 3.380 20 10 FGCDHN C[C@H](NCc1ccccc1OCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273573447 496843761 /nfs/dbraw/zinc/84/37/61/496843761.db2.gz LDDGCGVQEDWFTD-AWEZNQCLSA-N 0 3 359.426 3.092 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000278108126 497007394 /nfs/dbraw/zinc/00/73/94/497007394.db2.gz AXJGQADFMWWWJD-HIFRSBDPSA-N 0 3 350.459 3.278 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000278372706 497091590 /nfs/dbraw/zinc/09/15/90/497091590.db2.gz ZSXXVPZNZBEOOR-UKRRQHHQSA-N 0 3 350.459 3.278 20 10 FGCDHN CN(C)c1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1F ZINC000274971139 497209418 /nfs/dbraw/zinc/20/94/18/497209418.db2.gz WEJQILYIDGKRIP-UHFFFAOYSA-N 0 3 357.477 3.199 20 10 FGCDHN Cc1ccc(CN2CCC(CNC(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000237722000 497281803 /nfs/dbraw/zinc/28/18/03/497281803.db2.gz LZTWYQTYTHGCEI-UHFFFAOYSA-N 0 3 351.494 3.148 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279468696 497447642 /nfs/dbraw/zinc/44/76/42/497447642.db2.gz POTIRJLSSURARR-STQMWFEESA-N 0 3 369.303 3.234 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279468696 497447647 /nfs/dbraw/zinc/44/76/47/497447647.db2.gz POTIRJLSSURARR-STQMWFEESA-N 0 3 369.303 3.234 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000296060690 497908883 /nfs/dbraw/zinc/90/88/83/497908883.db2.gz ROSUGOGLJOLMTL-LIRRHRJNSA-N 0 3 366.461 3.388 20 10 FGCDHN C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000281004343 497983521 /nfs/dbraw/zinc/98/35/21/497983521.db2.gz NUJMPRWPFGDXTP-INIZCTEOSA-N 0 3 350.528 3.295 20 10 FGCDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000289117846 498023450 /nfs/dbraw/zinc/02/34/50/498023450.db2.gz DEHYMXJWDNJBJU-LJQANCHMSA-N 0 3 356.441 3.448 20 10 FGCDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1CO)c1ccc(N2CCOCC2)cc1 ZINC000364584183 498036473 /nfs/dbraw/zinc/03/64/73/498036473.db2.gz VLIHWOLFBBXVJP-XTQVGHSUSA-N 0 3 366.505 3.470 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)OCO2 ZINC000281960440 498334294 /nfs/dbraw/zinc/33/42/94/498334294.db2.gz QSUVCOKOOWROCH-AWEZNQCLSA-N 0 3 355.438 3.033 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)OCO2 ZINC000281960440 498334297 /nfs/dbraw/zinc/33/42/97/498334297.db2.gz QSUVCOKOOWROCH-AWEZNQCLSA-N 0 3 355.438 3.033 20 10 FGCDHN COc1ccc([O-])c(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000293859733 498513841 /nfs/dbraw/zinc/51/38/41/498513841.db2.gz BZXQSIGYKSYBKG-UHFFFAOYSA-N 0 3 369.870 3.008 20 10 FGCDHN C[NH+](C)CCCOc1cnccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000293863872 498516056 /nfs/dbraw/zinc/51/60/56/498516056.db2.gz IMGIPQFTHDDOBA-UHFFFAOYSA-N 0 3 367.852 3.200 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)c([O-])c1 ZINC000363176234 498686939 /nfs/dbraw/zinc/68/69/39/498686939.db2.gz GZDJDGMXUMPKLH-DYESRHJHSA-N 0 3 372.513 3.087 20 10 FGCDHN CN1CC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000366332266 498877703 /nfs/dbraw/zinc/87/77/03/498877703.db2.gz YWWBJEAIWLFANX-OXQOHEQNSA-N 0 3 357.885 3.274 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323146 499181134 /nfs/dbraw/zinc/18/11/34/499181134.db2.gz ZNWYBBAAVXRTIO-JKSUJKDBSA-N 0 3 356.470 3.161 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323146 499181135 /nfs/dbraw/zinc/18/11/35/499181135.db2.gz ZNWYBBAAVXRTIO-JKSUJKDBSA-N 0 3 356.470 3.161 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370372906 499213905 /nfs/dbraw/zinc/21/39/05/499213905.db2.gz GABPAUBEQJXCHS-PKOBYXMFSA-N 0 3 352.478 3.442 20 10 FGCDHN COc1c([O-])c(C[NH+]2CCC(Nc3cccc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000370527177 499228968 /nfs/dbraw/zinc/22/89/68/499228968.db2.gz HVRVFESZLVTDHK-UHFFFAOYSA-N 0 3 372.425 3.089 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1OCCc2sccc21 ZINC000368372076 499289876 /nfs/dbraw/zinc/28/98/76/499289876.db2.gz ZRWMEUAADVYEQG-FOIQADDNSA-N 0 3 358.507 3.377 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000371395435 499320096 /nfs/dbraw/zinc/32/00/96/499320096.db2.gz HCJRPMFOMGSQKH-UHFFFAOYSA-N 0 3 361.467 3.098 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)Nc3nccs3)CC2)c1 ZINC000371395435 499320097 /nfs/dbraw/zinc/32/00/97/499320097.db2.gz HCJRPMFOMGSQKH-UHFFFAOYSA-N 0 3 361.467 3.098 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c([O-])c1 ZINC000371410458 499322503 /nfs/dbraw/zinc/32/25/03/499322503.db2.gz DJALKZGSHGJPAW-UHFFFAOYSA-N 0 3 358.438 3.168 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000368811408 499335275 /nfs/dbraw/zinc/33/52/75/499335275.db2.gz VWZJHMCVJKDZBN-INIZCTEOSA-N 0 3 354.450 3.310 20 10 FGCDHN Cn1ccc(CNC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000368944081 499349001 /nfs/dbraw/zinc/34/90/01/499349001.db2.gz PIHLLRZVMVZDMD-UHFFFAOYSA-N 0 3 354.376 3.077 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369519609 499412135 /nfs/dbraw/zinc/41/21/35/499412135.db2.gz BYLZMFWPJSXIML-KSSFIOAISA-N 0 3 359.495 3.288 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1C ZINC000373255275 499460110 /nfs/dbraw/zinc/46/01/10/499460110.db2.gz JJUKTTCZETVKIQ-CVEARBPZSA-N 0 3 353.466 3.037 20 10 FGCDHN CC(C)C[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000378205650 499490376 /nfs/dbraw/zinc/49/03/76/499490376.db2.gz NMGVBNJSVKLGLD-INIZCTEOSA-N 0 3 373.419 3.044 20 10 FGCDHN COc1cc(O)c(CN2CCC(Nc3nc(C)cs3)CC2)cc1OC ZINC000375217961 499496386 /nfs/dbraw/zinc/49/63/86/499496386.db2.gz LGDUFEXVFHNETG-UHFFFAOYSA-N 0 3 363.483 3.251 20 10 FGCDHN Cc1nc(CN2CCC[C@@H]([NH2+][C@H](C)c3cc4c(cc3[O-])CCCC4)C2)no1 ZINC000376304786 499599282 /nfs/dbraw/zinc/59/92/82/499599282.db2.gz HDYYNVHCQVXPIH-RDTXWAMCSA-N 0 3 370.497 3.278 20 10 FGCDHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000527963472 504017521 /nfs/dbraw/zinc/01/75/21/504017521.db2.gz ADQRJNQBKVZHFI-DOTOQJQBSA-N 0 3 356.466 3.335 20 10 FGCDHN CCOC[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093418960 700451857 /nfs/dbraw/zinc/45/18/57/700451857.db2.gz ZHXNABRTMBUZAF-LBPRGKRZSA-N 0 3 358.276 3.412 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1[O-] ZINC000105442790 700500934 /nfs/dbraw/zinc/50/09/34/700500934.db2.gz UVZLLONRIZCTIO-LLVKDONJSA-N 0 3 368.275 3.094 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000114508192 700578539 /nfs/dbraw/zinc/57/85/39/700578539.db2.gz PQOBPCYLTFTGCH-QGZVFWFLSA-N 0 3 366.255 3.161 20 10 FGCDHN CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1[O-] ZINC000131539575 700816410 /nfs/dbraw/zinc/81/64/10/700816410.db2.gz NPSLNRVBSBGGTC-UHFFFAOYSA-N 0 3 362.495 3.055 20 10 FGCDHN CCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1[O-] ZINC000131539575 700816412 /nfs/dbraw/zinc/81/64/12/700816412.db2.gz NPSLNRVBSBGGTC-UHFFFAOYSA-N 0 3 362.495 3.055 20 10 FGCDHN Cc1cc(C)c(O)c(CN2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000164244297 705326761 /nfs/dbraw/zinc/32/67/61/705326761.db2.gz XXKSCLVNBGFEHR-UHFFFAOYSA-N 0 3 360.420 3.096 20 10 FGCDHN Cc1cccc(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)c1O ZINC000181189731 705776898 /nfs/dbraw/zinc/77/68/98/705776898.db2.gz VRPCKLOVLWEAET-UHFFFAOYSA-N 0 3 362.495 3.067 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c([O-])c1 ZINC000185288937 712690690 /nfs/dbraw/zinc/69/06/90/712690690.db2.gz RHVOXNGULRSMGR-OAHLLOKOSA-N 0 3 360.479 3.091 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000701889584 722410451 /nfs/dbraw/zinc/41/04/51/722410451.db2.gz FKWMTJYBABIVAQ-NSHDSACASA-N 0 3 358.866 3.399 20 10 FGCDHN CN1CCN(C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)c2ccccc2)CC1 ZINC000733327039 722495739 /nfs/dbraw/zinc/49/57/39/722495739.db2.gz LQGRMXARRXYPON-LJQANCHMSA-N 0 3 359.901 3.124 20 10 FGCDHN Cc1cc(O)c(CNCC(=O)Nc2ccc(Br)cc2)cc1C ZINC000742367039 722556437 /nfs/dbraw/zinc/55/64/37/722556437.db2.gz GKABMFOWUNNGGJ-UHFFFAOYSA-N 0 3 363.255 3.500 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000756384067 722963702 /nfs/dbraw/zinc/96/37/02/722963702.db2.gz NEBMIZSXSZMBOI-ABAIWWIYSA-N 0 3 364.442 3.241 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000756384074 722963711 /nfs/dbraw/zinc/96/37/11/722963711.db2.gz NEBMIZSXSZMBOI-NHYWBVRUSA-N 0 3 364.442 3.241 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000756511612 722965929 /nfs/dbraw/zinc/96/59/29/722965929.db2.gz QYXGNKUEQIEZRI-MLGOLLRUSA-N 0 3 363.454 3.414 20 10 FGCDHN COc1cccc([O-])c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000769400619 723684478 /nfs/dbraw/zinc/68/44/78/723684478.db2.gz XDEVGCQATBQPGK-UHFFFAOYSA-N 0 3 366.259 3.197 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000770376630 723712327 /nfs/dbraw/zinc/71/23/27/723712327.db2.gz WIEOBQWLQOFDAF-CHWSQXEVSA-N 0 3 370.287 3.412 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000770376630 723712329 /nfs/dbraw/zinc/71/23/29/723712329.db2.gz WIEOBQWLQOFDAF-CHWSQXEVSA-N 0 3 370.287 3.412 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775491188 723995278 /nfs/dbraw/zinc/99/52/78/723995278.db2.gz BLNDYHACHYFQNQ-MSOLQXFVSA-N 0 3 353.938 3.358 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CCc2cnc(C3CC3)nc2)c1[O-] ZINC000776254533 724123866 /nfs/dbraw/zinc/12/38/66/724123866.db2.gz YRMCWMFXYRSCMI-UHFFFAOYSA-N 0 3 362.271 3.463 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c([O-])c1 ZINC000800290002 724175965 /nfs/dbraw/zinc/17/59/65/724175965.db2.gz VXYXFAYOXPUAMA-KRWDZBQOSA-N 0 3 366.255 3.377 20 10 FGCDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000776812176 724185274 /nfs/dbraw/zinc/18/52/74/724185274.db2.gz QVUGLGHCLCMLSH-HOCLYGCPSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785988833 724953344 /nfs/dbraw/zinc/95/33/44/724953344.db2.gz PDOKXGWWNAHMRC-COPLHBTASA-N 0 3 358.276 3.145 20 10 FGCDHN CCOc1cccc(CN2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC000809720748 725262428 /nfs/dbraw/zinc/26/24/28/725262428.db2.gz MBIRVFSPQDRHTJ-MRXNPFEDSA-N 0 3 350.459 3.280 20 10 FGCDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809777895 725267862 /nfs/dbraw/zinc/26/78/62/725267862.db2.gz ICBOHFQJKNLMRS-CQSZACIVSA-N 0 3 369.303 3.201 20 10 FGCDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000809777895 725267864 /nfs/dbraw/zinc/26/78/64/725267864.db2.gz ICBOHFQJKNLMRS-CQSZACIVSA-N 0 3 369.303 3.201 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1[O-] ZINC000815148314 727045745 /nfs/dbraw/zinc/04/57/45/727045745.db2.gz RNOMAOZEXXHKSG-MRXNPFEDSA-N 0 3 358.276 3.194 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](CO)C2CCCCC2)c1[O-] ZINC000815150146 727046230 /nfs/dbraw/zinc/04/62/30/727046230.db2.gz PJOPQYWHCHIAFP-AWEZNQCLSA-N 0 3 372.303 3.442 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000816652966 727185632 /nfs/dbraw/zinc/18/56/32/727185632.db2.gz ACDCTKJTIHCCMD-HNNXBMFYSA-N 0 3 363.255 3.169 20 10 FGCDHN COc1ccc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)cc1 ZINC000826845509 729416880 /nfs/dbraw/zinc/41/68/80/729416880.db2.gz JVGQVGXKPQDNAD-HNNXBMFYSA-N 0 3 362.857 3.431 20 10 FGCDHN C[C@H](Cc1cnccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000834585218 729816288 /nfs/dbraw/zinc/81/62/88/729816288.db2.gz JKPKRRJBCHXMCP-PBHICJAKSA-N 0 3 360.889 3.021 20 10 FGCDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000837380869 730023550 /nfs/dbraw/zinc/02/35/50/730023550.db2.gz YQAVBQIDHZFGPO-UHFFFAOYSA-N 0 3 360.527 3.088 20 10 FGCDHN CCc1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000840900490 730189272 /nfs/dbraw/zinc/18/92/72/730189272.db2.gz YPCVZZJQALZRQV-KRWDZBQOSA-N 0 3 360.889 3.152 20 10 FGCDHN CCCNCC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841046396 730206025 /nfs/dbraw/zinc/20/60/25/730206025.db2.gz DJFOTPPQCOHMOX-UHFFFAOYSA-N 0 3 366.097 3.006 20 10 FGCDHN Nc1ccc(CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000841637473 730261211 /nfs/dbraw/zinc/26/12/11/730261211.db2.gz SXXTYCKBJWLXKX-KRWDZBQOSA-N 0 3 358.511 3.009 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)c1[O-] ZINC000848516677 731174130 /nfs/dbraw/zinc/17/41/30/731174130.db2.gz ATIXVGQHZPYLNT-SKDRFNHKSA-N 0 3 356.216 3.141 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c1[O-] ZINC000848518688 731174231 /nfs/dbraw/zinc/17/42/31/731174231.db2.gz MQRQJJCGPFYUKC-CQDKDKBSSA-N 0 3 369.303 3.441 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1[O-] ZINC000848518689 731174325 /nfs/dbraw/zinc/17/43/25/731174325.db2.gz MQRQJJCGPFYUKC-GLQYFDAESA-N 0 3 369.303 3.441 20 10 FGCDHN C[C@H](NCCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850519432 731368518 /nfs/dbraw/zinc/36/85/18/731368518.db2.gz LTUJHCUKZMQSBI-BLLLJJGKSA-N 0 3 360.832 3.251 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000862512766 732842439 /nfs/dbraw/zinc/84/24/39/732842439.db2.gz HLIFOUAPKXNXCW-HNNXBMFYSA-N 0 3 370.877 3.080 20 10 FGCDHN C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccccc1[O-] ZINC000879653535 737023527 /nfs/dbraw/zinc/02/35/27/737023527.db2.gz RLSGOWPDZJMZGR-LBPRGKRZSA-N 0 3 356.344 3.227 20 10 FGCDHN Fc1cc(CN2CC[C@H](Cc3nccs3)C2)ccc1N1CCOCC1 ZINC000898070868 742741625 /nfs/dbraw/zinc/74/16/25/742741625.db2.gz AMEJUQMDHOKARB-MRXNPFEDSA-N 0 3 361.486 3.183 20 10 FGCDHN COc1cccc(CN[C@@](C)(CO)c2cccc(Br)c2)c1O ZINC000898168915 742752671 /nfs/dbraw/zinc/75/26/71/742752671.db2.gz UFNPNMIMVJQBEN-KRWDZBQOSA-N 0 3 366.255 3.161 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccccc1[O-] ZINC000898720599 742825345 /nfs/dbraw/zinc/82/53/45/742825345.db2.gz MDPNVZNBOPQKEJ-WCQYABFASA-N 0 3 350.260 3.407 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(CCF)c2)c1[O-] ZINC000903273597 743833373 /nfs/dbraw/zinc/83/33/73/743833373.db2.gz BMRITCRTHMFEJL-NSHDSACASA-N 0 3 356.239 3.480 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnc3n2CCOC3)c1[O-] ZINC000903420237 743847633 /nfs/dbraw/zinc/84/76/33/743847633.db2.gz MJBSDHIQSSGGEG-NSHDSACASA-N 0 3 366.259 3.041 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1[O-] ZINC000779023311 724382099 /nfs/dbraw/zinc/38/20/99/724382099.db2.gz FHDYNTRPQOFKKC-OCCSQVGLSA-N 0 3 358.276 3.309 20 10 FGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000068973659 493902535 /nfs/dbraw/zinc/90/25/35/493902535.db2.gz LJDPPKDCQRZRGA-IBGZPJMESA-N 0 3 372.465 3.003 20 10 FGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000068973659 493902541 /nfs/dbraw/zinc/90/25/41/493902541.db2.gz LJDPPKDCQRZRGA-IBGZPJMESA-N 0 3 372.465 3.003 20 10 FGCDHN O=C(c1ccncc1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000077441430 494083411 /nfs/dbraw/zinc/08/34/11/494083411.db2.gz LZCOHZBGHBLRKG-UHFFFAOYSA-N 0 3 361.445 3.289 20 10 FGCDHN O=C(c1ccncc1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000077441430 494083414 /nfs/dbraw/zinc/08/34/14/494083414.db2.gz LZCOHZBGHBLRKG-UHFFFAOYSA-N 0 3 361.445 3.289 20 10 FGCDHN COc1cccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1O ZINC000092709195 494723067 /nfs/dbraw/zinc/72/30/67/494723067.db2.gz MNBWHFWFPXOKSO-UHFFFAOYSA-N 0 3 366.421 3.225 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000092071669 494778661 /nfs/dbraw/zinc/77/86/61/494778661.db2.gz AOLMHJUHANJAMD-NSHDSACASA-N 0 3 366.259 3.266 20 10 FGCDHN C[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000128758282 495146050 /nfs/dbraw/zinc/14/60/50/495146050.db2.gz WYNNSPXJQHNFHR-QGZVFWFLSA-N 0 3 367.493 3.392 20 10 FGCDHN COc1ccc(O)c(CN[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185605423 495639895 /nfs/dbraw/zinc/63/98/95/495639895.db2.gz QGINEZFXRLKBSA-LJQANCHMSA-N 0 3 358.413 3.123 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185605423 495639901 /nfs/dbraw/zinc/63/99/01/495639901.db2.gz QGINEZFXRLKBSA-LJQANCHMSA-N 0 3 358.413 3.123 20 10 FGCDHN Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1[O-] ZINC000179613342 495660034 /nfs/dbraw/zinc/66/00/34/495660034.db2.gz AYUGQRNOYCJFGB-UHFFFAOYSA-N 0 3 368.433 3.280 20 10 FGCDHN C[C@H](NC[C@@H](O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154596584 495666401 /nfs/dbraw/zinc/66/64/01/495666401.db2.gz MGITVXLSIGCASM-SCLBCKFNSA-N 0 3 350.459 3.108 20 10 FGCDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182931871 495762681 /nfs/dbraw/zinc/76/26/81/495762681.db2.gz QSHXUPZAWDSVAB-IBGZPJMESA-N 0 3 368.477 3.319 20 10 FGCDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000182931871 495762687 /nfs/dbraw/zinc/76/26/87/495762687.db2.gz QSHXUPZAWDSVAB-IBGZPJMESA-N 0 3 368.477 3.319 20 10 FGCDHN C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183595659 496042262 /nfs/dbraw/zinc/04/22/62/496042262.db2.gz JLGUZHTWKYHZDQ-INIZCTEOSA-N 0 3 374.506 3.144 20 10 FGCDHN COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178449480 496461563 /nfs/dbraw/zinc/46/15/63/496461563.db2.gz PZALFHKTBWESRC-QRWLVFNGSA-N 0 3 374.456 3.055 20 10 FGCDHN C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000187680354 496532902 /nfs/dbraw/zinc/53/29/02/496532902.db2.gz IWWPACVEHJMHJU-ZDUSSCGKSA-N 0 3 350.409 3.462 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109561 496663769 /nfs/dbraw/zinc/66/37/69/496663769.db2.gz CUOCHUGVGZPSOM-OLZOCXBDSA-N 0 3 366.458 3.193 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273359585 496783151 /nfs/dbraw/zinc/78/31/51/496783151.db2.gz AFKQCBVPSTUZLB-QRWLVFNGSA-N 0 3 365.477 3.498 20 10 FGCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000273566880 496843185 /nfs/dbraw/zinc/84/31/85/496843185.db2.gz JVHSBVJPTUSOFG-KRWDZBQOSA-N 0 3 367.493 3.220 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(OC)c(OC)c2OC)c1 ZINC000273601659 496851091 /nfs/dbraw/zinc/85/10/91/496851091.db2.gz RYURIVJTSRCJOS-ZDUSSCGKSA-N 0 3 361.438 3.320 20 10 FGCDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273610338 496852916 /nfs/dbraw/zinc/85/29/16/496852916.db2.gz VOGJJWPXZAYAQH-GJZGRUSLSA-N 0 3 362.495 3.329 20 10 FGCDHN COc1cccc(CNCc2cc(Br)cc3c2OCC3)c1O ZINC000274134296 497023527 /nfs/dbraw/zinc/02/35/27/497023527.db2.gz FRDKJPPVDHZGCG-UHFFFAOYSA-N 0 3 364.239 3.388 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000278372711 497091379 /nfs/dbraw/zinc/09/13/79/497091379.db2.gz ZSXXVPZNZBEOOR-ZFWWWQNUSA-N 0 3 350.459 3.278 20 10 FGCDHN COc1cccc(CNCc2cc(Br)ccc2OC)c1O ZINC000237215780 497205225 /nfs/dbraw/zinc/20/52/25/497205225.db2.gz DYLQSJXQXRLVHK-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN COc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000271179119 497282520 /nfs/dbraw/zinc/28/25/20/497282520.db2.gz LDXBHMAVQHZSSK-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000271179119 497282524 /nfs/dbraw/zinc/28/25/24/497282524.db2.gz LDXBHMAVQHZSSK-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000271179119 497282529 /nfs/dbraw/zinc/28/25/29/497282529.db2.gz LDXBHMAVQHZSSK-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000271179120 497282933 /nfs/dbraw/zinc/28/29/33/497282933.db2.gz LDXBHMAVQHZSSK-UKRRQHHQSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000271179120 497282934 /nfs/dbraw/zinc/28/29/34/497282934.db2.gz LDXBHMAVQHZSSK-UKRRQHHQSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000271179120 497282935 /nfs/dbraw/zinc/28/29/35/497282935.db2.gz LDXBHMAVQHZSSK-UKRRQHHQSA-N 0 3 350.459 3.136 20 10 FGCDHN Cc1noc(CCC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000275326153 497289775 /nfs/dbraw/zinc/28/97/75/497289775.db2.gz LZKLRLWPOVZDKE-SNVBAGLBSA-N 0 3 354.248 3.438 20 10 FGCDHN Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N3CCNCC3)c(F)c2)s1 ZINC000237984554 497323419 /nfs/dbraw/zinc/32/34/19/497323419.db2.gz LRFMFAWLDZHEDM-HZPDHXFCSA-N 0 3 373.497 3.025 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(C)cc1[O-] ZINC000279964046 497603945 /nfs/dbraw/zinc/60/39/45/497603945.db2.gz CNHBILIBKPWPFI-LJQANCHMSA-N 0 3 356.466 3.409 20 10 FGCDHN CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272706014 497708008 /nfs/dbraw/zinc/70/80/08/497708008.db2.gz CIXNIAPNQQILHV-UHFFFAOYSA-N 0 3 362.392 3.143 20 10 FGCDHN COC1CCN(c2ccc(CN3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000295953217 497867054 /nfs/dbraw/zinc/86/70/54/497867054.db2.gz ITXWYSSWNXVRFV-SVMVAKDDSA-N 0 3 374.525 3.070 20 10 FGCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(OC)c1OCC(F)F ZINC000289811315 498304729 /nfs/dbraw/zinc/30/47/29/498304729.db2.gz SBVSFUGANQZVKV-UHFFFAOYSA-N 0 3 353.365 3.343 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230317 498331748 /nfs/dbraw/zinc/33/17/48/498331748.db2.gz STXSGDXCRZXKIR-UYAOXDASSA-N 0 3 358.457 3.339 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc2c(c1)OCC(=O)N2 ZINC000286251100 498339331 /nfs/dbraw/zinc/33/93/31/498339331.db2.gz UKFKTWQWDOHIBV-AWEZNQCLSA-N 0 3 351.450 3.251 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000293714571 498465066 /nfs/dbraw/zinc/46/50/66/498465066.db2.gz UZKUXMKHUIWQNG-MRXNPFEDSA-N 0 3 364.848 3.041 20 10 FGCDHN CC[C@H]([NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000290308977 498503951 /nfs/dbraw/zinc/50/39/51/498503951.db2.gz ZOGOMWDSJHBSEV-LAUBAEHRSA-N 0 3 359.466 3.444 20 10 FGCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c([O-])c1O ZINC000366305157 498866212 /nfs/dbraw/zinc/86/62/12/498866212.db2.gz PVLSRQZQIRHDAC-MSOLQXFVSA-N 0 3 366.461 3.000 20 10 FGCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c([O-])c1O ZINC000366305157 498866215 /nfs/dbraw/zinc/86/62/15/498866215.db2.gz PVLSRQZQIRHDAC-MSOLQXFVSA-N 0 3 366.461 3.000 20 10 FGCDHN Cc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000288258420 498978768 /nfs/dbraw/zinc/97/87/68/498978768.db2.gz GJZBZBFHWSTOPH-QAPCUYQASA-N 0 3 352.482 3.188 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598010 499151549 /nfs/dbraw/zinc/15/15/49/499151549.db2.gz FCUVBDYVKKRPEZ-TZMCWYRMSA-N 0 3 358.442 3.023 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598010 499151551 /nfs/dbraw/zinc/15/15/51/499151551.db2.gz FCUVBDYVKKRPEZ-TZMCWYRMSA-N 0 3 358.442 3.023 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[O-] ZINC000370176150 499193251 /nfs/dbraw/zinc/19/32/51/499193251.db2.gz VGRMVJSDFBDHHM-KSSFIOAISA-N 0 3 361.873 3.232 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c([O-])c1 ZINC000368330667 499286155 /nfs/dbraw/zinc/28/61/55/499286155.db2.gz HDUBNTNKPBSMHY-OAHLLOKOSA-N 0 3 354.450 3.362 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CCN(C)C[C@H]43)ccc21 ZINC000371534243 499338947 /nfs/dbraw/zinc/33/89/47/499338947.db2.gz NDDXUCTXOBSANR-LAUBAEHRSA-N 0 3 369.509 3.071 20 10 FGCDHN c1nn([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c2ccccc12 ZINC000371581978 499344274 /nfs/dbraw/zinc/34/42/74/499344274.db2.gz SYXAQEJXYJVMEX-NRFANRHFSA-N 0 3 362.477 3.320 20 10 FGCDHN CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000371697810 499356682 /nfs/dbraw/zinc/35/66/82/499356682.db2.gz BOQODZSJRAHHGG-SFHVURJKSA-N 0 3 374.481 3.124 20 10 FGCDHN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000371697810 499356683 /nfs/dbraw/zinc/35/66/83/499356683.db2.gz BOQODZSJRAHHGG-SFHVURJKSA-N 0 3 374.481 3.124 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000373251109 499459791 /nfs/dbraw/zinc/45/97/91/499459791.db2.gz CNLKMVALEQUINJ-INIZCTEOSA-N 0 3 355.482 3.154 20 10 FGCDHN CC[C@H]([NH2+]C1CCN(c2cc(C(=O)OC)ccn2)CC1)c1ccccc1[O-] ZINC000373461724 499471260 /nfs/dbraw/zinc/47/12/60/499471260.db2.gz OEHGYJDLCKQJLC-SFHVURJKSA-N 0 3 369.465 3.284 20 10 FGCDHN FC1(c2cccnc2)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375301084 499504492 /nfs/dbraw/zinc/50/44/92/499504492.db2.gz DWSWITCAFDGNSJ-UHFFFAOYSA-N 0 3 355.457 3.379 20 10 FGCDHN COc1ccc(O)c(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000378440704 499517110 /nfs/dbraw/zinc/51/71/10/499517110.db2.gz DMXKAQXTEKBBFI-FQEVSTJZSA-N 0 3 352.434 3.349 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000378440704 499517111 /nfs/dbraw/zinc/51/71/11/499517111.db2.gz DMXKAQXTEKBBFI-FQEVSTJZSA-N 0 3 352.434 3.349 20 10 FGCDHN c1c2ccccc2nn1[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000378572550 499533156 /nfs/dbraw/zinc/53/31/56/499533156.db2.gz CJXPXIJJRFELHM-NRFANRHFSA-N 0 3 362.477 3.320 20 10 FGCDHN Cc1nc(CN2CCC[C@H]([NH2+][C@H](C)c3cc4c(cc3[O-])CCCC4)C2)no1 ZINC000376304782 499599125 /nfs/dbraw/zinc/59/91/25/499599125.db2.gz HDYYNVHCQVXPIH-KDOFPFPSSA-N 0 3 370.497 3.278 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000376895198 499644337 /nfs/dbraw/zinc/64/43/37/499644337.db2.gz WAAAGDAKCBTSQO-HOTGVXAUSA-N 0 3 353.466 3.119 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693043 499720858 /nfs/dbraw/zinc/72/08/58/499720858.db2.gz CGKFDJZKBVSVSJ-RHSMWYFYSA-N 0 3 356.470 3.148 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693043 499720860 /nfs/dbraw/zinc/72/08/60/499720860.db2.gz CGKFDJZKBVSVSJ-RHSMWYFYSA-N 0 3 356.470 3.148 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000377757154 499729216 /nfs/dbraw/zinc/72/92/16/499729216.db2.gz UHUOUBKDTVZDTL-WCQYABFASA-N 0 3 350.260 3.476 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1[O-] ZINC000377757154 499729218 /nfs/dbraw/zinc/72/92/18/499729218.db2.gz UHUOUBKDTVZDTL-WCQYABFASA-N 0 3 350.260 3.476 20 10 FGCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1C ZINC000377832927 499740270 /nfs/dbraw/zinc/74/02/70/499740270.db2.gz VWMNPLLMUKYAKX-QGZVFWFLSA-N 0 3 356.470 3.024 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000471772671 502132682 /nfs/dbraw/zinc/13/26/82/502132682.db2.gz SRGNWHOEGVRZEB-MRXNPFEDSA-N 0 3 356.514 3.406 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)ccc21 ZINC000467030185 502763809 /nfs/dbraw/zinc/76/38/09/502763809.db2.gz DFGFQUNFQVCQMN-VLIAUNLRSA-N 0 3 369.509 3.117 20 10 FGCDHN CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927696 604764656 /nfs/dbraw/zinc/76/46/56/604764656.db2.gz BNIQBXMZLBNFDT-BEFAXECRSA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927696 604764659 /nfs/dbraw/zinc/76/46/59/604764659.db2.gz BNIQBXMZLBNFDT-BEFAXECRSA-N 0 3 354.450 3.160 20 10 FGCDHN CCOc1ccc(O)c(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000152740173 704972257 /nfs/dbraw/zinc/97/22/57/704972257.db2.gz FLMMRWOQFGFGRX-HNNXBMFYSA-N 0 3 363.479 3.051 20 10 FGCDHN COc1ccc(CNCc2cc(Br)cc(OC)c2O)cc1O ZINC000171134438 705375855 /nfs/dbraw/zinc/37/58/55/705375855.db2.gz BWLFAUPVYMRFOJ-UHFFFAOYSA-N 0 3 368.227 3.167 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[O-] ZINC000310659474 713800386 /nfs/dbraw/zinc/80/03/86/713800386.db2.gz SFXUVYJBFFJNJK-NHAGDIPZSA-N 0 3 368.861 3.009 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1[O-] ZINC000382731971 713980538 /nfs/dbraw/zinc/98/05/38/713980538.db2.gz LOBKUKTUAMRQNV-WAYWQWQTSA-N 0 3 356.850 3.225 20 10 FGCDHN Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000779060197 724385786 /nfs/dbraw/zinc/38/57/86/724385786.db2.gz GRZLMHLOVSYBEF-UHFFFAOYSA-N 0 3 367.218 3.331 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000779094278 724389673 /nfs/dbraw/zinc/38/96/73/724389673.db2.gz PLLZNLORYAYTPV-GFCCVEGCSA-N 0 3 357.347 3.491 20 10 FGCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1c1cccc(C(F)(F)F)c1 ZINC000749924999 722748148 /nfs/dbraw/zinc/74/81/48/722748148.db2.gz ULVUWDQVNXQVAD-AWEZNQCLSA-N 0 3 350.340 3.306 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000706643493 722412250 /nfs/dbraw/zinc/41/22/50/722412250.db2.gz LQPBKMJOGHXEQH-HNNXBMFYSA-N 0 3 352.475 3.235 20 10 FGCDHN O=[N+]([O-])c1cc(CNC[C@@H](O)c2ccsc2)ccc1N1CCCCC1 ZINC000740011843 722534698 /nfs/dbraw/zinc/53/46/98/722534698.db2.gz UKTVDCGVYLILKF-GOSISDBHSA-N 0 3 361.467 3.470 20 10 FGCDHN CCN(Cc1ccccc1)c1ccc(CNC[C@H](C)S(C)(=O)=O)cc1 ZINC000754085422 722926886 /nfs/dbraw/zinc/92/68/86/722926886.db2.gz LMNMOZPSUBQLFX-KRWDZBQOSA-N 0 3 360.523 3.236 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756434722 722964535 /nfs/dbraw/zinc/96/45/35/722964535.db2.gz OXBNQXMZAGHLIJ-MLGOLLRUSA-N 0 3 363.454 3.414 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756469516 722965182 /nfs/dbraw/zinc/96/51/82/722965182.db2.gz JDEDQOITWLUQKG-IAQYHMDHSA-N 0 3 364.442 3.241 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c2c1c(F)ccc2[O-] ZINC000756743842 722969420 /nfs/dbraw/zinc/96/94/20/722969420.db2.gz WWAJZXILGGFXEI-NHYWBVRUSA-N 0 3 361.438 3.199 20 10 FGCDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1 ZINC000759387136 723003758 /nfs/dbraw/zinc/00/37/58/723003758.db2.gz OBBAOCGRIJOQHA-HQPKTYMTSA-N 0 3 357.841 3.104 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000793216428 723412508 /nfs/dbraw/zinc/41/25/08/723412508.db2.gz AMJULEALIFYBOL-NSHDSACASA-N 0 3 373.291 3.466 20 10 FGCDHN Cc1cccc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1O ZINC000793607239 723453980 /nfs/dbraw/zinc/45/39/80/723453980.db2.gz QMDGGNAHEGHUSV-UHFFFAOYSA-N 0 3 373.396 3.413 20 10 FGCDHN COc1cc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)ccc1SC ZINC000768444924 723657754 /nfs/dbraw/zinc/65/77/54/723657754.db2.gz OJPICJSRGKPRDJ-MRXNPFEDSA-N 0 3 361.463 3.181 20 10 FGCDHN COc1cc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)ccc1SC ZINC000768444924 723657755 /nfs/dbraw/zinc/65/77/55/723657755.db2.gz OJPICJSRGKPRDJ-MRXNPFEDSA-N 0 3 361.463 3.181 20 10 FGCDHN COc1cc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)ccc1SC ZINC000768444924 723657756 /nfs/dbraw/zinc/65/77/56/723657756.db2.gz OJPICJSRGKPRDJ-MRXNPFEDSA-N 0 3 361.463 3.181 20 10 FGCDHN CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1[O-])OC[C@@H]3O)CCC2 ZINC000768463780 723658480 /nfs/dbraw/zinc/65/84/80/723658480.db2.gz WWNCPDRSLGZRSK-HOCLYGCPSA-N 0 3 360.479 3.346 20 10 FGCDHN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1[O-])OC[C@@H]3O)CCC2 ZINC000768463780 723658481 /nfs/dbraw/zinc/65/84/81/723658481.db2.gz WWNCPDRSLGZRSK-HOCLYGCPSA-N 0 3 360.479 3.346 20 10 FGCDHN COc1cccc(O)c1CN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000769234025 723680204 /nfs/dbraw/zinc/68/02/04/723680204.db2.gz XLROHGNIBWGGPF-CQSZACIVSA-N 0 3 350.459 3.232 20 10 FGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000769291357 723681555 /nfs/dbraw/zinc/68/15/55/723681555.db2.gz NYLQQBOAFGPHAN-STQMWFEESA-N 0 3 369.303 3.376 20 10 FGCDHN COc1cccc([O-])c1C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769563240 723689788 /nfs/dbraw/zinc/68/97/88/723689788.db2.gz SKEYUZQIEOVEOU-UHFFFAOYSA-N 0 3 352.475 3.384 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769563240 723689789 /nfs/dbraw/zinc/68/97/89/723689789.db2.gz SKEYUZQIEOVEOU-UHFFFAOYSA-N 0 3 352.475 3.384 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](CO)CC2CCCC2)c1[O-] ZINC000798504236 723938800 /nfs/dbraw/zinc/93/88/00/723938800.db2.gz YNKZVCINCCZQIP-ZDUSSCGKSA-N 0 3 372.303 3.442 20 10 FGCDHN Cc1cc(Br)cc(CN2CCC[C@@H](n3ccnc3)C2)c1O ZINC000775674826 724022208 /nfs/dbraw/zinc/02/22/08/724022208.db2.gz LDUWUYIPSXTBPN-OAHLLOKOSA-N 0 3 350.260 3.497 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c1[O-] ZINC000776498813 724151609 /nfs/dbraw/zinc/15/16/09/724151609.db2.gz PZAJJPRMFOVWRH-AMFBXLIHSA-N 0 3 358.276 3.312 20 10 FGCDHN CCOc1ccc(O)c(CN2CCCC[C@H]2COC(=O)N(C)CC)c1 ZINC000809722854 725262618 /nfs/dbraw/zinc/26/26/18/725262618.db2.gz LCQZKSDMPIWPOI-INIZCTEOSA-N 0 3 350.459 3.234 20 10 FGCDHN CCOc1cccc(CN2CCCC[C@H]2COC(=O)N(C)CC)c1O ZINC000809723011 725262624 /nfs/dbraw/zinc/26/26/24/725262624.db2.gz OWOJYACQSHWVFH-INIZCTEOSA-N 0 3 350.459 3.234 20 10 FGCDHN CCc1nsc(N2CCCN(Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815055946 727027735 /nfs/dbraw/zinc/02/77/35/727027735.db2.gz UUMDUSLHUBGBTC-UHFFFAOYSA-N 0 3 359.543 3.187 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1[O-] ZINC000824845958 729361821 /nfs/dbraw/zinc/36/18/21/729361821.db2.gz PNGCHRXYHZGMJX-JKSUJKDBSA-N 0 3 354.288 3.350 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000825073166 729370022 /nfs/dbraw/zinc/37/00/22/729370022.db2.gz SBEGOVZUQHFFOQ-GFCCVEGCSA-N 0 3 368.246 3.235 20 10 FGCDHN COc1cc(O)c(CNC[C@H](OC2CCCC2)C(F)(F)F)cc1OC ZINC000826922067 729419141 /nfs/dbraw/zinc/41/91/41/729419141.db2.gz YFGNNYRWQIXQSS-INIZCTEOSA-N 0 3 363.376 3.389 20 10 FGCDHN O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834798883 729835208 /nfs/dbraw/zinc/83/52/08/729835208.db2.gz QPDQLJSCALGDHB-OAHLLOKOSA-N 0 3 359.857 3.255 20 10 FGCDHN CCS(=O)(=O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840889128 730188651 /nfs/dbraw/zinc/18/86/51/730188651.db2.gz OSMALSOLNJSZLK-IBGZPJMESA-N 0 3 361.507 3.481 20 10 FGCDHN CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000841041218 730205399 /nfs/dbraw/zinc/20/53/99/730205399.db2.gz BZRYCMWNOLLDFQ-MRXNPFEDSA-N 0 3 364.287 3.010 20 10 FGCDHN C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1cc(F)ccc1[O-] ZINC000842899143 730555068 /nfs/dbraw/zinc/55/50/68/730555068.db2.gz BBLHXKKNTHSETG-CYBMUJFWSA-N 0 3 353.434 3.320 20 10 FGCDHN COc1ccc(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000845967283 730913343 /nfs/dbraw/zinc/91/33/43/730913343.db2.gz NSQOSGZGOXSKLE-UHFFFAOYSA-N 0 3 350.459 3.184 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)c1[O-] ZINC000848548370 731179301 /nfs/dbraw/zinc/17/93/01/731179301.db2.gz WHNBPCJDLWZUOY-COPLHBTASA-N 0 3 358.276 3.365 20 10 FGCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])[C@@H](O)C(F)F ZINC000848552219 731180653 /nfs/dbraw/zinc/18/06/53/731180653.db2.gz AFYZUCYUIRUIRG-LCWDIZFYSA-N 0 3 368.218 3.219 20 10 FGCDHN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853093280 731664323 /nfs/dbraw/zinc/66/43/23/731664323.db2.gz HRCAEFFAKLTCKF-CQSZACIVSA-N 0 3 353.304 3.366 20 10 FGCDHN COCCc1ncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000865432458 733199388 /nfs/dbraw/zinc/19/93/88/733199388.db2.gz XWBZMKGRWACATI-OAHLLOKOSA-N 0 3 361.511 3.019 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1[O-] ZINC000872112889 735589810 /nfs/dbraw/zinc/58/98/10/735589810.db2.gz LPPREFAYJVCDIY-GHMZBOCLSA-N 0 3 372.259 3.157 20 10 FGCDHN Cc1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c(O)c1 ZINC000877546868 736682285 /nfs/dbraw/zinc/68/22/85/736682285.db2.gz XQIQHKAKIAQMEG-HNNXBMFYSA-N 0 3 354.219 3.425 20 10 FGCDHN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000883108426 737524422 /nfs/dbraw/zinc/52/44/22/737524422.db2.gz HKAPULIPAGOVNJ-UHFFFAOYSA-N 0 3 357.267 3.400 20 10 FGCDHN [O-]c1c(F)cc(Br)cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000883108426 737524428 /nfs/dbraw/zinc/52/44/28/737524428.db2.gz HKAPULIPAGOVNJ-UHFFFAOYSA-N 0 3 357.267 3.400 20 10 FGCDHN Cc1csc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000884472771 737666604 /nfs/dbraw/zinc/66/66/04/737666604.db2.gz HURJBAMQGHOBDN-CXAGYDPISA-N 0 3 360.479 3.038 20 10 FGCDHN Cc1csc(C[C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)n1 ZINC000884472771 737666606 /nfs/dbraw/zinc/66/66/06/737666606.db2.gz HURJBAMQGHOBDN-CXAGYDPISA-N 0 3 360.479 3.038 20 10 FGCDHN CC[C@H](CC(F)(F)F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248349 739885995 /nfs/dbraw/zinc/88/59/95/739885995.db2.gz LQTIWKLDVCLQQW-CZUORRHYSA-N 0 3 359.436 3.450 20 10 FGCDHN CCN1CCN(c2ccc(CNCc3nc(C)c(C)s3)cc2F)CC1 ZINC000892905509 740056387 /nfs/dbraw/zinc/05/63/87/740056387.db2.gz MMXIPACASBVHOJ-UHFFFAOYSA-N 0 3 362.518 3.331 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925791679 759540849 /nfs/dbraw/zinc/54/08/49/759540849.db2.gz NFMNYDKLFNHYOZ-STQMWFEESA-N 0 3 358.404 3.220 20 10 FGCDHN C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925791679 759540858 /nfs/dbraw/zinc/54/08/58/759540858.db2.gz NFMNYDKLFNHYOZ-STQMWFEESA-N 0 3 358.404 3.220 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1[O-] ZINC000779022769 724382184 /nfs/dbraw/zinc/38/21/84/724382184.db2.gz ZRLWERCZNGDBFI-ZDUSSCGKSA-N 0 3 371.319 3.225 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000092071670 494778079 /nfs/dbraw/zinc/77/80/79/494778079.db2.gz AOLMHJUHANJAMD-LLVKDONJSA-N 0 3 366.259 3.266 20 10 FGCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cccc(CO)c3)cc2F)CC1 ZINC000121740629 494849885 /nfs/dbraw/zinc/84/98/85/494849885.db2.gz XMNKNNDUKRHLJY-QGZVFWFLSA-N 0 3 371.500 3.311 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000093505247 494896355 /nfs/dbraw/zinc/89/63/55/494896355.db2.gz NNFINZFPVUGZKE-RISCZKNCSA-N 0 3 356.260 3.164 20 10 FGCDHN c1cc(N2CCOCC2)ccc1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000093842186 494926922 /nfs/dbraw/zinc/92/69/22/494926922.db2.gz HKAVVCZAWMMMSC-QFIPXVFZSA-N 0 3 374.525 3.073 20 10 FGCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3c([O-])cccc3Cl)cc2)C1 ZINC000127484561 494951779 /nfs/dbraw/zinc/95/17/79/494951779.db2.gz TVBHKSRFLOQGFZ-OAHLLOKOSA-N 0 3 373.884 3.355 20 10 FGCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NCc3c([O-])cccc3Cl)cc2)C1 ZINC000127484561 494951782 /nfs/dbraw/zinc/95/17/82/494951782.db2.gz TVBHKSRFLOQGFZ-OAHLLOKOSA-N 0 3 373.884 3.355 20 10 FGCDHN COc1cccc(CN[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1O ZINC000185353828 495544292 /nfs/dbraw/zinc/54/42/92/495544292.db2.gz YNACKIZKIURWSW-GOSISDBHSA-N 0 3 358.413 3.123 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000158606770 495549166 /nfs/dbraw/zinc/54/91/66/495549166.db2.gz ADEYETBORYTHHA-GJZGRUSLSA-N 0 3 363.479 3.222 20 10 FGCDHN CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)cc2)c2ccc(F)cc2C1 ZINC000185365998 495550373 /nfs/dbraw/zinc/55/03/73/495550373.db2.gz KSDOFYHMAKHJBM-OAQYLSRUSA-N 0 3 355.457 3.475 20 10 FGCDHN C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185367414 495550721 /nfs/dbraw/zinc/55/07/21/495550721.db2.gz AEYRVGRWPIPREO-ZDUSSCGKSA-N 0 3 360.329 3.377 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000180013304 495822902 /nfs/dbraw/zinc/82/29/02/495822902.db2.gz OJYLRFHQUJSSTO-UHFFFAOYSA-N 0 3 358.413 3.391 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183454276 495990966 /nfs/dbraw/zinc/99/09/66/495990966.db2.gz MYEBVVJVJFTJCL-HNNXBMFYSA-N 0 3 362.495 3.274 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1[O-] ZINC000183458486 495993520 /nfs/dbraw/zinc/99/35/20/495993520.db2.gz ZKAINLIGPOIKAP-ZACQAIPSSA-N 0 3 368.477 3.492 20 10 FGCDHN c1ccc2c(c1)CO[C@@]21CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000186444816 496001437 /nfs/dbraw/zinc/00/14/37/496001437.db2.gz GPRSJCBRNHLAGT-JOCHJYFZSA-N 0 3 350.462 3.155 20 10 FGCDHN C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2)C[C@H](C)O1 ZINC000180520563 496031154 /nfs/dbraw/zinc/03/11/54/496031154.db2.gz CJMVMZFTISVEDL-GASCZTMLSA-N 0 3 372.440 3.071 20 10 FGCDHN CN1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC000181120525 496277896 /nfs/dbraw/zinc/27/78/96/496277896.db2.gz AOYXSHIQNKHFIF-QHAKIZEFSA-N 0 3 372.490 3.372 20 10 FGCDHN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[O-] ZINC000187156912 496317388 /nfs/dbraw/zinc/31/73/88/496317388.db2.gz XOPCEEBQOFKOJJ-KRWDZBQOSA-N 0 3 354.450 3.082 20 10 FGCDHN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1[O-] ZINC000187156912 496317390 /nfs/dbraw/zinc/31/73/90/496317390.db2.gz XOPCEEBQOFKOJJ-KRWDZBQOSA-N 0 3 354.450 3.082 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000184710730 496502441 /nfs/dbraw/zinc/50/24/41/496502441.db2.gz RGVPZBPWRDLJES-OAHLLOKOSA-N 0 3 374.868 3.193 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cc1 ZINC000163779660 496556870 /nfs/dbraw/zinc/55/68/70/496556870.db2.gz RFBZWJBWZWITPW-KRWDZBQOSA-N 0 3 369.509 3.461 20 10 FGCDHN CC[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000273303107 496768113 /nfs/dbraw/zinc/76/81/13/496768113.db2.gz VCVGGPQXGCSDSE-NHCUHLMSSA-N 0 3 366.509 3.380 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270209505 497077851 /nfs/dbraw/zinc/07/78/51/497077851.db2.gz ZXFKBWNJOYAKRX-AZUAARDMSA-N 0 3 366.465 3.459 20 10 FGCDHN CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000274742018 497156188 /nfs/dbraw/zinc/15/61/88/497156188.db2.gz AHXKCYLSXQUFBJ-RDTXWAMCSA-N 0 3 362.495 3.444 20 10 FGCDHN CC[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000274815976 497173453 /nfs/dbraw/zinc/17/34/53/497173453.db2.gz WLGRSZHYCDKEQS-FQEVSTJZSA-N 0 3 354.498 3.225 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000271719834 497428009 /nfs/dbraw/zinc/42/80/09/497428009.db2.gz JMMDRWGZIUNKSM-UHFFFAOYSA-N 0 3 350.459 3.138 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c1[O-] ZINC000279633178 497493124 /nfs/dbraw/zinc/49/31/24/497493124.db2.gz ZHUFPSUTZRHJRV-GFCCVEGCSA-N 0 3 365.271 3.321 20 10 FGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCN1CCC(O)CC1 ZINC000295864349 497834336 /nfs/dbraw/zinc/83/43/36/497834336.db2.gz FSBOIMFRWAUDDN-OAQYLSRUSA-N 0 3 354.494 3.112 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000364416337 497944532 /nfs/dbraw/zinc/94/45/32/497944532.db2.gz LMWKBXAHAYBRFD-GPMSIDNRSA-N 0 3 360.498 3.191 20 10 FGCDHN Cc1nn(-c2ccc(F)cc2)cc1CNCc1cc2c(cc1O)OCO2 ZINC000360171560 498251685 /nfs/dbraw/zinc/25/16/85/498251685.db2.gz DPUOPPOCUJVGMV-UHFFFAOYSA-N 0 3 355.369 3.044 20 10 FGCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3cn4cccnc4n3)C2)cc1 ZINC000297785219 498566109 /nfs/dbraw/zinc/56/61/09/498566109.db2.gz WKPMAMXSQGIZAU-AWEZNQCLSA-N 0 3 373.407 3.089 20 10 FGCDHN C[C@@H]1CN(c2ccc(CNCc3c[nH]c4nccnc34)cc2F)C[C@@H](C)O1 ZINC000290829062 498692657 /nfs/dbraw/zinc/69/26/57/498692657.db2.gz HUHIZQNLFKNASX-ZIAGYGMSSA-N 0 3 369.444 3.000 20 10 FGCDHN COC1CCN(c2ccc(CN3CCc4ccccc4[C@@H]3CO)cc2)CC1 ZINC000294922333 498849776 /nfs/dbraw/zinc/84/97/76/498849776.db2.gz JZWSKGBHZHSMOD-QHCPKHFHSA-N 0 3 366.505 3.394 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000363868093 499031952 /nfs/dbraw/zinc/03/19/52/499031952.db2.gz RJBQTKINVQMKIT-BEFAXECRSA-N 0 3 365.477 3.231 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000370122974 499183754 /nfs/dbraw/zinc/18/37/54/499183754.db2.gz PUOOBTMPXIJTIV-UWJYYQICSA-N 0 3 354.450 3.100 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000368175179 499271459 /nfs/dbraw/zinc/27/14/59/499271459.db2.gz UYACYFCKGQQCAD-DENIHFKCSA-N 0 3 369.461 3.399 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1OCCc2sccc21 ZINC000368372078 499289882 /nfs/dbraw/zinc/28/98/82/499289882.db2.gz ZRWMEUAADVYEQG-QRWLVFNGSA-N 0 3 358.507 3.377 20 10 FGCDHN Cc1nn(C)c(C)c1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368900590 499344735 /nfs/dbraw/zinc/34/47/35/499344735.db2.gz GWNFCVOPIWZPSI-UHFFFAOYSA-N 0 3 364.440 3.397 20 10 FGCDHN COC(=O)c1ccnc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)c1 ZINC000371865621 499373298 /nfs/dbraw/zinc/37/32/98/499373298.db2.gz WZNQVCGLCONOKP-HNNXBMFYSA-N 0 3 369.465 3.202 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccnc(C)n2)C1=O)c1ccc(C)cc1[O-] ZINC000373519338 499474634 /nfs/dbraw/zinc/47/46/34/499474634.db2.gz IWBVVPUEPDLQQP-RBUKOAKNSA-N 0 3 368.481 3.031 20 10 FGCDHN Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([O-])c1O ZINC000378573181 499533048 /nfs/dbraw/zinc/53/30/48/499533048.db2.gz RAMUQPFRXAZIMP-APWZRJJASA-N 0 3 368.477 3.389 20 10 FGCDHN Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c([O-])c1O ZINC000378573181 499533049 /nfs/dbraw/zinc/53/30/49/499533049.db2.gz RAMUQPFRXAZIMP-APWZRJJASA-N 0 3 368.477 3.389 20 10 FGCDHN Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([O-])c1O ZINC000378573201 499533091 /nfs/dbraw/zinc/53/30/91/499533091.db2.gz RAMUQPFRXAZIMP-LPHOPBHVSA-N 0 3 368.477 3.389 20 10 FGCDHN Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c([O-])c1O ZINC000378573201 499533092 /nfs/dbraw/zinc/53/30/92/499533092.db2.gz RAMUQPFRXAZIMP-LPHOPBHVSA-N 0 3 368.477 3.389 20 10 FGCDHN Cc1ccc([C@H](C)NCC(=O)N[C@H]2CCOc3ccccc32)c(O)c1C ZINC000376573724 499619625 /nfs/dbraw/zinc/61/96/25/499619625.db2.gz HUWPTLXXDAGSPM-YJBOKZPZSA-N 0 3 354.450 3.300 20 10 FGCDHN COc1ccccc1COC[C@H](O)CNCc1c(C)c2ccccc2n1C ZINC000579344932 506152507 /nfs/dbraw/zinc/15/25/07/506152507.db2.gz NEQSHTXLHBRVFV-GOSISDBHSA-N 0 3 368.477 3.163 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1C ZINC000377718635 499724524 /nfs/dbraw/zinc/72/45/24/499724524.db2.gz PIUAMIVVRFPQFE-UHFFFAOYSA-N 0 3 361.417 3.050 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000471733896 502123283 /nfs/dbraw/zinc/12/32/83/502123283.db2.gz DCXJKWDSMRRGAF-HOTGVXAUSA-N 0 3 356.514 3.406 20 10 FGCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1c(C)c2ccccc2n1C ZINC000472236809 502280800 /nfs/dbraw/zinc/28/08/00/502280800.db2.gz CGSJEWXTUOYYMR-SJORKVTESA-N 0 3 354.498 3.255 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000528151744 504093931 /nfs/dbraw/zinc/09/39/31/504093931.db2.gz UXRNKWCOILMJDV-ZBFHGGJFSA-N 0 3 361.486 3.168 20 10 FGCDHN CC1CCN(c2ccc(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000736279808 598511205 /nfs/dbraw/zinc/51/12/05/598511205.db2.gz MSIOYCTWLWOCDF-UHFFFAOYSA-N 0 3 362.481 3.393 20 10 FGCDHN CC1CCN(c2ccc(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000736279808 598511206 /nfs/dbraw/zinc/51/12/06/598511206.db2.gz MSIOYCTWLWOCDF-UHFFFAOYSA-N 0 3 362.481 3.393 20 10 FGCDHN CCN(C)c1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825394396 608282538 /nfs/dbraw/zinc/28/25/38/608282538.db2.gz BWPFVYAHHSHPCN-HNNXBMFYSA-N 0 3 366.469 3.052 20 10 FGCDHN Oc1cc2c(cc1C[N@H+]1CC=C(c3ccc(-c4nn[n-]n4)cc3)CC1)CCC2 ZINC000826510625 608489028 /nfs/dbraw/zinc/48/90/28/608489028.db2.gz BGGBWLBXAZZPAD-UHFFFAOYSA-N 0 3 373.460 3.350 20 10 FGCDHN Oc1cc2c(cc1C[N@@H+]1CC=C(c3ccc(-c4nn[n-]n4)cc3)CC1)CCC2 ZINC000826510625 608489030 /nfs/dbraw/zinc/48/90/30/608489030.db2.gz BGGBWLBXAZZPAD-UHFFFAOYSA-N 0 3 373.460 3.350 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000126926740 700754574 /nfs/dbraw/zinc/75/45/74/700754574.db2.gz XWWZEORHZLLGLS-MRXNPFEDSA-N 0 3 359.495 3.432 20 10 FGCDHN COC(=O)c1cc2ccccc2c(C[N@H+](C)CCc2nccs2)c1[O-] ZINC000157174137 705146323 /nfs/dbraw/zinc/14/63/23/705146323.db2.gz NFSLHDFKTFNLGQ-UHFFFAOYSA-N 0 3 356.447 3.463 20 10 FGCDHN COC(=O)c1cc2ccccc2c(C[N@@H+](C)CCc2nccs2)c1[O-] ZINC000157174137 705146327 /nfs/dbraw/zinc/14/63/27/705146327.db2.gz NFSLHDFKTFNLGQ-UHFFFAOYSA-N 0 3 356.447 3.463 20 10 FGCDHN CC1CCN(c2ccc(CN[C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000182909916 705868425 /nfs/dbraw/zinc/86/84/25/705868425.db2.gz HVDUHVQEGTUNAY-VQTJNVASSA-N 0 3 364.555 3.368 20 10 FGCDHN CC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])NC(=O)OC(C)(C)C ZINC000302120570 713783034 /nfs/dbraw/zinc/78/30/34/713783034.db2.gz UKVMQNXVPDQCHZ-ZDUSSCGKSA-N 0 3 358.866 3.447 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000715147047 722415694 /nfs/dbraw/zinc/41/56/94/722415694.db2.gz SPLWEDJJBKCVFD-VDISTLRHSA-N 0 3 370.877 3.447 20 10 FGCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732797008 722488600 /nfs/dbraw/zinc/48/86/00/722488600.db2.gz DNZKOLJSCHSBDO-OAHLLOKOSA-N 0 3 352.356 3.140 20 10 FGCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732797008 722488601 /nfs/dbraw/zinc/48/86/01/722488601.db2.gz DNZKOLJSCHSBDO-OAHLLOKOSA-N 0 3 352.356 3.140 20 10 FGCDHN CN1CCN([C@@H](C[NH2+]Cc2c([O-])cccc2Cl)c2cccs2)CC1 ZINC000733322892 722495731 /nfs/dbraw/zinc/49/57/31/722495731.db2.gz VAOGDSBCTKABKZ-INIZCTEOSA-N 0 3 365.930 3.185 20 10 FGCDHN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000756443707 722964724 /nfs/dbraw/zinc/96/47/24/722964724.db2.gz ICXFTTHBEYLWEE-CYBMUJFWSA-N 0 3 366.458 3.069 20 10 FGCDHN COC(=O)CC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCCC1 ZINC000793231523 723414267 /nfs/dbraw/zinc/41/42/67/723414267.db2.gz PUBDBLCNLFMRJH-UHFFFAOYSA-N 0 3 356.260 3.429 20 10 FGCDHN CCOC(=O)C1(COC)CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000793367193 723431292 /nfs/dbraw/zinc/43/12/92/723431292.db2.gz UPBBZBSZTISOHQ-UHFFFAOYSA-N 0 3 355.862 3.146 20 10 FGCDHN C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000794826551 723547861 /nfs/dbraw/zinc/54/78/61/723547861.db2.gz CJUDXMJUUYMREO-BJOHPYRUSA-N 0 3 367.218 3.171 20 10 FGCDHN O[C@@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)C(F)(F)F ZINC000796276498 723629754 /nfs/dbraw/zinc/62/97/54/723629754.db2.gz ZLVCWXIFQBDKKV-SFHVURJKSA-N 0 3 350.384 3.262 20 10 FGCDHN C[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437970 723657510 /nfs/dbraw/zinc/65/75/10/723657510.db2.gz MAAAPXBPAZRFGJ-INIZCTEOSA-N 0 3 364.239 3.213 20 10 FGCDHN C[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437970 723657511 /nfs/dbraw/zinc/65/75/11/723657511.db2.gz MAAAPXBPAZRFGJ-INIZCTEOSA-N 0 3 364.239 3.213 20 10 FGCDHN CN(C)c1ccc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000769334039 723682801 /nfs/dbraw/zinc/68/28/01/723682801.db2.gz NHVGNDJUBMRWQD-HNNXBMFYSA-N 0 3 351.466 3.333 20 10 FGCDHN CS(=O)(=O)c1ccc(CNCc2ccccc2O)cc1C(F)(F)F ZINC000775038015 723954971 /nfs/dbraw/zinc/95/49/71/723954971.db2.gz SMKKOIJRDHCOAS-UHFFFAOYSA-N 0 3 359.369 3.104 20 10 FGCDHN CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1C(F)(F)F ZINC000775038015 723954972 /nfs/dbraw/zinc/95/49/72/723954972.db2.gz SMKKOIJRDHCOAS-UHFFFAOYSA-N 0 3 359.369 3.104 20 10 FGCDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000775998505 724095806 /nfs/dbraw/zinc/09/58/06/724095806.db2.gz FQBUEOPFCMKFPG-NEPJUHHUSA-N 0 3 356.850 3.011 20 10 FGCDHN CCCNC(=O)OC[C@H]1CCCCN1Cc1cccc(OCC)c1O ZINC000809725890 725263341 /nfs/dbraw/zinc/26/33/41/725263341.db2.gz FMQUZNBFFYYLLQ-MRXNPFEDSA-N 0 3 350.459 3.282 20 10 FGCDHN C[NH+](C)CCCOc1cnccc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000809787000 725268728 /nfs/dbraw/zinc/26/87/28/725268728.db2.gz PZGIVHFOPPKEKS-UHFFFAOYSA-N 0 3 367.852 3.200 20 10 FGCDHN Cc1ccc(O)c(CN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000813792768 726914773 /nfs/dbraw/zinc/91/47/73/726914773.db2.gz WQQQXZUMQYEFCS-OAHLLOKOSA-N 0 3 354.219 3.425 20 10 FGCDHN COCC1(CC[NH2+]Cc2cc(Br)cc(OC)c2[O-])CCC1 ZINC000815148544 727045734 /nfs/dbraw/zinc/04/57/34/727045734.db2.gz ZCCPLLXRNWIYJQ-UHFFFAOYSA-N 0 3 358.276 3.460 20 10 FGCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822659008 729206153 /nfs/dbraw/zinc/20/61/53/729206153.db2.gz IRYZOOAPINQIIT-CQSZACIVSA-N 0 3 369.303 3.376 20 10 FGCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822659008 729206154 /nfs/dbraw/zinc/20/61/54/729206154.db2.gz IRYZOOAPINQIIT-CQSZACIVSA-N 0 3 369.303 3.376 20 10 FGCDHN Cc1nnsc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876999366 736173384 /nfs/dbraw/zinc/17/33/84/736173384.db2.gz TWSVXWXYNCHRIM-UHFFFAOYSA-N 0 3 354.426 3.207 20 10 FGCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000834597273 729817052 /nfs/dbraw/zinc/81/70/52/729817052.db2.gz FYHVSKKXNZBBPW-ZBFHGGJFSA-N 0 3 361.825 3.127 20 10 FGCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cccc(OC)c2O)c1 ZINC000840955916 730196930 /nfs/dbraw/zinc/19/69/30/730196930.db2.gz APNGMWGHJCAXRJ-UHFFFAOYSA-N 0 3 369.870 3.138 20 10 FGCDHN CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000841041217 730205493 /nfs/dbraw/zinc/20/54/93/730205493.db2.gz BZRYCMWNOLLDFQ-INIZCTEOSA-N 0 3 364.287 3.010 20 10 FGCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000841756161 730271131 /nfs/dbraw/zinc/27/11/31/730271131.db2.gz UMBDVFPJLSISAY-FOIQADDNSA-N 0 3 360.885 3.333 20 10 FGCDHN CN1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccccc1 ZINC000845082261 730808539 /nfs/dbraw/zinc/80/85/39/730808539.db2.gz VZRSBDNHCNTRAL-WMZOPIPTSA-N 0 3 359.857 3.290 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1[O-] ZINC000848527525 731175720 /nfs/dbraw/zinc/17/57/20/731175720.db2.gz CCGUYMCOXZWEBG-BXUZGUMPSA-N 0 3 369.303 3.298 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)c1[O-] ZINC000848528852 731176044 /nfs/dbraw/zinc/17/60/44/731176044.db2.gz ILAZUYZUZIMKLH-ZWNOBZJWSA-N 0 3 370.243 3.449 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1[O-] ZINC000848532339 731176314 /nfs/dbraw/zinc/17/63/14/731176314.db2.gz FWBLPAWPUDSHSP-PGUXBMHVSA-N 0 3 369.303 3.297 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)c1[O-] ZINC000848547081 731179122 /nfs/dbraw/zinc/17/91/22/731179122.db2.gz JITIVILNFSEKOT-LLVKDONJSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC=CCC2)c1[O-] ZINC000848549851 731179787 /nfs/dbraw/zinc/17/97/87/731179787.db2.gz VYUXLQNEPBLSMH-GFCCVEGCSA-N 0 3 355.276 3.076 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)c1[O-] ZINC000848553292 731180563 /nfs/dbraw/zinc/18/05/63/731180563.db2.gz LQSDMTDCDGYWFH-GMXVVIOVSA-N 0 3 358.276 3.365 20 10 FGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850435009 731356856 /nfs/dbraw/zinc/35/68/56/731356856.db2.gz FWQIFHBICNGKBK-DLBZAZTESA-N 0 3 350.890 3.311 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2(O)CCC(C)CC2)c1[O-] ZINC000853092386 731664139 /nfs/dbraw/zinc/66/41/39/731664139.db2.gz OGBDQQHHDVDMIH-UHFFFAOYSA-N 0 3 358.276 3.194 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C)nc1Br ZINC000858179407 732189634 /nfs/dbraw/zinc/18/96/34/732189634.db2.gz MXQSYTOGNAGWDD-CYBMUJFWSA-N 0 3 365.319 3.278 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602527 732230614 /nfs/dbraw/zinc/23/06/14/732230614.db2.gz AWBMREGVISKLCS-XHDPSFHLSA-N 0 3 367.287 3.267 20 10 FGCDHN COc1ccc(CNCc2c(C(F)(F)F)nc3n2CCCC3)c(O)c1 ZINC000877494479 736672467 /nfs/dbraw/zinc/67/24/67/736672467.db2.gz XFDBFHJTMTVNTP-UHFFFAOYSA-N 0 3 355.360 3.242 20 10 FGCDHN COc1ccc(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)c([O-])c1 ZINC000877494479 736672471 /nfs/dbraw/zinc/67/24/71/736672471.db2.gz XFDBFHJTMTVNTP-UHFFFAOYSA-N 0 3 355.360 3.242 20 10 FGCDHN COc1cccc(CNCc2c(C(F)(F)F)nc3n2CCCC3)c1O ZINC000877525503 736678431 /nfs/dbraw/zinc/67/84/31/736678431.db2.gz FYAYNBARPRGVTD-UHFFFAOYSA-N 0 3 355.360 3.242 20 10 FGCDHN COc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c(OC)cc1Cl ZINC000879648244 737023204 /nfs/dbraw/zinc/02/32/04/737023204.db2.gz GJXKIUOCQHQXQP-LLVKDONJSA-N 0 3 364.829 3.352 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)CC(F)(F)F)N(C)C)cc1 ZINC000891245240 739885959 /nfs/dbraw/zinc/88/59/59/739885959.db2.gz AXGAGXMGAAMRIU-OAHLLOKOSA-N 0 3 359.436 3.450 20 10 FGCDHN O=C(NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)C1CCOCC1 ZINC000107669701 494581300 /nfs/dbraw/zinc/58/13/00/494581300.db2.gz ICCDGWMTSMLUSG-UHFFFAOYSA-N 0 3 368.477 3.053 20 10 FGCDHN C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CCN1Cc1ccccc1 ZINC000080105831 494597465 /nfs/dbraw/zinc/59/74/65/494597465.db2.gz GJYDNRUNRXAZFL-QFBILLFUSA-N 0 3 353.466 3.245 20 10 FGCDHN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCN1Cc1ccccc1 ZINC000080105840 494598092 /nfs/dbraw/zinc/59/80/92/494598092.db2.gz GJYDNRUNRXAZFL-LPHOPBHVSA-N 0 3 353.466 3.245 20 10 FGCDHN CCOc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000121305646 494693155 /nfs/dbraw/zinc/69/31/55/494693155.db2.gz YUDLHWLKJFELLL-UHFFFAOYSA-N 0 3 356.466 3.260 20 10 FGCDHN CCOc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000121305646 494693168 /nfs/dbraw/zinc/69/31/68/494693168.db2.gz YUDLHWLKJFELLL-UHFFFAOYSA-N 0 3 356.466 3.260 20 10 FGCDHN CCOc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000121305646 494693175 /nfs/dbraw/zinc/69/31/75/494693175.db2.gz YUDLHWLKJFELLL-UHFFFAOYSA-N 0 3 356.466 3.260 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000093134352 494831945 /nfs/dbraw/zinc/83/19/45/494831945.db2.gz FPQUDEMERFMSCX-INIZCTEOSA-N 0 3 356.470 3.098 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c([O-])c1 ZINC000093134352 494831949 /nfs/dbraw/zinc/83/19/49/494831949.db2.gz FPQUDEMERFMSCX-INIZCTEOSA-N 0 3 356.470 3.098 20 10 FGCDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)c1 ZINC000130076381 495338448 /nfs/dbraw/zinc/33/84/48/495338448.db2.gz NCZCDSHQVNFUGP-DZGCQCFKSA-N 0 3 350.413 3.341 20 10 FGCDHN CCNC(=O)COc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000124901321 495362342 /nfs/dbraw/zinc/36/23/42/495362342.db2.gz JLZRXKDAVYJJQO-MRXNPFEDSA-N 0 3 355.482 3.118 20 10 FGCDHN CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179585357 495650344 /nfs/dbraw/zinc/65/03/44/495650344.db2.gz WMVHXUHBXWLLPH-UHFFFAOYSA-N 0 3 364.486 3.288 20 10 FGCDHN COc1cc([O-])c(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1OC ZINC000180243279 495922399 /nfs/dbraw/zinc/92/23/99/495922399.db2.gz PIFQBWOKUKXONW-GOSISDBHSA-N 0 3 357.450 3.281 20 10 FGCDHN COc1cc([O-])c(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1OC ZINC000180243279 495922403 /nfs/dbraw/zinc/92/24/03/495922403.db2.gz PIFQBWOKUKXONW-GOSISDBHSA-N 0 3 357.450 3.281 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183454300 495990840 /nfs/dbraw/zinc/99/08/40/495990840.db2.gz MYEBVVJVJFTJCL-OAHLLOKOSA-N 0 3 362.495 3.274 20 10 FGCDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161424021 496173477 /nfs/dbraw/zinc/17/34/77/496173477.db2.gz OALYALJWXMIWFH-CABCVRRESA-N 0 3 361.511 3.073 20 10 FGCDHN COc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000180896029 496191261 /nfs/dbraw/zinc/19/12/61/496191261.db2.gz JOUNSXPJSMRFQO-UHFFFAOYSA-N 0 3 374.868 3.449 20 10 FGCDHN COc1cc(Cl)cc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000184939464 496593111 /nfs/dbraw/zinc/59/31/11/496593111.db2.gz JFORUXBJIUFRQO-WNSKOXEYSA-N 0 3 353.871 3.264 20 10 FGCDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268757558 496776292 /nfs/dbraw/zinc/77/62/92/496776292.db2.gz MBEQCVBAJYVAGY-IAGOWNOFSA-N 0 3 350.528 3.152 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c([O-])c1 ZINC000273463004 496812696 /nfs/dbraw/zinc/81/26/96/496812696.db2.gz DDSAGWGHFMDBNZ-CABCVRRESA-N 0 3 362.495 3.363 20 10 FGCDHN COc1cc(O)c(CN[C@@H](Cc2nc(C)no2)c2ccccc2)cc1OC ZINC000277581135 496819712 /nfs/dbraw/zinc/81/97/12/496819712.db2.gz UBHJLRCWJMGESQ-INIZCTEOSA-N 0 3 369.421 3.174 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1OC ZINC000273702289 496879380 /nfs/dbraw/zinc/87/93/80/496879380.db2.gz DPAWJBNMSSUSRP-UHFFFAOYSA-N 0 3 357.450 3.329 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000236919221 497168200 /nfs/dbraw/zinc/16/82/00/497168200.db2.gz ZEJQLQSXPZDBEK-FZMZJTMJSA-N 0 3 355.276 3.021 20 10 FGCDHN COc1ccc(CNCc2cccc(OC)c2O)cc1Br ZINC000237221378 497205427 /nfs/dbraw/zinc/20/54/27/497205427.db2.gz NYLSWCKHDFNVEL-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)ccc1[O-] ZINC000279017257 497305027 /nfs/dbraw/zinc/30/50/27/497305027.db2.gz UKKLQRNKLJAYBS-RYUDHWBXSA-N 0 3 350.260 3.264 20 10 FGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1O ZINC000267298847 497519052 /nfs/dbraw/zinc/51/90/52/497519052.db2.gz FFYCUUUYXPLCGF-QFBILLFUSA-N 0 3 353.466 3.102 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(C)cc1[O-] ZINC000280016533 497620706 /nfs/dbraw/zinc/62/07/06/497620706.db2.gz HAFALYMTMDGZHB-GOSISDBHSA-N 0 3 359.445 3.312 20 10 FGCDHN Fc1ccc(-n2nccc2CNCc2ccc(N3CCOCC3)cc2)cc1 ZINC000280015131 497620846 /nfs/dbraw/zinc/62/08/46/497620846.db2.gz STIWJFIACQMKCN-UHFFFAOYSA-N 0 3 366.440 3.138 20 10 FGCDHN COc1cccc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000272646227 497688960 /nfs/dbraw/zinc/68/89/60/497688960.db2.gz PAGHTWQVKRZXAP-KGLIPLIRSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000272646227 497688953 /nfs/dbraw/zinc/68/89/53/497688953.db2.gz PAGHTWQVKRZXAP-KGLIPLIRSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc(O)c(CN[C@H](c2cccs2)C(C)(C)CO)cc1OC ZINC000296095121 497917967 /nfs/dbraw/zinc/91/79/67/497917967.db2.gz TVLAGWZPJXFAMT-QGZVFWFLSA-N 0 3 351.468 3.320 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364416338 497945443 /nfs/dbraw/zinc/94/54/43/497945443.db2.gz LMWKBXAHAYBRFD-JTDSTZFVSA-N 0 3 360.498 3.191 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c([O-])c1 ZINC000285302457 498047169 /nfs/dbraw/zinc/04/71/69/498047169.db2.gz SCHHWEVWXNMZJM-QGZVFWFLSA-N 0 3 368.477 3.332 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCC(NC(=O)c3occc3C)CC2)c1 ZINC000364636285 498062159 /nfs/dbraw/zinc/06/21/59/498062159.db2.gz XXEWMNJLECJDNU-CQSZACIVSA-N 0 3 358.438 3.258 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(NC(=O)c3occc3C)CC2)c1 ZINC000364636285 498062169 /nfs/dbraw/zinc/06/21/69/498062169.db2.gz XXEWMNJLECJDNU-CQSZACIVSA-N 0 3 358.438 3.258 20 10 FGCDHN COCCCOc1ccc(CNCc2cc(OC)c(OC)cc2O)cc1 ZINC000289342874 498112552 /nfs/dbraw/zinc/11/25/52/498112552.db2.gz IBTMWWGNNKYSAL-UHFFFAOYSA-N 0 3 361.438 3.115 20 10 FGCDHN COCCCOc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000289342874 498112557 /nfs/dbraw/zinc/11/25/57/498112557.db2.gz IBTMWWGNNKYSAL-UHFFFAOYSA-N 0 3 361.438 3.115 20 10 FGCDHN C[C@H](N[C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000364938629 498219162 /nfs/dbraw/zinc/21/91/62/498219162.db2.gz JRUAFCFIPPGLLJ-SGXKBVARSA-N 0 3 352.478 3.395 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)c1ccc(F)cc1[O-] ZINC000286281777 498350297 /nfs/dbraw/zinc/35/02/97/498350297.db2.gz VTLDOWYBATXSHC-IBGZPJMESA-N 0 3 373.472 3.064 20 10 FGCDHN COc1cccc(NC2CCN(Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000362045632 498457473 /nfs/dbraw/zinc/45/74/73/498457473.db2.gz MFCMFYLPKHJZJA-UHFFFAOYSA-N 0 3 372.465 3.495 20 10 FGCDHN O=S1(=O)CC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000293790048 498489892 /nfs/dbraw/zinc/48/98/92/498489892.db2.gz QOGAPJUAZZDDIP-IEBWSBKVSA-N 0 3 359.491 3.090 20 10 FGCDHN C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000282440993 498514782 /nfs/dbraw/zinc/51/47/82/498514782.db2.gz NATUOEHDPPJIKY-KBXCAEBGSA-N 0 3 358.461 3.124 20 10 FGCDHN CC[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000290372802 498526478 /nfs/dbraw/zinc/52/64/78/498526478.db2.gz RJHNVDUMYJSXDZ-SFHVURJKSA-N 0 3 361.461 3.498 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282550477 498555122 /nfs/dbraw/zinc/55/51/22/498555122.db2.gz XDIHYMUQKNPVOB-HOCLYGCPSA-N 0 3 355.438 3.358 20 10 FGCDHN O=S1(=O)CCC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000294287664 498645230 /nfs/dbraw/zinc/64/52/30/498645230.db2.gz MQQHLQLCGFJDTN-UYAOXDASSA-N 0 3 373.518 3.481 20 10 FGCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1C ZINC000294738374 498788267 /nfs/dbraw/zinc/78/82/67/498788267.db2.gz DTASUNCFKXILII-IBGZPJMESA-N 0 3 355.482 3.139 20 10 FGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1C ZINC000294738374 498788272 /nfs/dbraw/zinc/78/82/72/498788272.db2.gz DTASUNCFKXILII-IBGZPJMESA-N 0 3 355.482 3.139 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(N2CCCNC2=O)cc1 ZINC000291151692 498818358 /nfs/dbraw/zinc/81/83/58/498818358.db2.gz ZMGNJPMGHZTWSI-OAHLLOKOSA-N 0 3 351.450 3.392 20 10 FGCDHN Cn1cc([C@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000294939031 498855301 /nfs/dbraw/zinc/85/53/01/498855301.db2.gz XXICAKWXXZMVEC-PZJWPPBQSA-N 0 3 351.450 3.123 20 10 FGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000366565985 498981278 /nfs/dbraw/zinc/98/12/78/498981278.db2.gz FNFUQGKPEBTKHK-KRWDZBQOSA-N 0 3 373.522 3.139 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]C1CCC(O)(c3cccc(F)c3)CC1)OCO2 ZINC000363868963 499031894 /nfs/dbraw/zinc/03/18/94/499031894.db2.gz PGNDKIHLIZRVNZ-UHFFFAOYSA-N 0 3 359.397 3.180 20 10 FGCDHN C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000367413781 499196098 /nfs/dbraw/zinc/19/60/98/499196098.db2.gz WECNNSNEPWIREJ-UWJYYQICSA-N 0 3 371.525 3.107 20 10 FGCDHN COCc1nccc([C@@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000367419122 499196710 /nfs/dbraw/zinc/19/67/10/499196710.db2.gz OAWKKETWRMIXMM-MRXNPFEDSA-N 0 3 358.461 3.208 20 10 FGCDHN C[C@H](NCc1cnc2n1CCCC2)c1ccc(N2CCC(O)CC2)cc1 ZINC000367439209 499198874 /nfs/dbraw/zinc/19/88/74/499198874.db2.gz SERGCPOTUNDWIO-INIZCTEOSA-N 0 3 354.498 3.031 20 10 FGCDHN CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000367568932 499213573 /nfs/dbraw/zinc/21/35/73/499213573.db2.gz CQRAOSZEXLOPFR-UHFFFAOYSA-N 0 3 368.477 3.494 20 10 FGCDHN CC[C@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000373545130 499476147 /nfs/dbraw/zinc/47/61/47/499476147.db2.gz DZAOZZSDGZJMBG-HTWSVDAQSA-N 0 3 366.527 3.088 20 10 FGCDHN COc1cccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000373608643 499479671 /nfs/dbraw/zinc/47/96/71/499479671.db2.gz DMJLUKBJXYGSIH-UHFFFAOYSA-N 0 3 363.408 3.450 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621084 499711564 /nfs/dbraw/zinc/71/15/64/499711564.db2.gz GHXQSRBWTDSQNP-GDBMZVCRSA-N 0 3 374.485 3.140 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621084 499711566 /nfs/dbraw/zinc/71/15/66/499711566.db2.gz GHXQSRBWTDSQNP-GDBMZVCRSA-N 0 3 374.485 3.140 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CCN(C(C)C)C3)ccc21 ZINC000457119254 501653811 /nfs/dbraw/zinc/65/38/11/501653811.db2.gz NIHTUGJAHOYJPR-IBGZPJMESA-N 0 3 371.525 3.459 20 10 FGCDHN CCN1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490645228 503208805 /nfs/dbraw/zinc/20/88/05/503208805.db2.gz BFNCIZPATHZJHJ-UHFFFAOYSA-N 0 3 357.498 3.072 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)c1 ZINC000527775863 503938587 /nfs/dbraw/zinc/93/85/87/503938587.db2.gz WLCSADWYGPKKRH-SFHVURJKSA-N 0 3 356.466 3.164 20 10 FGCDHN [O-]c1ccccc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529660872 504753842 /nfs/dbraw/zinc/75/38/42/504753842.db2.gz GQONMZIJTOMQQG-UHFFFAOYSA-N 0 3 357.454 3.124 20 10 FGCDHN CC1CCN(c2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)cc2)CC1 ZINC000820727861 606218440 /nfs/dbraw/zinc/21/84/40/606218440.db2.gz PSQVPPLEQNPDHO-UHFFFAOYSA-N 0 3 368.510 3.454 20 10 FGCDHN CCS[C@@H]1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067482 700222942 /nfs/dbraw/zinc/22/29/42/700222942.db2.gz MPQPSPHRNNPWPD-RBUKOAKNSA-N 0 3 363.571 3.317 20 10 FGCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)c1ccccc1[O-] ZINC000156808637 705132620 /nfs/dbraw/zinc/13/26/20/705132620.db2.gz VJTWJJYSKRAFNQ-OAHLLOKOSA-N 0 3 368.524 3.090 20 10 FGCDHN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000158574757 705191017 /nfs/dbraw/zinc/19/10/17/705191017.db2.gz SOLLHQOKDLLSQI-KBPBESRZSA-N 0 3 351.443 3.353 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000779093748 724389856 /nfs/dbraw/zinc/38/98/56/724389856.db2.gz JJKXAXFZSMIVMN-ZDUSSCGKSA-N 0 3 357.347 3.491 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164850 724397405 /nfs/dbraw/zinc/39/74/05/724397405.db2.gz ZVTUAEIFJMNFJZ-ZIAGYGMSSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164850 724397412 /nfs/dbraw/zinc/39/74/12/724397412.db2.gz ZVTUAEIFJMNFJZ-ZIAGYGMSSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000780562722 724480050 /nfs/dbraw/zinc/48/00/50/724480050.db2.gz JWUQUTURHBTLQX-AWEZNQCLSA-N 0 3 350.459 3.280 20 10 FGCDHN Cc1ccc(O)c(CNCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000733323339 722495720 /nfs/dbraw/zinc/49/57/20/722495720.db2.gz UZJAJYQXSPRYLJ-UHFFFAOYSA-N 0 3 363.255 3.500 20 10 FGCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000733326312 722495770 /nfs/dbraw/zinc/49/57/70/722495770.db2.gz WGRYZWBGSYPWTD-ZDUSSCGKSA-N 0 3 365.474 3.114 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1[O-] ZINC000742377594 722556608 /nfs/dbraw/zinc/55/66/08/722556608.db2.gz WFMCROVSKTUYOT-APHBMKBZSA-N 0 3 370.287 3.457 20 10 FGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@@]12CCCO2 ZINC000761225601 723134640 /nfs/dbraw/zinc/13/46/40/723134640.db2.gz JWMRAVDERDMFHO-INMHGKMJSA-N 0 3 370.287 3.279 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000791003797 723204487 /nfs/dbraw/zinc/20/44/87/723204487.db2.gz IHGQELSMGFYPCE-AWEZNQCLSA-N 0 3 351.393 3.010 20 10 FGCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000769513829 723688328 /nfs/dbraw/zinc/68/83/28/723688328.db2.gz FPVHQSUJEQRZKO-AWEZNQCLSA-N 0 3 353.304 3.318 20 10 FGCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000769513829 723688329 /nfs/dbraw/zinc/68/83/29/723688329.db2.gz FPVHQSUJEQRZKO-AWEZNQCLSA-N 0 3 353.304 3.318 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000775158241 723966146 /nfs/dbraw/zinc/96/61/46/723966146.db2.gz KEFSBZWPFADREM-OAHLLOKOSA-N 0 3 354.219 3.425 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000776252321 724123922 /nfs/dbraw/zinc/12/39/22/724123922.db2.gz QLCPNZDIMDBHRW-MRXNPFEDSA-N 0 3 368.246 3.295 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)[C@H](O)CO2 ZINC000800865016 724239572 /nfs/dbraw/zinc/23/95/72/724239572.db2.gz WRABIVJPRPWDEG-GDBMZVCRSA-N 0 3 357.372 3.373 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)[C@H](O)CO2 ZINC000800865016 724239574 /nfs/dbraw/zinc/23/95/74/724239574.db2.gz WRABIVJPRPWDEG-GDBMZVCRSA-N 0 3 357.372 3.373 20 10 FGCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cc(Cl)cs3)cc2)C1 ZINC000785431067 724912026 /nfs/dbraw/zinc/91/20/26/724912026.db2.gz DNOJISMZJOCAIQ-CQSZACIVSA-N 0 3 363.914 3.393 20 10 FGCDHN COc1cccc(O)c1CNCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000786824423 725002108 /nfs/dbraw/zinc/00/21/08/725002108.db2.gz WLSUITQRDLWOGW-UHFFFAOYSA-N 0 3 358.829 3.233 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000786824423 725002110 /nfs/dbraw/zinc/00/21/10/725002110.db2.gz WLSUITQRDLWOGW-UHFFFAOYSA-N 0 3 358.829 3.233 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1[O-] ZINC000808673386 725212955 /nfs/dbraw/zinc/21/29/55/725212955.db2.gz CFVMNGYTZAYXNY-AWEZNQCLSA-N 0 3 361.873 3.436 20 10 FGCDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000809713945 725261975 /nfs/dbraw/zinc/26/19/75/725261975.db2.gz RNHCHEBFIKNBEF-HNNXBMFYSA-N 0 3 369.303 3.344 20 10 FGCDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1[O-] ZINC000809713945 725261977 /nfs/dbraw/zinc/26/19/77/725261977.db2.gz RNHCHEBFIKNBEF-HNNXBMFYSA-N 0 3 369.303 3.344 20 10 FGCDHN CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000809725910 725263375 /nfs/dbraw/zinc/26/33/75/725263375.db2.gz GBMBAVWFJVUKTH-MRXNPFEDSA-N 0 3 350.459 3.282 20 10 FGCDHN CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000809725910 725263376 /nfs/dbraw/zinc/26/33/76/725263376.db2.gz GBMBAVWFJVUKTH-MRXNPFEDSA-N 0 3 350.459 3.282 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000824514640 729344636 /nfs/dbraw/zinc/34/46/36/729344636.db2.gz AJDIZXRTTVXKPJ-CYBMUJFWSA-N 0 3 351.855 3.015 20 10 FGCDHN C[C@@](CO)(NCc1cc2c(cc1O)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000825129950 729372113 /nfs/dbraw/zinc/37/21/13/729372113.db2.gz IPSBSCOKZRDHOG-KRWDZBQOSA-N 0 3 370.232 3.425 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1[O-] ZINC000826911375 729418811 /nfs/dbraw/zinc/41/88/11/729418811.db2.gz YKKMTKJSAXYTOC-LAPQFRIASA-N 0 3 360.317 3.242 20 10 FGCDHN COc1cc(Br)cc(CN2C[C@]3(C)COC[C@]3(C)C2)c1O ZINC000827018494 729421720 /nfs/dbraw/zinc/42/17/20/729421720.db2.gz WIRJMHAIYGHBIA-IYBDPMFKSA-N 0 3 356.260 3.022 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841763710 730271729 /nfs/dbraw/zinc/27/17/29/730271729.db2.gz AJIJKRWYZCVTOM-CMPLNLGQSA-N 0 3 363.246 3.453 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cccnc2)c1[O-] ZINC000848518916 731174282 /nfs/dbraw/zinc/17/42/82/731174282.db2.gz OHAJOEOFZKQGHQ-LLVKDONJSA-N 0 3 351.244 3.452 20 10 FGCDHN CCN(CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000848526078 731175228 /nfs/dbraw/zinc/17/52/28/731175228.db2.gz VLPOJGZGCGBYRS-NSHDSACASA-N 0 3 357.292 3.298 20 10 FGCDHN CCc1cc(CN[C@H](C)c2cc(Br)cc(OC)c2O)[nH]n1 ZINC000848529999 731176102 /nfs/dbraw/zinc/17/61/02/731176102.db2.gz AYKNHUBRKBRQOT-SECBINFHSA-N 0 3 354.248 3.300 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000848535234 731177315 /nfs/dbraw/zinc/17/73/15/731177315.db2.gz FGMULXNBQQJJAV-BXKDBHETSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc([C@H](C)NC[C@@H](OC)C(F)(F)F)c1O ZINC000848540884 731178301 /nfs/dbraw/zinc/17/83/01/731178301.db2.gz JDCCQBQJHXVQFE-WRWORJQWSA-N 0 3 372.181 3.391 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)c1[O-] ZINC000848540884 731178302 /nfs/dbraw/zinc/17/83/02/731178302.db2.gz JDCCQBQJHXVQFE-WRWORJQWSA-N 0 3 372.181 3.391 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1[O-] ZINC000848548075 731179459 /nfs/dbraw/zinc/17/94/59/731179459.db2.gz ULLNFWSDQBXYFZ-ZYHUDNBSSA-N 0 3 366.259 3.025 20 10 FGCDHN CCN(CC)c1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1F ZINC000850348045 731345825 /nfs/dbraw/zinc/34/58/25/731345825.db2.gz DDYCEVIMAGISFS-HSZRJFAPSA-N 0 3 354.413 3.073 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1[O-] ZINC000850352021 731347032 /nfs/dbraw/zinc/34/70/32/731347032.db2.gz YSPICPVBTTYSSA-ZDUSSCGKSA-N 0 3 357.292 3.126 20 10 FGCDHN CCCN(C)CC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000850409786 731353861 /nfs/dbraw/zinc/35/38/61/731353861.db2.gz GKKWVLHGUWNRDB-UHFFFAOYSA-N 0 3 359.308 3.373 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000862482450 732839948 /nfs/dbraw/zinc/83/99/48/732839948.db2.gz UCUXIBBNVADWKR-QGZVFWFLSA-N 0 3 350.821 3.180 20 10 FGCDHN CCC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000862536749 732846148 /nfs/dbraw/zinc/84/61/48/732846148.db2.gz ULVZOPKXMJUCHR-UHFFFAOYSA-N 0 3 352.906 3.431 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)N[C@H](C)c2ccnn2C)c1O ZINC000866615528 733374593 /nfs/dbraw/zinc/37/45/93/733374593.db2.gz UYHBCMHJJYRGDK-NXEZZACHSA-N 0 3 354.248 3.309 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@H]2CCCO2)c1[O-] ZINC000886669643 739280696 /nfs/dbraw/zinc/28/06/96/739280696.db2.gz BODBWKGVSPJKCO-FPMFFAJLSA-N 0 3 358.276 3.044 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c([O-])c1 ZINC000903477859 743854533 /nfs/dbraw/zinc/85/45/33/743854533.db2.gz DCNJLPVTEBKIBJ-RYUDHWBXSA-N 0 3 350.260 3.325 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000926909601 759843541 /nfs/dbraw/zinc/84/35/41/759843541.db2.gz YSBINYWDCSYRMO-IUODEOHRSA-N 0 3 363.454 3.315 20 10 FGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000045410220 494426499 /nfs/dbraw/zinc/42/64/99/494426499.db2.gz VJCDPNUFSCRDLZ-UHFFFAOYSA-N 0 3 370.541 3.445 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000093134493 494831804 /nfs/dbraw/zinc/83/18/04/494831804.db2.gz NKNDLSXBVWRQBH-GOSISDBHSA-N 0 3 353.514 3.450 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1[O-] ZINC000093770995 494920069 /nfs/dbraw/zinc/92/00/69/494920069.db2.gz VXDADFAENZEMLA-AWEZNQCLSA-N 0 3 360.420 3.497 20 10 FGCDHN CCOc1cccc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1[O-] ZINC000093770995 494920071 /nfs/dbraw/zinc/92/00/71/494920071.db2.gz VXDADFAENZEMLA-AWEZNQCLSA-N 0 3 360.420 3.497 20 10 FGCDHN CN(C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000117974903 494967478 /nfs/dbraw/zinc/96/74/78/494967478.db2.gz NTGNBIKYWBBUNE-FQEVSTJZSA-N 0 3 368.477 3.275 20 10 FGCDHN CN(C)Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000133910334 495078940 /nfs/dbraw/zinc/07/89/40/495078940.db2.gz YSVXFAXOPWHJLH-UHFFFAOYSA-N 0 3 350.466 3.446 20 10 FGCDHN COc1cc(Br)c(CNCc2ccccc2O)cc1OC ZINC000134237376 495125025 /nfs/dbraw/zinc/12/50/25/495125025.db2.gz VWOMFCADJFRZCF-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000154741632 495713740 /nfs/dbraw/zinc/71/37/40/495713740.db2.gz YTSKRQSSZHMPPT-UHFFFAOYSA-N 0 3 356.441 3.368 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000179873308 495766663 /nfs/dbraw/zinc/76/66/63/495766663.db2.gz SBCYMFDCOWMFBZ-UHFFFAOYSA-N 0 3 366.461 3.202 20 10 FGCDHN COc1ccc(O)c(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000179873308 495766669 /nfs/dbraw/zinc/76/66/69/495766669.db2.gz SBCYMFDCOWMFBZ-UHFFFAOYSA-N 0 3 366.461 3.202 20 10 FGCDHN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183446724 495988401 /nfs/dbraw/zinc/98/84/01/495988401.db2.gz XOSLIAOVLCFOJI-HNNXBMFYSA-N 0 3 362.495 3.071 20 10 FGCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000180724257 496118966 /nfs/dbraw/zinc/11/89/66/496118966.db2.gz ZJISEAYNJVFIEQ-BVBGJJFLSA-N 0 3 372.490 3.201 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)cc1OC ZINC000181068671 496258710 /nfs/dbraw/zinc/25/87/10/496258710.db2.gz VEPPXQBSHMPBLN-MRXNPFEDSA-N 0 3 360.454 3.238 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(NC(C)=O)cc3)c2)CC1 ZINC000184273274 496314255 /nfs/dbraw/zinc/31/42/55/496314255.db2.gz FAEPRWMCMPBIRF-UHFFFAOYSA-N 0 3 366.465 3.039 20 10 FGCDHN COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178449490 496461426 /nfs/dbraw/zinc/46/14/26/496461426.db2.gz PZALFHKTBWESRC-MGPUTAFESA-N 0 3 374.456 3.055 20 10 FGCDHN CC[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000163804460 496559227 /nfs/dbraw/zinc/55/92/27/496559227.db2.gz NJSQDPVVTUPXHN-NRFANRHFSA-N 0 3 369.509 3.461 20 10 FGCDHN COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1OCC(=O)N(C)C ZINC000273361001 496783232 /nfs/dbraw/zinc/78/32/32/496783232.db2.gz CZBGJHWHBRQIHG-OAHLLOKOSA-N 0 3 372.465 3.027 20 10 FGCDHN CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000273418214 496800044 /nfs/dbraw/zinc/80/00/44/496800044.db2.gz RLYJQCUKWUUHFP-CQSZACIVSA-N 0 3 374.506 3.030 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000189101821 497009443 /nfs/dbraw/zinc/00/94/43/497009443.db2.gz WJOISHOLTURTCV-BEFAXECRSA-N 0 3 354.450 3.161 20 10 FGCDHN COc1c([O-])c(C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475954 497128018 /nfs/dbraw/zinc/12/80/18/497128018.db2.gz ILYUSQKICNGRMP-ZFWWWQNUSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1c([O-])c(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475954 497128023 /nfs/dbraw/zinc/12/80/23/497128023.db2.gz ILYUSQKICNGRMP-ZFWWWQNUSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1c([O-])c(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475954 497128028 /nfs/dbraw/zinc/12/80/28/497128028.db2.gz ILYUSQKICNGRMP-ZFWWWQNUSA-N 0 3 363.458 3.052 20 10 FGCDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000280126048 497657169 /nfs/dbraw/zinc/65/71/69/497657169.db2.gz OPHANKUHJCSJDM-KBXCAEBGSA-N 0 3 362.495 3.411 20 10 FGCDHN CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(C)cc1[O-] ZINC000280136321 497661035 /nfs/dbraw/zinc/66/10/35/497661035.db2.gz PIYONTSFFABXOL-KDOFPFPSSA-N 0 3 362.495 3.411 20 10 FGCDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000289117845 498023814 /nfs/dbraw/zinc/02/38/14/498023814.db2.gz DEHYMXJWDNJBJU-IBGZPJMESA-N 0 3 356.441 3.448 20 10 FGCDHN O=C1Nc2ccccc2[C@H]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000360188334 498255436 /nfs/dbraw/zinc/25/54/36/498255436.db2.gz OTSKZJNCEUAKBX-HXUWFJFHSA-N 0 3 366.417 3.069 20 10 FGCDHN Cc1cc(Br)cc(CN2CCC3(CC2)OCCCO3)c1O ZINC000293558127 498412115 /nfs/dbraw/zinc/41/21/15/498412115.db2.gz FULFWNBERKQGQI-UHFFFAOYSA-N 0 3 356.260 3.192 20 10 FGCDHN C[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000290209555 498465687 /nfs/dbraw/zinc/46/56/87/498465687.db2.gz HGBCBMWTRHOVEU-CYBMUJFWSA-N 0 3 365.424 3.247 20 10 FGCDHN C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-])N1CCN(C)CC1 ZINC000293887373 498523549 /nfs/dbraw/zinc/52/35/49/498523549.db2.gz VTQDSUBLZDRMSD-KNQAVFIVSA-N 0 3 367.537 3.292 20 10 FGCDHN CS(=O)(=O)C1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000294106693 498591497 /nfs/dbraw/zinc/59/14/97/498591497.db2.gz JRZLSLQAGCXNFC-GOSISDBHSA-N 0 3 359.491 3.233 20 10 FGCDHN COc1c([O-])c(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828033 498658411 /nfs/dbraw/zinc/65/84/11/498658411.db2.gz TZTNSNKGCOFWSM-CRAIPNDOSA-N 0 3 371.437 3.092 20 10 FGCDHN COc1cc(O)c(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1OC ZINC000283079962 498771845 /nfs/dbraw/zinc/77/18/45/498771845.db2.gz RDDUOAXQRPXPMU-INIZCTEOSA-N 0 3 364.873 3.455 20 10 FGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000294847692 498824991 /nfs/dbraw/zinc/82/49/91/498824991.db2.gz SFKXNABNBZSUBK-IFMALSPDSA-N 0 3 355.478 3.443 20 10 FGCDHN Cn1cc([C@@H](O)C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000294939026 498855225 /nfs/dbraw/zinc/85/52/25/498855225.db2.gz XXICAKWXXZMVEC-CTNGQTDRSA-N 0 3 351.450 3.123 20 10 FGCDHN CCOc1cccc(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1[O-] ZINC000367546041 499210701 /nfs/dbraw/zinc/21/07/01/499210701.db2.gz BJGRJUQVAVSRPP-KSSFIOAISA-N 0 3 360.479 3.304 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370372905 499214067 /nfs/dbraw/zinc/21/40/67/499214067.db2.gz GABPAUBEQJXCHS-MJGOQNOKSA-N 0 3 352.478 3.442 20 10 FGCDHN Cc1c[nH]nc1CNC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368074097 499261579 /nfs/dbraw/zinc/26/15/79/499261579.db2.gz UCKXODINOJHZCI-ZDUSSCGKSA-N 0 3 354.376 3.233 20 10 FGCDHN CN1CCC(N(Cc2ccco2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000368136208 499268288 /nfs/dbraw/zinc/26/82/88/499268288.db2.gz TYOWDESXAUPMON-UHFFFAOYSA-N 0 3 369.509 3.213 20 10 FGCDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336665 499312319 /nfs/dbraw/zinc/31/23/19/499312319.db2.gz QGRGREHENGLGAN-QHCPKHFHSA-N 0 3 370.585 3.277 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(N2CCC(O)CC2)cc1 ZINC000368726069 499325743 /nfs/dbraw/zinc/32/57/43/499325743.db2.gz CRYRXKZRARSCEB-KRWDZBQOSA-N 0 3 365.521 3.491 20 10 FGCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000371566518 499342702 /nfs/dbraw/zinc/34/27/02/499342702.db2.gz XZJCZWFUEIEQMK-UHFFFAOYSA-N 0 3 363.408 3.456 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N(C)c3ccccc3)CC2)c1 ZINC000373223014 499458538 /nfs/dbraw/zinc/45/85/38/499458538.db2.gz FVGJIDXJSZZHGH-UHFFFAOYSA-N 0 3 354.450 3.276 20 10 FGCDHN COc1ccc(O)c(CN2CCC(C(=O)N(C)c3ccccc3)CC2)c1 ZINC000373223014 499458539 /nfs/dbraw/zinc/45/85/39/499458539.db2.gz FVGJIDXJSZZHGH-UHFFFAOYSA-N 0 3 354.450 3.276 20 10 FGCDHN COc1cccc(CC(=O)N2CCC([NH2+]Cc3cccc(C)c3[O-])CC2)c1 ZINC000378455948 499519021 /nfs/dbraw/zinc/51/90/21/499519021.db2.gz SLCIJBMCYMQBMZ-UHFFFAOYSA-N 0 3 368.477 3.033 20 10 FGCDHN [O-]c1ccccc1C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000378494204 499524202 /nfs/dbraw/zinc/52/42/02/499524202.db2.gz KJVWBSSRRUPZKX-KRWDZBQOSA-N 0 3 352.482 3.480 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C)c1ccccc1[O-] ZINC000376046419 499578623 /nfs/dbraw/zinc/57/86/23/499578623.db2.gz IXCXTAIEYPTIBO-LUQKVYGDSA-N 0 3 370.497 3.003 20 10 FGCDHN CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000376168356 499588529 /nfs/dbraw/zinc/58/85/29/499588529.db2.gz ULSLAOSPZRUMMI-HNNXBMFYSA-N 0 3 371.485 3.253 20 10 FGCDHN CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000376168356 499588530 /nfs/dbraw/zinc/58/85/30/499588530.db2.gz ULSLAOSPZRUMMI-HNNXBMFYSA-N 0 3 371.485 3.253 20 10 FGCDHN Cc1cccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1[O-] ZINC000377232628 499672473 /nfs/dbraw/zinc/67/24/73/499672473.db2.gz PCNUEILMRGEDFY-KRWDZBQOSA-N 0 3 352.413 3.203 20 10 FGCDHN CN1CCN([C@@H]2CCCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000377619031 499711164 /nfs/dbraw/zinc/71/11/64/499711164.db2.gz CVMSKJDTTSLXNV-LJQANCHMSA-N 0 3 353.510 3.147 20 10 FGCDHN CN1CCN([C@@H]2CCCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000377619031 499711165 /nfs/dbraw/zinc/71/11/65/499711165.db2.gz CVMSKJDTTSLXNV-LJQANCHMSA-N 0 3 353.510 3.147 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621087 499711488 /nfs/dbraw/zinc/71/14/88/499711488.db2.gz GHXQSRBWTDSQNP-GOEBONIOSA-N 0 3 374.485 3.140 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621087 499711489 /nfs/dbraw/zinc/71/14/89/499711489.db2.gz GHXQSRBWTDSQNP-GOEBONIOSA-N 0 3 374.485 3.140 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377917951 499748059 /nfs/dbraw/zinc/74/80/59/499748059.db2.gz KXKPVBONZJSWRY-UHFFFAOYSA-N 0 3 369.509 3.325 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377917951 499748061 /nfs/dbraw/zinc/74/80/61/499748061.db2.gz KXKPVBONZJSWRY-UHFFFAOYSA-N 0 3 369.509 3.325 20 10 FGCDHN Cc1c2ccccc2n(C)c1CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000481572407 501818868 /nfs/dbraw/zinc/81/88/68/501818868.db2.gz QUSUFZPLMVZGLN-KRWDZBQOSA-N 0 3 355.869 3.326 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000471733894 502122592 /nfs/dbraw/zinc/12/25/92/502122592.db2.gz DCXJKWDSMRRGAF-CVEARBPZSA-N 0 3 356.514 3.406 20 10 FGCDHN CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000821196587 599408235 /nfs/dbraw/zinc/40/82/35/599408235.db2.gz BFDVWUXNEYBSSK-UHFFFAOYSA-N 0 3 366.469 3.011 20 10 FGCDHN CCN(CC)c1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821196587 599408238 /nfs/dbraw/zinc/40/82/38/599408238.db2.gz BFDVWUXNEYBSSK-UHFFFAOYSA-N 0 3 366.469 3.011 20 10 FGCDHN CCC[N@H+](C)C[C@@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458189 600718038 /nfs/dbraw/zinc/71/80/38/600718038.db2.gz KGYZKOLACRHFJV-HNNXBMFYSA-N 0 3 356.466 3.407 20 10 FGCDHN CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458189 600718039 /nfs/dbraw/zinc/71/80/39/600718039.db2.gz KGYZKOLACRHFJV-HNNXBMFYSA-N 0 3 356.466 3.407 20 10 FGCDHN CCCN(C)C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458189 600718040 /nfs/dbraw/zinc/71/80/40/600718040.db2.gz KGYZKOLACRHFJV-HNNXBMFYSA-N 0 3 356.466 3.407 20 10 FGCDHN CCCN(C)C[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458189 600718041 /nfs/dbraw/zinc/71/80/41/600718041.db2.gz KGYZKOLACRHFJV-HNNXBMFYSA-N 0 3 356.466 3.407 20 10 FGCDHN c1csc(SCCC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000826527055 608513694 /nfs/dbraw/zinc/51/36/94/608513694.db2.gz XLVHAKUVUGMLPJ-OAHLLOKOSA-N 0 3 372.523 3.473 20 10 FGCDHN c1csc(SCCC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC000826527055 608513695 /nfs/dbraw/zinc/51/36/95/608513695.db2.gz XLVHAKUVUGMLPJ-OAHLLOKOSA-N 0 3 372.523 3.473 20 10 FGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(Br)cc1 ZINC000111235879 700547121 /nfs/dbraw/zinc/54/71/21/700547121.db2.gz URAKBVRKFBRFKD-HNNXBMFYSA-N 0 3 366.255 3.026 20 10 FGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(Br)cc1 ZINC000111235879 700547124 /nfs/dbraw/zinc/54/71/24/700547124.db2.gz URAKBVRKFBRFKD-HNNXBMFYSA-N 0 3 366.255 3.026 20 10 FGCDHN C[C@@H](NCCOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000121040047 700664458 /nfs/dbraw/zinc/66/44/58/700664458.db2.gz BCRNXQPBFBGEDT-WBVHZDCISA-N 0 3 368.905 3.023 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](CCO)C2CCCCC2)c1[O-] ZINC000155129625 705064843 /nfs/dbraw/zinc/06/48/43/705064843.db2.gz VCJWQLZTFMMUPT-UHFFFAOYSA-N 0 3 358.276 3.290 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](CCO)C2CCCCC2)c1[O-] ZINC000155129625 705064847 /nfs/dbraw/zinc/06/48/47/705064847.db2.gz VCJWQLZTFMMUPT-UHFFFAOYSA-N 0 3 358.276 3.290 20 10 FGCDHN COc1ccc(O)c(CN2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179946431 705721736 /nfs/dbraw/zinc/72/17/36/705721736.db2.gz PYAYNZJRNSSANC-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN Cc1cc(Br)cc(CN2CCOC3(CCOCC3)CC2)c1O ZINC000375085655 713965929 /nfs/dbraw/zinc/96/59/29/713965929.db2.gz ZUPYKOUCXHQOPM-UHFFFAOYSA-N 0 3 370.287 3.235 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000380975860 713977389 /nfs/dbraw/zinc/97/73/89/713977389.db2.gz BDORCTHDTZSGCV-GDBMZVCRSA-N 0 3 350.459 3.069 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1O ZINC000779431956 724413167 /nfs/dbraw/zinc/41/31/67/724413167.db2.gz IKBJHPIMVWKZET-ZIAGYGMSSA-N 0 3 372.303 3.392 20 10 FGCDHN COC(=O)[C@H](C)C[N@H+](Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000780893850 724512596 /nfs/dbraw/zinc/51/25/96/724512596.db2.gz UEWAIJYDGOBHNK-LLVKDONJSA-N 0 3 356.260 3.237 20 10 FGCDHN COC(=O)[C@H](C)C[N@@H+](Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000780893850 724512599 /nfs/dbraw/zinc/51/25/99/724512599.db2.gz UEWAIJYDGOBHNK-LLVKDONJSA-N 0 3 356.260 3.237 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)c2ccncc2)c1[O-] ZINC000749295965 722723449 /nfs/dbraw/zinc/72/34/49/722723449.db2.gz LTJHTTOTHQPISR-LLVKDONJSA-N 0 3 351.244 3.452 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000793609569 723454474 /nfs/dbraw/zinc/45/44/74/723454474.db2.gz OWGSAHTUONABGZ-KBPBESRZSA-N 0 3 356.260 3.307 20 10 FGCDHN C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000765408193 723510746 /nfs/dbraw/zinc/51/07/46/723510746.db2.gz JKPLZXAUEAYQSG-MRXNPFEDSA-N 0 3 367.559 3.045 20 10 FGCDHN CCOc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c([O-])c1 ZINC000767427255 723618835 /nfs/dbraw/zinc/61/88/35/723618835.db2.gz XMSWMZSACMKKRT-MRXNPFEDSA-N 0 3 366.255 3.377 20 10 FGCDHN CCOc1ccc(CN[C@H](CO)c2ccc(Br)cc2)c(O)c1 ZINC000767427255 723618837 /nfs/dbraw/zinc/61/88/37/723618837.db2.gz XMSWMZSACMKKRT-MRXNPFEDSA-N 0 3 366.255 3.377 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000797139879 723785739 /nfs/dbraw/zinc/78/57/39/723785739.db2.gz JWXYSMZZZXXDOW-VWYCJHECSA-N 0 3 366.462 3.259 20 10 FGCDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000798963280 723980939 /nfs/dbraw/zinc/98/09/39/723980939.db2.gz BUXBCPFYYQWFQU-SFHVURJKSA-N 0 3 355.862 3.146 20 10 FGCDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000798963280 723980940 /nfs/dbraw/zinc/98/09/40/723980940.db2.gz BUXBCPFYYQWFQU-SFHVURJKSA-N 0 3 355.862 3.146 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+](CCO)Cc2ccccc2)c1[O-] ZINC000775638165 724013942 /nfs/dbraw/zinc/01/39/42/724013942.db2.gz BPFXJFBTQKOTHR-UHFFFAOYSA-N 0 3 350.256 3.458 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+](CCO)Cc2ccccc2)c1[O-] ZINC000775638165 724013945 /nfs/dbraw/zinc/01/39/45/724013945.db2.gz BPFXJFBTQKOTHR-UHFFFAOYSA-N 0 3 350.256 3.458 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)[C@H](O)CO2 ZINC000800865021 724239486 /nfs/dbraw/zinc/23/94/86/724239486.db2.gz WRABIVJPRPWDEG-ZBFHGGJFSA-N 0 3 357.372 3.373 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)[C@H](O)CO2 ZINC000800865021 724239488 /nfs/dbraw/zinc/23/94/88/724239488.db2.gz WRABIVJPRPWDEG-ZBFHGGJFSA-N 0 3 357.372 3.373 20 10 FGCDHN CCCN(CCC)c1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000784621207 724868546 /nfs/dbraw/zinc/86/85/46/724868546.db2.gz NPKWXQUJQAPAKI-IBGZPJMESA-N 0 3 352.544 3.370 20 10 FGCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788755902 725086034 /nfs/dbraw/zinc/08/60/34/725086034.db2.gz SYNFYPOBAUCDCI-KBPBESRZSA-N 0 3 359.436 3.088 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1[O-] ZINC000808681155 725213258 /nfs/dbraw/zinc/21/32/58/725213258.db2.gz VQCWUTUNBCINJD-ZDUSSCGKSA-N 0 3 353.871 3.479 20 10 FGCDHN COc1ccc(CNCc2ccc(OC)cc2Br)c(O)c1 ZINC000809658569 725256959 /nfs/dbraw/zinc/25/69/59/725256959.db2.gz RLEGNCMSAWRDPH-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN COc1ccc(O)c(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000814177818 726945210 /nfs/dbraw/zinc/94/52/10/726945210.db2.gz QAOASHOZSPHQPS-HNNXBMFYSA-N 0 3 370.218 3.126 20 10 FGCDHN C[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)ccc1[O-] ZINC000817939922 727289026 /nfs/dbraw/zinc/28/90/26/727289026.db2.gz IFPTVTFUENXRGR-CYBMUJFWSA-N 0 3 364.287 3.380 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1Cl ZINC000825303318 729377807 /nfs/dbraw/zinc/37/78/07/729377807.db2.gz HIKMFPOSDUYEQR-HXUWFJFHSA-N 0 3 360.885 3.081 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846205695 730936138 /nfs/dbraw/zinc/93/61/38/730936138.db2.gz KBQOYPJFHSAISW-NEPJUHHUSA-N 0 3 367.287 3.125 20 10 FGCDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848545949 731179202 /nfs/dbraw/zinc/17/92/02/731179202.db2.gz OAJIOGJEBVTLED-VZJVUDMVSA-N 0 3 374.275 3.008 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)c1[O-] ZINC000848548372 731179533 /nfs/dbraw/zinc/17/95/33/731179533.db2.gz WHNBPCJDLWZUOY-MJVIPROJSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)c2ccccn2)c1[O-] ZINC000850342939 731344516 /nfs/dbraw/zinc/34/45/16/731344516.db2.gz WGZWLXDSSGUUMZ-NSHDSACASA-N 0 3 351.244 3.452 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000865783002 733269357 /nfs/dbraw/zinc/26/93/57/733269357.db2.gz JXXZHSCDCHDSJF-CQSZACIVSA-N 0 3 363.479 3.088 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1[O-] ZINC000866463052 733353046 /nfs/dbraw/zinc/35/30/46/733353046.db2.gz HQRPHEZALHDWFC-DJOAAKCGSA-N 0 3 372.181 3.126 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)c2scnc2C(F)F)N(C)C)cc1 ZINC000891245548 739885877 /nfs/dbraw/zinc/88/58/77/739885877.db2.gz GILBJNWFDZLVQN-ZDUSSCGKSA-N 0 3 368.453 3.179 20 10 FGCDHN Cc1csc([C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891248884 739886451 /nfs/dbraw/zinc/88/64/51/739886451.db2.gz NXVKMRBDCVUNRR-YOEHRIQHSA-N 0 3 360.527 3.040 20 10 FGCDHN COC(=O)c1sccc1CNC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000895007064 742362813 /nfs/dbraw/zinc/36/28/13/742362813.db2.gz XFADXQVYLIFHDI-CQSZACIVSA-N 0 3 360.479 3.159 20 10 FGCDHN COc1cc(Br)cc(CNCc2c(O)cccc2OC)c1 ZINC000922673111 758973591 /nfs/dbraw/zinc/97/35/91/758973591.db2.gz MCFFQALIXXMJLG-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC3(C2)OCCO3)c1[O-] ZINC000927002717 759874341 /nfs/dbraw/zinc/87/43/41/759874341.db2.gz YFSWUQZALUOTLW-NSHDSACASA-N 0 3 356.260 3.267 20 10 FGCDHN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000089618956 494332070 /nfs/dbraw/zinc/33/20/70/494332070.db2.gz FHVHHHUECBMPDM-PBHICJAKSA-N 0 3 369.431 3.491 20 10 FGCDHN COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000179566105 495642209 /nfs/dbraw/zinc/64/22/09/495642209.db2.gz ZXTVVGXXLKBXIH-UHFFFAOYSA-N 0 3 368.477 3.068 20 10 FGCDHN COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000179566105 495642213 /nfs/dbraw/zinc/64/22/13/495642213.db2.gz ZXTVVGXXLKBXIH-UHFFFAOYSA-N 0 3 368.477 3.068 20 10 FGCDHN CC[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(N(C)C)cc1 ZINC000159166887 495673719 /nfs/dbraw/zinc/67/37/19/495673719.db2.gz JNDBWQLDUZNRSA-OAQYLSRUSA-N 0 3 367.541 3.140 20 10 FGCDHN NC(=O)CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000182996440 495791520 /nfs/dbraw/zinc/79/15/20/495791520.db2.gz IRCBAVAKRGIXTI-UHFFFAOYSA-N 0 3 354.450 3.059 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000186040842 495832243 /nfs/dbraw/zinc/83/22/43/495832243.db2.gz LWEXLPNUKHEBQH-MRXNPFEDSA-N 0 3 373.522 3.143 20 10 FGCDHN CCNC(=O)c1cccc(CNC2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000160180435 495902685 /nfs/dbraw/zinc/90/26/85/495902685.db2.gz GWCOVJFPYPWDIT-UHFFFAOYSA-N 0 3 367.493 3.204 20 10 FGCDHN COc1cc(O)c(CNC2(c3cccc(F)c3)CCOCC2)cc1OC ZINC000160520397 495982078 /nfs/dbraw/zinc/98/20/78/495982078.db2.gz QTPSQDFQNZOFOI-UHFFFAOYSA-N 0 3 361.413 3.344 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1OC ZINC000160520397 495982085 /nfs/dbraw/zinc/98/20/85/495982085.db2.gz QTPSQDFQNZOFOI-UHFFFAOYSA-N 0 3 361.413 3.344 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1[O-] ZINC000183458470 495992801 /nfs/dbraw/zinc/99/28/01/495992801.db2.gz ZKAINLIGPOIKAP-ULQDDVLXSA-N 0 3 368.477 3.492 20 10 FGCDHN COc1cccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000180804340 496153771 /nfs/dbraw/zinc/15/37/71/496153771.db2.gz YNTSTZBKAKLYAY-ZDUSSCGKSA-N 0 3 355.360 3.453 20 10 FGCDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161424141 496172800 /nfs/dbraw/zinc/17/28/00/496172800.db2.gz OALYALJWXMIWFH-LSDHHAIUSA-N 0 3 361.511 3.073 20 10 FGCDHN Cn1cccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000161695088 496223221 /nfs/dbraw/zinc/22/32/21/496223221.db2.gz GQZZCOLVJMCGGQ-UHFFFAOYSA-N 0 3 353.388 3.170 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(Cl)ccc1[O-] ZINC000184968408 496604031 /nfs/dbraw/zinc/60/40/31/496604031.db2.gz HUGQSPNYPYVHLZ-CQSZACIVSA-N 0 3 360.889 3.043 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Cl)ccc1[O-] ZINC000185041923 496634388 /nfs/dbraw/zinc/63/43/88/496634388.db2.gz DWCQVVQWWLIBPB-CQSZACIVSA-N 0 3 360.889 3.043 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c1 ZINC000185146989 496680978 /nfs/dbraw/zinc/68/09/78/496680978.db2.gz LTCCVLJJLULOSX-GOSISDBHSA-N 0 3 370.493 3.262 20 10 FGCDHN C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273449221 496808932 /nfs/dbraw/zinc/80/89/32/496808932.db2.gz FQLAIUGAPWJBMF-AWEZNQCLSA-N 0 3 356.426 3.263 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000273583516 496846107 /nfs/dbraw/zinc/84/61/07/496846107.db2.gz NEBCPBXCTHHTJS-CYBMUJFWSA-N 0 3 350.459 3.451 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)cc1OC ZINC000191780056 496887039 /nfs/dbraw/zinc/88/70/39/496887039.db2.gz LCHVJLSWYVSJFP-VFNWGFHPSA-N 0 3 359.466 3.129 20 10 FGCDHN CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(OC)ccc3[O-])C2)ncn1 ZINC000248528844 497031413 /nfs/dbraw/zinc/03/14/13/497031413.db2.gz WIUWQDGQJCSOLC-ZBFHGGJFSA-N 0 3 356.470 3.073 20 10 FGCDHN COc1ncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000271775388 497445383 /nfs/dbraw/zinc/44/53/83/497445383.db2.gz GSKBZTDTWYWIIM-AWEZNQCLSA-N 0 3 361.873 3.431 20 10 FGCDHN COc1cc(O)c(CN2CCC(Oc3cc(C)ccn3)CC2)cc1OC ZINC000272960140 497771350 /nfs/dbraw/zinc/77/13/50/497771350.db2.gz ZOFQJRHKDXJYLT-UHFFFAOYSA-N 0 3 358.438 3.156 20 10 FGCDHN C[C@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCc4cccc([O-])c43)c2)CCO1 ZINC000296033787 497898998 /nfs/dbraw/zinc/89/89/98/497898998.db2.gz QGEJLMMWMFGWRH-OXJNMPFZSA-N 0 3 352.478 3.390 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000296060684 497906719 /nfs/dbraw/zinc/90/67/19/497906719.db2.gz ROSUGOGLJOLMTL-KUHUBIRLSA-N 0 3 366.461 3.388 20 10 FGCDHN COc1cc(O)c(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000289401041 498133808 /nfs/dbraw/zinc/13/38/08/498133808.db2.gz GOZWZUVAWIOTRE-LBPRGKRZSA-N 0 3 356.422 3.145 20 10 FGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000289401041 498133816 /nfs/dbraw/zinc/13/38/16/498133816.db2.gz GOZWZUVAWIOTRE-LBPRGKRZSA-N 0 3 356.422 3.145 20 10 FGCDHN Cc1occc1C(=O)NC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293165667 498291355 /nfs/dbraw/zinc/29/13/55/498291355.db2.gz RRMCXNVFJZIGLH-UHFFFAOYSA-N 0 3 355.482 3.357 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(F)cc1[O-] ZINC000286237498 498334804 /nfs/dbraw/zinc/33/48/04/498334804.db2.gz TVPBFBOTKTYDOF-LJQANCHMSA-N 0 3 373.472 3.064 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282409208 498501058 /nfs/dbraw/zinc/50/10/58/498501058.db2.gz AUBHDQCBNXNUNU-QGZVFWFLSA-N 0 3 355.438 3.187 20 10 FGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000293979644 498551240 /nfs/dbraw/zinc/55/12/40/498551240.db2.gz BFVIBBONWFFMIT-SVFBPWRDSA-N 0 3 355.478 3.301 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(O)ccc3Cl)c2)CC1 ZINC000290648473 498631915 /nfs/dbraw/zinc/63/19/15/498631915.db2.gz FCICYXICWHSAHS-UHFFFAOYSA-N 0 3 359.857 3.440 20 10 FGCDHN CCCN(Cc1ccccc1O)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363231560 498716187 /nfs/dbraw/zinc/71/61/87/498716187.db2.gz XEXKQKSPQDDDKB-UHFFFAOYSA-N 0 3 370.497 3.127 20 10 FGCDHN COc1cc(O)c(CN(C)[C@H](CO)c2ccc(Cl)cc2)cc1OC ZINC000295137138 498922868 /nfs/dbraw/zinc/92/28/68/498922868.db2.gz YXLDCPXYBBMZDT-OAHLLOKOSA-N 0 3 351.830 3.228 20 10 FGCDHN Cc1n[nH]cc1CNC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000368782107 499332142 /nfs/dbraw/zinc/33/21/42/499332142.db2.gz QCSYIAXRGVTHPI-UHFFFAOYSA-N 0 3 354.376 3.375 20 10 FGCDHN COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1[O-] ZINC000372364231 499425159 /nfs/dbraw/zinc/42/51/59/499425159.db2.gz FQCSDIKALGKBAX-PHZGNYQRSA-N 0 3 362.470 3.421 20 10 FGCDHN COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1[O-] ZINC000372364231 499425161 /nfs/dbraw/zinc/42/51/61/499425161.db2.gz FQCSDIKALGKBAX-PHZGNYQRSA-N 0 3 362.470 3.421 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000373606695 499479468 /nfs/dbraw/zinc/47/94/68/499479468.db2.gz BOJBTFUBQLLXGT-CQSZACIVSA-N 0 3 355.438 3.208 20 10 FGCDHN Cc1ccc([C@@H](C)NCC(=O)N[C@H]2CCOc3ccccc32)c(O)c1C ZINC000376573723 499619745 /nfs/dbraw/zinc/61/97/45/499619745.db2.gz HUWPTLXXDAGSPM-QAPCUYQASA-N 0 3 354.450 3.300 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693045 499720843 /nfs/dbraw/zinc/72/08/43/499720843.db2.gz CGKFDJZKBVSVSJ-WMLDXEAASA-N 0 3 356.470 3.148 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693045 499720845 /nfs/dbraw/zinc/72/08/45/499720845.db2.gz CGKFDJZKBVSVSJ-WMLDXEAASA-N 0 3 356.470 3.148 20 10 FGCDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(OC)c(C)cc1O ZINC000825318380 608545976 /nfs/dbraw/zinc/54/59/76/608545976.db2.gz MTZPLRMNVQMVTA-UHFFFAOYSA-N 0 3 367.453 3.302 20 10 FGCDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(OC)c(C)cc1O ZINC000825318380 608545977 /nfs/dbraw/zinc/54/59/77/608545977.db2.gz MTZPLRMNVQMVTA-UHFFFAOYSA-N 0 3 367.453 3.302 20 10 FGCDHN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(OC)c(C)cc1O ZINC000825318380 608545978 /nfs/dbraw/zinc/54/59/78/608545978.db2.gz MTZPLRMNVQMVTA-UHFFFAOYSA-N 0 3 367.453 3.302 20 10 FGCDHN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(OC)c(C)cc1O ZINC000825318380 608545979 /nfs/dbraw/zinc/54/59/79/608545979.db2.gz MTZPLRMNVQMVTA-UHFFFAOYSA-N 0 3 367.453 3.302 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826268802 609145453 /nfs/dbraw/zinc/14/54/53/609145453.db2.gz OCYHAOPMPKIUBP-ZDUSSCGKSA-N 0 3 354.433 3.231 20 10 FGCDHN COc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000310808000 713800968 /nfs/dbraw/zinc/80/09/68/713800968.db2.gz ARPLBBXALSALMO-HNNXBMFYSA-N 0 3 350.459 3.280 20 10 FGCDHN COCCN(CC[NH2+][C@H](C)c1ccc(C)cc1[O-])C(=O)OC(C)(C)C ZINC000385496625 713983897 /nfs/dbraw/zinc/98/38/97/713983897.db2.gz UZTCAQSGXXTTOO-OAHLLOKOSA-N 0 3 352.475 3.235 20 10 FGCDHN COc1cccc([O-])c1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000779159639 724396820 /nfs/dbraw/zinc/39/68/20/724396820.db2.gz OKIIHMMBLIKROA-UHFFFAOYSA-N 0 3 355.360 3.453 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164849 724397384 /nfs/dbraw/zinc/39/73/84/724397384.db2.gz ZVTUAEIFJMNFJZ-UONOGXRCSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164849 724397388 /nfs/dbraw/zinc/39/73/88/724397388.db2.gz ZVTUAEIFJMNFJZ-UONOGXRCSA-N 0 3 350.459 3.136 20 10 FGCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000774394272 723888541 /nfs/dbraw/zinc/88/85/41/723888541.db2.gz OXNLDUMGTGNDBG-HNNXBMFYSA-N 0 3 361.511 3.031 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000782547277 724681611 /nfs/dbraw/zinc/68/16/11/724681611.db2.gz PAGBEOFMDFCQGV-KBPBESRZSA-N 0 3 350.459 3.326 20 10 FGCDHN CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000756443710 722964712 /nfs/dbraw/zinc/96/47/12/722964712.db2.gz ICXFTTHBEYLWEE-ZDUSSCGKSA-N 0 3 366.458 3.069 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756455150 722964961 /nfs/dbraw/zinc/96/49/61/722964961.db2.gz HSEGQGWMXDQTPG-BBRMVZONSA-N 0 3 363.454 3.284 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1[O-] ZINC000758560496 722991711 /nfs/dbraw/zinc/99/17/11/722991711.db2.gz LUBXSDYQUMCCCX-ZDUSSCGKSA-N 0 3 364.239 3.126 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000790965554 723200079 /nfs/dbraw/zinc/20/00/79/723200079.db2.gz PCFQTOHGVVVLCU-QGZVFWFLSA-N 0 3 361.873 3.203 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1[O-] ZINC000792193140 723320269 /nfs/dbraw/zinc/32/02/69/723320269.db2.gz RAUMCDLNCPLKEZ-LBPRGKRZSA-N 0 3 371.811 3.273 20 10 FGCDHN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000775202936 723970809 /nfs/dbraw/zinc/97/08/09/723970809.db2.gz ZRHUSWNTQJUBJP-GOSISDBHSA-N 0 3 355.862 3.465 20 10 FGCDHN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000775202936 723970811 /nfs/dbraw/zinc/97/08/11/723970811.db2.gz ZRHUSWNTQJUBJP-GOSISDBHSA-N 0 3 355.862 3.465 20 10 FGCDHN CCOc1ccc(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c(O)c1 ZINC000775322777 723982013 /nfs/dbraw/zinc/98/20/13/723982013.db2.gz AUHGRTLMADQZKK-OAHLLOKOSA-N 0 3 363.479 3.051 20 10 FGCDHN CCOc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c([O-])c1 ZINC000775322777 723982016 /nfs/dbraw/zinc/98/20/16/723982016.db2.gz AUHGRTLMADQZKK-OAHLLOKOSA-N 0 3 363.479 3.051 20 10 FGCDHN Cc1cccc(CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1O ZINC000775689838 724025491 /nfs/dbraw/zinc/02/54/91/724025491.db2.gz MWEBICDEQICBMZ-IBGZPJMESA-N 0 3 360.885 3.205 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c1[O-] ZINC000776498816 724151484 /nfs/dbraw/zinc/15/14/84/724151484.db2.gz PZAJJPRMFOVWRH-DFKRKDTASA-N 0 3 358.276 3.312 20 10 FGCDHN CS(=O)(=O)[C@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000800534539 724210163 /nfs/dbraw/zinc/21/01/63/724210163.db2.gz OKMJURCMVDOVDZ-IBGZPJMESA-N 0 3 359.491 3.458 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1[O-] ZINC000809718358 725262194 /nfs/dbraw/zinc/26/21/94/725262194.db2.gz IVKYJAPHHKRWPJ-QHCPKHFHSA-N 0 3 353.871 3.223 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000809722905 725262597 /nfs/dbraw/zinc/26/25/97/725262597.db2.gz MOPITEJKLXVFDL-INIZCTEOSA-N 0 3 350.256 3.156 20 10 FGCDHN Cc1cc(Cl)cc(CNCc2ccncc2OC[C@H]2CCOC2)c1O ZINC000809783422 725268274 /nfs/dbraw/zinc/26/82/74/725268274.db2.gz CDLBSNKEZOTIIT-AWEZNQCLSA-N 0 3 362.857 3.454 20 10 FGCDHN Cc1nnc(CCN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000810243169 725299228 /nfs/dbraw/zinc/29/92/28/725299228.db2.gz MGTNFHSQYDJEAS-GFCCVEGCSA-N 0 3 366.918 3.230 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC000814176955 726944948 /nfs/dbraw/zinc/94/49/48/726944948.db2.gz WEXLVDJXEQSAAU-CZUORRHYSA-N 0 3 350.434 3.363 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC000814176955 726944951 /nfs/dbraw/zinc/94/49/51/726944951.db2.gz WEXLVDJXEQSAAU-CZUORRHYSA-N 0 3 350.434 3.363 20 10 FGCDHN C[C@H]([NH2+]CCCNCc1cccnc1)c1cc(Br)ccc1[O-] ZINC000817939923 727288846 /nfs/dbraw/zinc/28/88/46/727288846.db2.gz IFPTVTFUENXRGR-ZDUSSCGKSA-N 0 3 364.287 3.380 20 10 FGCDHN COc1cc(NC(=O)C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc(OC)c1 ZINC000822490617 729181231 /nfs/dbraw/zinc/18/12/31/729181231.db2.gz ZNKGLHHGDOTBJM-UHFFFAOYSA-N 0 3 364.829 3.100 20 10 FGCDHN COc1cc(NC(=O)CNCc2cc(Cl)cc(C)c2O)cc(OC)c1 ZINC000822490617 729181234 /nfs/dbraw/zinc/18/12/34/729181234.db2.gz ZNKGLHHGDOTBJM-UHFFFAOYSA-N 0 3 364.829 3.100 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1[O-] ZINC000822526323 729190843 /nfs/dbraw/zinc/19/08/43/729190843.db2.gz SNLSNLQSIFNEOT-SFHVURJKSA-N 0 3 369.889 3.102 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000823923404 729313167 /nfs/dbraw/zinc/31/31/67/729313167.db2.gz QEWCRQZNLCKZMM-MRXNPFEDSA-N 0 3 364.536 3.051 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000824099199 729319513 /nfs/dbraw/zinc/31/95/13/729319513.db2.gz ROCGGPCAEZHPHT-MRXNPFEDSA-N 0 3 355.507 3.237 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@H](O)C(F)F ZINC000824635548 729352099 /nfs/dbraw/zinc/35/20/99/729352099.db2.gz HQMYJZABFZZXNO-AEFFLSMTSA-N 0 3 351.393 3.465 20 10 FGCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824894807 729364044 /nfs/dbraw/zinc/36/40/44/729364044.db2.gz KFZVBBREKIXFEH-AWEZNQCLSA-N 0 3 353.304 3.318 20 10 FGCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824894807 729364046 /nfs/dbraw/zinc/36/40/46/729364046.db2.gz KFZVBBREKIXFEH-AWEZNQCLSA-N 0 3 353.304 3.318 20 10 FGCDHN Cc1cc([C@@H](N)CC(=O)NCc2ccc(N(C)C)cc2C)cc(Cl)n1 ZINC000829764496 729509796 /nfs/dbraw/zinc/50/97/96/729509796.db2.gz NAYXVXXAMADSRO-KRWDZBQOSA-N 0 3 360.889 3.124 20 10 FGCDHN CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H](O)C(F)F ZINC000834875852 729840820 /nfs/dbraw/zinc/84/08/20/729840820.db2.gz UUHKJKRDWFGRCY-RLCCDNCMSA-N 0 3 362.848 3.232 20 10 FGCDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834880688 729841995 /nfs/dbraw/zinc/84/19/95/729841995.db2.gz NQURWOPEMMMJOP-YWPYICTPSA-N 0 3 358.276 3.165 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1[O-] ZINC000835060614 729854383 /nfs/dbraw/zinc/85/43/83/729854383.db2.gz SBLFWPRWUNCYCP-NSHDSACASA-N 0 3 358.276 3.458 20 10 FGCDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C)n1 ZINC000840725626 730166389 /nfs/dbraw/zinc/16/63/89/730166389.db2.gz BSSNYIQXFLZAJE-KBPBESRZSA-N 0 3 350.413 3.341 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1[O-] ZINC000840961137 730197932 /nfs/dbraw/zinc/19/79/32/730197932.db2.gz RBSQZYDJBUIGCD-HNNXBMFYSA-N 0 3 364.829 3.264 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(Cl)cc1[O-] ZINC000841745764 730270150 /nfs/dbraw/zinc/27/01/50/730270150.db2.gz SQWMUZSRQYRFNN-CQSZACIVSA-N 0 3 360.889 3.043 20 10 FGCDHN C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841748390 730270381 /nfs/dbraw/zinc/27/03/81/730270381.db2.gz XOUWVWGSURSLFU-AWEZNQCLSA-N 0 3 360.889 3.043 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000848525992 731175231 /nfs/dbraw/zinc/17/52/31/731175231.db2.gz SSQYXPYXPAFFHW-ZJUUUORDSA-N 0 3 373.291 3.117 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000848525992 731175232 /nfs/dbraw/zinc/17/52/32/731175232.db2.gz SSQYXPYXPAFFHW-ZJUUUORDSA-N 0 3 373.291 3.117 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)c1[O-] ZINC000848533653 731176832 /nfs/dbraw/zinc/17/68/32/731176832.db2.gz TUQUJTYKZNFQDP-GVXVVHGQSA-N 0 3 374.275 3.008 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000848533158 731176875 /nfs/dbraw/zinc/17/68/75/731176875.db2.gz OKKYYOAZYBEKNI-CABZTGNLSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CCCC2)c1[O-] ZINC000848545230 731179136 /nfs/dbraw/zinc/17/91/36/731179136.db2.gz CBSXOJWZXASXGE-LLVKDONJSA-N 0 3 358.276 3.367 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1[O-] ZINC000848554177 731181122 /nfs/dbraw/zinc/18/11/22/731181122.db2.gz QSUDFQUFJMGFOJ-QWRGUYRKSA-N 0 3 368.275 3.179 20 10 FGCDHN O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[O-] ZINC000853093962 731664153 /nfs/dbraw/zinc/66/41/53/731664153.db2.gz VHAWSDJWJXUGPV-ZDUSSCGKSA-N 0 3 353.850 3.165 20 10 FGCDHN O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[O-] ZINC000853093962 731664156 /nfs/dbraw/zinc/66/41/56/731664156.db2.gz VHAWSDJWJXUGPV-ZDUSSCGKSA-N 0 3 353.850 3.165 20 10 FGCDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c1[O-] ZINC000853093962 731664158 /nfs/dbraw/zinc/66/41/58/731664158.db2.gz VHAWSDJWJXUGPV-ZDUSSCGKSA-N 0 3 353.850 3.165 20 10 FGCDHN C[C@@H]1[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)CCS1(=O)=O ZINC000858280795 732200088 /nfs/dbraw/zinc/20/00/88/732200088.db2.gz DOKKPFNFLKHQAD-RDTXWAMCSA-N 0 3 364.536 3.050 20 10 FGCDHN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000858470638 732218158 /nfs/dbraw/zinc/21/81/58/732218158.db2.gz KBRUTMDSJNOYCG-JOYOIKCWSA-N 0 3 370.243 3.076 20 10 FGCDHN COC(=O)C1=CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858472963 732218317 /nfs/dbraw/zinc/21/83/17/732218317.db2.gz MCLGVFBYBCXCPD-ZFWWWQNUSA-N 0 3 364.873 3.089 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602525 732230628 /nfs/dbraw/zinc/23/06/28/732230628.db2.gz AWBMREGVISKLCS-IAQYHMDHSA-N 0 3 367.287 3.267 20 10 FGCDHN CCN(CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000862469117 732839203 /nfs/dbraw/zinc/83/92/03/732839203.db2.gz ZBEKHMOUIVQBLM-UHFFFAOYSA-N 0 3 358.866 3.401 20 10 FGCDHN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000862469117 732839209 /nfs/dbraw/zinc/83/92/09/732839209.db2.gz ZBEKHMOUIVQBLM-UHFFFAOYSA-N 0 3 358.866 3.401 20 10 FGCDHN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000862469117 732839214 /nfs/dbraw/zinc/83/92/14/732839214.db2.gz ZBEKHMOUIVQBLM-UHFFFAOYSA-N 0 3 358.866 3.401 20 10 FGCDHN Cc1cccc(O)c1CNCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000877506875 736674160 /nfs/dbraw/zinc/67/41/60/736674160.db2.gz GMGBMOMSIGYULS-UHFFFAOYSA-N 0 3 373.396 3.413 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1[O-] ZINC000895535934 742424113 /nfs/dbraw/zinc/42/41/13/742424113.db2.gz FLQJAEYYQPBDGO-HNNXBMFYSA-N 0 3 355.862 3.120 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1[O-] ZINC000779038099 724383674 /nfs/dbraw/zinc/38/36/74/724383674.db2.gz IPCXABCUMWQKFI-SCZZXKLOSA-N 0 3 356.182 3.427 20 10 FGCDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089513460 494318727 /nfs/dbraw/zinc/31/87/27/494318727.db2.gz UJEKYOPHLKQHHI-AWEZNQCLSA-N 0 3 359.401 3.421 20 10 FGCDHN COc1cccc(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1O ZINC000092534701 494660939 /nfs/dbraw/zinc/66/09/39/494660939.db2.gz QJUXMWFXTCTLAL-UHFFFAOYSA-N 0 3 368.477 3.068 20 10 FGCDHN O[C@@H](C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958271 494735091 /nfs/dbraw/zinc/73/50/91/494735091.db2.gz UPJGRWATDWYCHT-PMACEKPBSA-N 0 3 356.466 3.204 20 10 FGCDHN C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000128758078 495145746 /nfs/dbraw/zinc/14/57/46/495145746.db2.gz WYNNSPXJQHNFHR-KRWDZBQOSA-N 0 3 367.493 3.392 20 10 FGCDHN CC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCN3C)c2ccc(F)cc2C1 ZINC000185365687 495549134 /nfs/dbraw/zinc/54/91/34/495549134.db2.gz IXEGCPAAINVTNS-OAQYLSRUSA-N 0 3 367.468 3.401 20 10 FGCDHN Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3[O-])CC2)cc1F ZINC000179557306 495640899 /nfs/dbraw/zinc/64/08/99/495640899.db2.gz GUUQOHYLWAIGJA-UHFFFAOYSA-N 0 3 356.441 3.368 20 10 FGCDHN C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccc(F)cc1[O-] ZINC000185651508 495662993 /nfs/dbraw/zinc/66/29/93/495662993.db2.gz UPVADUDHUNZEQW-HNNXBMFYSA-N 0 3 358.457 3.339 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000185874438 495759278 /nfs/dbraw/zinc/75/92/78/495759278.db2.gz YWFVLQAMIJWJCE-KSSFIOAISA-N 0 3 374.481 3.372 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2N2CCOCC2)cc1 ZINC000151234624 495780634 /nfs/dbraw/zinc/78/06/34/495780634.db2.gz FIJCMYUKBCSUMH-QGZVFWFLSA-N 0 3 354.498 3.225 20 10 FGCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1 ZINC000151571702 495882304 /nfs/dbraw/zinc/88/23/04/495882304.db2.gz HQXIBCNDLNITMZ-HNNXBMFYSA-N 0 3 354.498 3.153 20 10 FGCDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(N3CCCCC3)c(F)c1)CC2 ZINC000160333897 495939122 /nfs/dbraw/zinc/93/91/22/495939122.db2.gz JVPNXNGBVBXPDF-YOEHRIQHSA-N 0 3 357.477 3.382 20 10 FGCDHN COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183474052 495999422 /nfs/dbraw/zinc/99/94/22/495999422.db2.gz URHQXEGTQGDQCR-MRXNPFEDSA-N 0 3 368.477 3.285 20 10 FGCDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181024545 496245356 /nfs/dbraw/zinc/24/53/56/496245356.db2.gz VRXRJHMJVHPQOF-ZRDIBKRKSA-N 0 3 354.450 3.221 20 10 FGCDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3cncs3)CC2)cc1 ZINC000162803210 496414369 /nfs/dbraw/zinc/41/43/69/496414369.db2.gz SZYRKBIQVAHPTO-INIZCTEOSA-N 0 3 360.527 3.015 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000187371105 496414771 /nfs/dbraw/zinc/41/47/71/496414771.db2.gz ROAROXWGGVPZFE-MFKMUULPSA-N 0 3 350.260 3.394 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000153349660 496427431 /nfs/dbraw/zinc/42/74/31/496427431.db2.gz RHYQJEHCFOSTFR-UHFFFAOYSA-N 0 3 372.440 3.324 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000184684742 496492152 /nfs/dbraw/zinc/49/21/52/496492152.db2.gz OEVGLPFXUTYGJI-INIZCTEOSA-N 0 3 355.862 3.214 20 10 FGCDHN CC[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000185273573 496722192 /nfs/dbraw/zinc/72/21/92/496722192.db2.gz CUBLRXCQXVIZIK-FQEVSTJZSA-N 0 3 372.488 3.364 20 10 FGCDHN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])cc1 ZINC000273391226 496792319 /nfs/dbraw/zinc/79/23/19/496792319.db2.gz KUZHPDCVWPWAOV-HUUCEWRRSA-N 0 3 362.495 3.329 20 10 FGCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273585204 496847013 /nfs/dbraw/zinc/84/70/13/496847013.db2.gz NQATVXZZVYJDHG-STQMWFEESA-N 0 3 366.458 3.193 20 10 FGCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273604837 496852020 /nfs/dbraw/zinc/85/20/20/496852020.db2.gz SYXBGKOUWWGRCJ-OAHLLOKOSA-N 0 3 371.456 3.051 20 10 FGCDHN Cc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)c(C)n1-c1ccccn1 ZINC000264559610 496929436 /nfs/dbraw/zinc/92/94/36/496929436.db2.gz FJTGEMWKOGKDML-SFHVURJKSA-N 0 3 352.482 3.190 20 10 FGCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000274418368 497092876 /nfs/dbraw/zinc/09/28/76/497092876.db2.gz GLUNJBSTSYTNLV-SFHVURJKSA-N 0 3 353.510 3.175 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000271766491 497442753 /nfs/dbraw/zinc/44/27/53/497442753.db2.gz ALTIHJPOAPXVPN-UHFFFAOYSA-N 0 3 365.470 3.400 20 10 FGCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000190435877 497478815 /nfs/dbraw/zinc/47/88/15/497478815.db2.gz JPHMCXPZKNUIEC-YOEHRIQHSA-N 0 3 365.861 3.281 20 10 FGCDHN Cc1ccccc1-n1nccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000279821246 497553171 /nfs/dbraw/zinc/55/31/71/497553171.db2.gz GHAQIGAMHQMICG-UHFFFAOYSA-N 0 3 362.477 3.307 20 10 FGCDHN COc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C ZINC000194256219 497615779 /nfs/dbraw/zinc/61/57/79/497615779.db2.gz VHQNWOQHTGGRQJ-UHFFFAOYSA-N 0 3 358.457 3.394 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(C)cc1[O-] ZINC000280022179 497622965 /nfs/dbraw/zinc/62/29/65/497622965.db2.gz HMJRJFDHDGZHGH-LJQANCHMSA-N 0 3 354.498 3.088 20 10 FGCDHN C[C@H](N[C@H]1C[C@@H](CO)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000364938631 498219079 /nfs/dbraw/zinc/21/90/79/498219079.db2.gz JRUAFCFIPPGLLJ-ZJBJCVSYSA-N 0 3 352.478 3.395 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1c3ccccc3CC13CCOCC3)OCO2 ZINC000289807884 498301296 /nfs/dbraw/zinc/30/12/96/498301296.db2.gz MTHHRYOQJGITDA-HXUWFJFHSA-N 0 3 353.418 3.305 20 10 FGCDHN COc1cccc(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1O ZINC000293210804 498308467 /nfs/dbraw/zinc/30/84/67/498308467.db2.gz YGMVNTBDFIQWQX-KSSFIOAISA-N 0 3 372.440 3.382 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)c1ccc(F)cc1[O-] ZINC000286281778 498349796 /nfs/dbraw/zinc/34/97/96/498349796.db2.gz VTLDOWYBATXSHC-LJQANCHMSA-N 0 3 373.472 3.064 20 10 FGCDHN C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000282441008 498513720 /nfs/dbraw/zinc/51/37/20/498513720.db2.gz NATUOEHDPPJIKY-KSSFIOAISA-N 0 3 358.461 3.124 20 10 FGCDHN C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000282441000 498513814 /nfs/dbraw/zinc/51/38/14/498513814.db2.gz NATUOEHDPPJIKY-KDOFPFPSSA-N 0 3 358.461 3.124 20 10 FGCDHN Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c([O-])c1O ZINC000288284325 498984409 /nfs/dbraw/zinc/98/44/09/498984409.db2.gz HKOANULWWIJIDE-JOCHJYFZSA-N 0 3 366.461 3.144 20 10 FGCDHN Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([O-])c1O ZINC000288284325 498984413 /nfs/dbraw/zinc/98/44/13/498984413.db2.gz HKOANULWWIJIDE-JOCHJYFZSA-N 0 3 366.461 3.144 20 10 FGCDHN C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000366699450 499037776 /nfs/dbraw/zinc/03/77/76/499037776.db2.gz VPSXCPQCXCESSQ-HXOBKFHXSA-N 0 3 365.521 3.485 20 10 FGCDHN CN1CCN(CC2(C)CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CC1 ZINC000363891999 499042517 /nfs/dbraw/zinc/04/25/17/499042517.db2.gz VQSBNWQJLFNUSK-UHFFFAOYSA-N 0 3 367.537 3.395 20 10 FGCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000372854518 499184445 /nfs/dbraw/zinc/18/44/45/499184445.db2.gz DSDLZPMJRHAVQB-LAUBAEHRSA-N 0 3 353.510 3.003 20 10 FGCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000372854518 499184448 /nfs/dbraw/zinc/18/44/48/499184448.db2.gz DSDLZPMJRHAVQB-LAUBAEHRSA-N 0 3 353.510 3.003 20 10 FGCDHN CCN1CCC[C@@H](C[N@H+](C)Cc2cc(OC)ccc2[O-])[C@@H]1c1cnn(C)c1 ZINC000370304968 499207595 /nfs/dbraw/zinc/20/75/95/499207595.db2.gz DQBILBUFVKTNQW-HRAATJIYSA-N 0 3 372.513 3.039 20 10 FGCDHN CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(OC)ccc2[O-])[C@@H]1c1cnn(C)c1 ZINC000370304968 499207596 /nfs/dbraw/zinc/20/75/96/499207596.db2.gz DQBILBUFVKTNQW-HRAATJIYSA-N 0 3 372.513 3.039 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000367547718 499211039 /nfs/dbraw/zinc/21/10/39/499211039.db2.gz ZWIJQDJUDFAHQG-HNAYVOBHSA-N 0 3 360.479 3.304 20 10 FGCDHN CCC[C@@]1(CO)CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000368136429 499268291 /nfs/dbraw/zinc/26/82/91/499268291.db2.gz VCFOKRQQYNSOPN-MRXNPFEDSA-N 0 3 358.276 3.148 20 10 FGCDHN Cc1cccc(CN2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC000368041369 499258696 /nfs/dbraw/zinc/25/86/96/499258696.db2.gz KSNBXODFYKDHMU-SOFGYWHQSA-N 0 3 366.461 3.200 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000368042158 499258923 /nfs/dbraw/zinc/25/89/23/499258923.db2.gz MMWHXOONYCXNCT-UHFFFAOYSA-N 0 3 373.526 3.235 20 10 FGCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1cc(F)ccc1[O-] ZINC000368333830 499286195 /nfs/dbraw/zinc/28/61/95/499286195.db2.gz SBHOBPUGRQDEBR-CYBMUJFWSA-N 0 3 358.413 3.192 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000368832669 499337396 /nfs/dbraw/zinc/33/73/96/499337396.db2.gz GDRNTOJLHULRFG-UHFFFAOYSA-N 0 3 351.834 3.299 20 10 FGCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000371677220 499354064 /nfs/dbraw/zinc/35/40/64/499354064.db2.gz RTSJNHYQFIRDHU-KRWDZBQOSA-N 0 3 352.413 3.203 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000375305754 499505117 /nfs/dbraw/zinc/50/51/17/499505117.db2.gz JBRQSMQIXHWERI-CVEARBPZSA-N 0 3 360.498 3.432 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000376320982 499600261 /nfs/dbraw/zinc/60/02/61/499600261.db2.gz KSJSPIXFUBMVRS-CRAIPNDOSA-N 0 3 353.466 3.201 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000471733900 502122637 /nfs/dbraw/zinc/12/26/37/502122637.db2.gz DCXJKWDSMRRGAF-JKSUJKDBSA-N 0 3 356.514 3.406 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CCN(C4CC4)C3)ccc21 ZINC000518428231 503981995 /nfs/dbraw/zinc/98/19/95/503981995.db2.gz OPOOTOXPRRVOAV-IBGZPJMESA-N 0 3 369.509 3.213 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](N(C)C)C3)ccc21 ZINC000520716984 504563784 /nfs/dbraw/zinc/56/37/84/504563784.db2.gz NANWTPAYBYISGT-GOSISDBHSA-N 0 3 357.498 3.071 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2nc3ccccc3s2)c1 ZINC000182380218 705838265 /nfs/dbraw/zinc/83/82/65/705838265.db2.gz BHVUSCYPQICVPV-NSHDSACASA-N 0 3 357.435 3.300 20 10 FGCDHN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000184854019 712677438 /nfs/dbraw/zinc/67/74/38/712677438.db2.gz GTSCJGKWGMAHLU-BBRMVZONSA-N 0 3 350.459 3.317 20 10 FGCDHN CCOc1cccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1O ZINC000749926933 722748053 /nfs/dbraw/zinc/74/80/53/722748053.db2.gz QXSOXTDAGSFDLG-MRXNPFEDSA-N 0 3 360.841 3.339 20 10 FGCDHN O=C(c1cccc2c1CCNC2)N1CCc2ccc(Br)cc21 ZINC000662603216 720445698 /nfs/dbraw/zinc/44/56/98/720445698.db2.gz ULKFYKJLIWCJHD-UHFFFAOYSA-N 0 3 357.251 3.298 20 10 FGCDHN CN(C)c1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000734843230 722510488 /nfs/dbraw/zinc/51/04/88/722510488.db2.gz HJPWESFWZRKEPQ-MSOLQXFVSA-N 0 3 352.400 3.377 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756633005 722967971 /nfs/dbraw/zinc/96/79/71/722967971.db2.gz GMLLHKABJHUHQF-BLLLJJGKSA-N 0 3 363.454 3.414 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000758497333 722990670 /nfs/dbraw/zinc/99/06/70/722990670.db2.gz ZUBWPXFQUYRUOS-QGZVFWFLSA-N 0 3 358.507 3.108 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000762481049 723247041 /nfs/dbraw/zinc/24/70/41/723247041.db2.gz OFZYOEKGDDMIFI-UKRRQHHQSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000763453403 723344002 /nfs/dbraw/zinc/34/40/02/723344002.db2.gz RXTAZQSORFACIU-QFBILLFUSA-N 0 3 365.832 3.449 20 10 FGCDHN CN(C)c1ccc(CN2CCC[C@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000792812875 723370532 /nfs/dbraw/zinc/37/05/32/723370532.db2.gz VWJSKVVKPJBRPM-AWEZNQCLSA-N 0 3 358.404 3.356 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000793605072 723454000 /nfs/dbraw/zinc/45/40/00/723454000.db2.gz NGFKSWPSIVTCEV-LJQANCHMSA-N 0 3 350.434 3.364 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000793605072 723454002 /nfs/dbraw/zinc/45/40/02/723454002.db2.gz NGFKSWPSIVTCEV-LJQANCHMSA-N 0 3 350.434 3.364 20 10 FGCDHN C[C@H](NCCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765362208 723508314 /nfs/dbraw/zinc/50/83/14/723508314.db2.gz FVCTYCCZOQEPLJ-LBPRGKRZSA-N 0 3 366.811 3.406 20 10 FGCDHN CCOc1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768350292 723655017 /nfs/dbraw/zinc/65/50/17/723655017.db2.gz CUFYAMNOCQYBLG-HNNXBMFYSA-N 0 3 350.459 3.280 20 10 FGCDHN CN1CCN(c2ccc(CN[C@H]3COc4c3cccc4Cl)cc2)CC1 ZINC000771841011 723743387 /nfs/dbraw/zinc/74/33/87/723743387.db2.gz CITBSMBNHPVBGS-IBGZPJMESA-N 0 3 357.885 3.315 20 10 FGCDHN CS(=O)(=O)[C@@H]1CCCCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775192611 723969989 /nfs/dbraw/zinc/96/99/89/723969989.db2.gz NLLOAUYPPKGMFZ-LJQANCHMSA-N 0 3 359.491 3.458 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@](C)(CO)c2ccccc2)c1[O-] ZINC000776175312 724116063 /nfs/dbraw/zinc/11/60/63/724116063.db2.gz KVGOCWNAXYYJGF-KRWDZBQOSA-N 0 3 350.256 3.460 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@](C)(CO)c2ccccc2)c1[O-] ZINC000776175313 724116269 /nfs/dbraw/zinc/11/62/69/724116269.db2.gz KVGOCWNAXYYJGF-QGZVFWFLSA-N 0 3 350.256 3.460 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1[O-] ZINC000800544001 724210910 /nfs/dbraw/zinc/21/09/10/724210910.db2.gz RUSWTINLYVLQGH-UHFFFAOYSA-N 0 3 367.898 3.101 20 10 FGCDHN Cc1cc(Cl)cc(CNCCS(=O)(=O)CCc2ccccc2)c1O ZINC000800544001 724210915 /nfs/dbraw/zinc/21/09/15/724210915.db2.gz RUSWTINLYVLQGH-UHFFFAOYSA-N 0 3 367.898 3.101 20 10 FGCDHN CC(=O)NCCN(Cc1ccc(C)s1)Cc1cc2c(cc1O)CCC2 ZINC000800851512 724237795 /nfs/dbraw/zinc/23/77/95/724237795.db2.gz DFSMOHITFIIYFK-UHFFFAOYSA-N 0 3 358.507 3.389 20 10 FGCDHN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808704460 725214415 /nfs/dbraw/zinc/21/44/15/725214415.db2.gz RKVKPBWPCVFTDS-CYBMUJFWSA-N 0 3 362.857 3.443 20 10 FGCDHN CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213095 725297100 /nfs/dbraw/zinc/29/71/00/725297100.db2.gz LPKANLQDBAYVIM-INIZCTEOSA-N 0 3 360.420 3.299 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216931 725297366 /nfs/dbraw/zinc/29/73/66/725297366.db2.gz STPVGMCCNYEDKE-CJNGLKHVSA-N 0 3 359.436 3.088 20 10 FGCDHN CCn1cc([C@H](C)NCc2cc(Br)cc(OC)c2O)cn1 ZINC000825130167 729372110 /nfs/dbraw/zinc/37/21/10/729372110.db2.gz OKUIMQNUGDMIPR-JTQLQIEISA-N 0 3 354.248 3.231 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263965 729376151 /nfs/dbraw/zinc/37/61/51/729376151.db2.gz XIGKAGLIQUIAAF-KGLIPLIRSA-N 0 3 350.459 3.184 20 10 FGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)c1ccccc1Br ZINC000825305679 729378120 /nfs/dbraw/zinc/37/81/20/729378120.db2.gz PSQYFVLFGHQBLY-INIZCTEOSA-N 0 3 354.219 3.459 20 10 FGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)c1ccccc1Br ZINC000825305679 729378122 /nfs/dbraw/zinc/37/81/22/729378122.db2.gz PSQYFVLFGHQBLY-INIZCTEOSA-N 0 3 354.219 3.459 20 10 FGCDHN CN1CCN([C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)c2cccs2)CC1 ZINC000834487771 729807447 /nfs/dbraw/zinc/80/74/47/729807447.db2.gz LQPDVYAKTZBTQO-IAGOWNOFSA-N 0 3 357.523 3.019 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCc2ccc(C)cn2)c1[O-] ZINC000835065709 729854999 /nfs/dbraw/zinc/85/49/99/729854999.db2.gz QBCGTWUFRSJFQZ-UHFFFAOYSA-N 0 3 351.244 3.199 20 10 FGCDHN CCS(=O)(=O)CCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890705 730188763 /nfs/dbraw/zinc/18/87/63/730188763.db2.gz OHNFVFQLDAUHDN-OAHLLOKOSA-N 0 3 356.507 3.291 20 10 FGCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cccc(C)c2O)c1 ZINC000840956219 730196818 /nfs/dbraw/zinc/19/68/18/730196818.db2.gz LGIGIJCSBBYCKF-UHFFFAOYSA-N 0 3 353.871 3.437 20 10 FGCDHN COc1cc(CNCc2cc(C)ccc2O)c(Br)cc1O ZINC000842778300 730542500 /nfs/dbraw/zinc/54/25/00/730542500.db2.gz OORVYZVNWHBKJC-UHFFFAOYSA-N 0 3 352.228 3.467 20 10 FGCDHN CC(C)(C)OC(=O)CC[N@H+](Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000843413023 730617121 /nfs/dbraw/zinc/61/71/21/730617121.db2.gz DGEOAHCDRNWGMU-UHFFFAOYSA-N 0 3 353.434 3.244 20 10 FGCDHN CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000843413023 730617123 /nfs/dbraw/zinc/61/71/23/730617123.db2.gz DGEOAHCDRNWGMU-UHFFFAOYSA-N 0 3 353.434 3.244 20 10 FGCDHN CCn1cc(CN[C@@H](C)c2cc(Br)cc(OC)c2O)cn1 ZINC000848532741 731176356 /nfs/dbraw/zinc/17/63/56/731176356.db2.gz DPJFHCXOVACZQV-JTQLQIEISA-N 0 3 354.248 3.231 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)c1[O-] ZINC000848534992 731177325 /nfs/dbraw/zinc/17/73/25/731177325.db2.gz CLHYFNGJGFEOMP-GXSJLCMTSA-N 0 3 368.275 3.477 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)NC[C@@H](OC)C(F)(F)F)c1O ZINC000848540882 731178423 /nfs/dbraw/zinc/17/84/23/731178423.db2.gz JDCCQBQJHXVQFE-RDDDGLTNSA-N 0 3 372.181 3.391 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)c1[O-] ZINC000848540882 731178430 /nfs/dbraw/zinc/17/84/30/731178430.db2.gz JDCCQBQJHXVQFE-RDDDGLTNSA-N 0 3 372.181 3.391 20 10 FGCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])[C@H](O)C(F)F ZINC000848552221 731180634 /nfs/dbraw/zinc/18/06/34/731180634.db2.gz AFYZUCYUIRUIRG-TXMMPKFLSA-N 0 3 368.218 3.219 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)c2c1c(F)ccc2[O-] ZINC000850530791 731369821 /nfs/dbraw/zinc/36/98/21/731369821.db2.gz CNYZTEUBEHCTNA-OCCSQVGLSA-N 0 3 355.475 3.417 20 10 FGCDHN CCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000850553837 731372380 /nfs/dbraw/zinc/37/23/80/731372380.db2.gz DNOZLDQZYXQIPU-DGCLKSJQSA-N 0 3 357.292 3.298 20 10 FGCDHN COC(=O)C1=CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858472960 732218392 /nfs/dbraw/zinc/21/83/92/732218392.db2.gz MCLGVFBYBCXCPD-DZGCQCFKSA-N 0 3 364.873 3.089 20 10 FGCDHN COC(=O)C1=CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858472961 732218480 /nfs/dbraw/zinc/21/84/80/732218480.db2.gz MCLGVFBYBCXCPD-HIFRSBDPSA-N 0 3 364.873 3.089 20 10 FGCDHN Cc1cc(Br)cc(CN[C@](C)(CO)c2cccc(O)c2)c1O ZINC000862432842 732834562 /nfs/dbraw/zinc/83/45/62/732834562.db2.gz PDKVXUSJAMVPTL-QGZVFWFLSA-N 0 3 366.255 3.166 20 10 FGCDHN COc1ccc(CNC[C@@H](OC2CCCC2)C(F)(F)F)c(O)c1OC ZINC000895333261 742398747 /nfs/dbraw/zinc/39/87/47/742398747.db2.gz CAMMYJLZFCHNFP-CQSZACIVSA-N 0 3 363.376 3.389 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(Cc3noc(C)n3)CC2)c1O ZINC000896551744 742564581 /nfs/dbraw/zinc/56/45/81/742564581.db2.gz RIIHKSDFJSGTQQ-UHFFFAOYSA-N 0 3 351.834 3.200 20 10 FGCDHN COc1cc(Cl)cc(C[NH+]2CCC(Cc3noc(C)n3)CC2)c1[O-] ZINC000896551744 742564583 /nfs/dbraw/zinc/56/45/83/742564583.db2.gz RIIHKSDFJSGTQQ-UHFFFAOYSA-N 0 3 351.834 3.200 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000922892795 759023617 /nfs/dbraw/zinc/02/36/17/759023617.db2.gz CISOKHGIVGMWJA-HNNXBMFYSA-N 0 3 368.275 3.384 20 10 FGCDHN COc1cc(Br)cc(CNCc2cc(C3CC3)nn2C)c1O ZINC000922947853 759035424 /nfs/dbraw/zinc/03/54/24/759035424.db2.gz KVVRIPHZQPKACM-UHFFFAOYSA-N 0 3 366.259 3.064 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOC2CCOCC2)c1[O-] ZINC000927075981 759886205 /nfs/dbraw/zinc/88/62/05/759886205.db2.gz ANCUMZGFIGMIAV-LLVKDONJSA-N 0 3 374.275 3.010 20 10 FGCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779040843 724383687 /nfs/dbraw/zinc/38/36/87/724383687.db2.gz MAIBTZQGIFLHPO-SUHUHFCYSA-N 0 3 355.276 3.028 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000779039594 724383742 /nfs/dbraw/zinc/38/37/42/724383742.db2.gz DFHQKSPNBCTSQV-PRHODGIISA-N 0 3 356.182 3.427 20 10 FGCDHN Cc1cnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1C ZINC000091675470 494642434 /nfs/dbraw/zinc/64/24/34/494642434.db2.gz CXNIMKFIALZNOR-UHFFFAOYSA-N 0 3 351.498 3.238 20 10 FGCDHN O=[N+]([O-])c1cccnc1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000091675306 494642591 /nfs/dbraw/zinc/64/25/91/494642591.db2.gz ZNXMAHNHNZGBRA-UHFFFAOYSA-N 0 3 367.453 3.134 20 10 FGCDHN COc1ccccc1NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093817231 494924311 /nfs/dbraw/zinc/92/43/11/494924311.db2.gz VFDXAVIQHNXWKF-UHFFFAOYSA-N 0 3 356.422 3.206 20 10 FGCDHN CC[C@@H](NCc1ccc(OCCO)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000127696086 494982914 /nfs/dbraw/zinc/98/29/14/494982914.db2.gz CUUHFPYWGCYQGS-LJQANCHMSA-N 0 3 358.482 3.373 20 10 FGCDHN CN(C)c1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124105200 495234341 /nfs/dbraw/zinc/23/43/41/495234341.db2.gz TYVCRDAIBGDCQZ-SFHVURJKSA-N 0 3 353.514 3.450 20 10 FGCDHN CN(C)Cc1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000125399058 495438650 /nfs/dbraw/zinc/43/86/50/495438650.db2.gz MEOVLZJAKZBFDD-UHFFFAOYSA-N 0 3 364.493 3.124 20 10 FGCDHN C[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130884118 495461100 /nfs/dbraw/zinc/46/11/00/495461100.db2.gz RULRVAXMBWYJFE-CQSZACIVSA-N 0 3 372.444 3.004 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000158606903 495549416 /nfs/dbraw/zinc/54/94/16/495549416.db2.gz ADEYETBORYTHHA-HUUCEWRRSA-N 0 3 363.479 3.222 20 10 FGCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176414705 495642854 /nfs/dbraw/zinc/64/28/54/495642854.db2.gz USFORVFSMACVJN-UXHICEINSA-N 0 3 356.514 3.055 20 10 FGCDHN CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000179766552 495726985 /nfs/dbraw/zinc/72/69/85/495726985.db2.gz YHKPKINQLYVMDJ-UHFFFAOYSA-N 0 3 353.466 3.309 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000185874475 495759267 /nfs/dbraw/zinc/75/92/67/495759267.db2.gz YWFVLQAMIJWJCE-KBXCAEBGSA-N 0 3 374.481 3.372 20 10 FGCDHN COc1ccc(O)c(CN2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000179874890 495766261 /nfs/dbraw/zinc/76/62/61/495766261.db2.gz ZIFMQHJILJLTEM-UHFFFAOYSA-N 0 3 368.477 3.068 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000182977165 495782381 /nfs/dbraw/zinc/78/23/81/495782381.db2.gz OSZUIPLXMHBWPH-UHFFFAOYSA-N 0 3 355.434 3.310 20 10 FGCDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186021827 495824830 /nfs/dbraw/zinc/82/48/30/495824830.db2.gz SSJJSURTVQHIFF-NHYWBVRUSA-N 0 3 356.388 3.085 20 10 FGCDHN COCCOC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183106589 495836449 /nfs/dbraw/zinc/83/64/49/495836449.db2.gz MXLAKZRRMPWQNO-LJQANCHMSA-N 0 3 371.477 3.456 20 10 FGCDHN COCCOC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183106589 495836457 /nfs/dbraw/zinc/83/64/57/495836457.db2.gz MXLAKZRRMPWQNO-LJQANCHMSA-N 0 3 371.477 3.456 20 10 FGCDHN CC[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000155236330 495886727 /nfs/dbraw/zinc/88/67/27/495886727.db2.gz BZPOCAYFVROOLH-FQEVSTJZSA-N 0 3 368.477 3.333 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1[O-] ZINC000155364842 495934912 /nfs/dbraw/zinc/93/49/12/495934912.db2.gz MQLULFZCPZTGBZ-LJQANCHMSA-N 0 3 374.506 3.418 20 10 FGCDHN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183494550 496008318 /nfs/dbraw/zinc/00/83/18/496008318.db2.gz ZTBAPYCFGOEZKT-OAHLLOKOSA-N 0 3 362.495 3.071 20 10 FGCDHN COc1cc([O-])c(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1OC ZINC000181337336 496358266 /nfs/dbraw/zinc/35/82/66/496358266.db2.gz KXEDLLICZNQOLC-UHFFFAOYSA-N 0 3 371.462 3.260 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000184675828 496489208 /nfs/dbraw/zinc/48/92/08/496489208.db2.gz WTGGNIQEYXSOPL-ZDUSSCGKSA-N 0 3 372.856 3.477 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1[O-] ZINC000184675828 496489213 /nfs/dbraw/zinc/48/92/13/496489213.db2.gz WTGGNIQEYXSOPL-ZDUSSCGKSA-N 0 3 372.856 3.477 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000184705868 496500890 /nfs/dbraw/zinc/50/08/90/496500890.db2.gz FUMOWKILVGYECW-UHFFFAOYSA-N 0 3 374.868 3.449 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1 ZINC000185086778 496652506 /nfs/dbraw/zinc/65/25/06/496652506.db2.gz FTBXNPVGMFOTAL-OAHLLOKOSA-N 0 3 363.479 3.057 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c1 ZINC000185132466 496674568 /nfs/dbraw/zinc/67/45/68/496674568.db2.gz XFJSYVYPMMRGSQ-SJORKVTESA-N 0 3 370.493 3.472 20 10 FGCDHN C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000185147207 496680725 /nfs/dbraw/zinc/68/07/25/496680725.db2.gz IWFDGTITJTXEAB-MRXNPFEDSA-N 0 3 374.456 3.093 20 10 FGCDHN Cc1ccc([C@H](C)NCc2cccnc2N2CCN(C)CC2)c(O)c1C ZINC000273432268 496804730 /nfs/dbraw/zinc/80/47/30/496804730.db2.gz WCNOLXTYFBMZFD-KRWDZBQOSA-N 0 3 354.498 3.007 20 10 FGCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273585198 496847146 /nfs/dbraw/zinc/84/71/46/496847146.db2.gz NQATVXZZVYJDHG-CHWSQXEVSA-N 0 3 366.458 3.193 20 10 FGCDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(N)cc1)c1cccc(OC)c1 ZINC000236878282 497161569 /nfs/dbraw/zinc/16/15/69/497161569.db2.gz DAZIYMSTQMJJIU-HXUWFJFHSA-N 0 3 355.482 3.019 20 10 FGCDHN COc1ccc([C@H]2[C@H](CNC(=O)Cc3ccc(N)cc3)CCCN2C)cc1 ZINC000237384761 497228947 /nfs/dbraw/zinc/22/89/47/497228947.db2.gz MVRSLLICLAIDFE-AVRDEDQJSA-N 0 3 367.493 3.019 20 10 FGCDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccccc1[O-] ZINC000237392616 497229866 /nfs/dbraw/zinc/22/98/66/497229866.db2.gz BATSOSAOWXICAE-INIZCTEOSA-N 0 3 353.466 3.499 20 10 FGCDHN C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)ccc1[O-] ZINC000279017253 497304850 /nfs/dbraw/zinc/30/48/50/497304850.db2.gz UKKLQRNKLJAYBS-NEPJUHHUSA-N 0 3 350.260 3.264 20 10 FGCDHN Cc1cc(Br)cc(CN2CCS[C@H]3COCC[C@H]32)c1O ZINC000245608327 497472745 /nfs/dbraw/zinc/47/27/45/497472745.db2.gz AFDZYSLKCNCYAX-KGLIPLIRSA-N 0 3 358.301 3.169 20 10 FGCDHN CC(C)N(C)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000190793740 497606301 /nfs/dbraw/zinc/60/63/01/497606301.db2.gz PHIQHCVIXHDYBR-UHFFFAOYSA-N 0 3 372.488 3.192 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295828921 497822497 /nfs/dbraw/zinc/82/24/97/497822497.db2.gz DUKWEYGJFXXDIP-SFHVURJKSA-N 0 3 374.506 3.200 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000284695091 497870237 /nfs/dbraw/zinc/87/02/37/497870237.db2.gz YIGQGYAUTKHZLE-LAUBAEHRSA-N 0 3 372.513 3.087 20 10 FGCDHN COc1ccc([C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N2CCOCC2)cc1 ZINC000296129356 497930361 /nfs/dbraw/zinc/93/03/61/497930361.db2.gz VRKHJCQQYGUJLR-PMACEKPBSA-N 0 3 368.477 3.051 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000364449499 497962219 /nfs/dbraw/zinc/96/22/19/497962219.db2.gz USZVCQTVQUGHAJ-MUJYYYPQSA-N 0 3 362.470 3.421 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000364449499 497962226 /nfs/dbraw/zinc/96/22/26/497962226.db2.gz USZVCQTVQUGHAJ-MUJYYYPQSA-N 0 3 362.470 3.421 20 10 FGCDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000281214495 498059373 /nfs/dbraw/zinc/05/93/73/498059373.db2.gz LDAJAMCTEPZQDZ-FQEVSTJZSA-N 0 3 356.441 3.448 20 10 FGCDHN CCn1cnnc1C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000360342324 498266608 /nfs/dbraw/zinc/26/66/08/498266608.db2.gz JFDSLCZAYNGYJA-UHFFFAOYSA-N 0 3 350.850 3.045 20 10 FGCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000290112001 498432667 /nfs/dbraw/zinc/43/26/67/498432667.db2.gz ISMXUUSQDAEIHN-XCLFUZPHSA-N 0 3 363.429 3.193 20 10 FGCDHN COc1ccc(N2CCC(N(C)Cc3cccc4nccn43)CC2)cc1 ZINC000362046097 498457916 /nfs/dbraw/zinc/45/79/16/498457916.db2.gz NCOUQYGUKXYEHG-UHFFFAOYSA-N 0 3 350.466 3.444 20 10 FGCDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293852550 498511804 /nfs/dbraw/zinc/51/18/04/498511804.db2.gz UGSPGJKPELJZDN-ZDUSSCGKSA-N 0 3 374.416 3.004 20 10 FGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000293979633 498550711 /nfs/dbraw/zinc/55/07/11/498550711.db2.gz BFVIBBONWFFMIT-DYXWJJEUSA-N 0 3 355.478 3.301 20 10 FGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000293979649 498550976 /nfs/dbraw/zinc/55/09/76/498550976.db2.gz BFVIBBONWFFMIT-ZJOUEHCJSA-N 0 3 355.478 3.301 20 10 FGCDHN Cc1cc(CN2CCC(c3nnc4n3CCCC4)CC2)ccc1N(C)C ZINC000294491044 498707999 /nfs/dbraw/zinc/70/79/99/498707999.db2.gz HUXILLLETXCFPV-UHFFFAOYSA-N 0 3 353.514 3.368 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC[C@H](O)COc1cccc2[nH]ccc21 ZINC000579102500 506095065 /nfs/dbraw/zinc/09/50/65/506095065.db2.gz ISJHOOZNYHYZMP-INIZCTEOSA-N 0 3 363.461 3.498 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3cc(OC)ccc3[O-])CC2)c1 ZINC000294734871 498788944 /nfs/dbraw/zinc/78/89/44/498788944.db2.gz GPVCPTCHRFNMLX-AWEZNQCLSA-N 0 3 373.453 3.172 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291103146 498796444 /nfs/dbraw/zinc/79/64/44/498796444.db2.gz RREJXCVLIBVJDO-AWEZNQCLSA-N 0 3 355.438 3.171 20 10 FGCDHN COc1ccc(O)c(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291103146 498796453 /nfs/dbraw/zinc/79/64/53/498796453.db2.gz RREJXCVLIBVJDO-AWEZNQCLSA-N 0 3 355.438 3.171 20 10 FGCDHN CCOC(=O)c1cnn(C2CCN(Cc3cc(OCC)ccc3O)CC2)c1 ZINC000294782633 498802928 /nfs/dbraw/zinc/80/29/28/498802928.db2.gz LEJWIBVNELWPRX-UHFFFAOYSA-N 0 3 373.453 3.001 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(OCC)ccc3[O-])CC2)c1 ZINC000294782633 498802934 /nfs/dbraw/zinc/80/29/34/498802934.db2.gz LEJWIBVNELWPRX-UHFFFAOYSA-N 0 3 373.453 3.001 20 10 FGCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)N(C)C ZINC000298603540 498826916 /nfs/dbraw/zinc/82/69/16/498826916.db2.gz OZNIZDXETWDXDZ-FAFWDCIRSA-N 0 3 353.426 3.107 20 10 FGCDHN COCC1(O)CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000294894371 498840779 /nfs/dbraw/zinc/84/07/79/498840779.db2.gz RORQGUIQONGDOI-UHFFFAOYSA-N 0 3 360.523 3.358 20 10 FGCDHN OC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCC1(F)F ZINC000291348202 498905519 /nfs/dbraw/zinc/90/55/19/498905519.db2.gz WXWWIZGFMSQTJX-KRWDZBQOSA-N 0 3 363.404 3.421 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1[O-] ZINC000363850441 499024672 /nfs/dbraw/zinc/02/46/72/499024672.db2.gz HKDSESKUFSCNMY-RHSMWYFYSA-N 0 3 366.440 3.379 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(Cl)c1[O-] ZINC000367909418 499244209 /nfs/dbraw/zinc/24/42/09/499244209.db2.gz GNIQWLKENYBRIJ-KSSFIOAISA-N 0 3 351.922 3.255 20 10 FGCDHN CC(C)N1CCN([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000371333918 499312032 /nfs/dbraw/zinc/31/20/32/499312032.db2.gz FMSBHTYFJQKOEW-LJQANCHMSA-N 0 3 353.510 3.146 20 10 FGCDHN CC(C)N1CCN([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000371333918 499312034 /nfs/dbraw/zinc/31/20/34/499312034.db2.gz FMSBHTYFJQKOEW-LJQANCHMSA-N 0 3 353.510 3.146 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1 ZINC000371472526 499331497 /nfs/dbraw/zinc/33/14/97/499331497.db2.gz FECOIDDDLKUEFS-UHFFFAOYSA-N 0 3 373.449 3.027 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1 ZINC000371472526 499331498 /nfs/dbraw/zinc/33/14/98/499331498.db2.gz FECOIDDDLKUEFS-UHFFFAOYSA-N 0 3 373.449 3.027 20 10 FGCDHN COc1ccc(N2CCC(N[C@@H](C)C(=O)Nc3ccccc3)CC2)cc1 ZINC000368874783 499342249 /nfs/dbraw/zinc/34/22/49/499342249.db2.gz IALQWTDZHMPTMF-INIZCTEOSA-N 0 3 353.466 3.281 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1[O-] ZINC000369591954 499423802 /nfs/dbraw/zinc/42/38/02/499423802.db2.gz PAOIXIJPZJCNJC-GUYCJALGSA-N 0 3 361.511 3.166 20 10 FGCDHN COc1ccc(N2CCCN(Cc3cc(OC)c(O)c(OC)c3)CC2)cc1 ZINC000373077400 499450108 /nfs/dbraw/zinc/45/01/08/499450108.db2.gz HFQFSXIHWZQOAQ-UHFFFAOYSA-N 0 3 372.465 3.130 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1 ZINC000373185435 499456118 /nfs/dbraw/zinc/45/61/18/499456118.db2.gz IMPUTFXOGRVVJD-SCLBCKFNSA-N 0 3 361.511 3.166 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000376505822 499613540 /nfs/dbraw/zinc/61/35/40/499613540.db2.gz MPIWYXLTGQGECL-GOSISDBHSA-N 0 3 358.482 3.014 20 10 FGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1[O-] ZINC000377704592 499722836 /nfs/dbraw/zinc/72/28/36/499722836.db2.gz RMNAYUYTYRKDTC-UHFFFAOYSA-N 0 3 366.874 3.056 20 10 FGCDHN COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000527963478 504018230 /nfs/dbraw/zinc/01/82/30/504018230.db2.gz ADQRJNQBKVZHFI-WBVHZDCISA-N 0 3 356.466 3.335 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000528151741 504094826 /nfs/dbraw/zinc/09/48/26/504094826.db2.gz UXRNKWCOILMJDV-GDBMZVCRSA-N 0 3 361.486 3.168 20 10 FGCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCN1C1CCCC1 ZINC000528289751 504151309 /nfs/dbraw/zinc/15/13/09/504151309.db2.gz UQWBNHSUQKORES-QGZVFWFLSA-N 0 3 357.498 3.087 20 10 FGCDHN CN1CCC[C@@H]2C[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@@H]21 ZINC000830941189 602203394 /nfs/dbraw/zinc/20/33/94/602203394.db2.gz UMYQREOVTYMWFF-BEFAXECRSA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CCC[C@@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@@H]21 ZINC000830941189 602203395 /nfs/dbraw/zinc/20/33/95/602203395.db2.gz UMYQREOVTYMWFF-BEFAXECRSA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CCC[C@H]2C[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941191 602203621 /nfs/dbraw/zinc/20/36/21/602203621.db2.gz UMYQREOVTYMWFF-HNAYVOBHSA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CCC[C@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941191 602203623 /nfs/dbraw/zinc/20/36/23/602203623.db2.gz UMYQREOVTYMWFF-HNAYVOBHSA-N 0 3 354.450 3.160 20 10 FGCDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(OCC)ccc1O ZINC000825318247 608547670 /nfs/dbraw/zinc/54/76/70/608547670.db2.gz KELMUTGVZGDTHH-UHFFFAOYSA-N 0 3 367.453 3.383 20 10 FGCDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(OCC)ccc1O ZINC000825318247 608547671 /nfs/dbraw/zinc/54/76/71/608547671.db2.gz KELMUTGVZGDTHH-UHFFFAOYSA-N 0 3 367.453 3.383 20 10 FGCDHN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(OCC)ccc1O ZINC000825318247 608547672 /nfs/dbraw/zinc/54/76/72/608547672.db2.gz KELMUTGVZGDTHH-UHFFFAOYSA-N 0 3 367.453 3.383 20 10 FGCDHN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(OCC)ccc1O ZINC000825318247 608547673 /nfs/dbraw/zinc/54/76/73/608547673.db2.gz KELMUTGVZGDTHH-UHFFFAOYSA-N 0 3 367.453 3.383 20 10 FGCDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000084070416 700353402 /nfs/dbraw/zinc/35/34/02/700353402.db2.gz VVYVADBVYZLWJJ-UHFFFAOYSA-N 0 3 360.527 3.088 20 10 FGCDHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000127275737 700759557 /nfs/dbraw/zinc/75/95/57/700759557.db2.gz RUZOALCIJNDORJ-BSEYFRJRSA-N 0 3 372.962 3.374 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2cccs2)c1[O-] ZINC000152997078 704982050 /nfs/dbraw/zinc/98/20/50/704982050.db2.gz SRTKPMBYCHEPFD-HNNXBMFYSA-N 0 3 372.284 3.222 20 10 FGCDHN CC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)c1ccccc1[O-] ZINC000156808490 705132767 /nfs/dbraw/zinc/13/27/67/705132767.db2.gz VJTWJJYSKRAFNQ-HNNXBMFYSA-N 0 3 368.524 3.090 20 10 FGCDHN CN(c1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1)C1CCCCC1 ZINC000182676319 705856453 /nfs/dbraw/zinc/85/64/53/705856453.db2.gz WWPVGLWYGRSWTQ-QGZVFWFLSA-N 0 3 350.528 3.122 20 10 FGCDHN c1cc(-c2n[nH]cc2CNCc2ccc(N3CCOCC3)cc2)cs1 ZINC000780509227 724473385 /nfs/dbraw/zinc/47/33/85/724473385.db2.gz BOMWZQSQYYNPTC-UHFFFAOYSA-N 0 3 354.479 3.265 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000782547283 724681588 /nfs/dbraw/zinc/68/15/88/724681588.db2.gz PAGBEOFMDFCQGV-UONOGXRCSA-N 0 3 350.459 3.326 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000758527903 722991167 /nfs/dbraw/zinc/99/11/67/722991167.db2.gz ZNYDYWWOGRZJHZ-AWEZNQCLSA-N 0 3 350.256 3.096 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1[O-] ZINC000789764548 723071659 /nfs/dbraw/zinc/07/16/59/723071659.db2.gz HZKJPKKMQUEKNK-UHFFFAOYSA-N 0 3 371.319 3.006 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1[O-] ZINC000789764548 723071664 /nfs/dbraw/zinc/07/16/64/723071664.db2.gz HZKJPKKMQUEKNK-UHFFFAOYSA-N 0 3 371.319 3.006 20 10 FGCDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000760886020 723101530 /nfs/dbraw/zinc/10/15/30/723101530.db2.gz NNODQBQSCKVCRM-NIKGAXFTSA-N 0 3 368.905 3.021 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(C(=O)N(C)C(C)C)CC2)c1O ZINC000761191895 723131558 /nfs/dbraw/zinc/13/15/58/723131558.db2.gz FAMDLVVFQPCDBD-UHFFFAOYSA-N 0 3 354.878 3.133 20 10 FGCDHN C[C@@H](NCCNc1ccccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000766143357 723558319 /nfs/dbraw/zinc/55/83/19/723558319.db2.gz YVKBLYGWEIXZJO-OAHLLOKOSA-N 0 3 360.889 3.334 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769120894 723677360 /nfs/dbraw/zinc/67/73/60/723677360.db2.gz LPERHBJZCDXBII-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769120894 723677361 /nfs/dbraw/zinc/67/73/61/723677361.db2.gz LPERHBJZCDXBII-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)cc(C)c1[O-])CC2 ZINC000775699515 724026932 /nfs/dbraw/zinc/02/69/32/724026932.db2.gz GERGPSSDIOUALN-AWEZNQCLSA-N 0 3 368.271 3.238 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1[O-] ZINC000776175840 724115986 /nfs/dbraw/zinc/11/59/86/724115986.db2.gz VLRLQMKUWSSGFS-UHFFFAOYSA-N 0 3 362.267 3.083 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c1[O-] ZINC000786823759 725002084 /nfs/dbraw/zinc/00/20/84/725002084.db2.gz NMAMCRBFEPBRJJ-LLVKDONJSA-N 0 3 372.181 3.220 20 10 FGCDHN COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])[C@H]1CCCO1 ZINC000788622314 725076538 /nfs/dbraw/zinc/07/65/38/725076538.db2.gz AMWNIRNISMDBQM-TUKIKUTGSA-N 0 3 358.276 3.308 20 10 FGCDHN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808678357 725213034 /nfs/dbraw/zinc/21/30/34/725213034.db2.gz PISQZWAZXGAVMR-CYBMUJFWSA-N 0 3 362.857 3.330 20 10 FGCDHN CC[C@@H]([NH2+][C@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000809663665 725257484 /nfs/dbraw/zinc/25/74/84/725257484.db2.gz SPPOQHLVMOMMOT-CRAIPNDOSA-N 0 3 362.495 3.190 20 10 FGCDHN Cn1ncc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000815127026 727042015 /nfs/dbraw/zinc/04/20/15/727042015.db2.gz JQFFXTAFAIYMIZ-CYBMUJFWSA-N 0 3 370.831 3.434 20 10 FGCDHN CCNCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817951947 727289493 /nfs/dbraw/zinc/28/94/93/727289493.db2.gz LOKRLXGAYRJPBW-QMMMGPOBSA-N 0 3 366.097 3.177 20 10 FGCDHN COc1ccc(O)c(CNc2cc(N(C)C)c(Br)cn2)c1 ZINC000825104545 729370927 /nfs/dbraw/zinc/37/09/27/729370927.db2.gz ZPYGDVDQKFLZEP-UHFFFAOYSA-N 0 3 352.232 3.236 20 10 FGCDHN COc1cccc(O)c1CN(C)C[C@@H](O)c1ccccc1Br ZINC000825305435 729377817 /nfs/dbraw/zinc/37/78/17/729377817.db2.gz IXZPTMHRGSGQMW-MRXNPFEDSA-N 0 3 366.255 3.329 20 10 FGCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000825305435 729377818 /nfs/dbraw/zinc/37/78/18/729377818.db2.gz IXZPTMHRGSGQMW-MRXNPFEDSA-N 0 3 366.255 3.329 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000825305435 729377819 /nfs/dbraw/zinc/37/78/19/729377819.db2.gz IXZPTMHRGSGQMW-MRXNPFEDSA-N 0 3 366.255 3.329 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000835060612 729854511 /nfs/dbraw/zinc/85/45/11/729854511.db2.gz SBLFWPRWUNCYCP-LLVKDONJSA-N 0 3 358.276 3.458 20 10 FGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000840958081 730197140 /nfs/dbraw/zinc/19/71/40/730197140.db2.gz IEUSVBHRXHQVCD-MRXNPFEDSA-N 0 3 354.219 3.459 20 10 FGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000840958081 730197142 /nfs/dbraw/zinc/19/71/42/730197142.db2.gz IEUSVBHRXHQVCD-MRXNPFEDSA-N 0 3 354.219 3.459 20 10 FGCDHN COc1cccc([C@@H](C)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846162070 730933018 /nfs/dbraw/zinc/93/30/18/730933018.db2.gz ADRWKPDIESAIEG-LSDHHAIUSA-N 0 3 363.479 3.222 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1[O-] ZINC000848520411 731174792 /nfs/dbraw/zinc/17/47/92/731174792.db2.gz ITJQGCINGSUJAN-YGRLFVJLSA-N 0 3 357.292 3.154 20 10 FGCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])cn1 ZINC000848519635 731174862 /nfs/dbraw/zinc/17/48/62/731174862.db2.gz SKLRMTBTLPWXEM-JTQLQIEISA-N 0 3 367.243 3.418 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CCO)CCC2)c1[O-] ZINC000848535904 731177669 /nfs/dbraw/zinc/17/76/69/731177669.db2.gz LUQGXPBSRVQOJL-NSHDSACASA-N 0 3 358.276 3.367 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1[O-] ZINC000848548070 731179384 /nfs/dbraw/zinc/17/93/84/731179384.db2.gz ULLNFWSDQBXYFZ-CMPLNLGQSA-N 0 3 366.259 3.025 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCOC(F)(F)F)c1[O-] ZINC000848548322 731179429 /nfs/dbraw/zinc/17/94/29/731179429.db2.gz ZMMRXNFFTYJKFY-ZETCQYMHSA-N 0 3 358.154 3.350 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1[O-] ZINC000848575582 731184525 /nfs/dbraw/zinc/18/45/25/731184525.db2.gz SPTAWTUQMLXJMC-LSDHHAIUSA-N 0 3 369.303 3.270 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCC23CCOCC3)c1[O-] ZINC000865778897 733267981 /nfs/dbraw/zinc/26/79/81/733267981.db2.gz PRJFGJPIOLRSSL-CYBMUJFWSA-N 0 3 370.287 3.460 20 10 FGCDHN CN(C)c1ccc(CNc2cc3n(n2)CCN(C)C3)c(C(F)(F)F)c1 ZINC000865846118 733281038 /nfs/dbraw/zinc/28/10/38/733281038.db2.gz WTJZWJXQZKTUBW-UHFFFAOYSA-N 0 3 353.392 3.025 20 10 FGCDHN COc1ccc(CN[C@@H](CCO)c2cccs2)cc1Cn1cccn1 ZINC000873058849 735715047 /nfs/dbraw/zinc/71/50/47/735715047.db2.gz KEYGUVNNQOREET-KRWDZBQOSA-N 0 3 357.479 3.215 20 10 FGCDHN COc1cc(C)cc(CN[C@H](CO)c2ccc(Br)cc2)c1O ZINC000894368476 742274095 /nfs/dbraw/zinc/27/40/95/742274095.db2.gz QYSRTLWRJGAMAR-OAHLLOKOSA-N 0 3 366.255 3.295 20 10 FGCDHN CCn1cnc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000902277533 743728128 /nfs/dbraw/zinc/72/81/28/743728128.db2.gz MEWPOYUAPOBSPN-AWEZNQCLSA-N 0 3 350.413 3.263 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1[O-] ZINC000903424431 743848702 /nfs/dbraw/zinc/84/87/02/743848702.db2.gz VDMCJQILJRDCSH-GOSISDBHSA-N 0 3 362.495 3.337 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncc(Br)n3C2)c([O-])c1 ZINC000903477852 743854430 /nfs/dbraw/zinc/85/44/30/743854430.db2.gz DCNJLPVTEBKIBJ-NEPJUHHUSA-N 0 3 350.260 3.325 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000921611557 758755506 /nfs/dbraw/zinc/75/55/06/758755506.db2.gz CLWVKRIQIALEGT-AWEZNQCLSA-N 0 3 360.479 3.234 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1[O-] ZINC000779033798 724383028 /nfs/dbraw/zinc/38/30/28/724383028.db2.gz ZVGZBTJDTHKDNY-YPMHNXCESA-N 0 3 355.276 3.123 20 10 FGCDHN COc1cc(OC)cc(C2(O)CC[NH+](Cc3cc(C)ccc3[O-])CC2)c1 ZINC000092009615 494752318 /nfs/dbraw/zinc/75/23/18/494752318.db2.gz HSKWUHGGSICFOM-UHFFFAOYSA-N 0 3 357.450 3.201 20 10 FGCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000179646659 495676054 /nfs/dbraw/zinc/67/60/54/495676054.db2.gz GXARXJSVRAFLEN-XLIONFOSSA-N 0 3 351.450 3.213 20 10 FGCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000179646659 495676057 /nfs/dbraw/zinc/67/60/57/495676057.db2.gz GXARXJSVRAFLEN-XLIONFOSSA-N 0 3 351.450 3.213 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741571 495713330 /nfs/dbraw/zinc/71/33/30/495713330.db2.gz JBSCAPRFYLZTBJ-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741571 495713332 /nfs/dbraw/zinc/71/33/32/495713332.db2.gz JBSCAPRFYLZTBJ-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN Cc1cc(Br)cc(C[NH+]2CCC(n3ccnc3)CC2)c1[O-] ZINC000179902704 495777058 /nfs/dbraw/zinc/77/70/58/495777058.db2.gz RILSFMQIYQJYAQ-UHFFFAOYSA-N 0 3 350.260 3.497 20 10 FGCDHN CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3[O-])C2)ncn1 ZINC000186023647 495824807 /nfs/dbraw/zinc/82/48/07/495824807.db2.gz WIUWQDGQJCSOLC-HOCLYGCPSA-N 0 3 356.470 3.073 20 10 FGCDHN NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183109714 495839306 /nfs/dbraw/zinc/83/93/06/495839306.db2.gz SDJGVCQUWSFABK-QGZVFWFLSA-N 0 3 354.450 3.059 20 10 FGCDHN NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183109714 495839310 /nfs/dbraw/zinc/83/93/10/495839310.db2.gz SDJGVCQUWSFABK-QGZVFWFLSA-N 0 3 354.450 3.059 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccccc1[O-] ZINC000155321490 495919601 /nfs/dbraw/zinc/91/96/01/495919601.db2.gz YWGIYLJZCNEFBQ-OAQYLSRUSA-N 0 3 370.493 3.344 20 10 FGCDHN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183494530 496008431 /nfs/dbraw/zinc/00/84/31/496008431.db2.gz ZTBAPYCFGOEZKT-HNNXBMFYSA-N 0 3 362.495 3.071 20 10 FGCDHN Cc1cc(Br)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000180683118 496102341 /nfs/dbraw/zinc/10/23/41/496102341.db2.gz AFDZYSLKCNCYAX-UONOGXRCSA-N 0 3 358.301 3.169 20 10 FGCDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000161169599 496119342 /nfs/dbraw/zinc/11/93/42/496119342.db2.gz ZDFLHENVOBFSTA-INIZCTEOSA-N 0 3 368.481 3.154 20 10 FGCDHN COc1cccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000152885292 496286158 /nfs/dbraw/zinc/28/61/58/496286158.db2.gz HRGHKFNUDFDELS-UHFFFAOYSA-N 0 3 350.459 3.326 20 10 FGCDHN COc1cc(Cl)cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1[O-] ZINC000184675496 496488725 /nfs/dbraw/zinc/48/87/25/496488725.db2.gz ISNCGNMBPAWEAD-UHFFFAOYSA-N 0 3 372.856 3.477 20 10 FGCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000178665222 496533050 /nfs/dbraw/zinc/53/30/50/496533050.db2.gz QTWHILFGSXXYBB-CVEARBPZSA-N 0 3 368.481 3.426 20 10 FGCDHN COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1OCC(=O)N(C)C ZINC000273360995 496783519 /nfs/dbraw/zinc/78/35/19/496783519.db2.gz CZBGJHWHBRQIHG-HNNXBMFYSA-N 0 3 372.465 3.027 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2N2CCOCC2)c1 ZINC000273363383 496784768 /nfs/dbraw/zinc/78/47/68/496784768.db2.gz AXGKEJSBPRPNCR-CQSZACIVSA-N 0 3 360.429 3.227 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c([O-])c1C ZINC000273437519 496805879 /nfs/dbraw/zinc/80/58/79/496805879.db2.gz XLIRLQZUJBNMMT-MRXNPFEDSA-N 0 3 356.466 3.327 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(F)ccc1[O-] ZINC000273585202 496847171 /nfs/dbraw/zinc/84/71/71/496847171.db2.gz NQATVXZZVYJDHG-QWHCGFSZSA-N 0 3 366.458 3.193 20 10 FGCDHN CCN1CCN(c2ccc(CNCc3ccc(F)nc3C)cc2F)CC1 ZINC000278315043 497072664 /nfs/dbraw/zinc/07/26/64/497072664.db2.gz DMPDWBUZHBVVCE-UHFFFAOYSA-N 0 3 360.452 3.100 20 10 FGCDHN CCCCCC(=O)NC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271079464 497260685 /nfs/dbraw/zinc/26/06/85/497260685.db2.gz IFGRTYAFIDCSJK-UHFFFAOYSA-N 0 3 364.486 3.070 20 10 FGCDHN COc1cc(O)c(CN2CCC(c3noc(C(C)C)n3)CC2)cc1OC ZINC000271090780 497261348 /nfs/dbraw/zinc/26/13/48/497261348.db2.gz KYGPKPQXJXUUNL-UHFFFAOYSA-N 0 3 361.442 3.295 20 10 FGCDHN C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193010468 497273558 /nfs/dbraw/zinc/27/35/58/497273558.db2.gz TXMTXQFVAHNCDP-UHFFFAOYSA-N 0 3 354.450 3.082 20 10 FGCDHN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193010468 497273559 /nfs/dbraw/zinc/27/35/59/497273559.db2.gz TXMTXQFVAHNCDP-UHFFFAOYSA-N 0 3 354.450 3.082 20 10 FGCDHN CN(C)c1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000271171523 497280260 /nfs/dbraw/zinc/28/02/60/497280260.db2.gz MBZDJOZNUYGDDW-UHFFFAOYSA-N 0 3 353.466 3.309 20 10 FGCDHN COc1cccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000271182632 497284006 /nfs/dbraw/zinc/28/40/06/497284006.db2.gz PGGAPULQATZNLT-UHFFFAOYSA-N 0 3 354.450 3.137 20 10 FGCDHN COc1cccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000271182632 497284007 /nfs/dbraw/zinc/28/40/07/497284007.db2.gz PGGAPULQATZNLT-UHFFFAOYSA-N 0 3 354.450 3.137 20 10 FGCDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000275359236 497300891 /nfs/dbraw/zinc/30/08/91/497300891.db2.gz AUXSCJJOKSDYLE-PMACEKPBSA-N 0 3 354.498 3.420 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245715692 497513676 /nfs/dbraw/zinc/51/36/76/497513676.db2.gz CTUMEXXLTHHVCX-UYAOXDASSA-N 0 3 356.514 3.212 20 10 FGCDHN COC1CCN(c2ccc(CN3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000295953211 497866518 /nfs/dbraw/zinc/86/65/18/497866518.db2.gz ITXWYSSWNXVRFV-NPPFBWRTSA-N 0 3 374.525 3.070 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000280968288 497969199 /nfs/dbraw/zinc/96/91/99/497969199.db2.gz IGFGBFQAZXZZHZ-BIBXISHDSA-N 0 3 360.317 3.415 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1[O-] ZINC000360717078 498301166 /nfs/dbraw/zinc/30/11/66/498301166.db2.gz VXSMUGZBOUEALE-XJKSGUPXSA-N 0 3 352.413 3.455 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C2(C3CC3)CCOCC2)c1[O-] ZINC000361968711 498446903 /nfs/dbraw/zinc/44/69/03/498446903.db2.gz OVHISVTVCUZZQA-UHFFFAOYSA-N 0 3 356.260 3.212 20 10 FGCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1OC ZINC000290178945 498453777 /nfs/dbraw/zinc/45/37/77/498453777.db2.gz NJBHDOMXRRGJHS-BTYIYWSLSA-N 0 3 359.466 3.362 20 10 FGCDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293779600 498487228 /nfs/dbraw/zinc/48/72/28/498487228.db2.gz QBKWYCZZYGFGTB-DENIHFKCSA-N 0 3 367.537 3.292 20 10 FGCDHN CCN(CC)c1ccc(CN[C@H]2CCCc3c2cnn3CCO)cc1F ZINC000363246422 498724511 /nfs/dbraw/zinc/72/45/11/498724511.db2.gz VZSQAFVDMWRYKO-SFHVURJKSA-N 0 3 360.477 3.028 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000363859469 499028041 /nfs/dbraw/zinc/02/80/41/499028041.db2.gz SJWWOYVPOXVNOF-GDBMZVCRSA-N 0 3 356.470 3.276 20 10 FGCDHN CCc1nc(CN2CCC[C@@H]([N@H+](C)[C@H](C)c3cc(OC)ccc3[O-])C2)no1 ZINC000368030323 499257357 /nfs/dbraw/zinc/25/73/57/499257357.db2.gz MYBOKLKAWSBSDR-HUUCEWRRSA-N 0 3 374.485 3.004 20 10 FGCDHN CCc1nc(CN2CCC[C@@H]([N@@H+](C)[C@H](C)c3cc(OC)ccc3[O-])C2)no1 ZINC000368030323 499257358 /nfs/dbraw/zinc/25/73/58/499257358.db2.gz MYBOKLKAWSBSDR-HUUCEWRRSA-N 0 3 374.485 3.004 20 10 FGCDHN C[C@@H](NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1nccn1C ZINC000368468772 499298991 /nfs/dbraw/zinc/29/89/91/499298991.db2.gz BWCULIVPQSVTCW-ZIAGYGMSSA-N 0 3 368.403 3.496 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368655286 499317953 /nfs/dbraw/zinc/31/79/53/499317953.db2.gz JIOCECHMSPWTLD-MRXNPFEDSA-N 0 3 366.465 3.288 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368655286 499317955 /nfs/dbraw/zinc/31/79/55/499317955.db2.gz JIOCECHMSPWTLD-MRXNPFEDSA-N 0 3 366.465 3.288 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)c1[O-] ZINC000369591955 499423896 /nfs/dbraw/zinc/42/38/96/499423896.db2.gz PAOIXIJPZJCNJC-SUMWQHHRSA-N 0 3 361.511 3.166 20 10 FGCDHN CN1CCC(n2ccc(NCc3ccc(N4CCCCC4)cc3)n2)CC1 ZINC000373262111 499460375 /nfs/dbraw/zinc/46/03/75/499460375.db2.gz SYNRHSPFQGWDKT-UHFFFAOYSA-N 0 3 353.514 3.174 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000375256972 499499833 /nfs/dbraw/zinc/49/98/33/499499833.db2.gz WJWJFTFGDMOMMZ-HNNXBMFYSA-N 0 3 372.440 3.449 20 10 FGCDHN CNC(=O)C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000377698480 499721667 /nfs/dbraw/zinc/72/16/67/499721667.db2.gz PEFQOYHTJHHRCF-UHFFFAOYSA-N 0 3 363.505 3.207 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCc4ccccc4O3)C1)[C@H](O)CO2 ZINC000530102850 503838590 /nfs/dbraw/zinc/83/85/90/503838590.db2.gz BIOLUVBMFNQIMK-DENIHFKCSA-N 0 3 367.445 3.178 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCc4ccccc4O3)C1)[C@H](O)CO2 ZINC000530102850 503838595 /nfs/dbraw/zinc/83/85/95/503838595.db2.gz BIOLUVBMFNQIMK-DENIHFKCSA-N 0 3 367.445 3.178 20 10 FGCDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000275441030 527325350 /nfs/dbraw/zinc/32/53/50/527325350.db2.gz FWTBKOXKKFARJA-LEWJYISDSA-N 0 3 354.498 3.420 20 10 FGCDHN C[C@@H](NCCOC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000121040398 700664455 /nfs/dbraw/zinc/66/44/55/700664455.db2.gz BCRNXQPBFBGEDT-NVXWUHKLSA-N 0 3 368.905 3.023 20 10 FGCDHN CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000180476234 705742085 /nfs/dbraw/zinc/74/20/85/705742085.db2.gz JGLMPTNHRSKLNH-KRWDZBQOSA-N 0 3 367.559 3.045 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000182451290 705843859 /nfs/dbraw/zinc/84/38/59/705843859.db2.gz TVVGKDJHQURXGW-SECBINFHSA-N 0 3 354.328 3.107 20 10 FGCDHN CCN(C)c1ccc(CNCc2ccc(N3CCSCC3)cc2)cn1 ZINC000190789806 712822814 /nfs/dbraw/zinc/82/28/14/712822814.db2.gz SFZFMMSHVFGGQS-UHFFFAOYSA-N 0 3 356.539 3.381 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164848 724397142 /nfs/dbraw/zinc/39/71/42/724397142.db2.gz ZVTUAEIFJMNFJZ-KGLIPLIRSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164848 724397147 /nfs/dbraw/zinc/39/71/47/724397147.db2.gz ZVTUAEIFJMNFJZ-KGLIPLIRSA-N 0 3 350.459 3.136 20 10 FGCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)c([O-])c1 ZINC000749926974 722748070 /nfs/dbraw/zinc/74/80/70/722748070.db2.gz SAVCHWDOLOMHFM-KRWDZBQOSA-N 0 3 360.841 3.339 20 10 FGCDHN C[C@]1(C(N)=O)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000794717029 723542522 /nfs/dbraw/zinc/54/25/22/723542522.db2.gz WNWZRKGOZBPFNQ-KRWDZBQOSA-N 0 3 363.255 3.005 20 10 FGCDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000794717029 723542524 /nfs/dbraw/zinc/54/25/24/723542524.db2.gz WNWZRKGOZBPFNQ-KRWDZBQOSA-N 0 3 363.255 3.005 20 10 FGCDHN CN1CCN(c2ccc(CNCc3ccc(Br)o3)cc2)CC1 ZINC000782540742 724680755 /nfs/dbraw/zinc/68/07/55/724680755.db2.gz ZGMGZVMINMAACA-UHFFFAOYSA-N 0 3 364.287 3.084 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccccc2O)s1 ZINC000783504627 724759182 /nfs/dbraw/zinc/75/91/82/724759182.db2.gz IAMLYBVOTWPWTD-CYBMUJFWSA-N 0 3 368.524 3.335 20 10 FGCDHN Oc1cc2c(cc1CNCc1ccc(Br)cc1F)OCO2 ZINC000732231025 722482883 /nfs/dbraw/zinc/48/28/83/722482883.db2.gz FQJKDYWLEYQXIF-UHFFFAOYSA-N 0 3 354.175 3.312 20 10 FGCDHN Cc1ccc(O)c(CNCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000733326936 722495683 /nfs/dbraw/zinc/49/56/83/722495683.db2.gz FYXFCMFBTYZLKW-UHFFFAOYSA-N 0 3 363.255 3.500 20 10 FGCDHN Cc1ccc(O)c(CNCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000733328178 722495696 /nfs/dbraw/zinc/49/56/96/722495696.db2.gz PZACBWBTYDWEFU-UHFFFAOYSA-N 0 3 363.255 3.500 20 10 FGCDHN CO[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1OC ZINC000792714032 723360264 /nfs/dbraw/zinc/36/02/64/723360264.db2.gz SDWOVAXUYJRPSK-CALCHBBNSA-N 0 3 366.255 3.154 20 10 FGCDHN CO[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@@H]1OC ZINC000792714032 723360267 /nfs/dbraw/zinc/36/02/67/723360267.db2.gz SDWOVAXUYJRPSK-CALCHBBNSA-N 0 3 366.255 3.154 20 10 FGCDHN COCCOC[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831415 723372550 /nfs/dbraw/zinc/37/25/50/723372550.db2.gz GMMWJPXNDHWBRT-CQSZACIVSA-N 0 3 360.420 3.256 20 10 FGCDHN CC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(C)cc1[O-] ZINC000794816711 723547621 /nfs/dbraw/zinc/54/76/21/723547621.db2.gz OGSRKFZMDBNPKY-HNNXBMFYSA-N 0 3 368.524 3.124 20 10 FGCDHN C[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443190 723657650 /nfs/dbraw/zinc/65/76/50/723657650.db2.gz RCQFVNFXIOZTAO-INIZCTEOSA-N 0 3 364.239 3.213 20 10 FGCDHN C[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768443190 723657652 /nfs/dbraw/zinc/65/76/52/723657652.db2.gz RCQFVNFXIOZTAO-INIZCTEOSA-N 0 3 364.239 3.213 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000770376634 723712297 /nfs/dbraw/zinc/71/22/97/723712297.db2.gz WIEOBQWLQOFDAF-QWHCGFSZSA-N 0 3 370.287 3.412 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000770376634 723712298 /nfs/dbraw/zinc/71/22/98/723712298.db2.gz WIEOBQWLQOFDAF-QWHCGFSZSA-N 0 3 370.287 3.412 20 10 FGCDHN Cc1csc(C2(NCc3ccc(N4CCN(C)CC4)cc3)CCC2)n1 ZINC000771819593 723743160 /nfs/dbraw/zinc/74/31/60/723743160.db2.gz USYDNJZXKSCXAO-UHFFFAOYSA-N 0 3 356.539 3.372 20 10 FGCDHN CC1=C(Br)CN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000797604706 723841549 /nfs/dbraw/zinc/84/15/49/723841549.db2.gz BLAZZBSLZJULOS-UHFFFAOYSA-N 0 3 364.331 3.313 20 10 FGCDHN CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000774488944 723899441 /nfs/dbraw/zinc/89/94/41/723899441.db2.gz SJPZETNXIKUXHW-FFKNIBCLSA-N 0 3 358.276 3.044 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000798955188 723979202 /nfs/dbraw/zinc/97/92/02/723979202.db2.gz MAEXQTQLIWAWOR-UHFFFAOYSA-N 0 3 350.821 3.311 20 10 FGCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775491193 723995254 /nfs/dbraw/zinc/99/52/54/723995254.db2.gz BLNDYHACHYFQNQ-QZTJIDSGSA-N 0 3 353.938 3.358 20 10 FGCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788755908 725086026 /nfs/dbraw/zinc/08/60/26/725086026.db2.gz SYNFYPOBAUCDCI-ZIAGYGMSSA-N 0 3 359.436 3.088 20 10 FGCDHN COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808706150 725214419 /nfs/dbraw/zinc/21/44/19/725214419.db2.gz DPGXZRUYEYYNOV-CYBMUJFWSA-N 0 3 354.878 3.032 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000809697617 725260101 /nfs/dbraw/zinc/26/01/01/725260101.db2.gz KFVMPTDGMARRRU-INIZCTEOSA-N 0 3 351.878 3.124 20 10 FGCDHN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000816511157 727169704 /nfs/dbraw/zinc/16/97/04/727169704.db2.gz PZDANWIRLHAGBY-HNNXBMFYSA-N 0 3 352.356 3.140 20 10 FGCDHN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000816511157 727169707 /nfs/dbraw/zinc/16/97/07/727169707.db2.gz PZDANWIRLHAGBY-HNNXBMFYSA-N 0 3 352.356 3.140 20 10 FGCDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000823540952 729287890 /nfs/dbraw/zinc/28/78/90/729287890.db2.gz GHSJVLHVYYCOPT-UHFFFAOYSA-N 0 3 359.455 3.115 20 10 FGCDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000824683445 729354880 /nfs/dbraw/zinc/35/48/80/729354880.db2.gz JTNIRYIRICJGCB-AWEZNQCLSA-N 0 3 357.292 3.056 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1[O-] ZINC000824846109 729361801 /nfs/dbraw/zinc/36/18/01/729361801.db2.gz PWZBXNOSSVWWDS-GDBMZVCRSA-N 0 3 370.287 3.050 20 10 FGCDHN CCS(=O)(=O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000840889129 730188758 /nfs/dbraw/zinc/18/87/58/730188758.db2.gz OSMALSOLNJSZLK-LJQANCHMSA-N 0 3 361.507 3.481 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1[O-] ZINC000840975216 730200050 /nfs/dbraw/zinc/20/00/50/730200050.db2.gz UPZSNHFPCSXPFB-OAHLLOKOSA-N 0 3 352.862 3.031 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1[O-] ZINC000840975216 730200053 /nfs/dbraw/zinc/20/00/53/730200053.db2.gz UPZSNHFPCSXPFB-OAHLLOKOSA-N 0 3 352.862 3.031 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCc2ccc(N)cc2)c1[O-] ZINC000841034570 730205065 /nfs/dbraw/zinc/20/50/65/730205065.db2.gz HUVOAXLYLVKHJO-UHFFFAOYSA-N 0 3 351.244 3.078 20 10 FGCDHN Nc1ccc(CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000841637475 730261107 /nfs/dbraw/zinc/26/11/07/730261107.db2.gz SXXTYCKBJWLXKX-QGZVFWFLSA-N 0 3 358.511 3.009 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)NCc1cccs1 ZINC000843428180 730619786 /nfs/dbraw/zinc/61/97/86/730619786.db2.gz QXVVVUCCAZBMSW-AWEZNQCLSA-N 0 3 368.886 3.300 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)c1[O-] ZINC000848518690 731174309 /nfs/dbraw/zinc/17/43/09/731174309.db2.gz MQRQJJCGPFYUKC-NILFDRSVSA-N 0 3 369.303 3.441 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCCn2ccnc2)c1[O-] ZINC000848519799 731174865 /nfs/dbraw/zinc/17/48/65/731174865.db2.gz FBIXPHMVNTXREK-GFCCVEGCSA-N 0 3 368.275 3.491 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2c(C)nn(C)c2C)c1[O-] ZINC000848524846 731175257 /nfs/dbraw/zinc/17/52/57/731175257.db2.gz IIKARXXKHCQYFQ-VIFPVBQESA-N 0 3 368.275 3.364 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCn2ccnc2C)c1[O-] ZINC000848525449 731175305 /nfs/dbraw/zinc/17/53/05/731175305.db2.gz NZILWFXNHZONBB-SNVBAGLBSA-N 0 3 354.248 3.019 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000848535816 731177568 /nfs/dbraw/zinc/17/75/68/731177568.db2.gz HBTGCNDBBLOBSR-MADCSZMMSA-N 0 3 372.181 3.127 20 10 FGCDHN COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])[C@H]1CCCO1 ZINC000848549010 731179813 /nfs/dbraw/zinc/17/98/13/731179813.db2.gz IXSJAASBOPMAND-DDTOSNHZSA-N 0 3 374.275 3.008 20 10 FGCDHN CCc1cccc(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000848895632 731218362 /nfs/dbraw/zinc/21/83/62/731218362.db2.gz UUHKJEOUNXBZMY-AWEZNQCLSA-N 0 3 362.495 3.056 20 10 FGCDHN COCc1csc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000850034245 731311586 /nfs/dbraw/zinc/31/15/86/731311586.db2.gz JANOIIKUFQCCEF-UHFFFAOYSA-N 0 3 350.459 3.160 20 10 FGCDHN CC[C@H](COCC1CC1)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000850350415 731346567 /nfs/dbraw/zinc/34/65/67/731346567.db2.gz RRRAPZSYHQRORJ-CQSZACIVSA-N 0 3 358.276 3.458 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](OC)C2CCCC2)c1[O-] ZINC000850401093 731352805 /nfs/dbraw/zinc/35/28/05/731352805.db2.gz UOBCINLLBHNRNP-OAHLLOKOSA-N 0 3 358.276 3.458 20 10 FGCDHN COC(=O)C1=CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858472962 732218420 /nfs/dbraw/zinc/21/84/20/732218420.db2.gz MCLGVFBYBCXCPD-UKRRQHHQSA-N 0 3 364.873 3.089 20 10 FGCDHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858546266 732226123 /nfs/dbraw/zinc/22/61/23/732226123.db2.gz QSINWPRIYUSZHR-ZUEVXXBESA-N 0 3 350.890 3.395 20 10 FGCDHN C[NH+](C)CC[C@H](NCc1ccc(Br)cc1[O-])c1cccnc1 ZINC000896716378 742588660 /nfs/dbraw/zinc/58/86/60/742588660.db2.gz IAGSMXAQCVFIFE-INIZCTEOSA-N 0 3 364.287 3.332 20 10 FGCDHN CSCc1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898449634 742795466 /nfs/dbraw/zinc/79/54/66/742795466.db2.gz INTSHEVZVASRKV-KRWDZBQOSA-N 0 3 364.584 3.465 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)c1[O-] ZINC000903439603 743852159 /nfs/dbraw/zinc/85/21/59/743852159.db2.gz GGXPUAXTIHNOFI-FZZIBODNSA-N 0 3 356.260 3.239 20 10 FGCDHN COc1cccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1O ZINC000073666600 494410219 /nfs/dbraw/zinc/41/02/19/494410219.db2.gz CKLWACJNYRYDQQ-SFHVURJKSA-N 0 3 369.465 3.037 20 10 FGCDHN COCCCNC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092361874 494607341 /nfs/dbraw/zinc/60/73/41/494607341.db2.gz AEUFVINCVIDGDC-UHFFFAOYSA-N 0 3 373.541 3.042 20 10 FGCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3c[nH]c4ncccc34)CC1)OCO2 ZINC000091955517 494734052 /nfs/dbraw/zinc/73/40/52/494734052.db2.gz KCBPHRFUBYOSMR-UHFFFAOYSA-N 0 3 351.406 3.377 20 10 FGCDHN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000122788092 495031373 /nfs/dbraw/zinc/03/13/73/495031373.db2.gz CVRMUWFGJNDYEM-OAHLLOKOSA-N 0 3 371.481 3.277 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(NC(=O)C3CCOCC3)CC2)cc1 ZINC000120102141 495307334 /nfs/dbraw/zinc/30/73/34/495307334.db2.gz YQSDBUXMGFTSAV-UHFFFAOYSA-N 0 3 373.541 3.040 20 10 FGCDHN O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000154527199 495643963 /nfs/dbraw/zinc/64/39/63/495643963.db2.gz IXACIHAYZDJLSU-QUCCMNQESA-N 0 3 372.421 3.015 20 10 FGCDHN O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000154527199 495643968 /nfs/dbraw/zinc/64/39/68/495643968.db2.gz IXACIHAYZDJLSU-QUCCMNQESA-N 0 3 372.421 3.015 20 10 FGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc(OC)ccc1O ZINC000186164407 495879944 /nfs/dbraw/zinc/87/99/44/495879944.db2.gz LFQBREOWPUBDLR-HUUCEWRRSA-N 0 3 363.479 3.304 20 10 FGCDHN COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161366826 496161046 /nfs/dbraw/zinc/16/10/46/496161046.db2.gz AUXDXKSKUXKVKB-BTYIYWSLSA-N 0 3 374.456 3.055 20 10 FGCDHN Cc1nn(C)cc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000162976005 496444031 /nfs/dbraw/zinc/44/40/31/496444031.db2.gz QVGGIVGLXKKUOO-HNNXBMFYSA-N 0 3 350.413 3.089 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000184965112 496602835 /nfs/dbraw/zinc/60/28/35/496602835.db2.gz NVQGDNFBTDKHMY-QGZVFWFLSA-N 0 3 367.493 3.454 20 10 FGCDHN CC[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000185273594 496722262 /nfs/dbraw/zinc/72/22/62/496722262.db2.gz CUBLRXCQXVIZIK-HXUWFJFHSA-N 0 3 372.488 3.364 20 10 FGCDHN COCCCN1CCC([NH2+][C@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185314241 496727876 /nfs/dbraw/zinc/72/78/76/496727876.db2.gz WEYMZOPZEZFMJD-CYBMUJFWSA-N 0 3 371.319 3.306 20 10 FGCDHN COCCCN1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185314704 496728299 /nfs/dbraw/zinc/72/82/99/496728299.db2.gz QHMNICVDWRUENA-CYBMUJFWSA-N 0 3 371.319 3.306 20 10 FGCDHN Cc1ccc([C@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)c(O)c1C ZINC000273407082 496796864 /nfs/dbraw/zinc/79/68/64/496796864.db2.gz OREWWUMPGTXHSL-KRWDZBQOSA-N 0 3 368.477 3.332 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1 ZINC000189101841 497009192 /nfs/dbraw/zinc/00/91/92/497009192.db2.gz WJOISHOLTURTCV-DNVCBOLYSA-N 0 3 354.450 3.161 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270209509 497077791 /nfs/dbraw/zinc/07/77/91/497077791.db2.gz ZXFKBWNJOYAKRX-QUCCMNQESA-N 0 3 366.465 3.459 20 10 FGCDHN COc1c([O-])c(C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475949 497127723 /nfs/dbraw/zinc/12/77/23/497127723.db2.gz ILYUSQKICNGRMP-UKRRQHHQSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1c([O-])c(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475949 497127729 /nfs/dbraw/zinc/12/77/29/497127729.db2.gz ILYUSQKICNGRMP-UKRRQHHQSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1c([O-])c(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475949 497127734 /nfs/dbraw/zinc/12/77/34/497127734.db2.gz ILYUSQKICNGRMP-UKRRQHHQSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)N2CCCCC2)cc1 ZINC000237487607 497244633 /nfs/dbraw/zinc/24/46/33/497244633.db2.gz SCNDFTVWWBKIBF-OAQYLSRUSA-N 0 3 367.493 3.163 20 10 FGCDHN COc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000272646228 497689567 /nfs/dbraw/zinc/68/95/67/497689567.db2.gz PAGHTWQVKRZXAP-UONOGXRCSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000272646228 497689568 /nfs/dbraw/zinc/68/95/68/497689568.db2.gz PAGHTWQVKRZXAP-UONOGXRCSA-N 0 3 350.459 3.136 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](c1ccc3c(c1)OCCO3)C1CC1)OCO2 ZINC000263666362 497807142 /nfs/dbraw/zinc/80/71/42/497807142.db2.gz IPUGCFNRGJZJGR-HXUWFJFHSA-N 0 3 355.390 3.133 20 10 FGCDHN O=C(Nc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1)[C@H]1CCCO1 ZINC000296192975 497951511 /nfs/dbraw/zinc/95/15/11/497951511.db2.gz YRJASTGONKIZSE-IEBWSBKVSA-N 0 3 352.434 3.287 20 10 FGCDHN CCOCc1cc(CNCc2cccc(N3CCOCC3)c2)ccc1OC ZINC000292844177 498167723 /nfs/dbraw/zinc/16/77/23/498167723.db2.gz BIZINXWOSLRZHB-UHFFFAOYSA-N 0 3 370.493 3.358 20 10 FGCDHN C[C@H](N[C@H]1C[C@H](CO)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000364938628 498219680 /nfs/dbraw/zinc/21/96/80/498219680.db2.gz JRUAFCFIPPGLLJ-CECAUBDESA-N 0 3 352.478 3.395 20 10 FGCDHN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2c([O-])ccc3ccccc32)C1 ZINC000362020045 498453902 /nfs/dbraw/zinc/45/39/02/498453902.db2.gz GKLVGNNSQRUFDY-INIZCTEOSA-N 0 3 361.445 3.013 20 10 FGCDHN COCCOC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000294718207 498782562 /nfs/dbraw/zinc/78/25/62/498782562.db2.gz FFZRWMHJJZOTPX-UHFFFAOYSA-N 0 3 371.477 3.361 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000363868294 499031690 /nfs/dbraw/zinc/03/16/90/499031690.db2.gz RJBQTKINVQMKIT-DNVCBOLYSA-N 0 3 365.477 3.231 20 10 FGCDHN C[C@H]1[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)CCS1(=O)=O ZINC000295608276 499062118 /nfs/dbraw/zinc/06/21/18/499062118.db2.gz DOKKPFNFLKHQAD-KSSFIOAISA-N 0 3 364.536 3.050 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c([O-])c1 ZINC000367343621 499184905 /nfs/dbraw/zinc/18/49/05/499184905.db2.gz NURJOOYLNUIZNS-MRXNPFEDSA-N 0 3 372.465 3.416 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c([O-])c1 ZINC000367343621 499184907 /nfs/dbraw/zinc/18/49/07/499184907.db2.gz NURJOOYLNUIZNS-MRXNPFEDSA-N 0 3 372.465 3.416 20 10 FGCDHN COc1ccc(N2CCCN(C(=O)[C@@H](C)[C@H](N)c3ccccc3)CC2)cc1 ZINC000370764098 499252545 /nfs/dbraw/zinc/25/25/45/499252545.db2.gz VMNUANDJURMJGM-UWJYYQICSA-N 0 3 367.493 3.070 20 10 FGCDHN CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c([O-])c1 ZINC000370769663 499252901 /nfs/dbraw/zinc/25/29/01/499252901.db2.gz CUEFQPCFVHHYJZ-UHFFFAOYSA-N 0 3 372.465 3.477 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000368329076 499285864 /nfs/dbraw/zinc/28/58/64/499285864.db2.gz CBXJFZSYPVEBFM-OAHLLOKOSA-N 0 3 354.450 3.362 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371332537 499311399 /nfs/dbraw/zinc/31/13/99/499311399.db2.gz QHWUTXDIMHFRBD-VXGBXAGGSA-N 0 3 356.260 3.022 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371332537 499311400 /nfs/dbraw/zinc/31/14/00/499311400.db2.gz QHWUTXDIMHFRBD-VXGBXAGGSA-N 0 3 356.260 3.022 20 10 FGCDHN CN1CCN(C[C@@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000368595655 499312059 /nfs/dbraw/zinc/31/20/59/499312059.db2.gz XRAZZBRKXITPOT-SFHVURJKSA-N 0 3 353.510 3.005 20 10 FGCDHN CN1CCN(C[C@@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000368595655 499312062 /nfs/dbraw/zinc/31/20/62/499312062.db2.gz XRAZZBRKXITPOT-SFHVURJKSA-N 0 3 353.510 3.005 20 10 FGCDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336664 499312479 /nfs/dbraw/zinc/31/24/79/499312479.db2.gz QGRGREHENGLGAN-HSZRJFAPSA-N 0 3 370.585 3.277 20 10 FGCDHN COc1cc([O-])c(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1OC ZINC000371360196 499315263 /nfs/dbraw/zinc/31/52/63/499315263.db2.gz DDJSNUDMRBXKER-UHFFFAOYSA-N 0 3 355.434 3.431 20 10 FGCDHN COc1cc(O)c(CN2CCC3(CC2)OCc2ccccc23)cc1OC ZINC000371360196 499315264 /nfs/dbraw/zinc/31/52/64/499315264.db2.gz DDJSNUDMRBXKER-UHFFFAOYSA-N 0 3 355.434 3.431 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1[O-] ZINC000368654958 499317933 /nfs/dbraw/zinc/31/79/33/499317933.db2.gz FIRZWXVSDKXIKM-INIZCTEOSA-N 0 3 366.465 3.288 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1[O-] ZINC000368654958 499317934 /nfs/dbraw/zinc/31/79/34/499317934.db2.gz FIRZWXVSDKXIKM-INIZCTEOSA-N 0 3 366.465 3.288 20 10 FGCDHN COc1cccc(C(=O)NC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)c1 ZINC000371397271 499321010 /nfs/dbraw/zinc/32/10/10/499321010.db2.gz ZCKJEIARPSVMSY-UHFFFAOYSA-N 0 3 354.450 3.104 20 10 FGCDHN COc1ccc([C@H](C)NCc2ccc3c(c2)CCN3C)cc1NC(C)=O ZINC000368726623 499325708 /nfs/dbraw/zinc/32/57/08/499325708.db2.gz GVUAXIFXNBIQCE-AWEZNQCLSA-N 0 3 353.466 3.497 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000371559015 499341906 /nfs/dbraw/zinc/34/19/06/499341906.db2.gz DTJNGOUGIFSEDZ-GOSISDBHSA-N 0 3 372.509 3.406 20 10 FGCDHN C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(F)ccc1[O-] ZINC000376132839 499585655 /nfs/dbraw/zinc/58/56/55/499585655.db2.gz RTWGHORYQSXZJM-NSHDSACASA-N 0 3 365.836 3.468 20 10 FGCDHN Cc1ccc([C@H](C)NCC(=O)N[C@@H]2CCOc3ccccc32)c(O)c1C ZINC000376573722 499619657 /nfs/dbraw/zinc/61/96/57/499619657.db2.gz HUWPTLXXDAGSPM-MAUKXSAKSA-N 0 3 354.450 3.300 20 10 FGCDHN Cc1cnn(C)c1CNC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000377142646 499665845 /nfs/dbraw/zinc/66/58/45/499665845.db2.gz OZCAMIDOWKEGFV-CQSZACIVSA-N 0 3 368.403 3.243 20 10 FGCDHN CCOc1cccc(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)c1[O-] ZINC000377916552 499747783 /nfs/dbraw/zinc/74/77/83/499747783.db2.gz JNHSIMRPGULLEZ-UHFFFAOYSA-N 0 3 369.509 3.325 20 10 FGCDHN CCOc1cccc(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1[O-] ZINC000377916552 499747785 /nfs/dbraw/zinc/74/77/85/499747785.db2.gz JNHSIMRPGULLEZ-UHFFFAOYSA-N 0 3 369.509 3.325 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000472227396 502276963 /nfs/dbraw/zinc/27/69/63/502276963.db2.gz WDKURNDDSKRQHX-KRWDZBQOSA-N 0 3 354.498 3.257 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000472230198 502278457 /nfs/dbraw/zinc/27/84/57/502278457.db2.gz BJURJSMFRNWHGW-MRXNPFEDSA-N 0 3 356.514 3.358 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)ccc21 ZINC000467030188 502763966 /nfs/dbraw/zinc/76/39/66/502763966.db2.gz DFGFQUNFQVCQMN-XOBRGWDASA-N 0 3 369.509 3.117 20 10 FGCDHN COc1ccc(O)c(CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 ZINC000529666545 504755484 /nfs/dbraw/zinc/75/54/84/504755484.db2.gz UTEAQWFECRQFLP-OAHLLOKOSA-N 0 3 364.804 3.088 20 10 FGCDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(OCC)c1O ZINC000825317973 608547416 /nfs/dbraw/zinc/54/74/16/608547416.db2.gz FSYSFHJTLRJZJG-UHFFFAOYSA-N 0 3 367.453 3.383 20 10 FGCDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(OCC)c1O ZINC000825317973 608547417 /nfs/dbraw/zinc/54/74/17/608547417.db2.gz FSYSFHJTLRJZJG-UHFFFAOYSA-N 0 3 367.453 3.383 20 10 FGCDHN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(OCC)c1O ZINC000825317973 608547418 /nfs/dbraw/zinc/54/74/18/608547418.db2.gz FSYSFHJTLRJZJG-UHFFFAOYSA-N 0 3 367.453 3.383 20 10 FGCDHN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(OCC)c1O ZINC000825317973 608547419 /nfs/dbraw/zinc/54/74/19/608547419.db2.gz FSYSFHJTLRJZJG-UHFFFAOYSA-N 0 3 367.453 3.383 20 10 FGCDHN [O-]c1ccccc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000134230215 704816582 /nfs/dbraw/zinc/81/65/82/704816582.db2.gz TUGSSLNBPOETQR-UHFFFAOYSA-N 0 3 350.212 3.216 20 10 FGCDHN CN(C)CCN(C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000154635964 705043102 /nfs/dbraw/zinc/04/31/02/705043102.db2.gz SQUSVXLIYKARLA-UHFFFAOYSA-N 0 3 356.561 3.141 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1[O-] ZINC000186414118 712718481 /nfs/dbraw/zinc/71/84/81/712718481.db2.gz OILSKFLKYRXNHL-GOSISDBHSA-N 0 3 360.479 3.173 20 10 FGCDHN COc1ccc(N2CCCN(CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000188848313 712778719 /nfs/dbraw/zinc/77/87/19/712778719.db2.gz WFLKVGIJKJUKPZ-UHFFFAOYSA-N 0 3 364.383 3.124 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]CCCn2cc(Br)cn2)c1[O-] ZINC000314837394 713805930 /nfs/dbraw/zinc/80/59/30/713805930.db2.gz SXOLXRJBCRPIEC-UHFFFAOYSA-N 0 3 374.666 3.193 20 10 FGCDHN C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000705923590 722412059 /nfs/dbraw/zinc/41/20/59/722412059.db2.gz PUDCJGFLMRKRJZ-ZDUSSCGKSA-N 0 3 356.438 3.065 20 10 FGCDHN CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000750056302 722753159 /nfs/dbraw/zinc/75/31/59/722753159.db2.gz GSFLZBZRUXPLCM-QGZVFWFLSA-N 0 3 368.905 3.181 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756633225 722968011 /nfs/dbraw/zinc/96/80/11/722968011.db2.gz GMLLHKABJHUHQF-MLGOLLRUSA-N 0 3 363.454 3.414 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2[O-] ZINC000756760737 722969651 /nfs/dbraw/zinc/96/96/51/722969651.db2.gz NIJFTNUOJXSOCD-YUSALJHKSA-N 0 3 360.351 3.223 20 10 FGCDHN Cc1cc(C(=O)CSCCN(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000756919282 722971885 /nfs/dbraw/zinc/97/18/85/722971885.db2.gz IAIVCWOEIBDWIF-UHFFFAOYSA-N 0 3 360.479 3.300 20 10 FGCDHN CCCN(CCC)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000793279667 723420439 /nfs/dbraw/zinc/42/04/39/723420439.db2.gz HEJLHJVEHKYSDC-UHFFFAOYSA-N 0 3 352.544 3.370 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000793609571 723454361 /nfs/dbraw/zinc/45/43/61/723454361.db2.gz OWGSAHTUONABGZ-UONOGXRCSA-N 0 3 356.260 3.307 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000767926717 723640165 /nfs/dbraw/zinc/64/01/65/723640165.db2.gz FOQQSOFXKVSQDT-ZDUSSCGKSA-N 0 3 356.260 3.355 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000769512681 723688279 /nfs/dbraw/zinc/68/82/79/723688279.db2.gz NKRPWOPOYSBCAK-HNNXBMFYSA-N 0 3 350.459 3.280 20 10 FGCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000769512681 723688280 /nfs/dbraw/zinc/68/82/80/723688280.db2.gz NKRPWOPOYSBCAK-HNNXBMFYSA-N 0 3 350.459 3.280 20 10 FGCDHN CCN(C)c1ccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000773843060 723829428 /nfs/dbraw/zinc/82/94/28/723829428.db2.gz ZEDQXOPRXRCGHK-OAHLLOKOSA-N 0 3 361.511 3.365 20 10 FGCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000774398617 723888843 /nfs/dbraw/zinc/88/88/43/723888843.db2.gz YMPRCRNRMUDWNC-JQWIXIFHSA-N 0 3 357.347 3.450 20 10 FGCDHN C[C@H](NCC1([S@@](C)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798004131 723897527 /nfs/dbraw/zinc/89/75/27/723897527.db2.gz KARPXJKUFNQVHF-LFPIHBKWSA-N 0 3 370.946 3.128 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000776178057 724116217 /nfs/dbraw/zinc/11/62/17/724116217.db2.gz ZQIAVKUSTMEDLR-HNNXBMFYSA-N 0 3 369.303 3.200 20 10 FGCDHN COc1ccc(N2CCN(C[C@@H](O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000805734784 725090431 /nfs/dbraw/zinc/09/04/31/725090431.db2.gz VMUDKUCGDNTNKZ-IBGZPJMESA-N 0 3 360.885 3.074 20 10 FGCDHN CCOc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000809770524 725267065 /nfs/dbraw/zinc/26/70/65/725267065.db2.gz BRTCSNTXFDPADF-BBRMVZONSA-N 0 3 350.459 3.278 20 10 FGCDHN CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815559401 727083945 /nfs/dbraw/zinc/08/39/45/727083945.db2.gz FZCJGGLNMSKOSR-KBPBESRZSA-N 0 3 359.436 3.088 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000816630749 727182328 /nfs/dbraw/zinc/18/23/28/727182328.db2.gz QIESOFMLPQXQHI-AWEZNQCLSA-N 0 3 356.260 3.043 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000816630749 727182329 /nfs/dbraw/zinc/18/23/29/727182329.db2.gz QIESOFMLPQXQHI-AWEZNQCLSA-N 0 3 356.260 3.043 20 10 FGCDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C(C)(C)C)C1=O ZINC000822659007 729206277 /nfs/dbraw/zinc/20/62/77/729206277.db2.gz IRYZOOAPINQIIT-AWEZNQCLSA-N 0 3 369.303 3.376 20 10 FGCDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C(C)(C)C)C1=O ZINC000822659007 729206280 /nfs/dbraw/zinc/20/62/80/729206280.db2.gz IRYZOOAPINQIIT-AWEZNQCLSA-N 0 3 369.303 3.376 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CNC[C@H]2CCCS2(=O)=O)cc1 ZINC000824023042 729316541 /nfs/dbraw/zinc/31/65/41/729316541.db2.gz GUFRHZQBMWTREG-GOSISDBHSA-N 0 3 364.536 3.051 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]CCn2cc(Br)ccc2=O)c1[O-] ZINC000824543566 729346566 /nfs/dbraw/zinc/34/65/66/729346566.db2.gz LHARJNQLGZHXCS-UHFFFAOYSA-N 0 3 371.662 3.068 20 10 FGCDHN Cc1cc(Br)cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124811 729372078 /nfs/dbraw/zinc/37/20/78/729372078.db2.gz YRMCJJWLQHVPRL-RNCFNFMXSA-N 0 3 368.193 3.208 20 10 FGCDHN C[NH+](C)CCN(Cc1ccccn1)Cc1ccc(Br)cc1[O-] ZINC000825917127 729399281 /nfs/dbraw/zinc/39/92/81/729399281.db2.gz WQZWZCZUHQEOKI-UHFFFAOYSA-N 0 3 364.287 3.114 20 10 FGCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)CC2 ZINC000834783113 729834021 /nfs/dbraw/zinc/83/40/21/729834021.db2.gz CSGKMJNWCNKSOG-WBMJQRKESA-N 0 3 351.368 3.238 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000834915104 729846209 /nfs/dbraw/zinc/84/62/09/729846209.db2.gz PWBCHZZMOSFFTR-LNSITVRQSA-N 0 3 367.287 3.267 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1[O-] ZINC000846210677 730936794 /nfs/dbraw/zinc/93/67/94/730936794.db2.gz BHZBYDYVOFZZTB-LRDDRELGSA-N 0 3 358.276 3.045 20 10 FGCDHN CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848513875 731173844 /nfs/dbraw/zinc/17/38/44/731173844.db2.gz HWJMCIXNKQTNCQ-DGCLKSJQSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)c1[O-] ZINC000848517934 731174244 /nfs/dbraw/zinc/17/42/44/731174244.db2.gz HSJTVKPCSWGYSM-MNOVXSKESA-N 0 3 354.248 3.099 20 10 FGCDHN CCc1nc([C@@H](C)N[C@H](C)c2cc(Br)cc(OC)c2O)n[nH]1 ZINC000848534996 731177217 /nfs/dbraw/zinc/17/72/17/731177217.db2.gz AALQVUZAPFFKLU-RKDXNWHRSA-N 0 3 369.263 3.256 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1[O-] ZINC000848535791 731177635 /nfs/dbraw/zinc/17/76/35/731177635.db2.gz GWWWOMVRSABORY-APPZFPTMSA-N 0 3 372.181 3.127 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000848554173 731181003 /nfs/dbraw/zinc/18/10/03/731181003.db2.gz QSUDFQUFJMGFOJ-GHMZBOCLSA-N 0 3 368.275 3.179 20 10 FGCDHN CCCC[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1[O-] ZINC000852018724 731533402 /nfs/dbraw/zinc/53/34/02/731533402.db2.gz PVLIPDDAOTVRIJ-UHFFFAOYSA-N 0 3 362.495 3.103 20 10 FGCDHN CCCC[N@@H+](Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1[O-] ZINC000852018724 731533404 /nfs/dbraw/zinc/53/34/04/731533404.db2.gz PVLIPDDAOTVRIJ-UHFFFAOYSA-N 0 3 362.495 3.103 20 10 FGCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1COCCO1 ZINC000853558284 731722785 /nfs/dbraw/zinc/72/27/85/731722785.db2.gz GNBHNLCVTCEOOT-AWEZNQCLSA-N 0 3 366.255 3.155 20 10 FGCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1COCCO1 ZINC000853558284 731722787 /nfs/dbraw/zinc/72/27/87/731722787.db2.gz GNBHNLCVTCEOOT-AWEZNQCLSA-N 0 3 366.255 3.155 20 10 FGCDHN CC(C)OCCN1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858147939 732186134 /nfs/dbraw/zinc/18/61/34/732186134.db2.gz DZTKUGHXCOTFGO-UHFFFAOYSA-N 0 3 371.319 3.134 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602526 732230643 /nfs/dbraw/zinc/23/06/43/732230643.db2.gz AWBMREGVISKLCS-NHYWBVRUSA-N 0 3 367.287 3.267 20 10 FGCDHN C[NH+](C)CCN(Cc1ccccn1)Cc1c([O-])cccc1Br ZINC000862367717 732817212 /nfs/dbraw/zinc/81/72/12/732817212.db2.gz SKBBGSSLUHHLBU-UHFFFAOYSA-N 0 3 364.287 3.114 20 10 FGCDHN COc1cc(Br)cc(CN2CCC(C(C)(C)O)CC2)c1O ZINC000877753676 736714667 /nfs/dbraw/zinc/71/46/67/736714667.db2.gz JSTHMRRFWMLRMK-UHFFFAOYSA-N 0 3 358.276 3.146 20 10 FGCDHN C[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1[O-] ZINC000879651019 737023754 /nfs/dbraw/zinc/02/37/54/737023754.db2.gz DUZDVHLLRIWXPE-ZDUSSCGKSA-N 0 3 355.463 3.011 20 10 FGCDHN COc1ccc(CN[C@H](C)c2ccc(Br)cn2)c(O)c1OC ZINC000894169524 742247986 /nfs/dbraw/zinc/24/79/86/742247986.db2.gz LLNQBJWCRBIHOA-SNVBAGLBSA-N 0 3 367.243 3.418 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895847876 742462560 /nfs/dbraw/zinc/46/25/60/742462560.db2.gz WWBIOKYRBYGRGX-BXUZGUMPSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895847876 742462564 /nfs/dbraw/zinc/46/25/64/742462564.db2.gz WWBIOKYRBYGRGX-BXUZGUMPSA-N 0 3 356.260 3.164 20 10 FGCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779040841 724383760 /nfs/dbraw/zinc/38/37/60/724383760.db2.gz MAIBTZQGIFLHPO-QKCSRTOESA-N 0 3 355.276 3.028 20 10 FGCDHN CCN1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000043292691 494284484 /nfs/dbraw/zinc/28/44/84/494284484.db2.gz XNWIRKJUFCVWRJ-UHFFFAOYSA-N 0 3 358.530 3.303 20 10 FGCDHN O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179890212 495772286 /nfs/dbraw/zinc/77/22/86/495772286.db2.gz HSGVNTFAWPRSBO-UHFFFAOYSA-N 0 3 372.396 3.111 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1 ZINC000186032269 495828420 /nfs/dbraw/zinc/82/84/20/495828420.db2.gz FXLQZCDKCLOELQ-HNNXBMFYSA-N 0 3 360.479 3.091 20 10 FGCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000155290483 495906581 /nfs/dbraw/zinc/90/65/81/495906581.db2.gz TYUANKRGZNFXQA-MRXNPFEDSA-N 0 3 359.493 3.035 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1[O-] ZINC000186412170 495988843 /nfs/dbraw/zinc/98/88/43/495988843.db2.gz DCUWFVHIJYPCAT-SFHVURJKSA-N 0 3 360.479 3.173 20 10 FGCDHN CSc1nnc(CCC[NH2+]Cc2cc(F)ccc2[O-])n1CC(C)C ZINC000180715699 496116111 /nfs/dbraw/zinc/11/61/11/496116111.db2.gz WONNMJIFSIRKCG-UHFFFAOYSA-N 0 3 352.479 3.223 20 10 FGCDHN Cc1nn(C)cc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000162975896 496444186 /nfs/dbraw/zinc/44/41/86/496444186.db2.gz QVGGIVGLXKKUOO-OAHLLOKOSA-N 0 3 350.413 3.089 20 10 FGCDHN C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000185023624 496626789 /nfs/dbraw/zinc/62/67/89/496626789.db2.gz JNSDPVXRCVZQRB-HNNXBMFYSA-N 0 3 352.482 3.381 20 10 FGCDHN C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000185147189 496681377 /nfs/dbraw/zinc/68/13/77/496681377.db2.gz IWFDGTITJTXEAB-INIZCTEOSA-N 0 3 374.456 3.093 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c([O-])c1 ZINC000185178821 496693062 /nfs/dbraw/zinc/69/30/62/496693062.db2.gz CSUNYVZGZJYWIZ-MRXNPFEDSA-N 0 3 374.506 3.336 20 10 FGCDHN COCCCN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185314687 496728201 /nfs/dbraw/zinc/72/82/01/496728201.db2.gz QHMNICVDWRUENA-ZDUSSCGKSA-N 0 3 371.319 3.306 20 10 FGCDHN CC[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000273303105 496767938 /nfs/dbraw/zinc/76/79/38/496767938.db2.gz VCVGGPQXGCSDSE-LEWJYISDSA-N 0 3 366.509 3.380 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000236917742 497167905 /nfs/dbraw/zinc/16/79/05/497167905.db2.gz ZEJQLQSXPZDBEK-RISCZKNCSA-N 0 3 355.276 3.021 20 10 FGCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c([O-])c1 ZINC000275304544 497281193 /nfs/dbraw/zinc/28/11/93/497281193.db2.gz NFRAWTMHQGAKDT-PXNSSMCTSA-N 0 3 359.470 3.151 20 10 FGCDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000275707971 497409605 /nfs/dbraw/zinc/40/96/05/497409605.db2.gz UBLMRHVQFKQMIH-SIKLNZKXSA-N 0 3 373.541 3.072 20 10 FGCDHN COc1ccc([O-])c(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000271738508 497435246 /nfs/dbraw/zinc/43/52/46/497435246.db2.gz POORIJCVWVDFFG-UHFFFAOYSA-N 0 3 354.450 3.137 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000271738508 497435253 /nfs/dbraw/zinc/43/52/53/497435253.db2.gz POORIJCVWVDFFG-UHFFFAOYSA-N 0 3 354.450 3.137 20 10 FGCDHN CCN(Cc1ccc(OC)c(OC)c1)Cc1cc(OC)c(OC)cc1O ZINC000271804973 497456706 /nfs/dbraw/zinc/45/67/06/497456706.db2.gz LZVLOVCNVYMBAH-UHFFFAOYSA-N 0 3 361.438 3.449 20 10 FGCDHN CC(C)[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCN(C)CC1 ZINC000194260808 497617069 /nfs/dbraw/zinc/61/70/69/497617069.db2.gz VBHJTFVHRPCDTQ-UTKZUKDTSA-N 0 3 355.526 3.468 20 10 FGCDHN CCOc1cccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277032971 497721488 /nfs/dbraw/zinc/72/14/88/497721488.db2.gz NZKYDJYZMHTDAK-UHFFFAOYSA-N 0 3 369.870 3.138 20 10 FGCDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000272794144 497732473 /nfs/dbraw/zinc/73/24/73/497732473.db2.gz YENRPGGKBKPKGI-INIZCTEOSA-N 0 3 353.466 3.332 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@@H]3CCc4cccc([O-])c43)CC2)c1 ZINC000296288519 497986872 /nfs/dbraw/zinc/98/68/72/497986872.db2.gz FHXKACPJVVIRSE-QGZVFWFLSA-N 0 3 355.438 3.090 20 10 FGCDHN COc1cccc(CN[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1O ZINC000293210797 498307615 /nfs/dbraw/zinc/30/76/15/498307615.db2.gz YGMVNTBDFIQWQX-KDOFPFPSSA-N 0 3 372.440 3.382 20 10 FGCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1OC ZINC000290099267 498428903 /nfs/dbraw/zinc/42/89/03/498428903.db2.gz HWFLDHDBIAADOU-BTYIYWSLSA-N 0 3 359.466 3.362 20 10 FGCDHN COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1OC ZINC000290178950 498453698 /nfs/dbraw/zinc/45/36/98/498453698.db2.gz NJBHDOMXRRGJHS-QVKFZJNVSA-N 0 3 359.466 3.362 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294713542 498780392 /nfs/dbraw/zinc/78/03/92/498780392.db2.gz WADYGTRAMVGEOX-UHFFFAOYSA-N 0 3 366.461 3.226 20 10 FGCDHN CCOc1ccc(O)c(CN[C@H](C)c2ccc(S(=O)(=O)CC)cc2)c1 ZINC000283942175 499016950 /nfs/dbraw/zinc/01/69/50/499016950.db2.gz JTEAGIWRJWSHTH-CQSZACIVSA-N 0 3 363.479 3.435 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000372497483 499134741 /nfs/dbraw/zinc/13/47/41/499134741.db2.gz QGVOAZOZNNAPDP-GXFFZTMASA-N 0 3 350.260 3.394 20 10 FGCDHN CCN1CCC[C@@H](C[N@H+](C)Cc2cccc(C)c2[O-])[C@@H]1c1cnn(C)c1 ZINC000372537765 499142740 /nfs/dbraw/zinc/14/27/40/499142740.db2.gz CQGBNGVXIZUDNT-FXAWDEMLSA-N 0 3 356.514 3.339 20 10 FGCDHN CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc(C)c2[O-])[C@@H]1c1cnn(C)c1 ZINC000372537765 499142741 /nfs/dbraw/zinc/14/27/41/499142741.db2.gz CQGBNGVXIZUDNT-FXAWDEMLSA-N 0 3 356.514 3.339 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000369910976 499150705 /nfs/dbraw/zinc/15/07/05/499150705.db2.gz WPORSPUQHLUPFA-IOHHAYIISA-N 0 3 360.479 3.475 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)cc1OC ZINC000367221323 499163697 /nfs/dbraw/zinc/16/36/97/499163697.db2.gz IGRFZGCLXKCFQL-MRXNPFEDSA-N 0 3 359.470 3.394 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)cc1OC ZINC000367221323 499163699 /nfs/dbraw/zinc/16/36/99/499163699.db2.gz IGRFZGCLXKCFQL-MRXNPFEDSA-N 0 3 359.470 3.394 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000372925825 499195472 /nfs/dbraw/zinc/19/54/72/499195472.db2.gz KTCBMYSAVHAZAN-IBGZPJMESA-N 0 3 374.506 3.286 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000367841947 499237337 /nfs/dbraw/zinc/23/73/37/499237337.db2.gz VTIREHSKOADDOB-QGZVFWFLSA-N 0 3 362.470 3.280 20 10 FGCDHN CCc1nccc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000372442838 499435294 /nfs/dbraw/zinc/43/52/94/499435294.db2.gz ZYEBTBLDDWSJNV-IBGZPJMESA-N 0 3 366.509 3.255 20 10 FGCDHN COCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000373120788 499452437 /nfs/dbraw/zinc/45/24/37/499452437.db2.gz HRAOYQFLVDMBIK-LJQANCHMSA-N 0 3 360.498 3.022 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608678 499479580 /nfs/dbraw/zinc/47/95/80/499479580.db2.gz LKFBIHAXUZEYCX-CHWSQXEVSA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608678 499479581 /nfs/dbraw/zinc/47/95/81/499479581.db2.gz LKFBIHAXUZEYCX-CHWSQXEVSA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608678 499479582 /nfs/dbraw/zinc/47/95/82/499479582.db2.gz LKFBIHAXUZEYCX-CHWSQXEVSA-N 0 3 361.467 3.269 20 10 FGCDHN O=C1NC[C@@]2(CCCN(Cc3ccc(OCc4ccccc4)cc3O)C2)O1 ZINC000375558634 499532247 /nfs/dbraw/zinc/53/22/47/499532247.db2.gz RWWLYTSOJHWCHO-OAQYLSRUSA-N 0 3 368.433 3.046 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000377230452 499672168 /nfs/dbraw/zinc/67/21/68/499672168.db2.gz BGZMSFISLYVUGW-INIZCTEOSA-N 0 3 356.376 3.034 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1[O-] ZINC000377757155 499729347 /nfs/dbraw/zinc/72/93/47/499729347.db2.gz UHUOUBKDTVZDTL-YPMHNXCESA-N 0 3 350.260 3.476 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000377757155 499729346 /nfs/dbraw/zinc/72/93/46/499729346.db2.gz UHUOUBKDTVZDTL-YPMHNXCESA-N 0 3 350.260 3.476 20 10 FGCDHN Cc1c2ccccc2n(C)c1CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000481572411 501818339 /nfs/dbraw/zinc/81/83/39/501818339.db2.gz QUSUFZPLMVZGLN-QGZVFWFLSA-N 0 3 355.869 3.326 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000490406604 503168788 /nfs/dbraw/zinc/16/87/88/503168788.db2.gz HJGKAJOIQAZDPE-GQIGUUNPSA-N 0 3 368.525 3.358 20 10 FGCDHN COC[C@]1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])COc2ccccc2C1 ZINC000529668054 504755840 /nfs/dbraw/zinc/75/58/40/504755840.db2.gz HCLXKJAGUXIWPI-IBGZPJMESA-N 0 3 363.841 3.164 20 10 FGCDHN COc1cccc(CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000092585999 700437763 /nfs/dbraw/zinc/43/77/63/700437763.db2.gz IZGRVEPMIRAJOT-OAHLLOKOSA-N 0 3 350.459 3.280 20 10 FGCDHN CC(C)CCO[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093476156 700451556 /nfs/dbraw/zinc/45/15/56/700451556.db2.gz MRFCFOYDYLEAEH-GOSISDBHSA-N 0 3 350.478 3.299 20 10 FGCDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000131428659 700815183 /nfs/dbraw/zinc/81/51/83/700815183.db2.gz GCWQJJDBPLZCIP-GJZGRUSLSA-N 0 3 350.459 3.326 20 10 FGCDHN CCOc1cccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000171128997 705375253 /nfs/dbraw/zinc/37/52/53/705375253.db2.gz MPACAKXBNKOYBH-UHFFFAOYSA-N 0 3 369.870 3.008 20 10 FGCDHN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000178201352 705658436 /nfs/dbraw/zinc/65/84/36/705658436.db2.gz LPEAVANJJKHYGG-NSHDSACASA-N 0 3 351.372 3.459 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCSc3ccccc32)c1 ZINC000182362704 705837330 /nfs/dbraw/zinc/83/73/30/705837330.db2.gz XNPJMOPQLLGAAV-ZDUSSCGKSA-N 0 3 358.463 3.190 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1[O-] ZINC000779060078 724385580 /nfs/dbraw/zinc/38/55/80/724385580.db2.gz CWHNGADHQAQQDV-DGCLKSJQSA-N 0 3 350.260 3.325 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000185855942 712703489 /nfs/dbraw/zinc/70/34/89/712703489.db2.gz HKCUOAINOSWBNT-ZYHUDNBSSA-N 0 3 350.340 3.266 20 10 FGCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732797007 722488657 /nfs/dbraw/zinc/48/86/57/722488657.db2.gz DNZKOLJSCHSBDO-HNNXBMFYSA-N 0 3 352.356 3.140 20 10 FGCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732797007 722488658 /nfs/dbraw/zinc/48/86/58/722488658.db2.gz DNZKOLJSCHSBDO-HNNXBMFYSA-N 0 3 352.356 3.140 20 10 FGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735744693 722519088 /nfs/dbraw/zinc/51/90/88/722519088.db2.gz WIDWUWZRSYEMQZ-MRXNPFEDSA-N 0 3 357.420 3.126 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c2c1c(F)ccc2[O-] ZINC000756743840 722969464 /nfs/dbraw/zinc/96/94/64/722969464.db2.gz WWAJZXILGGFXEI-IAQYHMDHSA-N 0 3 361.438 3.199 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000761202771 723132782 /nfs/dbraw/zinc/13/27/82/723132782.db2.gz LMNGGFSTNMMTMS-UHFFFAOYSA-N 0 3 358.866 3.401 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000761202771 723132784 /nfs/dbraw/zinc/13/27/84/723132784.db2.gz LMNGGFSTNMMTMS-UHFFFAOYSA-N 0 3 358.866 3.401 20 10 FGCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@@]12CCCO2 ZINC000761225603 723134775 /nfs/dbraw/zinc/13/47/75/723134775.db2.gz JWMRAVDERDMFHO-UXLLHSPISA-N 0 3 370.287 3.279 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000764772269 723444188 /nfs/dbraw/zinc/44/41/88/723444188.db2.gz ZWKSWASMSXAKSO-HNNXBMFYSA-N 0 3 361.511 3.365 20 10 FGCDHN CS[C@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@H]1N(C)C ZINC000765268537 723500067 /nfs/dbraw/zinc/50/00/67/723500067.db2.gz JUSZYRBWUIYMLQ-CVEARBPZSA-N 0 3 363.552 3.273 20 10 FGCDHN COc1cccc(CN[C@@](C)(CO)c2ccc(Br)cc2)c1O ZINC000796468425 723638842 /nfs/dbraw/zinc/63/88/42/723638842.db2.gz CYLNXNHGTOTSSQ-KRWDZBQOSA-N 0 3 366.255 3.161 20 10 FGCDHN C[N@H+](CCCOc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440953 723657766 /nfs/dbraw/zinc/65/77/66/723657766.db2.gz BMGPLOLEUHBBRQ-GOSISDBHSA-N 0 3 363.841 3.372 20 10 FGCDHN C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440953 723657767 /nfs/dbraw/zinc/65/77/67/723657767.db2.gz BMGPLOLEUHBBRQ-GOSISDBHSA-N 0 3 363.841 3.372 20 10 FGCDHN Cc1ccc([C@H]2CSCCN2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768445846 723657927 /nfs/dbraw/zinc/65/79/27/723657927.db2.gz JSTKHUCORZYGCV-MJGOQNOKSA-N 0 3 357.475 3.417 20 10 FGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCCN1CC ZINC000769289307 723681543 /nfs/dbraw/zinc/68/15/43/723681543.db2.gz DHMDXAFAAMWTMI-HNNXBMFYSA-N 0 3 369.303 3.378 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000769541816 723689337 /nfs/dbraw/zinc/68/93/37/723689337.db2.gz VZGQUGXJAGMDKW-AWEZNQCLSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000769541816 723689338 /nfs/dbraw/zinc/68/93/38/723689338.db2.gz VZGQUGXJAGMDKW-AWEZNQCLSA-N 0 3 350.459 3.232 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000769556666 723689706 /nfs/dbraw/zinc/68/97/06/723689706.db2.gz QHKWDYFWKKTHCD-LLVKDONJSA-N 0 3 373.291 3.466 20 10 FGCDHN COc1cccc(O)c1CN[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000773408167 723784173 /nfs/dbraw/zinc/78/41/73/723784173.db2.gz GDWVWXDRNYCXKA-NSHDSACASA-N 0 3 364.804 3.088 20 10 FGCDHN C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000774398613 723888896 /nfs/dbraw/zinc/88/88/96/723888896.db2.gz YMPRCRNRMUDWNC-CMPLNLGQSA-N 0 3 357.347 3.450 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(CC(C)C)CC(F)(F)F)c1 ZINC000775373083 723986096 /nfs/dbraw/zinc/98/60/96/723986096.db2.gz MGNGOCJQODWRKC-LBPRGKRZSA-N 0 3 362.392 3.098 20 10 FGCDHN Cc1cc(Br)cc(CN(C)Cc2cccc(C(N)=O)c2)c1O ZINC000775657981 724017466 /nfs/dbraw/zinc/01/74/66/724017466.db2.gz JSSBEBXCRGGHFK-UHFFFAOYSA-N 0 3 363.255 3.194 20 10 FGCDHN Cc1cc(Br)cc(CN2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000775727774 724031675 /nfs/dbraw/zinc/03/16/75/724031675.db2.gz YGOGMSNNFXAZHC-MRXNPFEDSA-N 0 3 370.287 3.233 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000784682795 724872191 /nfs/dbraw/zinc/87/21/91/724872191.db2.gz MFZRXEMBBDRMAT-HOTGVXAUSA-N 0 3 356.260 3.211 20 10 FGCDHN Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])c1 ZINC000786579012 724989766 /nfs/dbraw/zinc/98/97/66/724989766.db2.gz MXEZFGMBEVACAX-KRWDZBQOSA-N 0 3 364.283 3.465 20 10 FGCDHN CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706572 725214338 /nfs/dbraw/zinc/21/43/38/725214338.db2.gz NICREHNTRIVILG-RISCZKNCSA-N 0 3 360.907 3.146 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c([O-])c1 ZINC000809720326 725262386 /nfs/dbraw/zinc/26/23/86/725262386.db2.gz DCYWLKXRIYBICQ-MRXNPFEDSA-N 0 3 350.459 3.280 20 10 FGCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c([O-])c1 ZINC000809720326 725262388 /nfs/dbraw/zinc/26/23/88/725262388.db2.gz DCYWLKXRIYBICQ-MRXNPFEDSA-N 0 3 350.459 3.280 20 10 FGCDHN CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217027 725297520 /nfs/dbraw/zinc/29/75/20/725297520.db2.gz VDZHJAMPVQCKSZ-DZKIICNBSA-N 0 3 358.404 3.315 20 10 FGCDHN COc1cc(Br)cc(CN2CCOC[C@H](C3CCC3)C2)c1O ZINC000814178446 726945563 /nfs/dbraw/zinc/94/55/63/726945563.db2.gz PZQGHYNRJYOYHW-CQSZACIVSA-N 0 3 370.287 3.412 20 10 FGCDHN CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1=O ZINC000817589866 727268844 /nfs/dbraw/zinc/26/88/44/727268844.db2.gz QORODCSUUQZFMD-CHWSQXEVSA-N 0 3 369.303 3.372 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1Cl ZINC000825940005 729400116 /nfs/dbraw/zinc/40/01/16/729400116.db2.gz KJLVGQVIBDBXES-CQSZACIVSA-N 0 3 362.857 3.454 20 10 FGCDHN COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)cc1 ZINC000826845511 729416815 /nfs/dbraw/zinc/41/68/15/729416815.db2.gz JVGQVGXKPQDNAD-OAHLLOKOSA-N 0 3 362.857 3.431 20 10 FGCDHN COc1cc(Cl)cc(CN[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000840967111 730198652 /nfs/dbraw/zinc/19/86/52/730198652.db2.gz LFHZTBQJQZOHDK-OAHLLOKOSA-N 0 3 364.804 3.088 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c1[O-] ZINC000840967111 730198654 /nfs/dbraw/zinc/19/86/54/730198654.db2.gz LFHZTBQJQZOHDK-OAHLLOKOSA-N 0 3 364.804 3.088 20 10 FGCDHN [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000841103280 730211841 /nfs/dbraw/zinc/21/18/41/730211841.db2.gz FWMIUHMEJABLOU-GDBMZVCRSA-N 0 3 359.297 3.417 20 10 FGCDHN CN1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@H]1c1ccccc1 ZINC000845082259 730808517 /nfs/dbraw/zinc/80/85/17/730808517.db2.gz VZRSBDNHCNTRAL-FUHWJXTLSA-N 0 3 359.857 3.290 20 10 FGCDHN CC[N@H+](CCCc1cncn1C)Cc1cc(Br)ccc1[O-] ZINC000846809169 730982650 /nfs/dbraw/zinc/98/26/50/730982650.db2.gz XNVUGEMPFAPCFP-UHFFFAOYSA-N 0 3 352.276 3.343 20 10 FGCDHN CC[N@@H+](CCCc1cncn1C)Cc1cc(Br)ccc1[O-] ZINC000846809169 730982652 /nfs/dbraw/zinc/98/26/52/730982652.db2.gz XNVUGEMPFAPCFP-UHFFFAOYSA-N 0 3 352.276 3.343 20 10 FGCDHN CCN(CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])C1CC1 ZINC000848526077 731175271 /nfs/dbraw/zinc/17/52/71/731175271.db2.gz VLPOJGZGCGBYRS-LLVKDONJSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000848531502 731176420 /nfs/dbraw/zinc/17/64/20/731176420.db2.gz PHQDZAQJGWRZKR-NEPJUHHUSA-N 0 3 357.292 3.156 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1[O-] ZINC000848533651 731176734 /nfs/dbraw/zinc/17/67/34/731176734.db2.gz TUQUJTYKZNFQDP-GMXVVIOVSA-N 0 3 374.275 3.008 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCc2nc(C)no2)c1[O-] ZINC000848534117 731176940 /nfs/dbraw/zinc/17/69/40/731176940.db2.gz MWOFMNZGYNVILC-VIFPVBQESA-N 0 3 370.247 3.138 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOCC(F)F)c1[O-] ZINC000848547536 731179402 /nfs/dbraw/zinc/17/94/02/731179402.db2.gz QMEVVSYWQIZNKL-MRVPVSSYSA-N 0 3 354.191 3.096 20 10 FGCDHN CCc1cccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000848894607 731218390 /nfs/dbraw/zinc/21/83/90/731218390.db2.gz LGSXCWZQXMOUJZ-UHFFFAOYSA-N 0 3 353.871 3.172 20 10 FGCDHN O=[N+]([O-])c1cc(CNCCO[C@@H]2CC2(F)F)ccc1N1CCCCC1 ZINC000850365539 731348679 /nfs/dbraw/zinc/34/86/79/731348679.db2.gz JQOWDZZSHILEAY-MRXNPFEDSA-N 0 3 355.385 3.099 20 10 FGCDHN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000858473870 732218287 /nfs/dbraw/zinc/21/82/87/732218287.db2.gz RFAPKTXMEMIDGY-MFKMUULPSA-N 0 3 354.244 3.376 20 10 FGCDHN [O-]c1cccc(Br)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000862248004 732797931 /nfs/dbraw/zinc/79/79/31/732797931.db2.gz GLBAQHZEBBYVTP-AWEZNQCLSA-N 0 3 353.304 3.463 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000862512767 732842343 /nfs/dbraw/zinc/84/23/43/732842343.db2.gz HLIFOUAPKXNXCW-OAHLLOKOSA-N 0 3 370.877 3.080 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000865791391 733270608 /nfs/dbraw/zinc/27/06/08/733270608.db2.gz WHVRKDWEZCISML-OTVXOJSOSA-N 0 3 350.459 3.184 20 10 FGCDHN Nc1c(Cl)cccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876965933 736168462 /nfs/dbraw/zinc/16/84/62/736168462.db2.gz NKWSONIRSIAQQZ-UHFFFAOYSA-N 0 3 359.901 3.421 20 10 FGCDHN CC[C@@H](CC(F)(F)F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248345 739885866 /nfs/dbraw/zinc/88/58/66/739885866.db2.gz LQTIWKLDVCLQQW-BBRMVZONSA-N 0 3 359.436 3.450 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(F)F)o2)N(C)C)cc1 ZINC000891247258 739886136 /nfs/dbraw/zinc/88/61/36/739886136.db2.gz SECYMYSJVHMVSD-AWEZNQCLSA-N 0 3 351.397 3.316 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895847878 742462355 /nfs/dbraw/zinc/46/23/55/742462355.db2.gz WWBIOKYRBYGRGX-RISCZKNCSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895847878 742462362 /nfs/dbraw/zinc/46/23/62/742462362.db2.gz WWBIOKYRBYGRGX-RISCZKNCSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000922969246 759043159 /nfs/dbraw/zinc/04/31/59/759043159.db2.gz YWOWJMMPIUGOHX-KGLIPLIRSA-N 0 3 350.459 3.184 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCOC2CCOCC2)c1[O-] ZINC000927075982 759886516 /nfs/dbraw/zinc/88/65/16/759886516.db2.gz ANCUMZGFIGMIAV-NSHDSACASA-N 0 3 374.275 3.010 20 10 FGCDHN O=C(Nc1nncs1)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000054388907 494229019 /nfs/dbraw/zinc/22/90/19/494229019.db2.gz SADMVPGELHXGBB-UHFFFAOYSA-N 0 3 368.462 3.248 20 10 FGCDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000074336994 494521365 /nfs/dbraw/zinc/52/13/65/494521365.db2.gz ZRLYLKOVXDSRQH-MRXNPFEDSA-N 0 3 353.466 3.332 20 10 FGCDHN CCN(Cc1ccccc1)c1ccc(CN2CCCN(C(N)=O)CC2)cc1 ZINC000092753992 494735911 /nfs/dbraw/zinc/73/59/11/494735911.db2.gz ANXAEOXXUMFNEX-UHFFFAOYSA-N 0 3 366.509 3.300 20 10 FGCDHN COc1ccc(O)c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000179933281 495789986 /nfs/dbraw/zinc/78/99/86/495789986.db2.gz JFQPCRUGNGBJKP-UHFFFAOYSA-N 0 3 366.421 3.225 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000179933281 495789991 /nfs/dbraw/zinc/78/99/91/495789991.db2.gz JFQPCRUGNGBJKP-UHFFFAOYSA-N 0 3 366.421 3.225 20 10 FGCDHN Cc1cc(O)c(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174283969 495894023 /nfs/dbraw/zinc/89/40/23/495894023.db2.gz XBAOLLQHIABLNR-HNNXBMFYSA-N 0 3 362.495 3.110 20 10 FGCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174283969 495894026 /nfs/dbraw/zinc/89/40/26/495894026.db2.gz XBAOLLQHIABLNR-HNNXBMFYSA-N 0 3 362.495 3.110 20 10 FGCDHN C[C@H](NCc1ccccc1CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000160442782 495963836 /nfs/dbraw/zinc/96/38/36/495963836.db2.gz CSSKLRBHTCBLBI-SFHVURJKSA-N 0 3 353.510 3.436 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000183428546 495978692 /nfs/dbraw/zinc/97/86/92/495978692.db2.gz BFIDACRQIXTPOT-LSDHHAIUSA-N 0 3 354.450 3.461 20 10 FGCDHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000151881372 495979246 /nfs/dbraw/zinc/97/92/46/495979246.db2.gz XMYSFBDQLBGHQI-LSDHHAIUSA-N 0 3 361.511 3.073 20 10 FGCDHN COc1cccc([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161367237 496161477 /nfs/dbraw/zinc/16/14/77/496161477.db2.gz AUXDXKSKUXKVKB-QVKFZJNVSA-N 0 3 374.456 3.055 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(COC)cc3)c2)CC1 ZINC000184255278 496305412 /nfs/dbraw/zinc/30/54/12/496305412.db2.gz ZTKLIRXAZOONOO-UHFFFAOYSA-N 0 3 353.466 3.227 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)CC1 ZINC000184260967 496308348 /nfs/dbraw/zinc/30/83/48/496308348.db2.gz QTADZJPCFRBSDX-UHFFFAOYSA-N 0 3 368.437 3.297 20 10 FGCDHN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000187307629 496386160 /nfs/dbraw/zinc/38/61/60/496386160.db2.gz FYONBAULTKPBQZ-YPMHNXCESA-N 0 3 355.276 3.125 20 10 FGCDHN CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000185014227 496623409 /nfs/dbraw/zinc/62/34/09/496623409.db2.gz NPELRYZYVSXOCO-CYBMUJFWSA-N 0 3 360.329 3.377 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000273365469 496784625 /nfs/dbraw/zinc/78/46/25/496784625.db2.gz BGLJOIODRSMWKQ-KUHUBIRLSA-N 0 3 351.450 3.190 20 10 FGCDHN C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387931 496790820 /nfs/dbraw/zinc/79/08/20/496790820.db2.gz KAESHYUUTQUEKN-CQSZACIVSA-N 0 3 359.426 3.092 20 10 FGCDHN CC[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268846666 496801413 /nfs/dbraw/zinc/80/14/13/496801413.db2.gz JEOSLZQRGNOYPF-KHYOSLBOSA-N 0 3 360.477 3.414 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000273623277 496856261 /nfs/dbraw/zinc/85/62/61/496856261.db2.gz ZUMRMWLVVCLWCA-KUHUBIRLSA-N 0 3 351.450 3.190 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000188749206 496896695 /nfs/dbraw/zinc/89/66/95/496896695.db2.gz AQQQFXCVQXHEGE-UHFFFAOYSA-N 0 3 366.811 3.418 20 10 FGCDHN CC1CCN([C@H](CNC(=O)Cc2ccc(N)cc2)c2cccs2)CC1 ZINC000236660284 497129042 /nfs/dbraw/zinc/12/90/42/497129042.db2.gz AKNCXCARNRVACB-GOSISDBHSA-N 0 3 357.523 3.462 20 10 FGCDHN CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1[O-] ZINC000274742015 497155841 /nfs/dbraw/zinc/15/58/41/497155841.db2.gz AHXKCYLSXQUFBJ-KDOFPFPSSA-N 0 3 362.495 3.444 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1ccccc1[O-] ZINC000274896970 497193878 /nfs/dbraw/zinc/19/38/78/497193878.db2.gz KKIBJOSHPJVGFE-HXUWFJFHSA-N 0 3 367.493 3.302 20 10 FGCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000274974700 497209014 /nfs/dbraw/zinc/20/90/14/497209014.db2.gz DTDIPDRLCONRBF-CYBMUJFWSA-N 0 3 352.356 3.046 20 10 FGCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000274974700 497209017 /nfs/dbraw/zinc/20/90/17/497209017.db2.gz DTDIPDRLCONRBF-CYBMUJFWSA-N 0 3 352.356 3.046 20 10 FGCDHN COc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)N2CCCCC2)cc1 ZINC000237325399 497220074 /nfs/dbraw/zinc/22/00/74/497220074.db2.gz SCNDFTVWWBKIBF-NRFANRHFSA-N 0 3 367.493 3.163 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1 ZINC000271143037 497272094 /nfs/dbraw/zinc/27/20/94/497272094.db2.gz BNLVCRSNHDQYFV-UHFFFAOYSA-N 0 3 370.449 3.347 20 10 FGCDHN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1=CCN(C)CC1 ZINC000273024138 497786185 /nfs/dbraw/zinc/78/61/85/497786185.db2.gz UFPOECQMOUNFDF-INIZCTEOSA-N 0 3 356.514 3.077 20 10 FGCDHN COC1CCN(c2ccc(CN3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000295953214 497866668 /nfs/dbraw/zinc/86/66/68/497866668.db2.gz ITXWYSSWNXVRFV-SPEDKVCISA-N 0 3 374.525 3.070 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000364622613 498054916 /nfs/dbraw/zinc/05/49/16/498054916.db2.gz LIWJDPJZVWACQW-HXUWFJFHSA-N 0 3 373.541 3.110 20 10 FGCDHN COc1cccc(CNCc2cc3c(cc2OC(F)F)OCO3)c1O ZINC000289571553 498199117 /nfs/dbraw/zinc/19/91/17/498199117.db2.gz ZRYLRZVSPBDYDL-UHFFFAOYSA-N 0 3 353.321 3.021 20 10 FGCDHN Cn1ccnc1-c1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000360056339 498240916 /nfs/dbraw/zinc/24/09/16/498240916.db2.gz IFDGFGZRYIULMK-UHFFFAOYSA-N 0 3 362.477 3.214 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c([O-])c1 ZINC000365118282 498305277 /nfs/dbraw/zinc/30/52/77/498305277.db2.gz UVEWJKOAHWWMLZ-UHFFFAOYSA-N 0 3 360.414 3.123 20 10 FGCDHN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000289855375 498324721 /nfs/dbraw/zinc/32/47/21/498324721.db2.gz BKPOMWSIRWREDE-QYWGDWMGSA-N 0 3 358.457 3.435 20 10 FGCDHN COc1cc(O)c(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1OC ZINC000293796854 498492170 /nfs/dbraw/zinc/49/21/70/498492170.db2.gz CXYATPDNSQWKOH-HXUWFJFHSA-N 0 3 357.450 3.403 20 10 FGCDHN O=S1(=O)CCC[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000294287614 498645352 /nfs/dbraw/zinc/64/53/52/498645352.db2.gz MQQHLQLCGFJDTN-AZUAARDMSA-N 0 3 373.518 3.481 20 10 FGCDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000287229338 498681129 /nfs/dbraw/zinc/68/11/29/498681129.db2.gz YCROLFGBOYXCNB-IRXDYDNUSA-N 0 3 350.528 3.152 20 10 FGCDHN CC(C)S(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000294408312 498685255 /nfs/dbraw/zinc/68/52/55/498685255.db2.gz SWWRVGPDHCRXOI-LJQANCHMSA-N 0 3 361.507 3.479 20 10 FGCDHN CS(=O)(=O)CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000294832185 498819948 /nfs/dbraw/zinc/81/99/48/498819948.db2.gz REGHGLHTBDBBIQ-LJQANCHMSA-N 0 3 373.518 3.481 20 10 FGCDHN COc1ccc([C@@H](O)C2CC[NH+](Cc3cccc(OC)c3[O-])CC2)cc1 ZINC000291241725 498859336 /nfs/dbraw/zinc/85/93/36/498859336.db2.gz LGNRYWCNHOBZSM-HXUWFJFHSA-N 0 3 357.450 3.355 20 10 FGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363750108 498973644 /nfs/dbraw/zinc/97/36/44/498973644.db2.gz MFZWNFJGROLKLS-LPHOPBHVSA-N 0 3 352.482 3.103 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c([O-])c1 ZINC000363862359 499028904 /nfs/dbraw/zinc/02/89/04/499028904.db2.gz YUCVPFREIZTXOL-HOCLYGCPSA-N 0 3 356.470 3.276 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000366690726 499035268 /nfs/dbraw/zinc/03/52/68/499035268.db2.gz QDCFHMGVUWQBFR-HOTGVXAUSA-N 0 3 352.862 3.030 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000366690726 499035271 /nfs/dbraw/zinc/03/52/71/499035271.db2.gz QDCFHMGVUWQBFR-HOTGVXAUSA-N 0 3 352.862 3.030 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1[O-] ZINC000367068206 499143154 /nfs/dbraw/zinc/14/31/54/499143154.db2.gz PXTZTGHJAOLRSJ-JJMVLAAESA-N 0 3 367.287 3.171 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2ccccc2c1[O-] ZINC000368325403 499285472 /nfs/dbraw/zinc/28/54/72/499285472.db2.gz ADVZACAYDHLHRP-AEFFLSMTSA-N 0 3 353.510 3.365 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1[O-] ZINC000368374236 499290019 /nfs/dbraw/zinc/29/00/19/499290019.db2.gz KDQUINNHLIEPGK-NVXWUHKLSA-N 0 3 356.470 3.358 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799043 499333889 /nfs/dbraw/zinc/33/38/89/499333889.db2.gz UMZYBYHUBKCAPX-HZPDHXFCSA-N 0 3 366.465 3.459 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799043 499333891 /nfs/dbraw/zinc/33/38/91/499333891.db2.gz UMZYBYHUBKCAPX-HZPDHXFCSA-N 0 3 366.465 3.459 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c([O-])c1 ZINC000372391641 499428145 /nfs/dbraw/zinc/42/81/45/499428145.db2.gz FHVVYDPFWPYLBL-UHFFFAOYSA-N 0 3 369.465 3.427 20 10 FGCDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc3c(c2)CCN3C)cc1 ZINC000372423371 499433032 /nfs/dbraw/zinc/43/30/32/499433032.db2.gz XIEWRWWNQRLCGE-OAHLLOKOSA-N 0 3 373.522 3.291 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1[O-] ZINC000373036876 499448188 /nfs/dbraw/zinc/44/81/88/499448188.db2.gz NOJVJXSARZIMOD-AWEZNQCLSA-N 0 3 357.292 3.079 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373536306 499475652 /nfs/dbraw/zinc/47/56/52/499475652.db2.gz VNRIHEHATUGOKG-LJQANCHMSA-N 0 3 358.825 3.150 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373536306 499475653 /nfs/dbraw/zinc/47/56/53/499475653.db2.gz VNRIHEHATUGOKG-LJQANCHMSA-N 0 3 358.825 3.150 20 10 FGCDHN CC[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(C)cc1[O-] ZINC000376572472 499619633 /nfs/dbraw/zinc/61/96/33/499619633.db2.gz SRCHOIVFHJOGGU-MSOLQXFVSA-N 0 3 354.450 3.381 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693047 499720808 /nfs/dbraw/zinc/72/08/08/499720808.db2.gz CGKFDJZKBVSVSJ-YOEHRIQHSA-N 0 3 356.470 3.148 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693047 499720810 /nfs/dbraw/zinc/72/08/10/499720810.db2.gz CGKFDJZKBVSVSJ-YOEHRIQHSA-N 0 3 356.470 3.148 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000377709041 499723769 /nfs/dbraw/zinc/72/37/69/499723769.db2.gz UDMHCXAWQMLOTQ-WJPUGNRLSA-N 0 3 355.482 3.482 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000377709041 499723770 /nfs/dbraw/zinc/72/37/70/499723770.db2.gz UDMHCXAWQMLOTQ-WJPUGNRLSA-N 0 3 355.482 3.482 20 10 FGCDHN [O-]c1c(Cl)cc(Cl)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248088 503894677 /nfs/dbraw/zinc/89/46/77/503894677.db2.gz FQYKWQLFFJBQQB-OAHLLOKOSA-N 0 3 359.297 3.290 20 10 FGCDHN CCS[C@H]1CCCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078650699 700284538 /nfs/dbraw/zinc/28/45/38/700284538.db2.gz NTJMIZHEEOAPGI-IBGZPJMESA-N 0 3 363.571 3.319 20 10 FGCDHN COc1cccc(CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000092585998 700437706 /nfs/dbraw/zinc/43/77/06/700437706.db2.gz IZGRVEPMIRAJOT-HNNXBMFYSA-N 0 3 350.459 3.280 20 10 FGCDHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092665214 700439463 /nfs/dbraw/zinc/43/94/63/700439463.db2.gz OLFPFJREXSLKLW-IYBDPMFKSA-N 0 3 351.922 3.036 20 10 FGCDHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092665214 700439464 /nfs/dbraw/zinc/43/94/64/700439464.db2.gz OLFPFJREXSLKLW-IYBDPMFKSA-N 0 3 351.922 3.036 20 10 FGCDHN Cc1nsc(N2CCC[N@H+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000173408392 705457924 /nfs/dbraw/zinc/45/79/24/705457924.db2.gz NIGBQQDVGWJBAH-UHFFFAOYSA-N 0 3 354.479 3.418 20 10 FGCDHN Cc1nsc(N2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000173408392 705457926 /nfs/dbraw/zinc/45/79/26/705457926.db2.gz NIGBQQDVGWJBAH-UHFFFAOYSA-N 0 3 354.479 3.418 20 10 FGCDHN CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000182918698 705868992 /nfs/dbraw/zinc/86/89/92/705868992.db2.gz MHDVWTDPDLFZOD-FUHWJXTLSA-N 0 3 356.507 3.117 20 10 FGCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCSc2nccs2)cc1 ZINC000185490090 712695536 /nfs/dbraw/zinc/69/55/36/712695536.db2.gz QBNAXWBKCVKLNE-CQSZACIVSA-N 0 3 370.565 3.386 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000775644886 724015083 /nfs/dbraw/zinc/01/50/83/724015083.db2.gz WNRJOSPFJBZLEL-GFCCVEGCSA-N 0 3 368.886 3.194 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000775644886 724015085 /nfs/dbraw/zinc/01/50/85/724015085.db2.gz WNRJOSPFJBZLEL-GFCCVEGCSA-N 0 3 368.886 3.194 20 10 FGCDHN Cc1cccc(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1O ZINC000781919591 724612776 /nfs/dbraw/zinc/61/27/76/724612776.db2.gz FVGLDVSHRHKPQX-SFHVURJKSA-N 0 3 360.479 3.107 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000782547286 724681747 /nfs/dbraw/zinc/68/17/47/724681747.db2.gz PAGBEOFMDFCQGV-ZIAGYGMSSA-N 0 3 350.459 3.326 20 10 FGCDHN COc1cc(C)cc(CN2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000754729757 722945000 /nfs/dbraw/zinc/94/50/00/722945000.db2.gz FTRCCHSHZOYLOF-UHFFFAOYSA-N 0 3 350.459 3.010 20 10 FGCDHN COc1cc(Cl)cc(CN(C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC000761215800 723133718 /nfs/dbraw/zinc/13/37/18/723133718.db2.gz UXXWAWMTGLCBSB-UHFFFAOYSA-N 0 3 358.866 3.353 20 10 FGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@]12CCCO2 ZINC000761225599 723134772 /nfs/dbraw/zinc/13/47/72/723134772.db2.gz JWMRAVDERDMFHO-BFYDXBDKSA-N 0 3 370.287 3.279 20 10 FGCDHN C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000762652749 723267765 /nfs/dbraw/zinc/26/77/65/723267765.db2.gz XZTSYJYANBMDRX-KBPBESRZSA-N 0 3 371.319 3.306 20 10 FGCDHN CC[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765324428 723505761 /nfs/dbraw/zinc/50/57/61/723505761.db2.gz GXCCZRRGVHTMNG-FQEVSTJZSA-N 0 3 360.523 3.408 20 10 FGCDHN CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794807582 723547059 /nfs/dbraw/zinc/54/70/59/723547059.db2.gz ZMIYVQQQTFGXNY-SFHVURJKSA-N 0 3 362.495 3.028 20 10 FGCDHN C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766533636 723579045 /nfs/dbraw/zinc/57/90/45/723579045.db2.gz BSGYWCTYPZISHI-INMHGKMJSA-N 0 3 368.905 3.021 20 10 FGCDHN C[N@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443191 723657748 /nfs/dbraw/zinc/65/77/48/723657748.db2.gz RCQFVNFXIOZTAO-MRXNPFEDSA-N 0 3 364.239 3.213 20 10 FGCDHN C[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768443191 723657749 /nfs/dbraw/zinc/65/77/49/723657749.db2.gz RCQFVNFXIOZTAO-MRXNPFEDSA-N 0 3 364.239 3.213 20 10 FGCDHN CN1C(=O)C[C@@H](NCc2ccc3c(c2)CCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000768652416 723664334 /nfs/dbraw/zinc/66/43/34/723664334.db2.gz PPTGJLCZYWMEBW-XLIONFOSSA-N 0 3 356.853 3.337 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769120895 723677415 /nfs/dbraw/zinc/67/74/15/723677415.db2.gz LPERHBJZCDXBII-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769120895 723677416 /nfs/dbraw/zinc/67/74/16/723677416.db2.gz LPERHBJZCDXBII-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043637 723775230 /nfs/dbraw/zinc/77/52/30/723775230.db2.gz DTJQERZUDPJLFH-RHSMWYFYSA-N 0 3 364.486 3.416 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000775735302 724034589 /nfs/dbraw/zinc/03/45/89/724034589.db2.gz LEZRDYFDDHMFMH-CYBMUJFWSA-N 0 3 364.287 3.261 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000775735302 724034594 /nfs/dbraw/zinc/03/45/94/724034594.db2.gz LEZRDYFDDHMFMH-CYBMUJFWSA-N 0 3 364.287 3.261 20 10 FGCDHN COC(=O)[C@@H]1[C@@H](CN(C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769360 725038014 /nfs/dbraw/zinc/03/80/14/725038014.db2.gz DUTUVNNFWPBBGH-SJORKVTESA-N 0 3 352.425 3.163 20 10 FGCDHN C[C@H](NCCOC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000788979419 725100346 /nfs/dbraw/zinc/10/03/46/725100346.db2.gz FWNPRJNBCAJOSI-NSHDSACASA-N 0 3 352.784 3.364 20 10 FGCDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808712009 725214480 /nfs/dbraw/zinc/21/44/80/725214480.db2.gz YNOYXTAWHOECRJ-BBRMVZONSA-N 0 3 356.894 3.182 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1[O-] ZINC000824846111 729361718 /nfs/dbraw/zinc/36/17/18/729361718.db2.gz PWZBXNOSSVWWDS-GOEBONIOSA-N 0 3 370.287 3.050 20 10 FGCDHN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N2CCOCC2)cc1Cl ZINC000840887531 730188441 /nfs/dbraw/zinc/18/84/41/730188441.db2.gz LCAOVUFXTOVIKA-JLZZUVOBSA-N 0 3 374.859 3.376 20 10 FGCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cc(F)ccc2O)c1 ZINC000840956411 730196807 /nfs/dbraw/zinc/19/68/07/730196807.db2.gz PPGUVXRRZCAUBH-UHFFFAOYSA-N 0 3 357.834 3.268 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752686 730270703 /nfs/dbraw/zinc/27/07/03/730270703.db2.gz VBGRXQCJUVUDNH-KKXDTOCCSA-N 0 3 352.906 3.464 20 10 FGCDHN COc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])ccn1 ZINC000848519098 731174296 /nfs/dbraw/zinc/17/42/96/731174296.db2.gz PFPBWINXCMEIME-JTQLQIEISA-N 0 3 367.243 3.418 20 10 FGCDHN COc1cc(CN[C@@H](C)c2cc(Br)cc(OC)c2O)ccn1 ZINC000848519098 731174297 /nfs/dbraw/zinc/17/42/97/731174297.db2.gz PFPBWINXCMEIME-JTQLQIEISA-N 0 3 367.243 3.418 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCCn2ccnc2)c1[O-] ZINC000848519801 731174836 /nfs/dbraw/zinc/17/48/36/731174836.db2.gz FBIXPHMVNTXREK-LBPRGKRZSA-N 0 3 368.275 3.491 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccnc2C)c1[O-] ZINC000848522237 731174857 /nfs/dbraw/zinc/17/48/57/731174857.db2.gz WJIMMZVZHSUILU-LLVKDONJSA-N 0 3 368.275 3.409 20 10 FGCDHN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2cnn(C)c2)c1O ZINC000848529176 731175920 /nfs/dbraw/zinc/17/59/20/731175920.db2.gz LADUFVOELQHBHH-UWVGGRQHSA-N 0 3 354.248 3.309 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1[O-] ZINC000848529176 731175922 /nfs/dbraw/zinc/17/59/22/731175922.db2.gz LADUFVOELQHBHH-UWVGGRQHSA-N 0 3 354.248 3.309 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)NCc2cnn(C)c2C)c1O ZINC000848536489 731177591 /nfs/dbraw/zinc/17/75/91/731177591.db2.gz PWPAKXJKGJRPRK-SECBINFHSA-N 0 3 354.248 3.056 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(C)c2C)c1[O-] ZINC000848536489 731177593 /nfs/dbraw/zinc/17/75/93/731177593.db2.gz PWPAKXJKGJRPRK-SECBINFHSA-N 0 3 354.248 3.056 20 10 FGCDHN CN(C)[C@@H](CNC(=O)CSc1ncc(Cl)s1)c1ccccc1 ZINC000849997727 731307641 /nfs/dbraw/zinc/30/76/41/731307641.db2.gz DGMCDJZZUAULNB-LBPRGKRZSA-N 0 3 355.916 3.308 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cncc(C)n2)c1[O-] ZINC000850550713 731372047 /nfs/dbraw/zinc/37/20/47/731372047.db2.gz PPVPIPSEXCPFQN-LLVKDONJSA-N 0 3 366.259 3.155 20 10 FGCDHN CCN(CC)c1ccc(CN(C)CCn2cnc(Br)n2)cc1 ZINC000851717029 731486615 /nfs/dbraw/zinc/48/66/15/731486615.db2.gz URNDRPIBVWAGDK-UHFFFAOYSA-N 0 3 366.307 3.019 20 10 FGCDHN COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000858470636 732218119 /nfs/dbraw/zinc/21/81/19/732218119.db2.gz KBRUTMDSJNOYCG-BXKDBHETSA-N 0 3 370.243 3.076 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1[O-] ZINC000862468521 732838656 /nfs/dbraw/zinc/83/86/56/732838656.db2.gz KGGUOCXQMWNLMR-CYBMUJFWSA-N 0 3 363.246 3.282 20 10 FGCDHN CCC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000862536043 732845650 /nfs/dbraw/zinc/84/56/50/732845650.db2.gz FEEPHILWZCVMLX-UHFFFAOYSA-N 0 3 356.869 3.262 20 10 FGCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000866535774 733362670 /nfs/dbraw/zinc/36/26/70/733362670.db2.gz HSNBKVFXWFSJAQ-OLZOCXBDSA-N 0 3 351.443 3.389 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ccnn2C)c1O ZINC000866615531 733374522 /nfs/dbraw/zinc/37/45/22/733374522.db2.gz UYHBCMHJJYRGDK-ZJUUUORDSA-N 0 3 354.248 3.309 20 10 FGCDHN COCc1csc(CNCc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873137388 735725185 /nfs/dbraw/zinc/72/51/85/735725185.db2.gz AAMWEZGNUCJEHZ-UHFFFAOYSA-N 0 3 357.479 3.438 20 10 FGCDHN CCC[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1[O-] ZINC000876654884 736127758 /nfs/dbraw/zinc/12/77/58/736127758.db2.gz SQRZSJCYLFIXCI-UHFFFAOYSA-N 0 3 368.886 3.105 20 10 FGCDHN CCC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1[O-] ZINC000876654884 736127762 /nfs/dbraw/zinc/12/77/62/736127762.db2.gz SQRZSJCYLFIXCI-UHFFFAOYSA-N 0 3 368.886 3.105 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCCC2(F)F)N(C)C)cc1 ZINC000891243153 739885961 /nfs/dbraw/zinc/88/59/61/739885961.db2.gz JPELBYCAMNFNBE-DOTOQJQBSA-N 0 3 353.457 3.297 20 10 FGCDHN COc1cc(C)cc(CN[C@@H](CO)c2cccc(Br)c2)c1O ZINC000894330799 742268551 /nfs/dbraw/zinc/26/85/51/742268551.db2.gz VALWJENDXWDKDN-HNNXBMFYSA-N 0 3 366.255 3.295 20 10 FGCDHN COc1ccc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894696037 742319601 /nfs/dbraw/zinc/31/96/01/742319601.db2.gz VNHJWSLFYDTVQD-HNNXBMFYSA-N 0 3 351.830 3.228 20 10 FGCDHN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)n1 ZINC000897043440 742635393 /nfs/dbraw/zinc/63/53/93/742635393.db2.gz LKMJOFQDDYWHSL-ZWNOBZJWSA-N 0 3 351.834 3.426 20 10 FGCDHN COc1ccc(CNCc2cccc(NS(=O)(=O)C3CC3)c2)cc1C ZINC000898292554 742771543 /nfs/dbraw/zinc/77/15/43/742771543.db2.gz OGKHPAPGEWJALQ-UHFFFAOYSA-N 0 3 360.479 3.198 20 10 FGCDHN C[C@@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1cc(F)ccc1[O-] ZINC000903263664 743832144 /nfs/dbraw/zinc/83/21/44/743832144.db2.gz NJGMBPIRVRFJFT-WHENESEISA-N 0 3 361.404 3.385 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c([O-])c1 ZINC000903425344 743849292 /nfs/dbraw/zinc/84/92/92/743849292.db2.gz BAVIYSZKCMLYGY-AWEZNQCLSA-N 0 3 360.479 3.456 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cccc(NS(C)(=O)=O)c1 ZINC000921611558 758756083 /nfs/dbraw/zinc/75/60/83/758756083.db2.gz CLWVKRIQIALEGT-CQSZACIVSA-N 0 3 360.479 3.234 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1[O-] ZINC000779023514 724382022 /nfs/dbraw/zinc/38/20/22/724382022.db2.gz GJAPOIPIAJZUBV-NSHDSACASA-N 0 3 355.276 3.159 20 10 FGCDHN NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3c([O-])cccc3Cl)cc2)C1 ZINC000127484392 494951718 /nfs/dbraw/zinc/95/17/18/494951718.db2.gz TVBHKSRFLOQGFZ-HNNXBMFYSA-N 0 3 373.884 3.355 20 10 FGCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCc3c([O-])cccc3Cl)cc2)C1 ZINC000127484392 494951721 /nfs/dbraw/zinc/95/17/21/494951721.db2.gz TVBHKSRFLOQGFZ-HNNXBMFYSA-N 0 3 373.884 3.355 20 10 FGCDHN COc1ccc(NC(=O)C[C@H](C)NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000122787847 495031180 /nfs/dbraw/zinc/03/11/80/495031180.db2.gz CVRMUWFGJNDYEM-HNNXBMFYSA-N 0 3 371.481 3.277 20 10 FGCDHN Cc1nn(C)c2ncc(CN(Cc3ccccc3O)C[C@H]3CCCO3)cc12 ZINC000111233040 495051732 /nfs/dbraw/zinc/05/17/32/495051732.db2.gz CORWTHBVXVNRNJ-GOSISDBHSA-N 0 3 366.465 3.164 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000179687816 495692323 /nfs/dbraw/zinc/69/23/23/495692323.db2.gz NKHYLFMDNMXKME-UHFFFAOYSA-N 0 3 360.498 3.406 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000151069899 495729628 /nfs/dbraw/zinc/72/96/28/495729628.db2.gz IESVCWODUWWQGF-PUAOIOHZSA-N 0 3 358.507 3.111 20 10 FGCDHN COc1ccc(O)c(CN2CCC(NC(=O)c3ccc(C)s3)CC2)c1 ZINC000179918806 495783436 /nfs/dbraw/zinc/78/34/36/495783436.db2.gz BHKRTPFPULTETR-UHFFFAOYSA-N 0 3 360.479 3.165 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000186126750 495866536 /nfs/dbraw/zinc/86/65/36/495866536.db2.gz UFHASMNEOJYTKJ-IXDGSTSKSA-N 0 3 352.906 3.464 20 10 FGCDHN C[C@H](NC[C@](C)(O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160118190 495887657 /nfs/dbraw/zinc/88/76/57/495887657.db2.gz CVRHOWXHXHHXOH-LIRRHRJNSA-N 0 3 364.486 3.282 20 10 FGCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000155271053 495899109 /nfs/dbraw/zinc/89/91/09/495899109.db2.gz OPYNYMFJENMBDD-RDTXWAMCSA-N 0 3 362.495 3.444 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1[O-] ZINC000186276364 495925103 /nfs/dbraw/zinc/92/51/03/495925103.db2.gz SNYHSWDPUDOGDA-OALUTQOASA-N 0 3 354.450 3.243 20 10 FGCDHN COc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)cc1 ZINC000183380055 495955572 /nfs/dbraw/zinc/95/55/72/495955572.db2.gz ZMKJVXPPYRDNQK-OXQOHEQNSA-N 0 3 356.466 3.125 20 10 FGCDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000151881286 495979453 /nfs/dbraw/zinc/97/94/53/495979453.db2.gz XMYSFBDQLBGHQI-CABCVRRESA-N 0 3 361.511 3.073 20 10 FGCDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161423904 496173858 /nfs/dbraw/zinc/17/38/58/496173858.db2.gz OALYALJWXMIWFH-GJZGRUSLSA-N 0 3 361.511 3.073 20 10 FGCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000165176783 496650900 /nfs/dbraw/zinc/65/09/00/496650900.db2.gz IIVQJTOTCUDIGZ-HXUWFJFHSA-N 0 3 356.441 3.448 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185082855 496651469 /nfs/dbraw/zinc/65/14/69/496651469.db2.gz BHKFCNXHHAFIFB-MRXNPFEDSA-N 0 3 368.477 3.251 20 10 FGCDHN COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])ccc1OCC(=O)N(C)C ZINC000273420093 496802289 /nfs/dbraw/zinc/80/22/89/496802289.db2.gz RWWQZXOPQRINBH-OAHLLOKOSA-N 0 3 372.465 3.027 20 10 FGCDHN COc1c([O-])c(C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475943 497127652 /nfs/dbraw/zinc/12/76/52/497127652.db2.gz ILYUSQKICNGRMP-HIFRSBDPSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1c([O-])c(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475943 497127654 /nfs/dbraw/zinc/12/76/54/497127654.db2.gz ILYUSQKICNGRMP-HIFRSBDPSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1c([O-])c(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475943 497127660 /nfs/dbraw/zinc/12/76/60/497127660.db2.gz ILYUSQKICNGRMP-HIFRSBDPSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000271795609 497453200 /nfs/dbraw/zinc/45/32/00/497453200.db2.gz HUFQULCFLLSDKY-ZUOKHONESA-N 0 3 361.438 3.284 20 10 FGCDHN Cc1cc(Br)cc(CN2CCS[C@@H]3COCC[C@H]32)c1O ZINC000245608331 497472150 /nfs/dbraw/zinc/47/21/50/497472150.db2.gz AFDZYSLKCNCYAX-ZIAGYGMSSA-N 0 3 358.301 3.169 20 10 FGCDHN CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1[O-] ZINC000280126060 497657559 /nfs/dbraw/zinc/65/75/59/497657559.db2.gz OPHANKUHJCSJDM-RDTXWAMCSA-N 0 3 362.495 3.411 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+][C@H](c1ccc3c(c1)OCCO3)C1CC1)OCO2 ZINC000263666359 497807175 /nfs/dbraw/zinc/80/71/75/497807175.db2.gz IPUGCFNRGJZJGR-FQEVSTJZSA-N 0 3 355.390 3.133 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000364259643 497866278 /nfs/dbraw/zinc/86/62/78/497866278.db2.gz HFJVFKLPHWIQDZ-GOSISDBHSA-N 0 3 358.438 3.357 20 10 FGCDHN CCOc1ccc2c(c1)[C@@H](NCc1cc(OC)c(OC)cc1O)CCO2 ZINC000364301909 497888011 /nfs/dbraw/zinc/88/80/11/497888011.db2.gz CDFYHQQFPLTUAV-INIZCTEOSA-N 0 3 359.422 3.422 20 10 FGCDHN COC1CCN(c2ccc(CN3C[C@@]4(CCOC4)OC(C)(C)C3)cc2)CC1 ZINC000296087390 497915233 /nfs/dbraw/zinc/91/52/33/497915233.db2.gz SZQKZQKFVFIGBL-JOCHJYFZSA-N 0 3 374.525 3.072 20 10 FGCDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000280964162 497968415 /nfs/dbraw/zinc/96/84/15/497968415.db2.gz KUKXOGKBBPGQEZ-MRXNPFEDSA-N 0 3 350.528 3.295 20 10 FGCDHN C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000281004355 497983430 /nfs/dbraw/zinc/98/34/30/497983430.db2.gz NUJMPRWPFGDXTP-MRXNPFEDSA-N 0 3 350.528 3.295 20 10 FGCDHN C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282205166 498423060 /nfs/dbraw/zinc/42/30/60/498423060.db2.gz HARQGNGWFOBOLA-GFCCVEGCSA-N 0 3 360.329 3.376 20 10 FGCDHN COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000290111997 498432941 /nfs/dbraw/zinc/43/29/41/498432941.db2.gz ISMXUUSQDAEIHN-RNODOKPDSA-N 0 3 363.429 3.193 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC000363750112 498973722 /nfs/dbraw/zinc/97/37/22/498973722.db2.gz MFZWNFJGROLKLS-VQIMIIECSA-N 0 3 352.482 3.103 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000372497482 499134647 /nfs/dbraw/zinc/13/46/47/499134647.db2.gz QGVOAZOZNNAPDP-GWCFXTLKSA-N 0 3 350.260 3.394 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c1 ZINC000372587781 499149771 /nfs/dbraw/zinc/14/97/71/499149771.db2.gz ABJUDONCBXWKGK-CRAIPNDOSA-N 0 3 358.482 3.186 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000372711593 499164975 /nfs/dbraw/zinc/16/49/75/499164975.db2.gz GZXMRVLRVXBWKR-OAHLLOKOSA-N 0 3 359.470 3.275 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)cc(F)c1[O-] ZINC000370400017 499216930 /nfs/dbraw/zinc/21/69/30/499216930.db2.gz WRTNWFORRGHUIB-LDYMZIIASA-N 0 3 354.223 3.225 20 10 FGCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370662590 499241617 /nfs/dbraw/zinc/24/16/17/499241617.db2.gz MTSMECVZNCPUBU-QFBILLFUSA-N 0 3 352.482 3.103 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2ccccc2c1[O-] ZINC000368325406 499285390 /nfs/dbraw/zinc/28/53/90/499285390.db2.gz ADVZACAYDHLHRP-WMZOPIPTSA-N 0 3 353.510 3.365 20 10 FGCDHN C[C@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1cc(F)ccc1[O-] ZINC000368333831 499286392 /nfs/dbraw/zinc/28/63/92/499286392.db2.gz SBHOBPUGRQDEBR-ZDUSSCGKSA-N 0 3 358.413 3.192 20 10 FGCDHN COC(=O)c1ccnc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)c1 ZINC000371864776 499373139 /nfs/dbraw/zinc/37/31/39/499373139.db2.gz ODHHZQDJVSWMHE-CYBMUJFWSA-N 0 3 373.428 3.033 20 10 FGCDHN CCc1nc(CN2CCCN(Cc3cc(OC)ccc3O)CC2)cs1 ZINC000373231397 499458902 /nfs/dbraw/zinc/45/89/02/499458902.db2.gz XGHMOIMXYJXCNM-UHFFFAOYSA-N 0 3 361.511 3.128 20 10 FGCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(N(C)C)cc1 ZINC000378164001 499761544 /nfs/dbraw/zinc/76/15/44/499761544.db2.gz ITZQRLPPAZPUTG-MRXNPFEDSA-N 0 3 367.493 3.414 20 10 FGCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](c1ccccc1)N(C)C ZINC000433361453 500681291 /nfs/dbraw/zinc/68/12/91/500681291.db2.gz HCBZSGGBYAJXQX-LJQANCHMSA-N 0 3 353.466 3.171 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1OCC(=O)N(C)C ZINC000475199888 502096817 /nfs/dbraw/zinc/09/68/17/502096817.db2.gz WYIIJPMLSKFWDB-UHFFFAOYSA-N 0 3 365.477 3.244 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCc4ccccc4O3)C1)[C@@H](O)CO2 ZINC000530102854 503838826 /nfs/dbraw/zinc/83/88/26/503838826.db2.gz BIOLUVBMFNQIMK-UGKGYDQZSA-N 0 3 367.445 3.178 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CCc4ccccc4O3)C1)[C@@H](O)CO2 ZINC000530102854 503838829 /nfs/dbraw/zinc/83/88/29/503838829.db2.gz BIOLUVBMFNQIMK-UGKGYDQZSA-N 0 3 367.445 3.178 20 10 FGCDHN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)c1O ZINC000740095552 600559732 /nfs/dbraw/zinc/55/97/32/600559732.db2.gz BJFZLMIECWXJHU-HNNXBMFYSA-N 0 3 354.450 3.161 20 10 FGCDHN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@@H](CN3CCCC3)C2)c1O ZINC000740095552 600559733 /nfs/dbraw/zinc/55/97/33/600559733.db2.gz BJFZLMIECWXJHU-HNNXBMFYSA-N 0 3 354.450 3.161 20 10 FGCDHN O=C([O-])c1cc2ccccc2c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000740095552 600559735 /nfs/dbraw/zinc/55/97/35/600559735.db2.gz BJFZLMIECWXJHU-HNNXBMFYSA-N 0 3 354.450 3.161 20 10 FGCDHN CCN(CC)c1ccc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821198328 606218076 /nfs/dbraw/zinc/21/80/76/606218076.db2.gz ROAHDXZMRQZTSE-UHFFFAOYSA-N 0 3 360.462 3.203 20 10 FGCDHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067491 700222907 /nfs/dbraw/zinc/22/29/07/700222907.db2.gz MPQPSPHRNNPWPD-RTBURBONSA-N 0 3 363.571 3.317 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCOC1 ZINC000780723211 724495503 /nfs/dbraw/zinc/49/55/03/724495503.db2.gz HEKPIJVQCZIJSN-MPGHIAIKSA-N 0 3 352.906 3.415 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000783596627 724769970 /nfs/dbraw/zinc/76/99/70/724769970.db2.gz ZIDXZYPUHYDOIW-GFCCVEGCSA-N 0 3 355.360 3.453 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000783596627 724769976 /nfs/dbraw/zinc/76/99/76/724769976.db2.gz ZIDXZYPUHYDOIW-GFCCVEGCSA-N 0 3 355.360 3.453 20 10 FGCDHN CCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1O ZINC000727830910 722447877 /nfs/dbraw/zinc/44/78/77/722447877.db2.gz VDPCPAHUTVAJAY-OAHLLOKOSA-N 0 3 358.404 3.405 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000731677643 722477275 /nfs/dbraw/zinc/47/72/75/722477275.db2.gz CFUBHHPERJTQRH-UHFFFAOYSA-N 0 3 359.813 3.437 20 10 FGCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)N(C)C(C)C)CC2)c1O ZINC000748050437 722673234 /nfs/dbraw/zinc/67/32/34/722673234.db2.gz BEASWSSPWFMZQN-UHFFFAOYSA-N 0 3 366.889 3.327 20 10 FGCDHN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000756344936 722963141 /nfs/dbraw/zinc/96/31/41/722963141.db2.gz VAXSCTFDLGDIQJ-WMLDXEAASA-N 0 3 363.502 3.232 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756469517 722965213 /nfs/dbraw/zinc/96/52/13/722965213.db2.gz JDEDQOITWLUQKG-NHYWBVRUSA-N 0 3 364.442 3.241 20 10 FGCDHN C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000756601788 722967539 /nfs/dbraw/zinc/96/75/39/722967539.db2.gz BADPGFIOTVPZFW-MGPUTAFESA-N 0 3 360.885 3.333 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000758529321 722991113 /nfs/dbraw/zinc/99/11/13/722991113.db2.gz UROKWRXFDVMNMX-AWEZNQCLSA-N 0 3 350.256 3.096 20 10 FGCDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000760886016 723101631 /nfs/dbraw/zinc/10/16/31/723101631.db2.gz NNODQBQSCKVCRM-MDASCCDHSA-N 0 3 368.905 3.021 20 10 FGCDHN Cc1ccc(O)c(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c1 ZINC000790602246 723157073 /nfs/dbraw/zinc/15/70/73/723157073.db2.gz RDMFSJHQBCTUBO-UHFFFAOYSA-N 0 3 373.396 3.413 20 10 FGCDHN C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000762652751 723267898 /nfs/dbraw/zinc/26/78/98/723267898.db2.gz XZTSYJYANBMDRX-UONOGXRCSA-N 0 3 371.319 3.306 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000794803866 723546736 /nfs/dbraw/zinc/54/67/36/723546736.db2.gz SNHNFDOHECLVBY-GOSISDBHSA-N 0 3 362.495 3.192 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000794807155 723546991 /nfs/dbraw/zinc/54/69/91/723546991.db2.gz KNQJGQMUJXXYHT-FZKQIMNGSA-N 0 3 351.393 3.459 20 10 FGCDHN O[C@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)C(F)(F)F ZINC000796276497 723629792 /nfs/dbraw/zinc/62/97/92/723629792.db2.gz ZLVCWXIFQBDKKV-GOSISDBHSA-N 0 3 350.384 3.262 20 10 FGCDHN CCOc1ccc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768247245 723651766 /nfs/dbraw/zinc/65/17/66/723651766.db2.gz AJRNJPXHMHWTAU-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000768247245 723651768 /nfs/dbraw/zinc/65/17/68/723651768.db2.gz AJRNJPXHMHWTAU-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000768247245 723651769 /nfs/dbraw/zinc/65/17/69/723651769.db2.gz AJRNJPXHMHWTAU-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000775202938 723970844 /nfs/dbraw/zinc/97/08/44/723970844.db2.gz ZRHUSWNTQJUBJP-SFHVURJKSA-N 0 3 355.862 3.465 20 10 FGCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000775202938 723970846 /nfs/dbraw/zinc/97/08/46/723970846.db2.gz ZRHUSWNTQJUBJP-SFHVURJKSA-N 0 3 355.862 3.465 20 10 FGCDHN CN(C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000802379827 724380016 /nfs/dbraw/zinc/38/00/16/724380016.db2.gz VETDIPLDNYHMKZ-FIRRRZPPSA-N 0 3 360.841 3.184 20 10 FGCDHN Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000786580200 724989797 /nfs/dbraw/zinc/98/97/97/724989797.db2.gz YEOAILJBDKNQAL-KRWDZBQOSA-N 0 3 364.283 3.465 20 10 FGCDHN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1 ZINC000786579307 724989881 /nfs/dbraw/zinc/98/98/81/724989881.db2.gz OQBQHWUMXZPIBL-QGZVFWFLSA-N 0 3 364.283 3.465 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000809697618 725259960 /nfs/dbraw/zinc/25/99/60/725259960.db2.gz KFVMPTDGMARRRU-MRXNPFEDSA-N 0 3 351.878 3.124 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000809742390 725264483 /nfs/dbraw/zinc/26/44/83/725264483.db2.gz VMSSRSRCOCXSCN-QGZVFWFLSA-N 0 3 355.356 3.374 20 10 FGCDHN CCN(C)c1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000815106894 727038907 /nfs/dbraw/zinc/03/89/07/727038907.db2.gz FSABMHNCLGGKLW-UHFFFAOYSA-N 0 3 357.420 3.033 20 10 FGCDHN COc1ccc(CNCc2c(Cl)cccc2N2CCOCC2)c(O)c1 ZINC000824320831 729330697 /nfs/dbraw/zinc/33/06/97/729330697.db2.gz KVEPURRIPGHVET-UHFFFAOYSA-N 0 3 362.857 3.181 20 10 FGCDHN C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000834585220 729816300 /nfs/dbraw/zinc/81/63/00/729816300.db2.gz JKPKRRJBCHXMCP-WMLDXEAASA-N 0 3 360.889 3.021 20 10 FGCDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn(C)n1 ZINC000840725630 730166429 /nfs/dbraw/zinc/16/64/29/730166429.db2.gz BSSNYIQXFLZAJE-UONOGXRCSA-N 0 3 350.413 3.341 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c1[O-] ZINC000840960489 730197700 /nfs/dbraw/zinc/19/77/00/730197700.db2.gz ICZSWZNWTIILFS-QFYYESIMSA-N 0 3 358.276 3.457 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CCCNCc2cccnc2)c1[O-] ZINC000841042729 730205743 /nfs/dbraw/zinc/20/57/43/730205743.db2.gz QJACHKCAXHPXEX-UHFFFAOYSA-N 0 3 364.287 3.128 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752684 730270797 /nfs/dbraw/zinc/27/07/97/730270797.db2.gz VBGRXQCJUVUDNH-DOPJRALCSA-N 0 3 352.906 3.464 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1[O-] ZINC000842919970 730557060 /nfs/dbraw/zinc/55/70/60/730557060.db2.gz OEAKQYSWWKYPIJ-SJKOYZFVSA-N 0 3 372.303 3.291 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000844709701 730756075 /nfs/dbraw/zinc/75/60/75/730756075.db2.gz HEDBVRJWRHUYNU-UHFFFAOYSA-N 0 3 350.459 3.185 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)c1[O-] ZINC000848527920 731175695 /nfs/dbraw/zinc/17/56/95/731175695.db2.gz IFBSBFNOKMEYHB-MNOVXSKESA-N 0 3 357.292 3.297 20 10 FGCDHN CCc1cc(CN[C@@H](C)c2cc(Br)cc(OC)c2O)[nH]n1 ZINC000848530001 731176264 /nfs/dbraw/zinc/17/62/64/731176264.db2.gz AYKNHUBRKBRQOT-VIFPVBQESA-N 0 3 354.248 3.300 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2nc(C)no2)c1[O-] ZINC000848534112 731176614 /nfs/dbraw/zinc/17/66/14/731176614.db2.gz MWOFMNZGYNVILC-SECBINFHSA-N 0 3 370.247 3.138 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000848551296 731180163 /nfs/dbraw/zinc/18/01/63/731180163.db2.gz IUECHGLYMCDDGN-IINYFYTJSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cnc(C)cn2)c1[O-] ZINC000848552130 731180548 /nfs/dbraw/zinc/18/05/48/731180548.db2.gz HTFMHADOFWDIAB-NSHDSACASA-N 0 3 366.259 3.155 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848569605 731183359 /nfs/dbraw/zinc/18/33/59/731183359.db2.gz FYJCUWXSMAAGPN-GWCFXTLKSA-N 0 3 369.259 3.097 20 10 FGCDHN Cc1nc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]c1C ZINC000850114398 731320843 /nfs/dbraw/zinc/32/08/43/731320843.db2.gz DPLOOHAAVMHJCQ-UHFFFAOYSA-N 0 3 350.413 3.387 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)c1[O-] ZINC000850421503 731355460 /nfs/dbraw/zinc/35/54/60/731355460.db2.gz YAULOMJLKPUHKG-ZBEGNZNMSA-N 0 3 366.255 3.375 20 10 FGCDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000850545577 731371543 /nfs/dbraw/zinc/37/15/43/731371543.db2.gz HILXZNLYJOWLTQ-VHSSKADRSA-N 0 3 350.890 3.131 20 10 FGCDHN COC(=O)c1cnc(C2CCN(Cc3cc(OC)ccc3O)CC2)s1 ZINC000862474721 732839162 /nfs/dbraw/zinc/83/91/62/732839162.db2.gz YUXGBKSMMNRQFE-UHFFFAOYSA-N 0 3 362.451 3.024 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1[O-] ZINC000865762085 733265571 /nfs/dbraw/zinc/26/55/71/733265571.db2.gz LERUAIIWWNKVSP-WBMJQRKESA-N 0 3 370.287 3.458 20 10 FGCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000866535776 733362269 /nfs/dbraw/zinc/36/22/69/733362269.db2.gz HSNBKVFXWFSJAQ-STQMWFEESA-N 0 3 351.443 3.389 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1[O-] ZINC000872111855 735589835 /nfs/dbraw/zinc/58/98/35/735589835.db2.gz GSVZTFWZEYQHBP-VXGBXAGGSA-N 0 3 356.260 3.457 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(C)cc2O)s1 ZINC000876983348 736170234 /nfs/dbraw/zinc/17/02/34/736170234.db2.gz VWKJLEZCTQWCQL-UHFFFAOYSA-N 0 3 368.524 3.082 20 10 FGCDHN Cc1cc([O-])c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000877691693 736706517 /nfs/dbraw/zinc/70/65/17/736706517.db2.gz OTIJQPIUBUJUDH-KRWDZBQOSA-N 0 3 350.802 3.260 20 10 FGCDHN Cc1cc(N(C)C)ccc1CNCc1ccnc(N2CCSCC2)c1 ZINC000877698182 736707913 /nfs/dbraw/zinc/70/79/13/736707913.db2.gz UXEUKINMFLCTIR-UHFFFAOYSA-N 0 3 356.539 3.299 20 10 FGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(Br)no1 ZINC000878150444 736780511 /nfs/dbraw/zinc/78/05/11/736780511.db2.gz DKLPMHJYQUXTCR-CYBMUJFWSA-N 0 3 355.232 3.088 20 10 FGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(Br)no1 ZINC000878150444 736780514 /nfs/dbraw/zinc/78/05/14/736780514.db2.gz DKLPMHJYQUXTCR-CYBMUJFWSA-N 0 3 355.232 3.088 20 10 FGCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(Br)no1 ZINC000878150445 736780695 /nfs/dbraw/zinc/78/06/95/736780695.db2.gz DKLPMHJYQUXTCR-ZDUSSCGKSA-N 0 3 355.232 3.088 20 10 FGCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1cc(Br)no1 ZINC000878150445 736780699 /nfs/dbraw/zinc/78/06/99/736780699.db2.gz DKLPMHJYQUXTCR-ZDUSSCGKSA-N 0 3 355.232 3.088 20 10 FGCDHN C[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccccc1[O-] ZINC000879648205 737023228 /nfs/dbraw/zinc/02/32/28/737023228.db2.gz DUZDVHLLRIWXPE-CYBMUJFWSA-N 0 3 355.463 3.011 20 10 FGCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCC3(CCOCC3)CO2)cc1F ZINC000883252969 737541227 /nfs/dbraw/zinc/54/12/27/737541227.db2.gz FMRCDFGEZZGMTQ-HNNXBMFYSA-N 0 3 354.441 3.096 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895847877 742462779 /nfs/dbraw/zinc/46/27/79/742462779.db2.gz WWBIOKYRBYGRGX-FZMZJTMJSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895847877 742462781 /nfs/dbraw/zinc/46/27/81/742462781.db2.gz WWBIOKYRBYGRGX-FZMZJTMJSA-N 0 3 356.260 3.164 20 10 FGCDHN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(OC)c3[O-])C2)n1 ZINC000897043439 742635383 /nfs/dbraw/zinc/63/53/83/742635383.db2.gz LKMJOFQDDYWHSL-MFKMUULPSA-N 0 3 351.834 3.426 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1[O-] ZINC000897781043 742713042 /nfs/dbraw/zinc/71/30/42/742713042.db2.gz NVSUSDMHBPDRLT-UFRSZFPASA-N 0 3 356.260 3.211 20 10 FGCDHN COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000903131592 743810883 /nfs/dbraw/zinc/81/08/83/743810883.db2.gz UVTYYMJJJKWWMW-UMNHJUIQSA-N 0 3 372.259 3.156 20 10 FGCDHN O=[N+]([O-])c1cc(CNCCOCC(F)(F)F)ccc1N1CCCCC1 ZINC000913169406 757473029 /nfs/dbraw/zinc/47/30/29/757473029.db2.gz RFYNYCBAQWCVEP-UHFFFAOYSA-N 0 3 361.364 3.254 20 10 FGCDHN CN(C)CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])c1cccnc1 ZINC000922632772 758966190 /nfs/dbraw/zinc/96/61/90/758966190.db2.gz VLRWSHJNVGNPKS-INIZCTEOSA-N 0 3 364.287 3.332 20 10 FGCDHN C[C@H](NCCOC1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000927075198 759886238 /nfs/dbraw/zinc/88/62/38/759886238.db2.gz BWWLXUVQJLFXTO-HNNXBMFYSA-N 0 3 368.905 3.023 20 10 FGCDHN [O-]c1ccccc1C[N@H+](CCOC1CCSCC1)C[C@H]1CCCO1 ZINC000929970893 760503778 /nfs/dbraw/zinc/50/37/78/760503778.db2.gz LPEQAUKHNITINW-GOSISDBHSA-N 0 3 351.512 3.285 20 10 FGCDHN [O-]c1ccccc1C[N@@H+](CCOC1CCSCC1)C[C@H]1CCCO1 ZINC000929970893 760503788 /nfs/dbraw/zinc/50/37/88/760503788.db2.gz LPEQAUKHNITINW-GOSISDBHSA-N 0 3 351.512 3.285 20 10 FGCDHN COC1CCN(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779028074 724382659 /nfs/dbraw/zinc/38/26/59/724382659.db2.gz VXIORNMXTQJIID-ZDUSSCGKSA-N 0 3 371.319 3.225 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000779039591 724383654 /nfs/dbraw/zinc/38/36/54/724383654.db2.gz DFHQKSPNBCTSQV-PELKAZGASA-N 0 3 356.182 3.427 20 10 FGCDHN O=C(Nc1cnccn1)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000054388940 494228580 /nfs/dbraw/zinc/22/85/80/494228580.db2.gz FFYURRDGIYPJRY-UHFFFAOYSA-N 0 3 362.433 3.186 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3cccc(C)n3)CC2)c1 ZINC000121968238 494900787 /nfs/dbraw/zinc/90/07/87/494900787.db2.gz XIIFEJCZFLHHPZ-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)Nc3cccc(C)n3)CC2)c1 ZINC000121968238 494900790 /nfs/dbraw/zinc/90/07/90/494900790.db2.gz XIIFEJCZFLHHPZ-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN COc1ccc(N2CCC(NCc3nccn3CC(F)(F)F)CC2)cc1 ZINC000105427940 495364732 /nfs/dbraw/zinc/36/47/32/495364732.db2.gz AQCMFFZIYADKDZ-UHFFFAOYSA-N 0 3 368.403 3.213 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000186032199 495828239 /nfs/dbraw/zinc/82/82/39/495828239.db2.gz TZBGLLWRDJUBEF-OAHLLOKOSA-N 0 3 360.479 3.091 20 10 FGCDHN COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2=O)cc1 ZINC000186050312 495836608 /nfs/dbraw/zinc/83/66/08/495836608.db2.gz PAAKYGJWIWKPBV-HNAYVOBHSA-N 0 3 354.450 3.161 20 10 FGCDHN C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2)C[C@H](C)O1 ZINC000180520580 496030819 /nfs/dbraw/zinc/03/08/19/496030819.db2.gz CJMVMZFTISVEDL-GJZGRUSLSA-N 0 3 372.440 3.071 20 10 FGCDHN C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000184965391 496603535 /nfs/dbraw/zinc/60/35/35/496603535.db2.gz ZUYINYWXUPOSMO-OAHLLOKOSA-N 0 3 371.456 3.285 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c1 ZINC000185147006 496680850 /nfs/dbraw/zinc/68/08/50/496680850.db2.gz LTCCVLJJLULOSX-SFHVURJKSA-N 0 3 370.493 3.262 20 10 FGCDHN C[C@@H]1CN(c2ccc(CN[C@H]3CCCc4c3cnn4C)cc2F)C[C@@H](C)O1 ZINC000268782267 496784700 /nfs/dbraw/zinc/78/47/00/496784700.db2.gz DKGKCUSRIUPPAR-CLCXKQKWSA-N 0 3 372.488 3.340 20 10 FGCDHN Cc1ccc([C@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1C ZINC000273464304 496813597 /nfs/dbraw/zinc/81/35/97/496813597.db2.gz QWIUCTMICSIMAS-QFBILLFUSA-N 0 3 353.466 3.246 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c([O-])c1C ZINC000273464304 496813600 /nfs/dbraw/zinc/81/36/00/496813600.db2.gz QWIUCTMICSIMAS-QFBILLFUSA-N 0 3 353.466 3.246 20 10 FGCDHN CC[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000274815979 497173157 /nfs/dbraw/zinc/17/31/57/497173157.db2.gz WLGRSZHYCDKEQS-HXUWFJFHSA-N 0 3 354.498 3.225 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274951146 497205171 /nfs/dbraw/zinc/20/51/71/497205171.db2.gz SFVBZZSYWPNGKX-UHFFFAOYSA-N 0 3 356.470 3.098 20 10 FGCDHN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(C)cc1[O-] ZINC000279970042 497605664 /nfs/dbraw/zinc/60/56/64/497605664.db2.gz CWSBJKFDEKHKHQ-QGZVFWFLSA-N 0 3 368.543 3.334 20 10 FGCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])c1 ZINC000280099221 497649605 /nfs/dbraw/zinc/64/96/05/497649605.db2.gz MYSJLPILQBRLBD-IBGZPJMESA-N 0 3 356.466 3.456 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CCN(C)C[C@H]3C)cc2)CC1 ZINC000246410517 497724385 /nfs/dbraw/zinc/72/43/85/497724385.db2.gz UUADOMZFMSWTOP-WIYYLYMNSA-N 0 3 372.557 3.405 20 10 FGCDHN CCN1CCC[C@@H](C[N@H+](C)Cc2cc(F)ccc2[O-])[C@@H]1c1cnn(C)c1 ZINC000364713200 498107013 /nfs/dbraw/zinc/10/70/13/498107013.db2.gz FXTCLMONHLLPKW-MGPUTAFESA-N 0 3 360.477 3.170 20 10 FGCDHN CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])[C@@H]1c1cnn(C)c1 ZINC000364713200 498107016 /nfs/dbraw/zinc/10/70/16/498107016.db2.gz FXTCLMONHLLPKW-MGPUTAFESA-N 0 3 360.477 3.170 20 10 FGCDHN COc1cccc(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1O ZINC000293210791 498307701 /nfs/dbraw/zinc/30/77/01/498307701.db2.gz YGMVNTBDFIQWQX-KBXCAEBGSA-N 0 3 372.440 3.382 20 10 FGCDHN CCCN(CCC)c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000290154217 498444407 /nfs/dbraw/zinc/44/44/07/498444407.db2.gz PGMQTWQOUBOADX-GOSISDBHSA-N 0 3 352.544 3.227 20 10 FGCDHN COc1cc(O)c(CNCc2ccc(OC(F)F)c(F)c2)cc1OC ZINC000293703868 498460575 /nfs/dbraw/zinc/46/05/75/498460575.db2.gz RTHOPYJKPFIURN-UHFFFAOYSA-N 0 3 357.328 3.440 20 10 FGCDHN COc1cc(O)c(CN[C@H](CCO)c2ccc(Cl)cc2)cc1OC ZINC000290279696 498494163 /nfs/dbraw/zinc/49/41/63/498494163.db2.gz YXVVKMFOUGISMX-OAHLLOKOSA-N 0 3 351.830 3.276 20 10 FGCDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cn4cccnc4n3)C2)cc1 ZINC000297785225 498566737 /nfs/dbraw/zinc/56/67/37/498566737.db2.gz WKPMAMXSQGIZAU-CQSZACIVSA-N 0 3 373.407 3.089 20 10 FGCDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287061918 498612603 /nfs/dbraw/zinc/61/26/03/498612603.db2.gz NOLJRQNWJAOPHQ-HZPDHXFCSA-N 0 3 368.518 3.291 20 10 FGCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1C ZINC000294738380 498788798 /nfs/dbraw/zinc/78/87/98/498788798.db2.gz DTASUNCFKXILII-LJQANCHMSA-N 0 3 355.482 3.139 20 10 FGCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1C ZINC000294738380 498788805 /nfs/dbraw/zinc/78/88/05/498788805.db2.gz DTASUNCFKXILII-LJQANCHMSA-N 0 3 355.482 3.139 20 10 FGCDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000298607021 498826945 /nfs/dbraw/zinc/82/69/45/498826945.db2.gz NRMTXOAACPANLS-WCWDXBQESA-N 0 3 367.453 3.497 20 10 FGCDHN COc1cc([O-])c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)cc1OC ZINC000295054453 498894801 /nfs/dbraw/zinc/89/48/01/498894801.db2.gz GAJGNDKPIHQMDP-CYBMUJFWSA-N 0 3 368.474 3.192 20 10 FGCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc(C)c1O ZINC000299143043 498976430 /nfs/dbraw/zinc/97/64/30/498976430.db2.gz AJPJLVDFAMUEDG-UHFFFAOYSA-N 0 3 358.457 3.399 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc2c(cc1[O-])CCCC2 ZINC000363857044 499027131 /nfs/dbraw/zinc/02/71/31/499027131.db2.gz PMSRQDUSMHEFDH-KUHUBIRLSA-N 0 3 355.482 3.188 20 10 FGCDHN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1cc2c(cc1O)CCCC2 ZINC000363857044 499027135 /nfs/dbraw/zinc/02/71/35/499027135.db2.gz PMSRQDUSMHEFDH-KUHUBIRLSA-N 0 3 355.482 3.188 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c([O-])c1 ZINC000284115809 499051277 /nfs/dbraw/zinc/05/12/77/499051277.db2.gz NNEFGJQGYOSKGC-QGZVFWFLSA-N 0 3 354.498 3.007 20 10 FGCDHN O=C1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H](C2CC2)N1 ZINC000366925182 499116953 /nfs/dbraw/zinc/11/69/53/499116953.db2.gz KGNSSAXRFUWUNT-DENIHFKCSA-N 0 3 366.461 3.118 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c1 ZINC000372587791 499150071 /nfs/dbraw/zinc/15/00/71/499150071.db2.gz ABJUDONCBXWKGK-YJBOKZPZSA-N 0 3 358.482 3.186 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ncccc3C)CC2)c1 ZINC000367226385 499164641 /nfs/dbraw/zinc/16/46/41/499164641.db2.gz LERBXDYSKNNXQJ-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)Nc3ncccc3C)CC2)c1 ZINC000367226385 499164644 /nfs/dbraw/zinc/16/46/44/499164644.db2.gz LERBXDYSKNNXQJ-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CCCCN(Cc1cnc(-c2cnn(C)c2)nc1)Cc1ccccc1O ZINC000370277274 499204830 /nfs/dbraw/zinc/20/48/30/499204830.db2.gz TZJCHSLPOTYXAY-UHFFFAOYSA-N 0 3 351.454 3.385 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1[O-] ZINC000368402227 499292648 /nfs/dbraw/zinc/29/26/48/499292648.db2.gz JODBLJQYFGAUJG-RDTXWAMCSA-N 0 3 362.905 3.260 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000371397305 499320818 /nfs/dbraw/zinc/32/08/18/499320818.db2.gz ZYBCQFHEDDXRFL-ZDUSSCGKSA-N 0 3 361.467 3.098 20 10 FGCDHN Cc1cnn(C)c1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000375685576 499545240 /nfs/dbraw/zinc/54/52/40/499545240.db2.gz SDKISNPRZUWBDL-UHFFFAOYSA-N 0 3 350.413 3.089 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000377803573 499736707 /nfs/dbraw/zinc/73/67/07/499736707.db2.gz YAUUTHMJZYMGMV-CMPLNLGQSA-N 0 3 350.260 3.394 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1[O-] ZINC000377803573 499736708 /nfs/dbraw/zinc/73/67/08/499736708.db2.gz YAUUTHMJZYMGMV-CMPLNLGQSA-N 0 3 350.260 3.394 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000472234704 502279410 /nfs/dbraw/zinc/27/94/10/502279410.db2.gz XFONIOYZLDORNL-UHFFFAOYSA-N 0 3 368.481 3.353 20 10 FGCDHN CCN(CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C1CC1 ZINC000489909310 503063185 /nfs/dbraw/zinc/06/31/85/503063185.db2.gz WPISEUIZRZLHKQ-UHFFFAOYSA-N 0 3 357.498 3.119 20 10 FGCDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ncccc2O)C1 ZINC000584759191 507488972 /nfs/dbraw/zinc/48/89/72/507488972.db2.gz APHPHJBCJFSSMO-UHFFFAOYSA-N 0 3 364.449 3.147 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2(O)CCCCCC2)c1[O-] ZINC000117947069 700606391 /nfs/dbraw/zinc/60/63/91/700606391.db2.gz BMFPBNUWXBCEER-UHFFFAOYSA-N 0 3 358.276 3.338 20 10 FGCDHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000123044483 700699445 /nfs/dbraw/zinc/69/94/45/700699445.db2.gz WLSSZVHJOIBPHG-HOTGVXAUSA-N 0 3 351.922 3.036 20 10 FGCDHN CCOc1ccc(O)c(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128474666 700775802 /nfs/dbraw/zinc/77/58/02/700775802.db2.gz WDENVHMIYOGQHJ-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000779094280 724389634 /nfs/dbraw/zinc/38/96/34/724389634.db2.gz PLLZNLORYAYTPV-LBPRGKRZSA-N 0 3 357.347 3.491 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCc2ccc(O)cc2)c1[O-] ZINC000725847538 722424894 /nfs/dbraw/zinc/42/48/94/722424894.db2.gz BIMZJQWVJMNFML-UHFFFAOYSA-N 0 3 352.228 3.201 20 10 FGCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C(F)(F)F)c1 ZINC000793009987 723392372 /nfs/dbraw/zinc/39/23/72/723392372.db2.gz XZNZHXREOAKSGA-CYBMUJFWSA-N 0 3 357.420 3.260 20 10 FGCDHN CN1C(=O)C[C@H](NCc2ccc3c(c2)CCO3)[C@H]1c1ccc(Cl)cc1 ZINC000768652412 723664294 /nfs/dbraw/zinc/66/42/94/723664294.db2.gz PPTGJLCZYWMEBW-FXAWDEMLSA-N 0 3 356.853 3.337 20 10 FGCDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000798963279 723980996 /nfs/dbraw/zinc/98/09/96/723980996.db2.gz BUXBCPFYYQWFQU-GOSISDBHSA-N 0 3 355.862 3.146 20 10 FGCDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000798963279 723980997 /nfs/dbraw/zinc/98/09/97/723980997.db2.gz BUXBCPFYYQWFQU-GOSISDBHSA-N 0 3 355.862 3.146 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500119 723996473 /nfs/dbraw/zinc/99/64/73/723996473.db2.gz WKSAJTFNKZSRPM-CRAIPNDOSA-N 0 3 353.938 3.360 20 10 FGCDHN Cc1cc(Br)cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1[O-] ZINC000775694682 724026366 /nfs/dbraw/zinc/02/63/66/724026366.db2.gz OAEMKEZNVYJXAE-UHFFFAOYSA-N 0 3 370.287 3.438 20 10 FGCDHN CC(C)CN(CC(F)(F)F)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834414 724069577 /nfs/dbraw/zinc/06/95/77/724069577.db2.gz NVRJUTJQTQWLBI-AWEZNQCLSA-N 0 3 359.436 3.450 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1[O-] ZINC000784643247 724869424 /nfs/dbraw/zinc/86/94/24/724869424.db2.gz JAIHHNDAKSXMAD-NEPJUHHUSA-N 0 3 358.276 3.458 20 10 FGCDHN C[C@H]1C[C@@H](NCc2ccc(S(C)(=O)=O)s2)c2c1c(F)ccc2O ZINC000786964624 725010485 /nfs/dbraw/zinc/01/04/85/725010485.db2.gz ZJHJYYSXWUVFTG-JOYOIKCWSA-N 0 3 355.456 3.334 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1[O-] ZINC000808680154 725213296 /nfs/dbraw/zinc/21/32/96/725213296.db2.gz CWHLQLLUGKFJMQ-KSSFIOAISA-N 0 3 370.946 3.213 20 10 FGCDHN CCCCNC(=O)OC[C@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000809690919 725258865 /nfs/dbraw/zinc/25/88/65/725258865.db2.gz FQLGSVQOORXIKW-MRXNPFEDSA-N 0 3 350.459 3.282 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000815148435 727045936 /nfs/dbraw/zinc/04/59/36/727045936.db2.gz WDHWUXQXIMBCIN-SECBINFHSA-N 0 3 353.216 3.115 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](CO)C2CCCCC2)c1[O-] ZINC000815150147 727046281 /nfs/dbraw/zinc/04/62/81/727046281.db2.gz PJOPQYWHCHIAFP-CQSZACIVSA-N 0 3 372.303 3.442 20 10 FGCDHN [O-]c1cc(Br)ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000824870223 729363119 /nfs/dbraw/zinc/36/31/19/729363119.db2.gz OFPMEPSOGSMDQE-AWEZNQCLSA-N 0 3 353.304 3.463 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)c([O-])c1 ZINC000825336947 729379238 /nfs/dbraw/zinc/37/92/38/729379238.db2.gz AXIIYUSNFSBPTC-KRWDZBQOSA-N 0 3 366.255 3.377 20 10 FGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)c1cccc(Br)c1 ZINC000840958079 730197372 /nfs/dbraw/zinc/19/73/72/730197372.db2.gz IEUSVBHRXHQVCD-INIZCTEOSA-N 0 3 354.219 3.459 20 10 FGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)c1cccc(Br)c1 ZINC000840958079 730197374 /nfs/dbraw/zinc/19/73/74/730197374.db2.gz IEUSVBHRXHQVCD-INIZCTEOSA-N 0 3 354.219 3.459 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000843044411 730573035 /nfs/dbraw/zinc/57/30/35/730573035.db2.gz BFVTVOXLNOSZTB-CZUORRHYSA-N 0 3 353.304 3.427 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1[O-] ZINC000848520408 731174764 /nfs/dbraw/zinc/17/47/64/731174764.db2.gz ITJQGCINGSUJAN-QMTHXVAHSA-N 0 3 357.292 3.154 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)c1[O-] ZINC000848530578 731176361 /nfs/dbraw/zinc/17/63/61/731176361.db2.gz BOKJMENFVABZJF-RYUDHWBXSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(N(C)C)CCC2)c1[O-] ZINC000848547082 731179217 /nfs/dbraw/zinc/17/92/17/731179217.db2.gz JITIVILNFSEKOT-NSHDSACASA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CC=CCC2)c1[O-] ZINC000848549852 731179707 /nfs/dbraw/zinc/17/97/07/731179707.db2.gz VYUXLQNEPBLSMH-LBPRGKRZSA-N 0 3 355.276 3.076 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1[O-] ZINC000850545546 731371507 /nfs/dbraw/zinc/37/15/07/731371507.db2.gz HBDLIVIYNPYCEN-PWSUYJOCSA-N 0 3 358.276 3.223 20 10 FGCDHN CCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000850553839 731372539 /nfs/dbraw/zinc/37/25/39/731372539.db2.gz DNOZLDQZYXQIPU-YPMHNXCESA-N 0 3 357.292 3.298 20 10 FGCDHN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853093279 731664411 /nfs/dbraw/zinc/66/44/11/731664411.db2.gz HRCAEFFAKLTCKF-AWEZNQCLSA-N 0 3 353.304 3.366 20 10 FGCDHN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])C1 ZINC000858470639 732218086 /nfs/dbraw/zinc/21/80/86/732218086.db2.gz KBRUTMDSJNOYCG-SKDRFNHKSA-N 0 3 370.243 3.076 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000858548309 732226106 /nfs/dbraw/zinc/22/61/06/732226106.db2.gz ULMGLCKAZCSPDJ-DUFXMDAXSA-N 0 3 356.260 3.381 20 10 FGCDHN [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[C@H]1C(F)(F)F ZINC000863646855 732989987 /nfs/dbraw/zinc/98/99/87/732989987.db2.gz QDGQZFOCDVCYMI-ZYHUDNBSSA-N 0 3 367.209 3.114 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000865783001 733269273 /nfs/dbraw/zinc/26/92/73/733269273.db2.gz JXXZHSCDCHDSJF-AWEZNQCLSA-N 0 3 363.479 3.088 20 10 FGCDHN COCCN(Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876547158 736112423 /nfs/dbraw/zinc/11/24/23/736112423.db2.gz JOZDFWZQEIADTP-UHFFFAOYSA-N 0 3 360.523 3.358 20 10 FGCDHN CCSc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000877439113 736219201 /nfs/dbraw/zinc/21/92/01/736219201.db2.gz VDXFAYJVWUUJDS-UHFFFAOYSA-N 0 3 357.523 3.445 20 10 FGCDHN Cc1cccc(O)c1CNCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000877481835 736225900 /nfs/dbraw/zinc/22/59/00/736225900.db2.gz UYBKXVSYJDKIJH-UHFFFAOYSA-N 0 3 373.396 3.413 20 10 FGCDHN COc1ccc(CNC[C@H](OC2CCCC2)C(F)(F)F)c(O)c1OC ZINC000895333260 742398550 /nfs/dbraw/zinc/39/85/50/742398550.db2.gz CAMMYJLZFCHNFP-AWEZNQCLSA-N 0 3 363.376 3.389 20 10 FGCDHN Cc1nc([C@@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)no1 ZINC000896236811 742519264 /nfs/dbraw/zinc/51/92/64/742519264.db2.gz IFMGYRXDBDQPJL-LLVKDONJSA-N 0 3 352.232 3.144 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1[O-] ZINC000922896720 759024525 /nfs/dbraw/zinc/02/45/25/759024525.db2.gz JKQQGVCHPWJMQS-LRDDRELGSA-N 0 3 370.287 3.458 20 10 FGCDHN COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779022748 724381422 /nfs/dbraw/zinc/38/14/22/724381422.db2.gz YRPJEIFQSLWTMD-DGCLKSJQSA-N 0 3 371.275 3.345 20 10 FGCDHN CC(C)c1noc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000091675323 494643369 /nfs/dbraw/zinc/64/33/69/494643369.db2.gz GTCXWWYBXSEWNT-UHFFFAOYSA-N 0 3 355.486 3.337 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1 ZINC000093009584 494806825 /nfs/dbraw/zinc/80/68/25/494806825.db2.gz ZVCOFFXCURWMGL-UHFFFAOYSA-N 0 3 372.465 3.395 20 10 FGCDHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000154770391 495723373 /nfs/dbraw/zinc/72/33/73/495723373.db2.gz BUOCRUPFQHTIOX-QURGRASLSA-N 0 3 353.426 3.061 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000171128866 495736145 /nfs/dbraw/zinc/73/61/45/495736145.db2.gz JUXWALJIODGGEA-UHFFFAOYSA-N 0 3 354.450 3.185 20 10 FGCDHN NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183109737 495838475 /nfs/dbraw/zinc/83/84/75/495838475.db2.gz SDJGVCQUWSFABK-KRWDZBQOSA-N 0 3 354.450 3.059 20 10 FGCDHN NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183109737 495838482 /nfs/dbraw/zinc/83/84/82/495838482.db2.gz SDJGVCQUWSFABK-KRWDZBQOSA-N 0 3 354.450 3.059 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000151592009 495887578 /nfs/dbraw/zinc/88/75/78/495887578.db2.gz WOSIQQXHSMEEHU-MRXNPFEDSA-N 0 3 368.477 3.475 20 10 FGCDHN CC(=O)Nc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000155414063 495950197 /nfs/dbraw/zinc/95/01/97/495950197.db2.gz RRNQUFOYNRDQDN-MRXNPFEDSA-N 0 3 353.466 3.332 20 10 FGCDHN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183446744 495987883 /nfs/dbraw/zinc/98/78/83/495987883.db2.gz XOSLIAOVLCFOJI-OAHLLOKOSA-N 0 3 362.495 3.071 20 10 FGCDHN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000161169704 496118796 /nfs/dbraw/zinc/11/87/96/496118796.db2.gz ZDFLHENVOBFSTA-MRXNPFEDSA-N 0 3 368.481 3.154 20 10 FGCDHN COc1ccc([C@@H](CO)N(C)Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000184694118 496495658 /nfs/dbraw/zinc/49/56/58/496495658.db2.gz RTLIXCYGCCBBLW-MRXNPFEDSA-N 0 3 351.830 3.228 20 10 FGCDHN COc1ccc(N2CCC(N[C@H](C)c3nnc4ccccn43)CC2)cc1 ZINC000164125685 496587395 /nfs/dbraw/zinc/58/73/95/496587395.db2.gz JQVDXHXGUIHBSZ-OAHLLOKOSA-N 0 3 351.454 3.058 20 10 FGCDHN C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000185086988 496654820 /nfs/dbraw/zinc/65/48/20/496654820.db2.gz HJVDJUOQOSLVRQ-CQSZACIVSA-N 0 3 351.443 3.187 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c1 ZINC000185132482 496674196 /nfs/dbraw/zinc/67/41/96/496674196.db2.gz XFJSYVYPMMRGSQ-IRXDYDNUSA-N 0 3 370.493 3.472 20 10 FGCDHN C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185165729 496688736 /nfs/dbraw/zinc/68/87/36/496688736.db2.gz SYVRLCJWYYKPJE-CQSZACIVSA-N 0 3 360.889 3.043 20 10 FGCDHN COc1ccc([O-])c(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000182231300 496715291 /nfs/dbraw/zinc/71/52/91/496715291.db2.gz IXZVREARZYYYNA-UHFFFAOYSA-N 0 3 359.813 3.437 20 10 FGCDHN CCN1CCN(c2cccc(NCc3cc(OC)c(OC)cc3O)c2)CC1 ZINC000191884324 496919623 /nfs/dbraw/zinc/91/96/23/496919623.db2.gz UDRRCPYDVNNMLB-UHFFFAOYSA-N 0 3 371.481 3.163 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000277978874 496958964 /nfs/dbraw/zinc/95/89/64/496958964.db2.gz TVUFMBSECKQYBK-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1C ZINC000274022598 496994868 /nfs/dbraw/zinc/99/48/68/496994868.db2.gz FJYZXCADZCEGRG-MRXNPFEDSA-N 0 3 374.506 3.400 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1[O-] ZINC000278108127 497007373 /nfs/dbraw/zinc/00/73/73/497007373.db2.gz AXJGQADFMWWWJD-UKRRQHHQSA-N 0 3 350.459 3.278 20 10 FGCDHN CCCOc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c([O-])c1 ZINC000264938956 497013970 /nfs/dbraw/zinc/01/39/70/497013970.db2.gz FIOVSAGIBVAKAN-UHFFFAOYSA-N 0 3 372.465 3.424 20 10 FGCDHN COc1c([O-])c(CNCc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278534995 497146118 /nfs/dbraw/zinc/14/61/18/497146118.db2.gz VYVUEIWKWLHISG-UHFFFAOYSA-N 0 3 371.437 3.195 20 10 FGCDHN C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)ccc1[O-] ZINC000279017255 497304835 /nfs/dbraw/zinc/30/48/35/497304835.db2.gz UKKLQRNKLJAYBS-NWDGAFQWSA-N 0 3 350.260 3.264 20 10 FGCDHN CCOc1ccc(O)c(CN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000271307465 497316832 /nfs/dbraw/zinc/31/68/32/497316832.db2.gz QKVJOTXXOISNLZ-INIZCTEOSA-N 0 3 366.255 3.377 20 10 FGCDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000275707945 497409646 /nfs/dbraw/zinc/40/96/46/497409646.db2.gz UBLMRHVQFKQMIH-DENIHFKCSA-N 0 3 373.541 3.072 20 10 FGCDHN COc1cc([O-])c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000272150321 497549548 /nfs/dbraw/zinc/54/95/48/497549548.db2.gz ZYVCSYGWPVXWPE-OAQYLSRUSA-N 0 3 371.433 3.422 20 10 FGCDHN Cc1cccc(CN[C@@](C)(CO)c2ccc(Br)cc2)c1O ZINC000289245577 498075221 /nfs/dbraw/zinc/07/52/21/498075221.db2.gz DXMGSYFWYPMKKA-KRWDZBQOSA-N 0 3 350.256 3.460 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000285435262 498083035 /nfs/dbraw/zinc/08/30/35/498083035.db2.gz YTPMCXBUBNZLLS-HNNXBMFYSA-N 0 3 359.445 3.231 20 10 FGCDHN COC1CCN(c2ccc(CN3CCS[C@H]4COCC[C@@H]43)cc2)CC1 ZINC000296685545 498152375 /nfs/dbraw/zinc/15/23/75/498152375.db2.gz CAXRCMZOZUCFNJ-PMACEKPBSA-N 0 3 362.539 3.008 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]C1(Cc3ccc(F)cc3)CCOCC1)OCO2 ZINC000292830354 498163024 /nfs/dbraw/zinc/16/30/24/498163024.db2.gz ANNSEMOBTMLSAT-UHFFFAOYSA-N 0 3 359.397 3.142 20 10 FGCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000285992328 498261116 /nfs/dbraw/zinc/26/11/16/498261116.db2.gz HBVOAYVHHUOFPE-FHWLQOOXSA-N 0 3 350.478 3.340 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccc(F)cc1[O-] ZINC000286237482 498334827 /nfs/dbraw/zinc/33/48/27/498334827.db2.gz TVPBFBOTKTYDOF-IBGZPJMESA-N 0 3 373.472 3.064 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000287447471 498758931 /nfs/dbraw/zinc/75/89/31/498758931.db2.gz UWCOQPFWXMQEPH-NSHDSACASA-N 0 3 354.248 3.101 20 10 FGCDHN COc1ccc([C@H](O)C2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000291155829 498820329 /nfs/dbraw/zinc/82/03/29/498820329.db2.gz BSSWRSJDGFPITD-NRFANRHFSA-N 0 3 371.433 3.075 20 10 FGCDHN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CCN(C)CC2)cc1 ZINC000299083444 498961244 /nfs/dbraw/zinc/96/12/44/498961244.db2.gz RQCNUPSMBRDRKA-UHFFFAOYSA-N 0 3 370.497 3.152 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1[O-] ZINC000366690728 499035470 /nfs/dbraw/zinc/03/54/70/499035470.db2.gz QDCFHMGVUWQBFR-JKSUJKDBSA-N 0 3 352.862 3.030 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1[O-] ZINC000366690728 499035472 /nfs/dbraw/zinc/03/54/72/499035472.db2.gz QDCFHMGVUWQBFR-JKSUJKDBSA-N 0 3 352.862 3.030 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000364057797 499103463 /nfs/dbraw/zinc/10/34/63/499103463.db2.gz QVAJZCMDAAXUFU-IRXDYDNUSA-N 0 3 370.287 3.458 20 10 FGCDHN CN(C(=O)c1ccc(NCc2ccccc2O)cc1)[C@@H]1CCCN(C)C1 ZINC000367041204 499138239 /nfs/dbraw/zinc/13/82/39/499138239.db2.gz SJHLOPVHIZJYPU-LJQANCHMSA-N 0 3 353.466 3.171 20 10 FGCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000372854523 499184996 /nfs/dbraw/zinc/18/49/96/499184996.db2.gz DSDLZPMJRHAVQB-UWJYYQICSA-N 0 3 353.510 3.003 20 10 FGCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000372854523 499184999 /nfs/dbraw/zinc/18/49/99/499184999.db2.gz DSDLZPMJRHAVQB-UWJYYQICSA-N 0 3 353.510 3.003 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377891 499191525 /nfs/dbraw/zinc/19/15/25/499191525.db2.gz MWDYWGGWJKFZHT-GJZGRUSLSA-N 0 3 358.438 3.197 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377891 499191527 /nfs/dbraw/zinc/19/15/27/499191527.db2.gz MWDYWGGWJKFZHT-GJZGRUSLSA-N 0 3 358.438 3.197 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000367547719 499211210 /nfs/dbraw/zinc/21/12/10/499211210.db2.gz ZWIJQDJUDFAHQG-KXBFYZLASA-N 0 3 360.479 3.304 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Br)cc(F)c1[O-] ZINC000370400016 499216977 /nfs/dbraw/zinc/21/69/77/499216977.db2.gz WRTNWFORRGHUIB-KWQFWETISA-N 0 3 354.223 3.225 20 10 FGCDHN COc1ccc(N2CCC(N(C)C(=O)C[C@H](N)c3ccccc3)CC2)cc1 ZINC000370861334 499263557 /nfs/dbraw/zinc/26/35/57/499263557.db2.gz MIRVPCBVIHTQGO-NRFANRHFSA-N 0 3 367.493 3.213 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1[O-] ZINC000368374237 499290072 /nfs/dbraw/zinc/29/00/72/499290072.db2.gz KDQUINNHLIEPGK-RDJZCZTQSA-N 0 3 356.470 3.358 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000368753788 499328118 /nfs/dbraw/zinc/32/81/18/499328118.db2.gz MCMHZWXEPROYHM-JDFRZJQESA-N 0 3 370.287 3.452 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000368810354 499335130 /nfs/dbraw/zinc/33/51/30/499335130.db2.gz NLTZCOIHORTJLY-HNNXBMFYSA-N 0 3 372.440 3.449 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1[O-] ZINC000369591952 499423673 /nfs/dbraw/zinc/42/36/73/499423673.db2.gz PAOIXIJPZJCNJC-CXAGYDPISA-N 0 3 361.511 3.166 20 10 FGCDHN CC[N@@H+]1CCc2c(cccc2NCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000373056260 499449238 /nfs/dbraw/zinc/44/92/38/499449238.db2.gz ZZBRGPNTAJVCNK-UHFFFAOYSA-N 0 3 357.410 3.299 20 10 FGCDHN CC[N@H+]1CCc2c(cccc2NCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000373056260 499449239 /nfs/dbraw/zinc/44/92/39/499449239.db2.gz ZZBRGPNTAJVCNK-UHFFFAOYSA-N 0 3 357.410 3.299 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000373600494 499479127 /nfs/dbraw/zinc/47/91/27/499479127.db2.gz DBDHMHJXZQJQHH-SFHVURJKSA-N 0 3 360.479 3.273 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000373600494 499479128 /nfs/dbraw/zinc/47/91/28/499479128.db2.gz DBDHMHJXZQJQHH-SFHVURJKSA-N 0 3 360.479 3.273 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000376061531 499579951 /nfs/dbraw/zinc/57/99/51/499579951.db2.gz IWPVSUKTPDGLQO-ZLENFMNRSA-N 0 3 359.426 3.232 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000377628121 499712810 /nfs/dbraw/zinc/71/28/10/499712810.db2.gz NEMZKLLPRMBOSE-YIONKMFJSA-N 0 3 369.303 3.220 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000377628121 499712811 /nfs/dbraw/zinc/71/28/11/499712811.db2.gz NEMZKLLPRMBOSE-YIONKMFJSA-N 0 3 369.303 3.220 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000472239900 502281692 /nfs/dbraw/zinc/28/16/92/502281692.db2.gz MSCBRFXZTZRBNV-FUHWJXTLSA-N 0 3 354.498 3.112 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000472239902 502281967 /nfs/dbraw/zinc/28/19/67/502281967.db2.gz MSCBRFXZTZRBNV-SJLPKXTDSA-N 0 3 354.498 3.112 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(CCN(C)C)C3CC3)ccc21 ZINC000505662213 502962133 /nfs/dbraw/zinc/96/21/33/502962133.db2.gz OSTRRKWJAXVAPG-UHFFFAOYSA-N 0 3 357.498 3.071 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c1[O-] ZINC000130375719 700800521 /nfs/dbraw/zinc/80/05/21/700800521.db2.gz JCAJMVMWBQJGFL-GXFFZTMASA-N 0 3 370.243 3.358 20 10 FGCDHN [O-]c1c(Br)cccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000134038494 704810730 /nfs/dbraw/zinc/81/07/30/704810730.db2.gz WILUKCSXVLVAKW-UHFFFAOYSA-N 0 3 353.304 3.463 20 10 FGCDHN C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C[C@H]1n1ccnc1 ZINC000246893570 713632247 /nfs/dbraw/zinc/63/22/47/713632247.db2.gz UDGPHXLTGYGNNT-IUODEOHRSA-N 0 3 350.260 3.434 20 10 FGCDHN C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C[C@H]1n1ccnc1 ZINC000246893570 713632250 /nfs/dbraw/zinc/63/22/50/713632250.db2.gz UDGPHXLTGYGNNT-IUODEOHRSA-N 0 3 350.260 3.434 20 10 FGCDHN CCOc1cccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1O ZINC000749926931 722748073 /nfs/dbraw/zinc/74/80/73/722748073.db2.gz QXSOXTDAGSFDLG-INIZCTEOSA-N 0 3 360.841 3.339 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000761198777 723132361 /nfs/dbraw/zinc/13/23/61/723132361.db2.gz UAYYMURQWDWFRH-CYBMUJFWSA-N 0 3 353.821 3.134 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c1[O-] ZINC000790483899 723145410 /nfs/dbraw/zinc/14/54/10/723145410.db2.gz AFVXSIPWAMNUQE-OAHLLOKOSA-N 0 3 371.319 3.373 20 10 FGCDHN CCN(CC)c1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1F ZINC000796515258 723641280 /nfs/dbraw/zinc/64/12/80/723641280.db2.gz RFMJOFAHRBFEER-UHFFFAOYSA-N 0 3 356.507 3.119 20 10 FGCDHN C[N@H+](CCCOc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440954 723657802 /nfs/dbraw/zinc/65/78/02/723657802.db2.gz BMGPLOLEUHBBRQ-SFHVURJKSA-N 0 3 363.841 3.372 20 10 FGCDHN C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440954 723657803 /nfs/dbraw/zinc/65/78/03/723657803.db2.gz BMGPLOLEUHBBRQ-SFHVURJKSA-N 0 3 363.841 3.372 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769196428 723679287 /nfs/dbraw/zinc/67/92/87/723679287.db2.gz WCHALUJBNQDXOU-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769196428 723679288 /nfs/dbraw/zinc/67/92/88/723679288.db2.gz WCHALUJBNQDXOU-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c1[O-] ZINC000776257376 724124438 /nfs/dbraw/zinc/12/44/38/724124438.db2.gz MHICMPGBANTPBJ-LBPRGKRZSA-N 0 3 372.303 3.442 20 10 FGCDHN Cc1cccc(NCC[NH2+]Cc2cc(Br)cc(C)c2[O-])n1 ZINC000777483273 724230507 /nfs/dbraw/zinc/23/05/07/724230507.db2.gz LODJTUIFAOOVCX-UHFFFAOYSA-N 0 3 350.260 3.368 20 10 FGCDHN C[C@@H]1C[C@@H](NCc2ccc(S(C)(=O)=O)s2)c2c1c(F)ccc2O ZINC000786964618 725010479 /nfs/dbraw/zinc/01/04/79/725010479.db2.gz ZJHJYYSXWUVFTG-BXKDBHETSA-N 0 3 355.456 3.334 20 10 FGCDHN CCOc1ccc(O)c(CN2CCCC[C@H]2COC(=O)NC(C)C)c1 ZINC000809721072 725262646 /nfs/dbraw/zinc/26/26/46/725262646.db2.gz SEACIVILCXNRHK-INIZCTEOSA-N 0 3 350.459 3.280 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@H](O)c2ccccc2)c1[O-] ZINC000809748816 725264615 /nfs/dbraw/zinc/26/46/15/725264615.db2.gz YSQQBEZYKLYZOM-HNNXBMFYSA-N 0 3 366.255 3.377 20 10 FGCDHN O=S1(=O)CC(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815619442 727086954 /nfs/dbraw/zinc/08/69/54/727086954.db2.gz NKKBTPXPDKDSDL-IBGZPJMESA-N 0 3 359.491 3.090 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824501922 729343682 /nfs/dbraw/zinc/34/36/82/729343682.db2.gz VLVIIBWBJFZVGZ-MRXNPFEDSA-N 0 3 368.246 3.295 20 10 FGCDHN CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccccc1[O-] ZINC000824544025 729346555 /nfs/dbraw/zinc/34/65/55/729346555.db2.gz SHNYRRZXHADTMK-AWEZNQCLSA-N 0 3 351.244 3.057 20 10 FGCDHN COc1cccc(CNc2cc(N(C)C)c(Br)cn2)c1O ZINC000825104316 729370981 /nfs/dbraw/zinc/37/09/81/729370981.db2.gz TXHHKHTZOVYBSM-UHFFFAOYSA-N 0 3 352.232 3.236 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263967 729376022 /nfs/dbraw/zinc/37/60/22/729376022.db2.gz XIGKAGLIQUIAAF-ZIAGYGMSSA-N 0 3 350.459 3.184 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1[O-] ZINC000827244468 729427509 /nfs/dbraw/zinc/42/75/09/729427509.db2.gz XLUXZMBSKWKGDD-OCCSQVGLSA-N 0 3 362.214 3.367 20 10 FGCDHN COc1cc(Cl)cc(CN[C@H]2CCN(C3CCCCC3)C2=O)c1O ZINC000827924430 729437252 /nfs/dbraw/zinc/43/72/52/729437252.db2.gz TVSIDDXDVBMPGB-HNNXBMFYSA-N 0 3 352.862 3.077 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)c1[O-] ZINC000827924430 729437253 /nfs/dbraw/zinc/43/72/53/729437253.db2.gz TVSIDDXDVBMPGB-HNNXBMFYSA-N 0 3 352.862 3.077 20 10 FGCDHN CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc([O-])c2Br)cc1 ZINC000841042033 730205330 /nfs/dbraw/zinc/20/53/30/730205330.db2.gz JMXLCUUSNQPOGV-HNNXBMFYSA-N 0 3 364.287 3.010 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846205696 730936188 /nfs/dbraw/zinc/93/61/88/730936188.db2.gz KBQOYPJFHSAISW-NWDGAFQWSA-N 0 3 367.287 3.125 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000848527661 731175539 /nfs/dbraw/zinc/17/55/39/731175539.db2.gz FEGPQXRRCYKWAT-WDMOLILDSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1[O-] ZINC000848532338 731176458 /nfs/dbraw/zinc/17/64/58/731176458.db2.gz FWBLPAWPUDSHSP-JRPNMDOOSA-N 0 3 369.303 3.297 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c1[O-] ZINC000848533135 731176954 /nfs/dbraw/zinc/17/69/54/731176954.db2.gz OGZSOHTYTBOBKQ-GVXVVHGQSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1[O-] ZINC000848535243 731177319 /nfs/dbraw/zinc/17/73/19/731177319.db2.gz FGMULXNBQQJJAV-SKDRFNHKSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1[O-] ZINC000848535795 731177676 /nfs/dbraw/zinc/17/76/76/731177676.db2.gz GWWWOMVRSABORY-IONNQARKSA-N 0 3 372.181 3.127 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2nnc(C)s2)c1[O-] ZINC000848550443 731179907 /nfs/dbraw/zinc/17/99/07/731179907.db2.gz MQVKTIBVWDLVPV-QMMMGPOBSA-N 0 3 372.288 3.217 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nccnc2C)c1[O-] ZINC000848552063 731180218 /nfs/dbraw/zinc/18/02/18/731180218.db2.gz ZLJXLSCOIJKFAL-SNVBAGLBSA-N 0 3 366.259 3.155 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)c1[O-] ZINC000848553297 731180630 /nfs/dbraw/zinc/18/06/30/731180630.db2.gz LQSDMTDCDGYWFH-LOWVWBTDSA-N 0 3 358.276 3.365 20 10 FGCDHN CS(=O)(=O)CC1(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000850345284 731345093 /nfs/dbraw/zinc/34/50/93/731345093.db2.gz RKNGXXLTRYVCJM-UHFFFAOYSA-N 0 3 359.491 3.364 20 10 FGCDHN Cc1cncc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000850552157 731372405 /nfs/dbraw/zinc/37/24/05/731372405.db2.gz XJOYHLWUJQISMB-LBPRGKRZSA-N 0 3 350.260 3.455 20 10 FGCDHN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)s1 ZINC000852773833 731633896 /nfs/dbraw/zinc/63/38/96/731633896.db2.gz GWFHTCXMLMLKIK-OAHLLOKOSA-N 0 3 359.495 3.375 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(CCO)(CCO)CC2)cc1F ZINC000877692354 736706494 /nfs/dbraw/zinc/70/64/94/736706494.db2.gz YUPSLYKFTAUDSK-UHFFFAOYSA-N 0 3 352.494 3.019 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1[O-] ZINC000922896722 759024276 /nfs/dbraw/zinc/02/42/76/759024276.db2.gz JKQQGVCHPWJMQS-MLGOLLRUSA-N 0 3 370.287 3.458 20 10 FGCDHN COc1cc(Br)cc(CNCc2cccc3c2OCC3)c1O ZINC000922945437 759034479 /nfs/dbraw/zinc/03/44/79/759034479.db2.gz XGRGFKBBHPAWIC-UHFFFAOYSA-N 0 3 364.239 3.388 20 10 FGCDHN CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000926910882 759846195 /nfs/dbraw/zinc/84/61/95/759846195.db2.gz WYYDEZPWYOFIJX-ZDUSSCGKSA-N 0 3 351.443 3.218 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOC2CCOCC2)c1[O-] ZINC000927080823 759887446 /nfs/dbraw/zinc/88/74/46/759887446.db2.gz WYAACLKPKHPHKR-LBPRGKRZSA-N 0 3 358.276 3.309 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000779052501 724384702 /nfs/dbraw/zinc/38/47/02/724384702.db2.gz RESXHTKHXIZHQV-LRDDRELGSA-N 0 3 372.303 3.291 20 10 FGCDHN CC(=O)Nc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121304922 494691516 /nfs/dbraw/zinc/69/15/16/494691516.db2.gz KFGRSTVPKKHKPS-UHFFFAOYSA-N 0 3 353.466 3.114 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)NC3CCN(C4CC4)CC3)cc2)CC1 ZINC000108444228 494709083 /nfs/dbraw/zinc/70/90/83/494709083.db2.gz PECWUUICTDNYCG-UHFFFAOYSA-N 0 3 370.541 3.349 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000092145354 494799491 /nfs/dbraw/zinc/79/94/91/494799491.db2.gz PRRUTVMMOUKTIQ-UHFFFAOYSA-N 0 3 360.498 3.261 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000092145354 494799495 /nfs/dbraw/zinc/79/94/95/494799495.db2.gz PRRUTVMMOUKTIQ-UHFFFAOYSA-N 0 3 360.498 3.261 20 10 FGCDHN CC[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000130498353 495400805 /nfs/dbraw/zinc/40/08/05/495400805.db2.gz DJBZHMHNKQMAQK-NRFANRHFSA-N 0 3 367.541 3.140 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000185654882 495664788 /nfs/dbraw/zinc/66/47/88/495664788.db2.gz GSMOEYPODWAOSR-CQSZACIVSA-N 0 3 356.470 3.127 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741586 495713542 /nfs/dbraw/zinc/71/35/42/495713542.db2.gz JBSCAPRFYLZTBJ-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741586 495713546 /nfs/dbraw/zinc/71/35/46/495713546.db2.gz JBSCAPRFYLZTBJ-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(O)c(CN2CCC([C@H](O)c3ccccc3)CC2)cc1OC ZINC000159786257 495809017 /nfs/dbraw/zinc/80/90/17/495809017.db2.gz SUSSZPMSYDMVDH-OAQYLSRUSA-N 0 3 357.450 3.355 20 10 FGCDHN CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3[O-])C2)ncn1 ZINC000186023667 495824978 /nfs/dbraw/zinc/82/49/78/495824978.db2.gz WIUWQDGQJCSOLC-GOEBONIOSA-N 0 3 356.470 3.073 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190824 495890274 /nfs/dbraw/zinc/89/02/74/495890274.db2.gz ASSASIBSGQDZBR-NVXWUHKLSA-N 0 3 354.450 3.100 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000183428529 495979032 /nfs/dbraw/zinc/97/90/32/495979032.db2.gz BFIDACRQIXTPOT-CABCVRRESA-N 0 3 354.450 3.461 20 10 FGCDHN COc1cccc(C[NH2+]CCCc2nnc(SC)n2CC(C)C)c1[O-] ZINC000177558883 496111367 /nfs/dbraw/zinc/11/13/67/496111367.db2.gz GMFQMLWOERGCCW-UHFFFAOYSA-N 0 3 364.515 3.093 20 10 FGCDHN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC000180848262 496169432 /nfs/dbraw/zinc/16/94/32/496169432.db2.gz DLOKMMJPZIAAPW-MXFAVLBMSA-N 0 3 366.461 3.280 20 10 FGCDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161424266 496173371 /nfs/dbraw/zinc/17/33/71/496173371.db2.gz OALYALJWXMIWFH-HUUCEWRRSA-N 0 3 361.511 3.073 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000178209155 496371249 /nfs/dbraw/zinc/37/12/49/496371249.db2.gz REKPXOWTOAIGNR-HNNXBMFYSA-N 0 3 372.440 3.284 20 10 FGCDHN COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000181730291 496521580 /nfs/dbraw/zinc/52/15/80/496521580.db2.gz ZZQFFNIHCHIOIP-UHFFFAOYSA-N 0 3 368.477 3.033 20 10 FGCDHN C[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000163703398 496548122 /nfs/dbraw/zinc/54/81/22/496548122.db2.gz YXYXVYMHOKHQTO-SFHVURJKSA-N 0 3 353.510 3.436 20 10 FGCDHN CCN(CC)c1ccc(CNCc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185079981 496650215 /nfs/dbraw/zinc/65/02/15/496650215.db2.gz YLAYDKWOGVZSBA-UHFFFAOYSA-N 0 3 372.488 3.193 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000185131762 496674334 /nfs/dbraw/zinc/67/43/34/496674334.db2.gz HTOZGTLCEYBKIN-VBKZILBWSA-N 0 3 370.449 3.369 20 10 FGCDHN Cc1ccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c([O-])c1O ZINC000182310234 496729165 /nfs/dbraw/zinc/72/91/65/496729165.db2.gz ZXTYQDSLEXFLTQ-UHFFFAOYSA-N 0 3 368.477 3.390 20 10 FGCDHN Cc1ccc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([O-])c1O ZINC000182310234 496729166 /nfs/dbraw/zinc/72/91/66/496729166.db2.gz ZXTYQDSLEXFLTQ-UHFFFAOYSA-N 0 3 368.477 3.390 20 10 FGCDHN Cc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c(C)n1-c1ccccn1 ZINC000264559609 496929402 /nfs/dbraw/zinc/92/94/02/496929402.db2.gz FJTGEMWKOGKDML-GOSISDBHSA-N 0 3 352.482 3.190 20 10 FGCDHN Cc1ccc([C@@H](C)NCc2cnc(N3CCOCC3)c(F)c2)c(O)c1C ZINC000274331105 497072392 /nfs/dbraw/zinc/07/23/92/497072392.db2.gz ZYCIRWHIAXCKNE-OAHLLOKOSA-N 0 3 359.445 3.231 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248713391 497085171 /nfs/dbraw/zinc/08/51/71/497085171.db2.gz DHZNQJXGUNIKLC-IEBWSBKVSA-N 0 3 366.461 3.225 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248713391 497085176 /nfs/dbraw/zinc/08/51/76/497085176.db2.gz DHZNQJXGUNIKLC-IEBWSBKVSA-N 0 3 366.461 3.225 20 10 FGCDHN CC(C)(O)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000274760867 497158869 /nfs/dbraw/zinc/15/88/69/497158869.db2.gz GSDIFSQXLJOYBU-UHFFFAOYSA-N 0 3 358.457 3.180 20 10 FGCDHN CCOc1cccc(CN[C@@H](CO)c2ccc(Br)cc2)c1O ZINC000271314008 497317744 /nfs/dbraw/zinc/31/77/44/497317744.db2.gz RXKPSRRIAYAKIN-HNNXBMFYSA-N 0 3 366.255 3.377 20 10 FGCDHN CC(=O)NC1CCC([NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000271829831 497463305 /nfs/dbraw/zinc/46/33/05/497463305.db2.gz DTJBRFYAGDKZFI-UHFFFAOYSA-N 0 3 355.276 3.000 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000280660293 497847561 /nfs/dbraw/zinc/84/75/61/497847561.db2.gz SVAKSQUBTUWTCL-UHFFFAOYSA-N 0 3 368.275 3.320 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000284856002 497923152 /nfs/dbraw/zinc/92/31/52/497923152.db2.gz AHJJHRKAGFILCS-OAHLLOKOSA-N 0 3 368.543 3.252 20 10 FGCDHN O=C1CCCC(=O)N1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000364423491 497949867 /nfs/dbraw/zinc/94/98/67/497949867.db2.gz XEARHICJHFOTDW-UHFFFAOYSA-N 0 3 352.434 3.049 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282550475 498554948 /nfs/dbraw/zinc/55/49/48/498554948.db2.gz XDIHYMUQKNPVOB-GOEBONIOSA-N 0 3 355.438 3.358 20 10 FGCDHN Cn1cc([C@@H]2[C@H](C[NH2+]Cc3c([O-])ccc4ccccc43)CCCN2C)cn1 ZINC000363176195 498686791 /nfs/dbraw/zinc/68/67/91/498686791.db2.gz GMRVDHVEAZNQSI-JTSKRJEESA-N 0 3 364.493 3.452 20 10 FGCDHN Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c([O-])c1O ZINC000366305169 498866153 /nfs/dbraw/zinc/86/61/53/498866153.db2.gz PVLSRQZQIRHDAC-ZWKOTPCHSA-N 0 3 366.461 3.000 20 10 FGCDHN Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([O-])c1O ZINC000366305169 498866156 /nfs/dbraw/zinc/86/61/56/498866156.db2.gz PVLSRQZQIRHDAC-ZWKOTPCHSA-N 0 3 366.461 3.000 20 10 FGCDHN Cc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000288258442 498978275 /nfs/dbraw/zinc/97/82/75/498978275.db2.gz GJZBZBFHWSTOPH-YJBOKZPZSA-N 0 3 352.482 3.188 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000366690725 499035000 /nfs/dbraw/zinc/03/50/00/499035000.db2.gz QDCFHMGVUWQBFR-CVEARBPZSA-N 0 3 352.862 3.030 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000366690725 499035007 /nfs/dbraw/zinc/03/50/07/499035007.db2.gz QDCFHMGVUWQBFR-CVEARBPZSA-N 0 3 352.862 3.030 20 10 FGCDHN COc1ccc(N2CCC(NCc3cn4cccc(C)c4n3)CC2)cc1 ZINC000367413599 499196190 /nfs/dbraw/zinc/19/61/90/499196190.db2.gz UPAPOOJHEKZLOV-UHFFFAOYSA-N 0 3 350.466 3.410 20 10 FGCDHN CCC(=O)N1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000368618049 499314192 /nfs/dbraw/zinc/31/41/92/499314192.db2.gz TXKVAGHHTONPBZ-UHFFFAOYSA-N 0 3 368.477 3.416 20 10 FGCDHN COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000371422279 499324799 /nfs/dbraw/zinc/32/47/99/499324799.db2.gz DZYQMOHWGNSAEF-UWJYYQICSA-N 0 3 373.449 3.116 20 10 FGCDHN COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000371422279 499324801 /nfs/dbraw/zinc/32/48/01/499324801.db2.gz DZYQMOHWGNSAEF-UWJYYQICSA-N 0 3 373.449 3.116 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368795547 499333573 /nfs/dbraw/zinc/33/35/73/499333573.db2.gz PUYFRLXQIJSMDJ-UHFFFAOYSA-N 0 3 359.495 3.260 20 10 FGCDHN O=C(CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)N1CCOCC1 ZINC000368818637 499336239 /nfs/dbraw/zinc/33/62/39/499336239.db2.gz VNRBBBPCIMEBKC-UHFFFAOYSA-N 0 3 368.477 3.006 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371559399 499341956 /nfs/dbraw/zinc/34/19/56/499341956.db2.gz HSOBRNAETSFONX-IBGZPJMESA-N 0 3 372.509 3.406 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371567202 499342766 /nfs/dbraw/zinc/34/27/66/499342766.db2.gz YWDJXTKUCWBVFZ-SFHVURJKSA-N 0 3 358.482 3.015 20 10 FGCDHN COc1ccc(N2CCC(NCc3cn(C)nc3C(F)(F)F)CC2)cc1 ZINC000373143371 499453620 /nfs/dbraw/zinc/45/36/20/499453620.db2.gz WIFXBACTVJFCKG-UHFFFAOYSA-N 0 3 368.403 3.206 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000373185433 499456129 /nfs/dbraw/zinc/45/61/29/499456129.db2.gz IMPUTFXOGRVVJD-ACJLOTCBSA-N 0 3 361.511 3.166 20 10 FGCDHN COCCN(Cc1cc2c(cc1O)OCO2)[C@H]1CCCc2cccnc21 ZINC000373448027 499470198 /nfs/dbraw/zinc/47/01/98/499470198.db2.gz INNZPKVPLZHVOP-INIZCTEOSA-N 0 3 356.422 3.042 20 10 FGCDHN CC(=O)N1CC[C@H](NCc2ccc(N(C)C)c(F)c2)c2ccccc2C1 ZINC000378493058 499523722 /nfs/dbraw/zinc/52/37/22/499523722.db2.gz HRFJACARAUGJNE-FQEVSTJZSA-N 0 3 355.457 3.475 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000376505823 499613474 /nfs/dbraw/zinc/61/34/74/499613474.db2.gz MPIWYXLTGQGECL-SFHVURJKSA-N 0 3 358.482 3.014 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000377803576 499736568 /nfs/dbraw/zinc/73/65/68/499736568.db2.gz YAUUTHMJZYMGMV-ZYHUDNBSSA-N 0 3 350.260 3.394 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1[O-] ZINC000377803576 499736569 /nfs/dbraw/zinc/73/65/69/499736569.db2.gz YAUUTHMJZYMGMV-ZYHUDNBSSA-N 0 3 350.260 3.394 20 10 FGCDHN COCCc1noc(CC2CC[NH+](Cc3cc(C)c(C)cc3[O-])CC2)n1 ZINC000529638394 504750559 /nfs/dbraw/zinc/75/05/59/504750559.db2.gz BQRGLVYUCWBEOK-UHFFFAOYSA-N 0 3 359.470 3.036 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3CN(C)C)ccc21 ZINC000590818101 506978252 /nfs/dbraw/zinc/97/82/52/506978252.db2.gz HUHFXFQDBAWXGG-IBGZPJMESA-N 0 3 371.525 3.461 20 10 FGCDHN CC(C)[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(N(C)C)cc1 ZINC000824296672 608533585 /nfs/dbraw/zinc/53/35/85/608533585.db2.gz KEELIVHNAGVISJ-UHFFFAOYSA-N 0 3 356.499 3.405 20 10 FGCDHN CC(C)[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(N(C)C)cc1 ZINC000824296672 608533586 /nfs/dbraw/zinc/53/35/86/608533586.db2.gz KEELIVHNAGVISJ-UHFFFAOYSA-N 0 3 356.499 3.405 20 10 FGCDHN CC(C)[N@H+](Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(N(C)C)cc1 ZINC000824296672 608533587 /nfs/dbraw/zinc/53/35/87/608533587.db2.gz KEELIVHNAGVISJ-UHFFFAOYSA-N 0 3 356.499 3.405 20 10 FGCDHN CC(C)[N@@H+](Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(N(C)C)cc1 ZINC000824296672 608533588 /nfs/dbraw/zinc/53/35/88/608533588.db2.gz KEELIVHNAGVISJ-UHFFFAOYSA-N 0 3 356.499 3.405 20 10 FGCDHN CN(C)c1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825879277 608857151 /nfs/dbraw/zinc/85/71/51/608857151.db2.gz JYVWMQGKKNMKLX-UHFFFAOYSA-N 0 3 360.465 3.222 20 10 FGCDHN CN(C)c1ccc(C[N@@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000825879277 608857154 /nfs/dbraw/zinc/85/71/54/608857154.db2.gz JYVWMQGKKNMKLX-UHFFFAOYSA-N 0 3 360.465 3.222 20 10 FGCDHN Cc1cc(O)c(CN2CCN(c3ncnc4sccc43)CC2)cc1C ZINC000073586295 695970906 /nfs/dbraw/zinc/97/09/06/695970906.db2.gz HOBARIJLDVRPEQ-UHFFFAOYSA-N 0 3 354.479 3.336 20 10 FGCDHN CCOC(=O)CCCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866476 700364202 /nfs/dbraw/zinc/36/42/02/700364202.db2.gz CQRZBLXTTACWIP-UHFFFAOYSA-N 0 3 352.450 3.080 20 10 FGCDHN [O-]c1ccc(Br)cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683326 700452898 /nfs/dbraw/zinc/45/28/98/700452898.db2.gz DHGNSJQCRNKTNK-CQSZACIVSA-N 0 3 353.304 3.463 20 10 FGCDHN CC(C)(COc1ncccc1Br)[NH2+]Cc1ccccc1[O-] ZINC000120464866 700655160 /nfs/dbraw/zinc/65/51/60/700655160.db2.gz GLCZBIFCVDLLGP-UHFFFAOYSA-N 0 3 351.244 3.497 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)CCC2CCOCC2)c1[O-] ZINC000129626100 700790060 /nfs/dbraw/zinc/79/00/60/700790060.db2.gz KEUXVNHTZZCZHB-UHFFFAOYSA-N 0 3 358.276 3.412 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)CCC2CCOCC2)c1[O-] ZINC000129626100 700790062 /nfs/dbraw/zinc/79/00/62/700790062.db2.gz KEUXVNHTZZCZHB-UHFFFAOYSA-N 0 3 358.276 3.412 20 10 FGCDHN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000158575065 705191165 /nfs/dbraw/zinc/19/11/65/705191165.db2.gz SOLLHQOKDLLSQI-UONOGXRCSA-N 0 3 351.443 3.353 20 10 FGCDHN CCc1nsc(N2CCN(Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000173471102 705460412 /nfs/dbraw/zinc/46/04/12/705460412.db2.gz GWHQWVLWGVMDHP-UHFFFAOYSA-N 0 3 354.479 3.282 20 10 FGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000179562197 705705182 /nfs/dbraw/zinc/70/51/82/705705182.db2.gz WECYXTJTPOBANN-CQSZACIVSA-N 0 3 355.356 3.283 20 10 FGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000179562197 705705183 /nfs/dbraw/zinc/70/51/83/705705183.db2.gz WECYXTJTPOBANN-CQSZACIVSA-N 0 3 355.356 3.283 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc(F)ccc1[O-] ZINC000185855983 712703573 /nfs/dbraw/zinc/70/35/73/712703573.db2.gz HKCUOAINOSWBNT-PWSUYJOCSA-N 0 3 350.340 3.266 20 10 FGCDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(Br)cc(C)c2[O-])C1(C)C ZINC000783724345 724782176 /nfs/dbraw/zinc/78/21/76/724782176.db2.gz VEYNPLQEFRXEMA-WMLDXEAASA-N 0 3 372.303 3.119 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCSC[C@H]1CCO ZINC000753548549 722903810 /nfs/dbraw/zinc/90/38/10/722903810.db2.gz LXNYLJHFKVRAJJ-GOSISDBHSA-N 0 3 359.491 3.271 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000753548549 722903812 /nfs/dbraw/zinc/90/38/12/722903812.db2.gz LXNYLJHFKVRAJJ-GOSISDBHSA-N 0 3 359.491 3.271 20 10 FGCDHN C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000756601793 722967562 /nfs/dbraw/zinc/96/75/62/722967562.db2.gz BADPGFIOTVPZFW-YWZLYKJASA-N 0 3 360.885 3.333 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000791003799 723204365 /nfs/dbraw/zinc/20/43/65/723204365.db2.gz IHGQELSMGFYPCE-CQSZACIVSA-N 0 3 351.393 3.010 20 10 FGCDHN CN(C)c1ccc(CN2CCC[C@H](CCC(N)=O)C2)c(C(F)(F)F)c1 ZINC000792800196 723368987 /nfs/dbraw/zinc/36/89/87/723368987.db2.gz VQTQPUQCCUFHGL-CYBMUJFWSA-N 0 3 357.420 3.249 20 10 FGCDHN C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437963 723657488 /nfs/dbraw/zinc/65/74/88/723657488.db2.gz LGUHRJAVIKDQQY-INIZCTEOSA-N 0 3 353.340 3.469 20 10 FGCDHN C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437963 723657489 /nfs/dbraw/zinc/65/74/89/723657489.db2.gz LGUHRJAVIKDQQY-INIZCTEOSA-N 0 3 353.340 3.469 20 10 FGCDHN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043638 723775267 /nfs/dbraw/zinc/77/52/67/723775267.db2.gz DTJQERZUDPJLFH-WMLDXEAASA-N 0 3 364.486 3.416 20 10 FGCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCc2sccc2C1 ZINC000774486625 723899228 /nfs/dbraw/zinc/89/92/28/723899228.db2.gz WNRQDOGCSOBLSH-HUUCEWRRSA-N 0 3 357.523 3.438 20 10 FGCDHN COc1cccc(F)c1[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775021588 723953034 /nfs/dbraw/zinc/95/30/34/723953034.db2.gz PYKBUCGXFCOIQT-SNVBAGLBSA-N 0 3 350.346 3.308 20 10 FGCDHN COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775021588 723953036 /nfs/dbraw/zinc/95/30/36/723953036.db2.gz PYKBUCGXFCOIQT-SNVBAGLBSA-N 0 3 350.346 3.308 20 10 FGCDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000776812174 724185458 /nfs/dbraw/zinc/18/54/58/724185458.db2.gz QVUGLGHCLCMLSH-GDBMZVCRSA-N 0 3 350.459 3.138 20 10 FGCDHN Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000786580201 724989896 /nfs/dbraw/zinc/98/98/96/724989896.db2.gz YEOAILJBDKNQAL-QGZVFWFLSA-N 0 3 364.283 3.465 20 10 FGCDHN NC(=O)C[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000808226606 725188687 /nfs/dbraw/zinc/18/86/87/725188687.db2.gz GJXBPLPGABGBQM-LLVKDONJSA-N 0 3 363.255 3.005 20 10 FGCDHN NC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000808226606 725188688 /nfs/dbraw/zinc/18/86/88/725188688.db2.gz GJXBPLPGABGBQM-LLVKDONJSA-N 0 3 363.255 3.005 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1[O-] ZINC000809757387 725265607 /nfs/dbraw/zinc/26/56/07/725265607.db2.gz MIIIFUNDMPMWSK-INIZCTEOSA-N 0 3 358.276 3.290 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@]2(C)CCCO)c1[O-] ZINC000809757387 725265610 /nfs/dbraw/zinc/26/56/10/725265610.db2.gz MIIIFUNDMPMWSK-INIZCTEOSA-N 0 3 358.276 3.290 20 10 FGCDHN Cn1ncc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1Cl ZINC000815127027 727041852 /nfs/dbraw/zinc/04/18/52/727041852.db2.gz JQFFXTAFAIYMIZ-ZDUSSCGKSA-N 0 3 370.831 3.434 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000816642129 727184073 /nfs/dbraw/zinc/18/40/73/727184073.db2.gz QBBYRGVOSMOZPQ-QGZVFWFLSA-N 0 3 353.304 3.381 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000816642129 727184075 /nfs/dbraw/zinc/18/40/75/727184075.db2.gz QBBYRGVOSMOZPQ-QGZVFWFLSA-N 0 3 353.304 3.381 20 10 FGCDHN Cc1cnc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000834909386 729845632 /nfs/dbraw/zinc/84/56/32/729845632.db2.gz RADCZBGKNFQBQO-LBPRGKRZSA-N 0 3 350.260 3.455 20 10 FGCDHN [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000841099196 730211182 /nfs/dbraw/zinc/21/11/82/730211182.db2.gz HGTGQUYHQSGCRG-WBVHZDCISA-N 0 3 359.297 3.417 20 10 FGCDHN O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC000844742324 730760965 /nfs/dbraw/zinc/76/09/65/730760965.db2.gz UDRBXQZRAWWOSZ-OYMPBJRDSA-N 0 3 366.280 3.013 20 10 FGCDHN O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c([O-])ccc2cc(Br)ccc21 ZINC000844742324 730760970 /nfs/dbraw/zinc/76/09/70/730760970.db2.gz UDRBXQZRAWWOSZ-OYMPBJRDSA-N 0 3 366.280 3.013 20 10 FGCDHN COc1cccc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000846142837 730931812 /nfs/dbraw/zinc/93/18/12/730931812.db2.gz WMQQNFPZWBJDTE-LBPRGKRZSA-N 0 3 369.870 3.179 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)c1[O-] ZINC000848548373 731179374 /nfs/dbraw/zinc/17/93/74/731179374.db2.gz WHNBPCJDLWZUOY-WDMOLILDSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000848551318 731180127 /nfs/dbraw/zinc/18/01/27/731180127.db2.gz JPKAYTQVFHVRCO-GXSJLCMTSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnc(C)cn2)c1[O-] ZINC000848552129 731180135 /nfs/dbraw/zinc/18/01/35/731180135.db2.gz HTFMHADOFWDIAB-LLVKDONJSA-N 0 3 366.259 3.155 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1[O-] ZINC000850344217 731344600 /nfs/dbraw/zinc/34/46/00/731344600.db2.gz YBGNAYYEAVNXIN-ZDUSSCGKSA-N 0 3 357.292 3.126 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000858284332 732200256 /nfs/dbraw/zinc/20/02/56/732200256.db2.gz FTHBULGWQYRYDB-KGLIPLIRSA-N 0 3 350.459 3.278 20 10 FGCDHN C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862251028 732799337 /nfs/dbraw/zinc/79/93/37/732799337.db2.gz YXEHGMKGJSIIBV-CQSZACIVSA-N 0 3 353.304 3.318 20 10 FGCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862251028 732799342 /nfs/dbraw/zinc/79/93/42/732799342.db2.gz YXEHGMKGJSIIBV-CQSZACIVSA-N 0 3 353.304 3.318 20 10 FGCDHN CN(CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])CC(F)F ZINC000862549793 732849396 /nfs/dbraw/zinc/84/93/96/732849396.db2.gz FCODHLWBXVJGKW-UHFFFAOYSA-N 0 3 350.409 3.258 20 10 FGCDHN O=C(NC[C@H](c1cccs1)N1CCCC1)N1Cc2cccc(O)c2C1 ZINC000875003594 735952438 /nfs/dbraw/zinc/95/24/38/735952438.db2.gz CERKLNLXTVLMCN-MRXNPFEDSA-N 0 3 357.479 3.316 20 10 FGCDHN Cc1cccc([O-])c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000876726860 736137109 /nfs/dbraw/zinc/13/71/09/736137109.db2.gz AVWMLGXRVMRVDU-UHFFFAOYSA-N 0 3 350.260 3.497 20 10 FGCDHN Cc1ccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(O)c1 ZINC000877465282 736222322 /nfs/dbraw/zinc/22/23/22/736222322.db2.gz RHAJTKCYFZMDBB-UHFFFAOYSA-N 0 3 372.416 3.283 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000877728344 736710265 /nfs/dbraw/zinc/71/02/65/736710265.db2.gz CSPDEQWEWSQAPK-HNNXBMFYSA-N 0 3 370.287 3.138 20 10 FGCDHN NC(=O)C1CCN(c2ccc(CNCc3ccc(Cl)cc3)cc2)CC1 ZINC000886325561 739244069 /nfs/dbraw/zinc/24/40/69/739244069.db2.gz JQQAZXHRKBBDEU-UHFFFAOYSA-N 0 3 357.885 3.332 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1[O-] ZINC000886669646 739280296 /nfs/dbraw/zinc/28/02/96/739280296.db2.gz BODBWKGVSPJKCO-YUTCNCBUSA-N 0 3 358.276 3.044 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(F)F)o2)N(C)C)cc1 ZINC000891247259 739885906 /nfs/dbraw/zinc/88/59/06/739885906.db2.gz SECYMYSJVHMVSD-CQSZACIVSA-N 0 3 351.397 3.316 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2scnc2C2CC2)N(C)C)cc1 ZINC000891249731 739886562 /nfs/dbraw/zinc/88/65/62/739886562.db2.gz WBDIWBXXTWEHQL-MRXNPFEDSA-N 0 3 358.511 3.119 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]Cc2cc(C3CC3)nn2C)c1[O-] ZINC000897224022 742655554 /nfs/dbraw/zinc/65/55/54/742655554.db2.gz FDUWOQBIDDCCBW-UHFFFAOYSA-N 0 3 350.260 3.364 20 10 FGCDHN Cc1cc(Br)cc(CNCc2cc(C3CC3)nn2C)c1O ZINC000897224022 742655556 /nfs/dbraw/zinc/65/55/56/742655556.db2.gz FDUWOQBIDDCCBW-UHFFFAOYSA-N 0 3 350.260 3.364 20 10 FGCDHN Fc1cc(CN2CC[C@@H](Cc3nccs3)C2)ccc1N1CCOCC1 ZINC000898070867 742741531 /nfs/dbraw/zinc/74/15/31/742741531.db2.gz AMEJUQMDHOKARB-INIZCTEOSA-N 0 3 361.486 3.183 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1[O-] ZINC000779023940 724382120 /nfs/dbraw/zinc/38/21/20/724382120.db2.gz IDEGOPFORSAGOV-CHWSQXEVSA-N 0 3 358.276 3.167 20 10 FGCDHN CCN1CCC(n2nccc2NC(=O)c2ccc(C3=S=CC=C3)o2)CC1 ZINC000580002391 505659068 /nfs/dbraw/zinc/65/90/68/505659068.db2.gz WGLBZLFAMTWVFZ-UHFFFAOYSA-N 0 3 370.478 3.011 20 10 FGCDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090183246 494454042 /nfs/dbraw/zinc/45/40/42/494454042.db2.gz BHKVLKVSWMUCSI-HNNXBMFYSA-N 0 3 368.518 3.291 20 10 FGCDHN CN(C)c1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000092644425 494690539 /nfs/dbraw/zinc/69/05/39/494690539.db2.gz MYKSDHLBUNEVCL-UHFFFAOYSA-N 0 3 371.550 3.385 20 10 FGCDHN COc1cccc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000114772806 495423083 /nfs/dbraw/zinc/42/30/83/495423083.db2.gz BTYPFTYOKUDQNX-UHFFFAOYSA-N 0 3 359.813 3.437 20 10 FGCDHN CCc1cc(N2CCC([NH2+][C@H](C)c3cc(OC)ccc3[O-])CC2)ncn1 ZINC000185642665 495659577 /nfs/dbraw/zinc/65/95/77/495659577.db2.gz IEUOKTLVLCRFEC-CQSZACIVSA-N 0 3 356.470 3.073 20 10 FGCDHN CC(=O)N1CCCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182968338 495778971 /nfs/dbraw/zinc/77/89/71/495778971.db2.gz LULILCCSDXBYQF-UHFFFAOYSA-N 0 3 354.450 3.025 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(S(C)(=O)=O)cc1 ZINC000171379385 495846712 /nfs/dbraw/zinc/84/67/12/495846712.db2.gz VMEPQNQVQOKOKF-HNNXBMFYSA-N 0 3 358.507 3.323 20 10 FGCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)OCO2 ZINC000151548751 495875066 /nfs/dbraw/zinc/87/50/66/495875066.db2.gz UDJYFLINHDDJOE-AWEZNQCLSA-N 0 3 372.440 3.366 20 10 FGCDHN C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000186519987 496028889 /nfs/dbraw/zinc/02/88/89/496028889.db2.gz BWAUEVFOWSDREB-KSSFIOAISA-N 0 3 360.885 3.463 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000184685328 496492006 /nfs/dbraw/zinc/49/20/06/496492006.db2.gz PPEQFJGWHGUNEC-CYBMUJFWSA-N 0 3 354.878 3.038 20 10 FGCDHN C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187737284 496550924 /nfs/dbraw/zinc/55/09/24/496550924.db2.gz VSBXXQXKLKODFP-HNNXBMFYSA-N 0 3 367.484 3.271 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c1 ZINC000185010846 496621699 /nfs/dbraw/zinc/62/16/99/496621699.db2.gz GCTWPFQFVVLDKT-OAHLLOKOSA-N 0 3 354.450 3.374 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000185178710 496693412 /nfs/dbraw/zinc/69/34/12/496693412.db2.gz HYEPECAHMGDGMP-INIZCTEOSA-N 0 3 374.506 3.336 20 10 FGCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000185178710 496693417 /nfs/dbraw/zinc/69/34/17/496693417.db2.gz HYEPECAHMGDGMP-INIZCTEOSA-N 0 3 374.506 3.336 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c([O-])c1C ZINC000273363585 496784293 /nfs/dbraw/zinc/78/42/93/496784293.db2.gz DJKZPEBFCGISTP-RDJZCZTQSA-N 0 3 355.482 3.480 20 10 FGCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(O)c1C ZINC000273363585 496784299 /nfs/dbraw/zinc/78/42/99/496784299.db2.gz DJKZPEBFCGISTP-RDJZCZTQSA-N 0 3 355.482 3.480 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000273411845 496798423 /nfs/dbraw/zinc/79/84/23/496798423.db2.gz PVORXECRFAJPMB-AWEZNQCLSA-N 0 3 374.506 3.493 20 10 FGCDHN CC[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268846664 496801633 /nfs/dbraw/zinc/80/16/33/496801633.db2.gz JEOSLZQRGNOYPF-CLCXKQKWSA-N 0 3 360.477 3.414 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c([O-])c1 ZINC000273463009 496812474 /nfs/dbraw/zinc/81/24/74/496812474.db2.gz DDSAGWGHFMDBNZ-HUUCEWRRSA-N 0 3 362.495 3.363 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000271206250 497290375 /nfs/dbraw/zinc/29/03/75/497290375.db2.gz SEGMSTMUZVISCV-UHFFFAOYSA-N 0 3 360.498 3.452 20 10 FGCDHN COc1ncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000271775393 497445456 /nfs/dbraw/zinc/44/54/56/497445456.db2.gz GSKBZTDTWYWIIM-CQSZACIVSA-N 0 3 361.873 3.431 20 10 FGCDHN CC(C)N1CCN(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000271786994 497449050 /nfs/dbraw/zinc/44/90/50/497449050.db2.gz IKWGXVIUEIECGL-UHFFFAOYSA-N 0 3 351.922 3.036 20 10 FGCDHN CCOCc1cc(CN[C@H]2CCCO[C@@H]2c2nccn2CC)ccc1OC ZINC000190423368 497473413 /nfs/dbraw/zinc/47/34/13/497473413.db2.gz BAUKEGNROKXAQI-ICSRJNTNSA-N 0 3 373.497 3.458 20 10 FGCDHN CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(C)cc1O ZINC000279942876 497596761 /nfs/dbraw/zinc/59/67/61/497596761.db2.gz BHMIYIPPEOLELY-QGZVFWFLSA-N 0 3 362.495 3.192 20 10 FGCDHN C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cccc(O)c2[O-])CC1 ZINC000279983488 497609409 /nfs/dbraw/zinc/60/94/09/497609409.db2.gz LNCZJGZNFCXZDC-UHFFFAOYSA-N 0 3 369.465 3.128 20 10 FGCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(N3CCC(CO)CC3)cc1)CC2 ZINC000295877474 497838868 /nfs/dbraw/zinc/83/88/68/497838868.db2.gz HMJXRYFDMOWRHR-HXUWFJFHSA-N 0 3 352.478 3.378 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364261185 497867263 /nfs/dbraw/zinc/86/72/63/497867263.db2.gz VKLZAVMMCLYPJQ-ZDUSSCGKSA-N 0 3 369.303 3.283 20 10 FGCDHN CCCOc1ccc(CN[C@H](c2nccn2C)C2CCOCC2)c(O)c1 ZINC000284832260 497914434 /nfs/dbraw/zinc/91/44/34/497914434.db2.gz VWOFGTHFKCKXEK-IBGZPJMESA-N 0 3 359.470 3.172 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1OC ZINC000285222238 498024967 /nfs/dbraw/zinc/02/49/67/498024967.db2.gz UYFUAIGMKBBMEB-CEXWTWQISA-N 0 3 369.461 3.414 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1OC ZINC000285222238 498024974 /nfs/dbraw/zinc/02/49/74/498024974.db2.gz UYFUAIGMKBBMEB-CEXWTWQISA-N 0 3 369.461 3.414 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c([O-])c1 ZINC000285443062 498085600 /nfs/dbraw/zinc/08/56/00/498085600.db2.gz ZDCXPBVMLHLTOE-INIZCTEOSA-N 0 3 368.543 3.110 20 10 FGCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCCn1cc(Br)cn1)CC2 ZINC000296618172 498124996 /nfs/dbraw/zinc/12/49/96/498124996.db2.gz YYSHPXJFPZHQHM-CQSZACIVSA-N 0 3 350.260 3.409 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+](C)C2CCN(C3CCOCC3)CC2)c1[O-] ZINC000359958849 498231395 /nfs/dbraw/zinc/23/13/95/498231395.db2.gz LCISYDLOXMENHZ-UHFFFAOYSA-N 0 3 368.905 3.129 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c1[O-] ZINC000359958849 498231400 /nfs/dbraw/zinc/23/14/00/498231400.db2.gz LCISYDLOXMENHZ-UHFFFAOYSA-N 0 3 368.905 3.129 20 10 FGCDHN Cc1cnc(C)c(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000302171507 498426969 /nfs/dbraw/zinc/42/69/69/498426969.db2.gz UOSOMNFMIXNZAU-UHFFFAOYSA-N 0 3 351.498 3.238 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000579102501 506095192 /nfs/dbraw/zinc/09/51/92/506095192.db2.gz ISJHOOZNYHYZMP-MRXNPFEDSA-N 0 3 363.461 3.498 20 10 FGCDHN C[C@@H](CN(C)C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000287948636 498909621 /nfs/dbraw/zinc/90/96/21/498909621.db2.gz GPIZTDPZVRRGNT-INIZCTEOSA-N 0 3 358.486 3.008 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1[O-] ZINC000363850445 499024067 /nfs/dbraw/zinc/02/40/67/499024067.db2.gz HKDSESKUFSCNMY-WMLDXEAASA-N 0 3 366.440 3.379 20 10 FGCDHN COCC1(C[NH2+]Cc2ccccc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000284042741 499035925 /nfs/dbraw/zinc/03/59/25/499035925.db2.gz OUTDJXNQTYARCJ-UHFFFAOYSA-N 0 3 364.486 3.146 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000367319828 499180722 /nfs/dbraw/zinc/18/07/22/499180722.db2.gz XZADNSLAGNIRPR-RDJZCZTQSA-N 0 3 374.485 3.142 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000367319828 499180723 /nfs/dbraw/zinc/18/07/23/499180723.db2.gz XZADNSLAGNIRPR-RDJZCZTQSA-N 0 3 374.485 3.142 20 10 FGCDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(=O)[nH]n1 ZINC000367750402 499230697 /nfs/dbraw/zinc/23/06/97/499230697.db2.gz AOGKEVPYNSVZPF-LBPRGKRZSA-N 0 3 364.396 3.103 20 10 FGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000368228683 499275924 /nfs/dbraw/zinc/27/59/24/499275924.db2.gz YURGMCPINICNNF-MRXNPFEDSA-N 0 3 371.872 3.023 20 10 FGCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000369517942 499411580 /nfs/dbraw/zinc/41/15/80/499411580.db2.gz IKFPZHMVRLPDCA-DYESRHJHSA-N 0 3 362.433 3.391 20 10 FGCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000369517942 499411581 /nfs/dbraw/zinc/41/15/81/499411581.db2.gz IKFPZHMVRLPDCA-DYESRHJHSA-N 0 3 362.433 3.391 20 10 FGCDHN CCOc1cccc(C[N@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1[O-] ZINC000372409366 499431079 /nfs/dbraw/zinc/43/10/79/499431079.db2.gz DYZNNBHQKGFUKZ-UHFFFAOYSA-N 0 3 359.470 3.184 20 10 FGCDHN CCOc1cccc(C[N@@H+](C)C2CCN(Cc3cc(C)no3)CC2)c1[O-] ZINC000372409366 499431080 /nfs/dbraw/zinc/43/10/80/499431080.db2.gz DYZNNBHQKGFUKZ-UHFFFAOYSA-N 0 3 359.470 3.184 20 10 FGCDHN COc1ccc(N2CCC(NCc3ccnc(OC(F)F)c3)CC2)cc1 ZINC000375312315 499506311 /nfs/dbraw/zinc/50/63/11/499506311.db2.gz AUSMDNLMEXFYKE-UHFFFAOYSA-N 0 3 363.408 3.450 20 10 FGCDHN COc1ccc(O)c(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000378440705 499517036 /nfs/dbraw/zinc/51/70/36/499517036.db2.gz DMXKAQXTEKBBFI-HXUWFJFHSA-N 0 3 352.434 3.349 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c1 ZINC000378440705 499517037 /nfs/dbraw/zinc/51/70/37/499517037.db2.gz DMXKAQXTEKBBFI-HXUWFJFHSA-N 0 3 352.434 3.349 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c([O-])c1 ZINC000376015224 499576497 /nfs/dbraw/zinc/57/64/97/499576497.db2.gz QMZYKJYNFGOCPW-AVRDEDQJSA-N 0 3 368.477 3.490 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)CC[C@H]3C)ccc21 ZINC000498708901 503244042 /nfs/dbraw/zinc/24/40/42/503244042.db2.gz XQXZCZFXVFUNHV-OAHLLOKOSA-N 0 3 357.498 3.071 20 10 FGCDHN CN(C)c1ccc(C[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821589350 607004828 /nfs/dbraw/zinc/00/48/28/607004828.db2.gz KKCVXAMDMJVGJA-UHFFFAOYSA-N 0 3 366.444 3.236 20 10 FGCDHN CN(C)c1ccc(C[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821589350 607004830 /nfs/dbraw/zinc/00/48/30/607004830.db2.gz KKCVXAMDMJVGJA-UHFFFAOYSA-N 0 3 366.444 3.236 20 10 FGCDHN CN(C)c1ccc(C[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821589350 607004831 /nfs/dbraw/zinc/00/48/31/607004831.db2.gz KKCVXAMDMJVGJA-UHFFFAOYSA-N 0 3 366.444 3.236 20 10 FGCDHN CN(C)c1ccc(C[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821589350 607004833 /nfs/dbraw/zinc/00/48/33/607004833.db2.gz KKCVXAMDMJVGJA-UHFFFAOYSA-N 0 3 366.444 3.236 20 10 FGCDHN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000824293393 608531640 /nfs/dbraw/zinc/53/16/40/608531640.db2.gz KBHFGABTBHCVTG-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000824293393 608531642 /nfs/dbraw/zinc/53/16/42/608531642.db2.gz KBHFGABTBHCVTG-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000824293393 608531643 /nfs/dbraw/zinc/53/16/43/608531643.db2.gz KBHFGABTBHCVTG-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000824293393 608531645 /nfs/dbraw/zinc/53/16/45/608531645.db2.gz KBHFGABTBHCVTG-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN COc1cccc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000091935319 700429041 /nfs/dbraw/zinc/42/90/41/700429041.db2.gz OAPWCAQUUWEYLR-UHFFFAOYSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cccc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000091935319 700429043 /nfs/dbraw/zinc/42/90/43/700429043.db2.gz OAPWCAQUUWEYLR-UHFFFAOYSA-N 0 3 350.459 3.232 20 10 FGCDHN Cc1cc(O)c(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000174312785 705498035 /nfs/dbraw/zinc/49/80/35/705498035.db2.gz IDYRERVDRYUEBH-UHFFFAOYSA-N 0 3 353.871 3.226 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000373851482 713877108 /nfs/dbraw/zinc/87/71/08/713877108.db2.gz XSEZSXSOBSFJEL-CJNGLKHVSA-N 0 3 366.889 3.325 20 10 FGCDHN COCCO[C@@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000802652082 724397493 /nfs/dbraw/zinc/39/74/93/724397493.db2.gz KQHUUTWOYLVCNP-OAHLLOKOSA-N 0 3 358.276 3.091 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000727836725 722447975 /nfs/dbraw/zinc/44/79/75/722447975.db2.gz DNYAWYHFALKXKH-KRWDZBQOSA-N 0 3 355.356 3.331 20 10 FGCDHN CC(=O)c1cc(Cl)cc(CN2CCC(N(C)CC(F)F)CC2)c1O ZINC000750055149 722753177 /nfs/dbraw/zinc/75/31/77/722753177.db2.gz ODPVJNCPRMOSMA-UHFFFAOYSA-N 0 3 360.832 3.410 20 10 FGCDHN O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc([O-])cs1 ZINC000753502105 722901772 /nfs/dbraw/zinc/90/17/72/722901772.db2.gz BLVQANMKRRHGJR-BPQIPLTHSA-N 0 3 356.491 3.484 20 10 FGCDHN O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc([O-])cs1 ZINC000753502105 722901774 /nfs/dbraw/zinc/90/17/74/722901774.db2.gz BLVQANMKRRHGJR-BPQIPLTHSA-N 0 3 356.491 3.484 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000753572206 722905101 /nfs/dbraw/zinc/90/51/01/722905101.db2.gz VETMTIHZKIGZOH-OAHLLOKOSA-N 0 3 355.356 3.374 20 10 FGCDHN COC(=O)C[C@H]1CSCCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754742661 722945175 /nfs/dbraw/zinc/94/51/75/722945175.db2.gz WJBPJCSJBMXOQI-AWEZNQCLSA-N 0 3 367.511 3.179 20 10 FGCDHN C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000756601786 722967524 /nfs/dbraw/zinc/96/75/24/722967524.db2.gz BADPGFIOTVPZFW-FOIQADDNSA-N 0 3 360.885 3.333 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)c1ccccc1[O-] ZINC000760014604 723033787 /nfs/dbraw/zinc/03/37/87/723033787.db2.gz DREJUKZKBSZLBP-SFHVURJKSA-N 0 3 363.479 3.053 20 10 FGCDHN CN(C)c1ccc(CN2CCC[C@@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000792812877 723370200 /nfs/dbraw/zinc/37/02/00/723370200.db2.gz VWJSKVVKPJBRPM-CQSZACIVSA-N 0 3 358.404 3.356 20 10 FGCDHN CN(C)c1ccc(CNC(C)(C)C(=O)N2CCCC2)c(C(F)(F)F)c1 ZINC000793394820 723433780 /nfs/dbraw/zinc/43/37/80/723433780.db2.gz MMJULURMPCPQCD-UHFFFAOYSA-N 0 3 357.420 3.262 20 10 FGCDHN COc1cccc(CN[C@](C)(CO)c2ccc(Br)cc2)c1O ZINC000796468426 723638882 /nfs/dbraw/zinc/63/88/82/723638882.db2.gz CYLNXNHGTOTSSQ-QGZVFWFLSA-N 0 3 366.255 3.161 20 10 FGCDHN CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)cs1 ZINC000770506188 723715256 /nfs/dbraw/zinc/71/52/56/723715256.db2.gz XOTMPYNTQWSVQH-HNNXBMFYSA-N 0 3 361.511 3.264 20 10 FGCDHN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)cs1 ZINC000770506188 723715258 /nfs/dbraw/zinc/71/52/58/723715258.db2.gz XOTMPYNTQWSVQH-HNNXBMFYSA-N 0 3 361.511 3.264 20 10 FGCDHN CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)cs1 ZINC000770506189 723715335 /nfs/dbraw/zinc/71/53/35/723715335.db2.gz XOTMPYNTQWSVQH-OAHLLOKOSA-N 0 3 361.511 3.264 20 10 FGCDHN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)cs1 ZINC000770506189 723715337 /nfs/dbraw/zinc/71/53/37/723715337.db2.gz XOTMPYNTQWSVQH-OAHLLOKOSA-N 0 3 361.511 3.264 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000797140931 723786316 /nfs/dbraw/zinc/78/63/16/723786316.db2.gz OSIYMDREVXLTRF-JHJVBQTASA-N 0 3 362.499 3.428 20 10 FGCDHN Cc1cccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1O ZINC000775203503 723970738 /nfs/dbraw/zinc/97/07/38/723970738.db2.gz LHUZEGFKZIYUEY-UHFFFAOYSA-N 0 3 373.396 3.413 20 10 FGCDHN CC1CCN([C@H](CNC(=O)c2cccc(O)c2O)c2cccs2)CC1 ZINC000776318359 724131822 /nfs/dbraw/zinc/13/18/22/724131822.db2.gz WTLZJRQXIVRJMS-OAHLLOKOSA-N 0 3 360.479 3.362 20 10 FGCDHN C[NH+](C)CCCOc1cnccc1CNCc1c([O-])ccc(Cl)c1F ZINC000808442513 725201415 /nfs/dbraw/zinc/20/14/15/725201415.db2.gz GGAOCAHAPORDFT-UHFFFAOYSA-N 0 3 367.852 3.200 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@@H](O)c2ccccc2)c1[O-] ZINC000809748818 725264557 /nfs/dbraw/zinc/26/45/57/725264557.db2.gz YSQQBEZYKLYZOM-OAHLLOKOSA-N 0 3 366.255 3.377 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000818218807 727302015 /nfs/dbraw/zinc/30/20/15/727302015.db2.gz QRKQYPBCANUSMD-JKSUJKDBSA-N 0 3 350.459 3.182 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H](O)C(F)F ZINC000824635550 729352243 /nfs/dbraw/zinc/35/22/43/729352243.db2.gz HQMYJZABFZZXNO-SJLPKXTDSA-N 0 3 351.393 3.465 20 10 FGCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)c1ccccc1Br ZINC000825305680 729378088 /nfs/dbraw/zinc/37/80/88/729378088.db2.gz PSQYFVLFGHQBLY-MRXNPFEDSA-N 0 3 354.219 3.459 20 10 FGCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)c1ccccc1Br ZINC000825305680 729378089 /nfs/dbraw/zinc/37/80/89/729378089.db2.gz PSQYFVLFGHQBLY-MRXNPFEDSA-N 0 3 354.219 3.459 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1[O-] ZINC000826911373 729418740 /nfs/dbraw/zinc/41/87/40/729418740.db2.gz YKKMTKJSAXYTOC-CKNLXJGOSA-N 0 3 360.317 3.242 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)c1 ZINC000828667181 729446377 /nfs/dbraw/zinc/44/63/77/729446377.db2.gz NTXAJGLNAGCISW-ABAIWWIYSA-N 0 3 363.845 3.025 20 10 FGCDHN CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([O-])cs1 ZINC000831221434 729626337 /nfs/dbraw/zinc/62/63/37/729626337.db2.gz YVALLZLSFPJWBV-OAHLLOKOSA-N 0 3 360.479 3.286 20 10 FGCDHN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([O-])cs1 ZINC000831221434 729626338 /nfs/dbraw/zinc/62/63/38/729626338.db2.gz YVALLZLSFPJWBV-OAHLLOKOSA-N 0 3 360.479 3.286 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841087438 730209114 /nfs/dbraw/zinc/20/91/14/730209114.db2.gz NMTMPLFWHSLBOU-XJKSGUPXSA-N 0 3 353.304 3.427 20 10 FGCDHN [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000841103282 730211646 /nfs/dbraw/zinc/21/16/46/730211646.db2.gz FWMIUHMEJABLOU-GOEBONIOSA-N 0 3 359.297 3.417 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(Cl)cc1[O-] ZINC000841745761 730270102 /nfs/dbraw/zinc/27/01/02/730270102.db2.gz SQWMUZSRQYRFNN-AWEZNQCLSA-N 0 3 360.889 3.043 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1[O-] ZINC000842919966 730557032 /nfs/dbraw/zinc/55/70/32/730557032.db2.gz OEAKQYSWWKYPIJ-SJCJKPOMSA-N 0 3 372.303 3.291 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)NCc1cccs1 ZINC000843428181 730619987 /nfs/dbraw/zinc/61/99/87/730619987.db2.gz QXVVVUCCAZBMSW-CQSZACIVSA-N 0 3 368.886 3.300 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1[O-] ZINC000843429682 730620286 /nfs/dbraw/zinc/62/02/86/730620286.db2.gz ZNRSLIZPWSSLHF-MRXNPFEDSA-N 0 3 358.869 3.492 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1[O-] ZINC000843429682 730620288 /nfs/dbraw/zinc/62/02/88/730620288.db2.gz ZNRSLIZPWSSLHF-MRXNPFEDSA-N 0 3 358.869 3.492 20 10 FGCDHN COc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])cn1 ZINC000848519636 731174840 /nfs/dbraw/zinc/17/48/40/731174840.db2.gz SKLRMTBTLPWXEM-SNVBAGLBSA-N 0 3 367.243 3.418 20 10 FGCDHN COc1cc(Br)cc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000848525986 731175200 /nfs/dbraw/zinc/17/52/00/731175200.db2.gz SSQYXPYXPAFFHW-UWVGGRQHSA-N 0 3 373.291 3.117 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000848525986 731175202 /nfs/dbraw/zinc/17/52/02/731175202.db2.gz SSQYXPYXPAFFHW-UWVGGRQHSA-N 0 3 373.291 3.117 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)c1[O-] ZINC000848535046 731177101 /nfs/dbraw/zinc/17/71/01/731177101.db2.gz CLHYFNGJGFEOMP-MWLCHTKSSA-N 0 3 368.275 3.477 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN(C)CC(F)F)c1[O-] ZINC000858597760 732229960 /nfs/dbraw/zinc/22/99/60/732229960.db2.gz WKJKSILHTBJVRR-SNVBAGLBSA-N 0 3 351.235 3.311 20 10 FGCDHN O=c1oc2ccc(CNCc3ccc(N4CCSCC4)cc3)cc2o1 ZINC000882901158 737502348 /nfs/dbraw/zinc/50/23/48/737502348.db2.gz AOZSZVGXCDPCLI-UHFFFAOYSA-N 0 3 356.447 3.229 20 10 FGCDHN COc1ccc(CNCc2ccc(C(F)(F)F)nc2N(C)C)c(O)c1 ZINC000894186429 742250025 /nfs/dbraw/zinc/25/00/25/742250025.db2.gz WTOZOHGZBRVMPC-UHFFFAOYSA-N 0 3 355.360 3.170 20 10 FGCDHN COC(=O)c1sccc1CNC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000895007062 742363403 /nfs/dbraw/zinc/36/34/03/742363403.db2.gz XFADXQVYLIFHDI-AWEZNQCLSA-N 0 3 360.479 3.159 20 10 FGCDHN CCOC(=O)c1csc(CC2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC000895558835 742426569 /nfs/dbraw/zinc/42/65/69/742426569.db2.gz XNIUWZLUOROGTD-UHFFFAOYSA-N 0 3 360.479 3.480 20 10 FGCDHN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCN(C2CCCC2)CC1 ZINC000896499424 742559596 /nfs/dbraw/zinc/55/95/96/742559596.db2.gz OHLUULWJSOWMPU-UHFFFAOYSA-N 0 3 360.479 3.403 20 10 FGCDHN CN(C)CC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])c1cccnc1 ZINC000922632773 758966059 /nfs/dbraw/zinc/96/60/59/758966059.db2.gz VLRWSHJNVGNPKS-MRXNPFEDSA-N 0 3 364.287 3.332 20 10 FGCDHN [O-]c1ccccc1C[N@H+](CCOC1CCSCC1)C[C@@H]1CCCO1 ZINC000929970894 760503716 /nfs/dbraw/zinc/50/37/16/760503716.db2.gz LPEQAUKHNITINW-SFHVURJKSA-N 0 3 351.512 3.285 20 10 FGCDHN [O-]c1ccccc1C[N@@H+](CCOC1CCSCC1)C[C@@H]1CCCO1 ZINC000929970894 760503717 /nfs/dbraw/zinc/50/37/17/760503717.db2.gz LPEQAUKHNITINW-SFHVURJKSA-N 0 3 351.512 3.285 20 10 FGCDHN Cc1csc(N2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000092481766 494640240 /nfs/dbraw/zinc/64/02/40/494640240.db2.gz OUFATAPGQJRUKX-UHFFFAOYSA-N 0 3 372.538 3.000 20 10 FGCDHN CN(C)Cc1cccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000108691672 494764430 /nfs/dbraw/zinc/76/44/30/494764430.db2.gz BVHDFUWIWHKUHG-DHZHZOJOSA-N 0 3 365.477 3.237 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)c3ccoc3C)CC2)c1O ZINC000093010144 494807921 /nfs/dbraw/zinc/80/79/21/494807921.db2.gz CRKLVSHFABSVEI-UHFFFAOYSA-N 0 3 358.438 3.087 20 10 FGCDHN COc1ccc(N2CCCN(Cc3cc4ccccc4[nH]c3=O)CC2)cc1 ZINC000111204436 495049299 /nfs/dbraw/zinc/04/92/99/495049299.db2.gz QESYTOGVMOHYIV-UHFFFAOYSA-N 0 3 363.461 3.249 20 10 FGCDHN Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([O-])c1O ZINC000179527092 495629155 /nfs/dbraw/zinc/62/91/55/495629155.db2.gz FVAPPEBYRLRCHS-QGZVFWFLSA-N 0 3 354.450 3.000 20 10 FGCDHN Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([O-])c1O ZINC000179527092 495629158 /nfs/dbraw/zinc/62/91/58/495629158.db2.gz FVAPPEBYRLRCHS-QGZVFWFLSA-N 0 3 354.450 3.000 20 10 FGCDHN Cc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c([O-])c1O ZINC000182978382 495782367 /nfs/dbraw/zinc/78/23/67/495782367.db2.gz VDEVGOQRJQBYIW-UHFFFAOYSA-N 0 3 369.465 3.180 20 10 FGCDHN CC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000187173552 496325330 /nfs/dbraw/zinc/32/53/30/496325330.db2.gz WLFXBEGTTBSWFQ-GFCCVEGCSA-N 0 3 369.303 3.372 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000178209167 496371061 /nfs/dbraw/zinc/37/10/61/496371061.db2.gz REKPXOWTOAIGNR-OAHLLOKOSA-N 0 3 372.440 3.284 20 10 FGCDHN COc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cc1O ZINC000181377392 496372083 /nfs/dbraw/zinc/37/20/83/496372083.db2.gz VMJUSQROPAUEPJ-UHFFFAOYSA-N 0 3 352.228 3.467 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185049056 496636991 /nfs/dbraw/zinc/63/69/91/496636991.db2.gz AFVLCIFCORSCSK-DNVCBOLYSA-N 0 3 354.450 3.415 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(F)cc1[O-] ZINC000185084783 496652945 /nfs/dbraw/zinc/65/29/45/496652945.db2.gz TXDYBZKDJICQEV-INIZCTEOSA-N 0 3 357.473 3.130 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000273365471 496783843 /nfs/dbraw/zinc/78/38/43/496783843.db2.gz BGLJOIODRSMWKQ-LIRRHRJNSA-N 0 3 351.450 3.190 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c([O-])c1 ZINC000273374879 496787716 /nfs/dbraw/zinc/78/77/16/496787716.db2.gz HAVYDGAHJXKFIU-INIZCTEOSA-N 0 3 354.450 3.024 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000278372701 497091289 /nfs/dbraw/zinc/09/12/89/497091289.db2.gz ZSXXVPZNZBEOOR-HIFRSBDPSA-N 0 3 350.459 3.278 20 10 FGCDHN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c(C)n1-c1ccccn1 ZINC000261602967 497417403 /nfs/dbraw/zinc/41/74/03/497417403.db2.gz ASRAUZZDCZUJBS-VQTJNVASSA-N 0 3 360.461 3.056 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000279994401 497612736 /nfs/dbraw/zinc/61/27/36/497612736.db2.gz FOKMXRWQGMTLGE-LJQANCHMSA-N 0 3 374.506 3.481 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000277208092 497776465 /nfs/dbraw/zinc/77/64/65/497776465.db2.gz WIWMAPOALJPQFG-SNVBAGLBSA-N 0 3 357.834 3.439 20 10 FGCDHN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccccc1[O-] ZINC000277240640 497785970 /nfs/dbraw/zinc/78/59/70/497785970.db2.gz OEKIAGKQFLCWOR-MRXNPFEDSA-N 0 3 354.516 3.026 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000284853790 497923016 /nfs/dbraw/zinc/92/30/16/497923016.db2.gz AHJJHRKAGFILCS-HNNXBMFYSA-N 0 3 368.543 3.252 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000364449500 497962550 /nfs/dbraw/zinc/96/25/50/497962550.db2.gz USZVCQTVQUGHAJ-PHZGNYQRSA-N 0 3 362.470 3.421 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000364449500 497962558 /nfs/dbraw/zinc/96/25/58/497962558.db2.gz USZVCQTVQUGHAJ-PHZGNYQRSA-N 0 3 362.470 3.421 20 10 FGCDHN C[C@@](CO)([NH2+]Cc1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC000289715935 498261204 /nfs/dbraw/zinc/26/12/04/498261204.db2.gz PBZJXOQRWWXIES-INIZCTEOSA-N 0 3 354.219 3.291 20 10 FGCDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)/C=C/c1cnc2ccccc2n1 ZINC000365217655 498356387 /nfs/dbraw/zinc/35/63/87/498356387.db2.gz GFAVTZHYDFDNHL-RCMYXZNBSA-N 0 3 360.417 3.088 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1OC ZINC000282027156 498363319 /nfs/dbraw/zinc/36/33/19/498363319.db2.gz WIKIHQYTUHGQSD-OAHLLOKOSA-N 0 3 371.481 3.322 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1OC ZINC000282027156 498363325 /nfs/dbraw/zinc/36/33/25/498363325.db2.gz WIKIHQYTUHGQSD-OAHLLOKOSA-N 0 3 371.481 3.322 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000293540940 498408590 /nfs/dbraw/zinc/40/85/90/498408590.db2.gz GATKRTYTCPCGEP-IAGOWNOFSA-N 0 3 356.869 3.042 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000293540940 498408593 /nfs/dbraw/zinc/40/85/93/498408593.db2.gz GATKRTYTCPCGEP-IAGOWNOFSA-N 0 3 356.869 3.042 20 10 FGCDHN COc1cc(O)c(CN2CC[C@@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761924 498428201 /nfs/dbraw/zinc/42/82/01/498428201.db2.gz GDGSNEISWFRAMI-MRXNPFEDSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761924 498428207 /nfs/dbraw/zinc/42/82/07/498428207.db2.gz GDGSNEISWFRAMI-MRXNPFEDSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761924 498428212 /nfs/dbraw/zinc/42/82/12/498428212.db2.gz GDGSNEISWFRAMI-MRXNPFEDSA-N 0 3 353.422 3.206 20 10 FGCDHN CC[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000290372800 498527315 /nfs/dbraw/zinc/52/73/15/498527315.db2.gz RJHNVDUMYJSXDZ-GOSISDBHSA-N 0 3 361.461 3.498 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c([O-])c1 ZINC000283884520 499005893 /nfs/dbraw/zinc/00/58/93/499005893.db2.gz CGQKEJHCNHGOAW-IAGOWNOFSA-N 0 3 355.482 3.480 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000369910975 499150730 /nfs/dbraw/zinc/15/07/30/499150730.db2.gz WPORSPUQHLUPFA-HGQUKEQDSA-N 0 3 360.479 3.475 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000367357788 499187758 /nfs/dbraw/zinc/18/77/58/499187758.db2.gz YGBFXSLIFDFXMS-OAHLLOKOSA-N 0 3 370.497 3.469 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000367357788 499187761 /nfs/dbraw/zinc/18/77/61/499187761.db2.gz YGBFXSLIFDFXMS-OAHLLOKOSA-N 0 3 370.497 3.469 20 10 FGCDHN C[C@H](NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1ncc[nH]1 ZINC000367601280 499216664 /nfs/dbraw/zinc/21/66/64/499216664.db2.gz NHEYMTWLDAPTDI-QWHCGFSZSA-N 0 3 354.376 3.485 20 10 FGCDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc3c(c2)CCN3C)cc1 ZINC000372423370 499432958 /nfs/dbraw/zinc/43/29/58/499432958.db2.gz XIEWRWWNQRLCGE-HNNXBMFYSA-N 0 3 373.522 3.291 20 10 FGCDHN COCc1nccc([C@H]2CCC[N@@H+]([C@H](C)c3cc(OC)ccc3[O-])C2)n1 ZINC000373609416 499479825 /nfs/dbraw/zinc/47/98/25/499479825.db2.gz NZXIYBUFECDJRM-CABCVRRESA-N 0 3 357.454 3.278 20 10 FGCDHN COCc1nccc([C@H]2CCC[N@H+]([C@H](C)c3cc(OC)ccc3[O-])C2)n1 ZINC000373609416 499479826 /nfs/dbraw/zinc/47/98/26/499479826.db2.gz NZXIYBUFECDJRM-CABCVRRESA-N 0 3 357.454 3.278 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(C(=O)Nc3cnccn3)CC2)cc1 ZINC000378336396 499502910 /nfs/dbraw/zinc/50/29/10/499502910.db2.gz VVMQUZWLKDERML-UHFFFAOYSA-N 0 3 367.497 3.174 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000377251340 499673926 /nfs/dbraw/zinc/67/39/26/499673926.db2.gz QCXSXDATJIWVRC-ZDUSSCGKSA-N 0 3 370.287 3.412 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000377251340 499673927 /nfs/dbraw/zinc/67/39/27/499673927.db2.gz QCXSXDATJIWVRC-ZDUSSCGKSA-N 0 3 370.287 3.412 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c([O-])c1 ZINC000377300557 499678015 /nfs/dbraw/zinc/67/80/15/499678015.db2.gz WGENLGRVPJOQIX-RXVVDRJESA-N 0 3 355.482 3.359 20 10 FGCDHN COC[C@]1(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])OCCc2ccccc21 ZINC000377936357 499749404 /nfs/dbraw/zinc/74/94/04/499749404.db2.gz DVBSYEMYQQQQTH-BTYIYWSLSA-N 0 3 357.450 3.166 20 10 FGCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCN1C1CCCC1 ZINC000528289750 504151418 /nfs/dbraw/zinc/15/14/18/504151418.db2.gz UQWBNHSUQKORES-KRWDZBQOSA-N 0 3 357.498 3.087 20 10 FGCDHN CN(c1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1)C1CCCCC1 ZINC000182676347 705856348 /nfs/dbraw/zinc/85/63/48/705856348.db2.gz WWPVGLWYGRSWTQ-KRWDZBQOSA-N 0 3 350.528 3.122 20 10 FGCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000184240085 705925232 /nfs/dbraw/zinc/92/52/32/705925232.db2.gz BBJIJOMFTWHUAT-VBNZEHGJSA-N 0 3 350.434 3.266 20 10 FGCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000184240085 705925234 /nfs/dbraw/zinc/92/52/34/705925234.db2.gz BBJIJOMFTWHUAT-VBNZEHGJSA-N 0 3 350.434 3.266 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(Oc3cncc(Cl)n3)CC2)c1 ZINC000779190158 724398850 /nfs/dbraw/zinc/39/88/50/724398850.db2.gz FVQFJCYCLVZHTE-UHFFFAOYSA-N 0 3 363.845 3.278 20 10 FGCDHN COC(=O)[C@@H](C)C[N@H+](Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000780893851 724512709 /nfs/dbraw/zinc/51/27/09/724512709.db2.gz UEWAIJYDGOBHNK-NSHDSACASA-N 0 3 356.260 3.237 20 10 FGCDHN COC(=O)[C@@H](C)C[N@@H+](Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000780893851 724512711 /nfs/dbraw/zinc/51/27/11/724512711.db2.gz UEWAIJYDGOBHNK-NSHDSACASA-N 0 3 356.260 3.237 20 10 FGCDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782654304 724690523 /nfs/dbraw/zinc/69/05/23/724690523.db2.gz OSOTZYHVZCWVLP-INIZCTEOSA-N 0 3 359.436 3.278 20 10 FGCDHN COCCN(C)CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000731474485 722475729 /nfs/dbraw/zinc/47/57/29/722475729.db2.gz XESIZZNKZXGHAH-UHFFFAOYSA-N 0 3 363.889 3.056 20 10 FGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735744691 722519031 /nfs/dbraw/zinc/51/90/31/722519031.db2.gz WIDWUWZRSYEMQZ-INIZCTEOSA-N 0 3 357.420 3.126 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000742377602 722556566 /nfs/dbraw/zinc/55/65/66/722556566.db2.gz WFMCROVSKTUYOT-MAZHCROVSA-N 0 3 370.287 3.457 20 10 FGCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)NCC(C)C)CC2)c1[O-] ZINC000750036118 722752416 /nfs/dbraw/zinc/75/24/16/722752416.db2.gz KSUSNNHPPDRTNO-UHFFFAOYSA-N 0 3 366.889 3.232 20 10 FGCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000750036118 722752418 /nfs/dbraw/zinc/75/24/18/722752418.db2.gz KSUSNNHPPDRTNO-UHFFFAOYSA-N 0 3 366.889 3.232 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000756511613 722965976 /nfs/dbraw/zinc/96/59/76/722965976.db2.gz QYXGNKUEQIEZRI-WBMJQRKESA-N 0 3 363.454 3.414 20 10 FGCDHN C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000762652750 723267791 /nfs/dbraw/zinc/26/77/91/723267791.db2.gz XZTSYJYANBMDRX-KGLIPLIRSA-N 0 3 371.319 3.306 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000763441941 723343687 /nfs/dbraw/zinc/34/36/87/723343687.db2.gz IILFVMYUIOBGLY-CYBMUJFWSA-N 0 3 368.246 3.235 20 10 FGCDHN COC(=O)C(C)(C)CC[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000792979428 723389380 /nfs/dbraw/zinc/38/93/80/723389380.db2.gz IIMXEYCYOATJNF-MRXNPFEDSA-N 0 3 368.905 3.189 20 10 FGCDHN COc1ccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])c(O)c1 ZINC000793387335 723432835 /nfs/dbraw/zinc/43/28/35/723432835.db2.gz DLBWTGBNLCPMMH-UHFFFAOYSA-N 0 3 352.228 3.467 20 10 FGCDHN CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000794807157 723546934 /nfs/dbraw/zinc/54/69/34/723546934.db2.gz KNQJGQMUJXXYHT-UGSOOPFHSA-N 0 3 351.393 3.459 20 10 FGCDHN CN(Cc1cc(Br)cs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439874 723657520 /nfs/dbraw/zinc/65/75/20/723657520.db2.gz OMABRXOUOWPSSO-CQSZACIVSA-N 0 3 370.268 3.274 20 10 FGCDHN C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439948 723657553 /nfs/dbraw/zinc/65/75/53/723657553.db2.gz AUAKGLFUABBJHT-INIZCTEOSA-N 0 3 353.340 3.469 20 10 FGCDHN C[N@H+](Cc1ccccc1C(F)(F)F)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439948 723657554 /nfs/dbraw/zinc/65/75/54/723657554.db2.gz AUAKGLFUABBJHT-INIZCTEOSA-N 0 3 353.340 3.469 20 10 FGCDHN CN(C)c1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1F ZINC000769196817 723679320 /nfs/dbraw/zinc/67/93/20/723679320.db2.gz ZNSOQKGBFROJPZ-HNNXBMFYSA-N 0 3 351.466 3.238 20 10 FGCDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769334754 723682729 /nfs/dbraw/zinc/68/27/29/723682729.db2.gz QXFLADIUIFYKOJ-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769334754 723682730 /nfs/dbraw/zinc/68/27/30/723682730.db2.gz QXFLADIUIFYKOJ-OAHLLOKOSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cccc(C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000769563729 723689865 /nfs/dbraw/zinc/68/98/65/723689865.db2.gz VZJDPPLVRQXUDB-UHFFFAOYSA-N 0 3 352.475 3.384 20 10 FGCDHN COc1cccc(C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000769563729 723689866 /nfs/dbraw/zinc/68/98/66/723689866.db2.gz VZJDPPLVRQXUDB-UHFFFAOYSA-N 0 3 352.475 3.384 20 10 FGCDHN C[C@@H](NCc1cn(C)nc1C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000770668035 723718732 /nfs/dbraw/zinc/71/87/32/723718732.db2.gz UWILQOAIGQHAQB-CYBMUJFWSA-N 0 3 350.413 3.045 20 10 FGCDHN CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000774488945 723899244 /nfs/dbraw/zinc/89/92/44/723899244.db2.gz SJPZETNXIKUXHW-XOMBGVMMSA-N 0 3 358.276 3.044 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(CC(C)C)CC(F)(F)F)c1 ZINC000775373082 723985958 /nfs/dbraw/zinc/98/59/58/723985958.db2.gz MGNGOCJQODWRKC-GFCCVEGCSA-N 0 3 362.392 3.098 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c1[O-] ZINC000776498821 724151617 /nfs/dbraw/zinc/15/16/17/724151617.db2.gz PZAJJPRMFOVWRH-ZWZTZDBGSA-N 0 3 358.276 3.312 20 10 FGCDHN COc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)cc1C ZINC000808203503 725188222 /nfs/dbraw/zinc/18/82/22/725188222.db2.gz RYKUKPNEKRSSJD-ZFWWWQNUSA-N 0 3 350.459 3.197 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1[O-] ZINC000808675084 725213038 /nfs/dbraw/zinc/21/30/38/725213038.db2.gz VXWHSDRTWMTYLK-QAPCUYQASA-N 0 3 353.938 3.277 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000808718741 725214795 /nfs/dbraw/zinc/21/47/95/725214795.db2.gz QVQUGBSMPMNXLB-BXUZGUMPSA-N 0 3 366.811 3.268 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000809792594 725268917 /nfs/dbraw/zinc/26/89/17/725268917.db2.gz BGUHGTPEMQGFJR-WMLDXEAASA-N 0 3 364.239 3.047 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000809792592 725269078 /nfs/dbraw/zinc/26/90/78/725269078.db2.gz BGUHGTPEMQGFJR-PBHICJAKSA-N 0 3 364.239 3.047 20 10 FGCDHN COc1ccc(CNCc2cc(Br)cc(C)c2O)c(OC)n1 ZINC000811519347 725372352 /nfs/dbraw/zinc/37/23/52/725372352.db2.gz ZMVWSPJMUGHEMB-UHFFFAOYSA-N 0 3 367.243 3.165 20 10 FGCDHN CCN1CCC([N@@H+]2CCCN(Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000817413997 727248876 /nfs/dbraw/zinc/24/88/76/727248876.db2.gz PGNRTJFHZBKTPW-UHFFFAOYSA-N 0 3 369.912 3.177 20 10 FGCDHN CCN1CCC([N@H+]2CCCN(Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000817413997 727248878 /nfs/dbraw/zinc/24/88/78/727248878.db2.gz PGNRTJFHZBKTPW-UHFFFAOYSA-N 0 3 369.912 3.177 20 10 FGCDHN COC1([C@H](C)[NH2+]Cc2cc(Br)cc(C)c2[O-])CCOCC1 ZINC000817419847 727250065 /nfs/dbraw/zinc/25/00/65/727250065.db2.gz LCUNEHKDFLEMQX-LBPRGKRZSA-N 0 3 358.276 3.137 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1[O-] ZINC000817587117 727268587 /nfs/dbraw/zinc/26/85/87/727268587.db2.gz UXDDENATUKUOEW-JHJVBQTASA-N 0 3 369.303 3.405 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824715790 729356325 /nfs/dbraw/zinc/35/63/25/729356325.db2.gz NOBOUCRXUJIXSM-ZNMIVQPWSA-N 0 3 370.287 3.289 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824715790 729356327 /nfs/dbraw/zinc/35/63/27/729356327.db2.gz NOBOUCRXUJIXSM-ZNMIVQPWSA-N 0 3 370.287 3.289 20 10 FGCDHN CCc1nsc(N2CCCN(Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840923460 730192337 /nfs/dbraw/zinc/19/23/37/730192337.db2.gz UMZHNVZTSABPPZ-UHFFFAOYSA-N 0 3 359.543 3.187 20 10 FGCDHN [NH3+][C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1c1ccccc1F ZINC000841104627 730211805 /nfs/dbraw/zinc/21/18/05/730211805.db2.gz UQEIPLLYPAZHKV-GOEBONIOSA-N 0 3 365.246 3.221 20 10 FGCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000844400048 730713133 /nfs/dbraw/zinc/71/31/33/730713133.db2.gz UDNXPEWSZAHABV-LJQANCHMSA-N 0 3 350.409 3.075 20 10 FGCDHN COc1cccc([C@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000846166738 730933187 /nfs/dbraw/zinc/93/31/87/730933187.db2.gz OHBKJWJQBOBTKK-NSHDSACASA-N 0 3 369.870 3.309 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1[O-] ZINC000848527527 731175530 /nfs/dbraw/zinc/17/55/30/731175530.db2.gz CCGUYMCOXZWEBG-RISCZKNCSA-N 0 3 369.303 3.298 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)c1[O-] ZINC000848534146 731177182 /nfs/dbraw/zinc/17/71/82/731177182.db2.gz YAPUYQKTHRQPMY-YPMHNXCESA-N 0 3 374.275 3.010 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000848551295 731180139 /nfs/dbraw/zinc/18/01/39/731180139.db2.gz IUECHGLYMCDDGN-HZMBPMFUSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1[O-] ZINC000850520671 731368969 /nfs/dbraw/zinc/36/89/69/731368969.db2.gz FPEVLXAUUCBQEA-UFBFGSQYSA-N 0 3 366.202 3.238 20 10 FGCDHN [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[C@H]1C(F)(F)F ZINC000863646851 732990039 /nfs/dbraw/zinc/99/00/39/732990039.db2.gz QDGQZFOCDVCYMI-CMPLNLGQSA-N 0 3 367.209 3.114 20 10 FGCDHN [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[C@@H]1C(F)(F)F ZINC000863646854 732990127 /nfs/dbraw/zinc/99/01/27/732990127.db2.gz QDGQZFOCDVCYMI-PWSUYJOCSA-N 0 3 367.209 3.114 20 10 FGCDHN Cc1ccc(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c(O)c1 ZINC000877481944 736225547 /nfs/dbraw/zinc/22/55/47/736225547.db2.gz YDIUZRHBELQFGE-UHFFFAOYSA-N 0 3 373.396 3.413 20 10 FGCDHN C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccccc1[O-] ZINC000879647936 737023277 /nfs/dbraw/zinc/02/32/77/737023277.db2.gz RLSGOWPDZJMZGR-GFCCVEGCSA-N 0 3 356.344 3.227 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)N(C)C)cc1 ZINC000891244366 739885953 /nfs/dbraw/zinc/88/59/53/739885953.db2.gz ZUAOLWHZRLXWSN-ZCTYVAAUSA-N 0 3 361.555 3.146 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)C2(C(F)(F)F)CCC2)N(C)C)cc1 ZINC000891248846 739886470 /nfs/dbraw/zinc/88/64/70/739886470.db2.gz NOSLGLVOFGXRJT-HNNXBMFYSA-N 0 3 357.420 3.204 20 10 FGCDHN Cc1nc([C@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)no1 ZINC000896236813 742519284 /nfs/dbraw/zinc/51/92/84/742519284.db2.gz IFMGYRXDBDQPJL-NSHDSACASA-N 0 3 352.232 3.144 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1[O-] ZINC000779035813 724383074 /nfs/dbraw/zinc/38/30/74/724383074.db2.gz IZLVXDZZKLNGHT-GVAXYQGFSA-N 0 3 367.287 3.123 20 10 FGCDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000090183166 494453937 /nfs/dbraw/zinc/45/39/37/494453937.db2.gz GSCBNUWZZVWRLT-MRXNPFEDSA-N 0 3 350.528 3.152 20 10 FGCDHN COc1ccc(N2CCCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000092380709 494610730 /nfs/dbraw/zinc/61/07/30/494610730.db2.gz BGYBAKFQJKQXRU-UHFFFAOYSA-N 0 3 353.466 3.366 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000091949581 494730569 /nfs/dbraw/zinc/73/05/69/494730569.db2.gz SSLKGKCVSPTSPA-INIZCTEOSA-N 0 3 360.498 3.261 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000091949581 494730576 /nfs/dbraw/zinc/73/05/76/494730576.db2.gz SSLKGKCVSPTSPA-INIZCTEOSA-N 0 3 360.498 3.261 20 10 FGCDHN O[C@H](C[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958272 494736088 /nfs/dbraw/zinc/73/60/88/494736088.db2.gz UPJGRWATDWYCHT-WOJBJXKFSA-N 0 3 356.466 3.204 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C)n3)CC2)c1[O-] ZINC000121942203 494895542 /nfs/dbraw/zinc/89/55/42/494895542.db2.gz WCJSGEDWRFJOEU-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN COc1ccc([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000125390380 495436849 /nfs/dbraw/zinc/43/68/49/495436849.db2.gz HDRIRTSGNVOXHA-VFNWGFHPSA-N 0 3 374.456 3.055 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000182449066 495568200 /nfs/dbraw/zinc/56/82/00/495568200.db2.gz YFYGDXMYPFXISK-KGLIPLIRSA-N 0 3 350.459 3.308 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3cccc(COC)c3)c2)CC1 ZINC000184274107 496313948 /nfs/dbraw/zinc/31/39/48/496313948.db2.gz WVAXGUCMHJSLPD-UHFFFAOYSA-N 0 3 353.466 3.227 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000184685312 496492080 /nfs/dbraw/zinc/49/20/80/496492080.db2.gz PPEQFJGWHGUNEC-ZDUSSCGKSA-N 0 3 354.878 3.038 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000184852963 496558950 /nfs/dbraw/zinc/55/89/50/496558950.db2.gz NLURDOHGZWLBBV-YOEHRIQHSA-N 0 3 362.495 3.186 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000184965134 496603423 /nfs/dbraw/zinc/60/34/23/496603423.db2.gz NVQGDNFBTDKHMY-KRWDZBQOSA-N 0 3 367.493 3.454 20 10 FGCDHN COc1ccc([O-])c(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000182186601 496700732 /nfs/dbraw/zinc/70/07/32/496700732.db2.gz JEACLHRZUZCUIG-UHFFFAOYSA-N 0 3 359.813 3.437 20 10 FGCDHN COCCCN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2[O-])CC1 ZINC000185314226 496727921 /nfs/dbraw/zinc/72/79/21/496727921.db2.gz WEYMZOPZEZFMJD-ZDUSSCGKSA-N 0 3 371.319 3.306 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000278108128 497007782 /nfs/dbraw/zinc/00/77/82/497007782.db2.gz AXJGQADFMWWWJD-ZFWWWQNUSA-N 0 3 350.459 3.278 20 10 FGCDHN COCCOCCOCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000274422766 497095315 /nfs/dbraw/zinc/09/53/15/497095315.db2.gz QSHQXRSSANCRTN-UHFFFAOYSA-N 0 3 359.466 3.219 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])c2)CC1 ZINC000274517868 497115788 /nfs/dbraw/zinc/11/57/88/497115788.db2.gz ZFISVXFOWGKCRZ-UHFFFAOYSA-N 0 3 368.437 3.297 20 10 FGCDHN Nc1ccc(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000237920773 497315341 /nfs/dbraw/zinc/31/53/41/497315341.db2.gz GDEAXQKAONKPAI-UHFFFAOYSA-N 0 3 355.507 3.041 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(C)cc1[O-] ZINC000279957330 497601695 /nfs/dbraw/zinc/60/16/95/497601695.db2.gz CCYFCAFQSDFVMA-LJQANCHMSA-N 0 3 354.498 3.088 20 10 FGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COCC(F)(F)F ZINC000292494486 498036408 /nfs/dbraw/zinc/03/64/08/498036408.db2.gz BRSZGCIHSPRQKL-KRWDZBQOSA-N 0 3 360.420 3.049 20 10 FGCDHN COCCOC1(C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CCOCC1 ZINC000296462369 498053646 /nfs/dbraw/zinc/05/36/46/498053646.db2.gz NIOQMDLFYAPDGQ-INIZCTEOSA-N 0 3 363.498 3.134 20 10 FGCDHN COc1cc(O)c(CN2CC[C@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701883 498099825 /nfs/dbraw/zinc/09/98/25/498099825.db2.gz DPTHBNACJAOCSC-INIZCTEOSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701883 498099830 /nfs/dbraw/zinc/09/98/30/498099830.db2.gz DPTHBNACJAOCSC-INIZCTEOSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701883 498099831 /nfs/dbraw/zinc/09/98/31/498099831.db2.gz DPTHBNACJAOCSC-INIZCTEOSA-N 0 3 353.422 3.206 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000364980819 498238989 /nfs/dbraw/zinc/23/89/89/498238989.db2.gz KEVUTERCEISZMY-HNNXBMFYSA-N 0 3 374.485 3.176 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3nc(C)cs3)CC2)c1 ZINC000360790863 498309331 /nfs/dbraw/zinc/30/93/31/498309331.db2.gz CIYWYWPWOXBMAL-UHFFFAOYSA-N 0 3 361.467 3.016 20 10 FGCDHN COc1ccc(O)c(CN2CCC(C(=O)Nc3nc(C)cs3)CC2)c1 ZINC000360790863 498309338 /nfs/dbraw/zinc/30/93/38/498309338.db2.gz CIYWYWPWOXBMAL-UHFFFAOYSA-N 0 3 361.467 3.016 20 10 FGCDHN COCCn1cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cn1 ZINC000282526851 498546362 /nfs/dbraw/zinc/54/63/62/498546362.db2.gz PVDFRYDKOCJVTG-UHFFFAOYSA-N 0 3 367.449 3.104 20 10 FGCDHN CC(C)N1CC[NH+](C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000294290866 498646203 /nfs/dbraw/zinc/64/62/03/498646203.db2.gz PJUBITUSUNYBAO-UHFFFAOYSA-N 0 3 369.912 3.175 20 10 FGCDHN CCC[C@](C)(N)C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366319928 498872934 /nfs/dbraw/zinc/87/29/34/498872934.db2.gz CTYNGYARXPIJEZ-DYVFJYSZSA-N 0 3 373.419 3.045 20 10 FGCDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c1 ZINC000283942165 499017343 /nfs/dbraw/zinc/01/73/43/499017343.db2.gz JTEAGIWRJWSHTH-AWEZNQCLSA-N 0 3 363.479 3.435 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc2c(cc1[O-])CCCC2 ZINC000363857045 499026782 /nfs/dbraw/zinc/02/67/82/499026782.db2.gz PMSRQDUSMHEFDH-LIRRHRJNSA-N 0 3 355.482 3.188 20 10 FGCDHN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1cc2c(cc1O)CCCC2 ZINC000363857045 499026784 /nfs/dbraw/zinc/02/67/84/499026784.db2.gz PMSRQDUSMHEFDH-LIRRHRJNSA-N 0 3 355.482 3.188 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c([O-])c1C ZINC000363860958 499028989 /nfs/dbraw/zinc/02/89/89/499028989.db2.gz VXMWMMSPONPHCQ-QKLQHJQFSA-N 0 3 356.514 3.476 20 10 FGCDHN COC(=O)c1coc(CN(C)C2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000369816633 499133200 /nfs/dbraw/zinc/13/32/00/499133200.db2.gz UTBOKYFKWIKUNL-UHFFFAOYSA-N 0 3 358.438 3.176 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000372497485 499134554 /nfs/dbraw/zinc/13/45/54/499134554.db2.gz QGVOAZOZNNAPDP-ZWNOBZJWSA-N 0 3 350.260 3.394 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323145 499181566 /nfs/dbraw/zinc/18/15/66/499181566.db2.gz ZNWYBBAAVXRTIO-HZPDHXFCSA-N 0 3 356.470 3.161 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323145 499181567 /nfs/dbraw/zinc/18/15/67/499181567.db2.gz ZNWYBBAAVXRTIO-HZPDHXFCSA-N 0 3 356.470 3.161 20 10 FGCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1[O-] ZINC000367546040 499210937 /nfs/dbraw/zinc/21/09/37/499210937.db2.gz BJGRJUQVAVSRPP-KDOFPFPSSA-N 0 3 360.479 3.304 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370372903 499213955 /nfs/dbraw/zinc/21/39/55/499213955.db2.gz GABPAUBEQJXCHS-HKUYNNGSSA-N 0 3 352.478 3.442 20 10 FGCDHN Clc1cnn(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000367880083 499241293 /nfs/dbraw/zinc/24/12/93/499241293.db2.gz RUESJKVLJNYEEW-UHFFFAOYSA-N 0 3 360.889 3.210 20 10 FGCDHN CCOc1cccc(CN2CCCN(Cc3noc(C(C)C)n3)CC2)c1O ZINC000371380516 499317567 /nfs/dbraw/zinc/31/75/67/499317567.db2.gz RXTOPTCBUVEYQD-UHFFFAOYSA-N 0 3 374.485 3.005 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608685 499479685 /nfs/dbraw/zinc/47/96/85/499479685.db2.gz LKFBIHAXUZEYCX-STQMWFEESA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608685 499479686 /nfs/dbraw/zinc/47/96/86/499479686.db2.gz LKFBIHAXUZEYCX-STQMWFEESA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608685 499479687 /nfs/dbraw/zinc/47/96/87/499479687.db2.gz LKFBIHAXUZEYCX-STQMWFEESA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975512 499573062 /nfs/dbraw/zinc/57/30/62/499573062.db2.gz MWNBQGKFSJHFJT-KRWDZBQOSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975512 499573064 /nfs/dbraw/zinc/57/30/64/499573064.db2.gz MWNBQGKFSJHFJT-KRWDZBQOSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975512 499573065 /nfs/dbraw/zinc/57/30/65/499573065.db2.gz MWNBQGKFSJHFJT-KRWDZBQOSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377911984 499747646 /nfs/dbraw/zinc/74/76/46/499747646.db2.gz JNPZPMJFUJGZSX-INIZCTEOSA-N 0 3 355.482 3.453 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377911984 499747647 /nfs/dbraw/zinc/74/76/47/499747647.db2.gz JNPZPMJFUJGZSX-INIZCTEOSA-N 0 3 355.482 3.453 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000472239906 502281654 /nfs/dbraw/zinc/28/16/54/502281654.db2.gz MSCBRFXZTZRBNV-WMZOPIPTSA-N 0 3 354.498 3.112 20 10 FGCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)c1[O-] ZINC000527771534 503936550 /nfs/dbraw/zinc/93/65/50/503936550.db2.gz GUDHEFDZVWJNEC-SFHVURJKSA-N 0 3 356.466 3.164 20 10 FGCDHN Cc1cc(O)c(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1C ZINC000822210845 599396705 /nfs/dbraw/zinc/39/67/05/599396705.db2.gz SWTZFWFDBILSPQ-UHFFFAOYSA-N 0 3 369.494 3.212 20 10 FGCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821611145 607112943 /nfs/dbraw/zinc/11/29/43/607112943.db2.gz SDERYCNGABRGGF-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821611145 607112944 /nfs/dbraw/zinc/11/29/44/607112944.db2.gz SDERYCNGABRGGF-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821611145 607112945 /nfs/dbraw/zinc/11/29/45/607112945.db2.gz SDERYCNGABRGGF-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821611145 607112946 /nfs/dbraw/zinc/11/29/46/607112946.db2.gz SDERYCNGABRGGF-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1[O-] ZINC000186414100 712718584 /nfs/dbraw/zinc/71/85/84/712718584.db2.gz OILSKFLKYRXNHL-SFHVURJKSA-N 0 3 360.479 3.173 20 10 FGCDHN CCCCCCN(C)CC(=O)NCc1cc(Br)ccc1O ZINC000804737398 724547739 /nfs/dbraw/zinc/54/77/39/724547739.db2.gz ISRDFRZAEHHAJY-UHFFFAOYSA-N 0 3 357.292 3.283 20 10 FGCDHN Cc1ccc(O)c(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 ZINC000781921896 724613223 /nfs/dbraw/zinc/61/32/23/724613223.db2.gz XCROEVFBITXVIR-SFHVURJKSA-N 0 3 360.479 3.107 20 10 FGCDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782654307 724690629 /nfs/dbraw/zinc/69/06/29/724690629.db2.gz OSOTZYHVZCWVLP-MRXNPFEDSA-N 0 3 359.436 3.278 20 10 FGCDHN CCn1ccnc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000727644308 722446013 /nfs/dbraw/zinc/44/60/13/722446013.db2.gz HKRCSDMZNUDCPP-UHFFFAOYSA-N 0 3 350.413 3.263 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000756511611 722965919 /nfs/dbraw/zinc/96/59/19/722965919.db2.gz QYXGNKUEQIEZRI-LRDDRELGSA-N 0 3 363.454 3.414 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756633223 722967981 /nfs/dbraw/zinc/96/79/81/722967981.db2.gz GMLLHKABJHUHQF-LRDDRELGSA-N 0 3 363.454 3.414 20 10 FGCDHN CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000793389716 723433144 /nfs/dbraw/zinc/43/31/44/723433144.db2.gz NACVDCILLHCNQU-UONOGXRCSA-N 0 3 357.397 3.248 20 10 FGCDHN COc1cc(Br)cc(CNCc2cnn3ccccc23)c1O ZINC000796484756 723639612 /nfs/dbraw/zinc/63/96/12/723639612.db2.gz YUHJLKQBJRMQJL-UHFFFAOYSA-N 0 3 362.227 3.101 20 10 FGCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000768343928 723654681 /nfs/dbraw/zinc/65/46/81/723654681.db2.gz ADTMNHBDJXSBQT-UHFFFAOYSA-N 0 3 350.459 3.280 20 10 FGCDHN CN(Cc1cc(Br)cs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439873 723657526 /nfs/dbraw/zinc/65/75/26/723657526.db2.gz OMABRXOUOWPSSO-AWEZNQCLSA-N 0 3 370.268 3.274 20 10 FGCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000798088538 723903548 /nfs/dbraw/zinc/90/35/48/723903548.db2.gz DAKKXWCDWXGNSQ-RISCZKNCSA-N 0 3 356.260 3.285 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000775048887 723956116 /nfs/dbraw/zinc/95/61/16/723956116.db2.gz WJLYWSBSXPVKDR-UONOGXRCSA-N 0 3 350.459 3.278 20 10 FGCDHN Cc1cc(Br)cc(CN2CCC[C@H](n3ccnc3)C2)c1O ZINC000775674825 724022262 /nfs/dbraw/zinc/02/22/62/724022262.db2.gz LDUWUYIPSXTBPN-HNNXBMFYSA-N 0 3 350.260 3.497 20 10 FGCDHN Cc1cccc(CNCC(=O)Nc2ccc(Br)cc2C)c1O ZINC000776100746 724110277 /nfs/dbraw/zinc/11/02/77/724110277.db2.gz KRRBHQXWSDFGTR-UHFFFAOYSA-N 0 3 363.255 3.500 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000776252320 724124199 /nfs/dbraw/zinc/12/41/99/724124199.db2.gz QLCPNZDIMDBHRW-INIZCTEOSA-N 0 3 368.246 3.295 20 10 FGCDHN CCn1cccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])c1=O ZINC000788610597 725075715 /nfs/dbraw/zinc/07/57/15/725075715.db2.gz ZBDLQVXEHLBASS-GFCCVEGCSA-N 0 3 365.271 3.496 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1[O-] ZINC000816628758 727182152 /nfs/dbraw/zinc/18/21/52/727182152.db2.gz JGANLRKKHRTCSH-UHFFFAOYSA-N 0 3 362.857 3.181 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H](O)C(F)F ZINC000824635549 729352261 /nfs/dbraw/zinc/35/22/61/729352261.db2.gz HQMYJZABFZZXNO-FUHWJXTLSA-N 0 3 351.393 3.465 20 10 FGCDHN COc1cc(Br)cc(CN(C)[C@H](CO)c2ccccc2)c1O ZINC000824695795 729355699 /nfs/dbraw/zinc/35/56/99/729355699.db2.gz DIPBZPXNTPORKI-OAHLLOKOSA-N 0 3 366.255 3.329 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1[O-] ZINC000824715802 729356366 /nfs/dbraw/zinc/35/63/66/729356366.db2.gz OAGXXSMKEFOTOB-UHFFFAOYSA-N 0 3 369.303 3.344 20 10 FGCDHN Cc1cc(Br)cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124810 729371861 /nfs/dbraw/zinc/37/18/61/729371861.db2.gz YRMCJJWLQHVPRL-NOZJJQNGSA-N 0 3 368.193 3.208 20 10 FGCDHN CCN(CC)[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccsc1 ZINC000841693497 730264874 /nfs/dbraw/zinc/26/48/74/730264874.db2.gz QETAKVYGGOFVEI-SFHVURJKSA-N 0 3 360.527 3.255 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000843044407 730573244 /nfs/dbraw/zinc/57/32/44/730573244.db2.gz BFVTVOXLNOSZTB-BBRMVZONSA-N 0 3 353.304 3.427 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1[O-] ZINC000846042192 730922715 /nfs/dbraw/zinc/92/27/15/730922715.db2.gz ITVMUTJGJAVBJK-INIZCTEOSA-N 0 3 370.287 3.458 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)c1[O-] ZINC000848516674 731174236 /nfs/dbraw/zinc/17/42/36/731174236.db2.gz ATIXVGQHZPYLNT-BXKDBHETSA-N 0 3 356.216 3.141 20 10 FGCDHN CCn1cc(CN[C@H](C)c2cc(Br)cc(OC)c2O)cn1 ZINC000848532742 731176272 /nfs/dbraw/zinc/17/62/72/731176272.db2.gz DPJFHCXOVACZQV-SNVBAGLBSA-N 0 3 354.248 3.231 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000848535814 731177643 /nfs/dbraw/zinc/17/76/43/731177643.db2.gz HBTGCNDBBLOBSR-JVXZTZIISA-N 0 3 372.181 3.127 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000848550483 731179704 /nfs/dbraw/zinc/17/97/04/731179704.db2.gz NZDZZGMHIRFLRM-SRVKXCTJSA-N 0 3 358.276 3.487 20 10 FGCDHN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])[C@H](O)C(F)F ZINC000848552218 731180566 /nfs/dbraw/zinc/18/05/66/731180566.db2.gz AFYZUCYUIRUIRG-IDALBHDPSA-N 0 3 368.218 3.219 20 10 FGCDHN [NH2+]=C(NCCc1cccs1)NCc1cc(Br)ccc1[O-] ZINC000849052034 731224240 /nfs/dbraw/zinc/22/42/40/731224240.db2.gz MWLUDCLWJJBGEL-UHFFFAOYSA-N 0 3 354.273 3.073 20 10 FGCDHN COc1ccc(N2CC[C@@H](NCc3ncccc3C(F)(F)F)C2)cc1 ZINC000850347876 731345802 /nfs/dbraw/zinc/34/58/02/731345802.db2.gz ZNNRASVLJPOGMS-CYBMUJFWSA-N 0 3 351.372 3.478 20 10 FGCDHN C[C@@H](NCCN(C)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000858596369 732229840 /nfs/dbraw/zinc/22/98/40/732229840.db2.gz DXIRBYZIIJLWOJ-CYBMUJFWSA-N 0 3 361.864 3.024 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1[O-] ZINC000862547508 732848727 /nfs/dbraw/zinc/84/87/27/732848727.db2.gz IBRQUPCEGOQGHY-QGZVFWFLSA-N 0 3 365.857 3.112 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000865713253 733256441 /nfs/dbraw/zinc/25/64/41/733256441.db2.gz KMRQOZJEPPNACM-HDJSIYSDSA-N 0 3 350.459 3.326 20 10 FGCDHN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2ccnn2C)c1O ZINC000866615529 733374835 /nfs/dbraw/zinc/37/48/35/733374835.db2.gz UYHBCMHJJYRGDK-UWVGGRQHSA-N 0 3 354.248 3.309 20 10 FGCDHN Cc1nnsc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071167 736183889 /nfs/dbraw/zinc/18/38/89/736183889.db2.gz FVWCSCCZBGFSKX-LBPRGKRZSA-N 0 3 354.426 3.207 20 10 FGCDHN COc1cc(O)c(CNCc2ccc(OC(F)F)cc2F)cc1OC ZINC000877729949 736710677 /nfs/dbraw/zinc/71/06/77/736710677.db2.gz HHCFNKZNGNMTOQ-UHFFFAOYSA-N 0 3 357.328 3.440 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCC(F)(F)C2)N(C)C)cc1 ZINC000891249552 739886746 /nfs/dbraw/zinc/88/67/46/739886746.db2.gz RNFZDSQCUPYBFH-DOTOQJQBSA-N 0 3 353.457 3.297 20 10 FGCDHN COc1ccc(CN[C@H](CCO)c2ccc(Cl)c(F)c2)c(O)c1OC ZINC000895691916 742440304 /nfs/dbraw/zinc/44/03/04/742440304.db2.gz KMYVKPJEIKUAKO-OAHLLOKOSA-N 0 3 369.820 3.415 20 10 FGCDHN C[NH+](C)CC[C@H](NCc1cc(Br)ccc1[O-])c1cccnc1 ZINC000922629972 758965261 /nfs/dbraw/zinc/96/52/61/758965261.db2.gz BHEUWVGIKJMQAF-INIZCTEOSA-N 0 3 364.287 3.332 20 10 FGCDHN CCN(Cc1ccccc1)c1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000044862802 494385400 /nfs/dbraw/zinc/38/54/00/494385400.db2.gz FEHFHEBGSRGENJ-FQEVSTJZSA-N 0 3 372.534 3.237 20 10 FGCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc(F)cn3)cc2F)CC1 ZINC000092747361 494736029 /nfs/dbraw/zinc/73/60/29/494736029.db2.gz JWFLSXTWMALWMM-HNNXBMFYSA-N 0 3 360.452 3.353 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c([O-])c1 ZINC000093016276 494809065 /nfs/dbraw/zinc/80/90/65/494809065.db2.gz NUUCNZVZNBDHIB-UHFFFAOYSA-N 0 3 361.511 3.345 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)c([O-])c1 ZINC000093016276 494809068 /nfs/dbraw/zinc/80/90/68/494809068.db2.gz NUUCNZVZNBDHIB-UHFFFAOYSA-N 0 3 361.511 3.345 20 10 FGCDHN Cc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)n1-c1ccccn1 ZINC000119230597 495122527 /nfs/dbraw/zinc/12/25/27/495122527.db2.gz FKQURGCJFYJTGV-MJGOQNOKSA-N 0 3 352.482 3.045 20 10 FGCDHN Cc1ccc(O)c(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000113327951 495296257 /nfs/dbraw/zinc/29/62/57/495296257.db2.gz JQJWLPGBTXUHPC-UHFFFAOYSA-N 0 3 362.495 3.019 20 10 FGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000113327951 495296260 /nfs/dbraw/zinc/29/62/60/495296260.db2.gz JQJWLPGBTXUHPC-UHFFFAOYSA-N 0 3 362.495 3.019 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839300 495598516 /nfs/dbraw/zinc/59/85/16/495598516.db2.gz QAQGIHLCQYGUJM-OAHLLOKOSA-N 0 3 370.449 3.260 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839300 495598520 /nfs/dbraw/zinc/59/85/20/495598520.db2.gz QAQGIHLCQYGUJM-OAHLLOKOSA-N 0 3 370.449 3.260 20 10 FGCDHN COc1cc(O)c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839300 495598524 /nfs/dbraw/zinc/59/85/24/495598524.db2.gz QAQGIHLCQYGUJM-OAHLLOKOSA-N 0 3 370.449 3.260 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]CCCc1nc(-c3ccc(F)cc3)no1)OCO2 ZINC000184173062 496271452 /nfs/dbraw/zinc/27/14/52/496271452.db2.gz TWMORLOZACKEAL-UHFFFAOYSA-N 0 3 371.368 3.032 20 10 FGCDHN CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685356 496492322 /nfs/dbraw/zinc/49/23/22/496492322.db2.gz PTHCUUJQHBQINC-ZDUSSCGKSA-N 0 3 354.878 3.183 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000185109184 496664770 /nfs/dbraw/zinc/66/47/70/496664770.db2.gz CVGKKRMRHAALCJ-GJZGRUSLSA-N 0 3 362.495 3.363 20 10 FGCDHN C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154079988 496677770 /nfs/dbraw/zinc/67/77/70/496677770.db2.gz XBTISRJXJQKHST-BEFAXECRSA-N 0 3 361.461 3.209 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000185172577 496690936 /nfs/dbraw/zinc/69/09/36/496690936.db2.gz DCLWMARXHJAIBZ-HNNXBMFYSA-N 0 3 354.450 3.356 20 10 FGCDHN CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)cc(C)c2[O-])n1 ZINC000191511282 496791505 /nfs/dbraw/zinc/79/15/05/496791505.db2.gz HIHWXPIAIYDTAZ-UHFFFAOYSA-N 0 3 354.859 3.320 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000268854826 496804622 /nfs/dbraw/zinc/80/46/22/496804622.db2.gz UDOVZJIRWVWUGL-OAHLLOKOSA-N 0 3 361.511 3.365 20 10 FGCDHN Cc1ccc([C@@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(O)c1C ZINC000273464302 496814388 /nfs/dbraw/zinc/81/43/88/496814388.db2.gz QWIUCTMICSIMAS-APWZRJJASA-N 0 3 353.466 3.246 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c([O-])c1C ZINC000273464302 496814394 /nfs/dbraw/zinc/81/43/94/496814394.db2.gz QWIUCTMICSIMAS-APWZRJJASA-N 0 3 353.466 3.246 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000278108125 497007841 /nfs/dbraw/zinc/00/78/41/497007841.db2.gz AXJGQADFMWWWJD-DZGCQCFKSA-N 0 3 350.459 3.278 20 10 FGCDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C ZINC000192910402 497244398 /nfs/dbraw/zinc/24/43/98/497244398.db2.gz YFRMZHVWCCSUFA-ZIAGYGMSSA-N 0 3 350.413 3.341 20 10 FGCDHN C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)ccc1[O-] ZINC000279017259 497304478 /nfs/dbraw/zinc/30/44/78/497304478.db2.gz UKKLQRNKLJAYBS-VXGBXAGGSA-N 0 3 350.260 3.264 20 10 FGCDHN CCOc1cccc(CN[C@H](CO)c2ccc(Br)cc2)c1O ZINC000271314013 497317631 /nfs/dbraw/zinc/31/76/31/497317631.db2.gz RXKPSRRIAYAKIN-OAHLLOKOSA-N 0 3 366.255 3.377 20 10 FGCDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000275707982 497409746 /nfs/dbraw/zinc/40/97/46/497409746.db2.gz UBLMRHVQFKQMIH-UGKGYDQZSA-N 0 3 373.541 3.072 20 10 FGCDHN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2CCN(C)CC2)cc1 ZINC000266864197 497433734 /nfs/dbraw/zinc/43/37/34/497433734.db2.gz VNZOKLKTWOEHOX-UHFFFAOYSA-N 0 3 355.482 3.216 20 10 FGCDHN CN(C)c1ccc(CNCc2ccc(C(N)=O)cc2)c(C(F)(F)F)c1 ZINC000279849631 497563215 /nfs/dbraw/zinc/56/32/15/497563215.db2.gz IGPJFQWQFOQFGY-UHFFFAOYSA-N 0 3 351.372 3.160 20 10 FGCDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000272794147 497732431 /nfs/dbraw/zinc/73/24/31/497732431.db2.gz YENRPGGKBKPKGI-MRXNPFEDSA-N 0 3 353.466 3.332 20 10 FGCDHN COc1cc(O)c(CN[C@@H](c2cccs2)C(C)(C)CO)cc1OC ZINC000296095117 497918606 /nfs/dbraw/zinc/91/86/06/497918606.db2.gz TVLAGWZPJXFAMT-KRWDZBQOSA-N 0 3 351.468 3.320 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@H]31)OCO2 ZINC000285176815 498013932 /nfs/dbraw/zinc/01/39/32/498013932.db2.gz QTQRXBUKSMROAL-KZNAEPCWSA-N 0 3 353.418 3.125 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@H]31)OCO2 ZINC000285176815 498013925 /nfs/dbraw/zinc/01/39/25/498013925.db2.gz QTQRXBUKSMROAL-KZNAEPCWSA-N 0 3 353.418 3.125 20 10 FGCDHN COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000364725129 498114702 /nfs/dbraw/zinc/11/47/02/498114702.db2.gz SSLOISLZPXVGMS-KRWDZBQOSA-N 0 3 358.482 3.015 20 10 FGCDHN COc1ccc(N2CCN(CCCNc3nc(C)nc(C)c3C)CC2)cc1 ZINC000301708556 498233537 /nfs/dbraw/zinc/23/35/37/498233537.db2.gz WPLGDIGXPNXIAI-UHFFFAOYSA-N 0 3 369.513 3.035 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]C1(Cc3cccc(F)c3)CCOCC1)OCO2 ZINC000293210846 498308199 /nfs/dbraw/zinc/30/81/99/498308199.db2.gz YHBYJVQHCFCXGV-UHFFFAOYSA-N 0 3 359.397 3.142 20 10 FGCDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293779610 498486873 /nfs/dbraw/zinc/48/68/73/498486873.db2.gz QBKWYCZZYGFGTB-SIKLNZKXSA-N 0 3 367.537 3.292 20 10 FGCDHN O=S1(=O)CC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000293790053 498489658 /nfs/dbraw/zinc/48/96/58/498489658.db2.gz QOGAPJUAZZDDIP-MJGOQNOKSA-N 0 3 359.491 3.090 20 10 FGCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000294847696 498825430 /nfs/dbraw/zinc/82/54/30/498825430.db2.gz SFKXNABNBZSUBK-RBBKRZOGSA-N 0 3 355.478 3.443 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)c1[O-] ZINC000367228775 499165342 /nfs/dbraw/zinc/16/53/42/499165342.db2.gz LOVQXMCFWNWJTE-QGZVFWFLSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)c1[O-] ZINC000367228775 499165345 /nfs/dbraw/zinc/16/53/45/499165345.db2.gz LOVQXMCFWNWJTE-QGZVFWFLSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000367547717 499211105 /nfs/dbraw/zinc/21/11/05/499211105.db2.gz ZWIJQDJUDFAHQG-DNVCBOLYSA-N 0 3 360.479 3.304 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000370373332 499214304 /nfs/dbraw/zinc/21/43/04/499214304.db2.gz IPMORLPBEIHGHB-DNVCBOLYSA-N 0 3 365.477 3.231 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370662591 499241486 /nfs/dbraw/zinc/24/14/86/499241486.db2.gz MTSMECVZNCPUBU-VQIMIIECSA-N 0 3 352.482 3.103 20 10 FGCDHN O=C(c1ccoc1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000371410900 499322693 /nfs/dbraw/zinc/32/26/93/499322693.db2.gz IMOFUCPALWBUNW-UHFFFAOYSA-N 0 3 350.418 3.487 20 10 FGCDHN O=C(c1ccoc1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000371410900 499322694 /nfs/dbraw/zinc/32/26/94/499322694.db2.gz IMOFUCPALWBUNW-UHFFFAOYSA-N 0 3 350.418 3.487 20 10 FGCDHN COc1cc(O)c(CN2CCC(COc3ccccn3)CC2)cc1OC ZINC000371473179 499331511 /nfs/dbraw/zinc/33/15/11/499331511.db2.gz LVDJZRPLWMPBOG-UHFFFAOYSA-N 0 3 358.438 3.095 20 10 FGCDHN COc1cc([O-])c(C[NH+]2CCC(COc3ccccn3)CC2)cc1OC ZINC000371473179 499331513 /nfs/dbraw/zinc/33/15/13/499331513.db2.gz LVDJZRPLWMPBOG-UHFFFAOYSA-N 0 3 358.438 3.095 20 10 FGCDHN Cc1cccnc1NC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000372393376 499428299 /nfs/dbraw/zinc/42/82/99/499428299.db2.gz RRVWJTYPUSKPAV-UHFFFAOYSA-N 0 3 352.482 3.307 20 10 FGCDHN CCn1nccc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378262996 499495788 /nfs/dbraw/zinc/49/57/88/499495788.db2.gz GODVJIXHQLOXHY-UHFFFAOYSA-N 0 3 354.498 3.119 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621097 499711419 /nfs/dbraw/zinc/71/14/19/499711419.db2.gz GHXQSRBWTDSQNP-ZBFHGGJFSA-N 0 3 374.485 3.140 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621097 499711421 /nfs/dbraw/zinc/71/14/21/499711421.db2.gz GHXQSRBWTDSQNP-ZBFHGGJFSA-N 0 3 374.485 3.140 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377919334 499748166 /nfs/dbraw/zinc/74/81/66/499748166.db2.gz MEERZCWFCPMOIY-UHFFFAOYSA-N 0 3 355.482 3.282 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377919334 499748167 /nfs/dbraw/zinc/74/81/67/499748167.db2.gz MEERZCWFCPMOIY-UHFFFAOYSA-N 0 3 355.482 3.282 20 10 FGCDHN CN(C)c1ccc(C[N@H+](Cc2ccc(F)cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000736772928 598716609 /nfs/dbraw/zinc/71/66/09/598716609.db2.gz HWWXVWPZRNJGPG-UHFFFAOYSA-N 0 3 366.444 3.236 20 10 FGCDHN CN(C)c1ccc(C[N@@H+](Cc2ccc(F)cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000736772928 598716610 /nfs/dbraw/zinc/71/66/10/598716610.db2.gz HWWXVWPZRNJGPG-UHFFFAOYSA-N 0 3 366.444 3.236 20 10 FGCDHN CN(C)c1ccc(C[N@H+](Cc2ccc(F)cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000736772928 598716611 /nfs/dbraw/zinc/71/66/11/598716611.db2.gz HWWXVWPZRNJGPG-UHFFFAOYSA-N 0 3 366.444 3.236 20 10 FGCDHN CN(C)c1ccc(C[N@@H+](Cc2ccc(F)cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000736772928 598716612 /nfs/dbraw/zinc/71/66/12/598716612.db2.gz HWWXVWPZRNJGPG-UHFFFAOYSA-N 0 3 366.444 3.236 20 10 FGCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000825418105 608506179 /nfs/dbraw/zinc/50/61/79/608506179.db2.gz XBZJHXHWHSTUCD-UHFFFAOYSA-N 0 3 356.499 3.406 20 10 FGCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000825418105 608506180 /nfs/dbraw/zinc/50/61/80/608506180.db2.gz XBZJHXHWHSTUCD-UHFFFAOYSA-N 0 3 356.499 3.406 20 10 FGCDHN CCOc1ccc(O)c(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000825643759 608531862 /nfs/dbraw/zinc/53/18/62/608531862.db2.gz TUUYLJHFJKVGPO-UHFFFAOYSA-N 0 3 367.453 3.382 20 10 FGCDHN CCOc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000825643759 608531863 /nfs/dbraw/zinc/53/18/63/608531863.db2.gz TUUYLJHFJKVGPO-UHFFFAOYSA-N 0 3 367.453 3.382 20 10 FGCDHN CCOc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000825643759 608531864 /nfs/dbraw/zinc/53/18/64/608531864.db2.gz TUUYLJHFJKVGPO-UHFFFAOYSA-N 0 3 367.453 3.382 20 10 FGCDHN CCOc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000825643759 608531865 /nfs/dbraw/zinc/53/18/65/608531865.db2.gz TUUYLJHFJKVGPO-UHFFFAOYSA-N 0 3 367.453 3.382 20 10 FGCDHN CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434644 608549961 /nfs/dbraw/zinc/54/99/61/608549961.db2.gz CQEWCJMGVCXBNA-CYBMUJFWSA-N 0 3 353.426 3.164 20 10 FGCDHN CC[N@@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825434644 608549963 /nfs/dbraw/zinc/54/99/63/608549963.db2.gz CQEWCJMGVCXBNA-CYBMUJFWSA-N 0 3 353.426 3.164 20 10 FGCDHN CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825434644 608549964 /nfs/dbraw/zinc/54/99/64/608549964.db2.gz CQEWCJMGVCXBNA-CYBMUJFWSA-N 0 3 353.426 3.164 20 10 FGCDHN CC[N@@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825434644 608549966 /nfs/dbraw/zinc/54/99/66/608549966.db2.gz CQEWCJMGVCXBNA-CYBMUJFWSA-N 0 3 353.426 3.164 20 10 FGCDHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960680 700575911 /nfs/dbraw/zinc/57/59/11/700575911.db2.gz SYZFMFPZWQAZBD-HNNXBMFYSA-N 0 3 350.340 3.306 20 10 FGCDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000131428451 700815091 /nfs/dbraw/zinc/81/50/91/700815091.db2.gz GCWQJJDBPLZCIP-LSDHHAIUSA-N 0 3 350.459 3.326 20 10 FGCDHN CCOc1ccc(O)c(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000152740267 704972196 /nfs/dbraw/zinc/97/21/96/704972196.db2.gz FLMMRWOQFGFGRX-OAHLLOKOSA-N 0 3 363.479 3.051 20 10 FGCDHN CCOc1cccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154892619 705053535 /nfs/dbraw/zinc/05/35/35/705053535.db2.gz VLNXIVPKYZTWER-OAHLLOKOSA-N 0 3 350.459 3.280 20 10 FGCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC000184240124 705925174 /nfs/dbraw/zinc/92/51/74/705925174.db2.gz BBJIJOMFTWHUAT-UHOFOFEASA-N 0 3 350.434 3.266 20 10 FGCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC000184240124 705925176 /nfs/dbraw/zinc/92/51/76/705925176.db2.gz BBJIJOMFTWHUAT-UHOFOFEASA-N 0 3 350.434 3.266 20 10 FGCDHN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000237674922 713595924 /nfs/dbraw/zinc/59/59/24/713595924.db2.gz COMRVAQXHVJMAQ-UKRRQHHQSA-N 0 3 350.459 3.242 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c1[O-] ZINC000378868292 713974929 /nfs/dbraw/zinc/97/49/29/713974929.db2.gz HHKYVKAIBBQYDC-UHFFFAOYSA-N 0 3 354.878 3.181 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccccc2O)s1 ZINC000783504628 724759299 /nfs/dbraw/zinc/75/92/99/724759299.db2.gz IAMLYBVOTWPWTD-ZDUSSCGKSA-N 0 3 368.524 3.335 20 10 FGCDHN CN(C)c1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000734843233 722510507 /nfs/dbraw/zinc/51/05/07/722510507.db2.gz HJPWESFWZRKEPQ-ZWKOTPCHSA-N 0 3 352.400 3.377 20 10 FGCDHN CCCN(CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000743870280 722572107 /nfs/dbraw/zinc/57/21/07/722572107.db2.gz OKUAJMDGBVOABK-UHFFFAOYSA-N 0 3 363.479 3.087 20 10 FGCDHN CCNC(=O)C1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CCC1 ZINC000754101510 722927486 /nfs/dbraw/zinc/92/74/86/722927486.db2.gz GHZZKSWQUBQLFE-GFCCVEGCSA-N 0 3 369.303 3.420 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)c2c1c(F)ccc2[O-] ZINC000756384071 722963757 /nfs/dbraw/zinc/96/37/57/722963757.db2.gz NEBMIZSXSZMBOI-IAQYHMDHSA-N 0 3 364.442 3.241 20 10 FGCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)c([O-])c1 ZINC000790652597 723164273 /nfs/dbraw/zinc/16/42/73/723164273.db2.gz KYCLMDZUQLCDMV-AWEZNQCLSA-N 0 3 363.479 3.435 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000763425596 723342410 /nfs/dbraw/zinc/34/24/10/723342410.db2.gz RGVFHHGKCRVUEU-GFCCVEGCSA-N 0 3 368.246 3.235 20 10 FGCDHN C[C@@H]1SCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768445204 723657674 /nfs/dbraw/zinc/65/76/74/723657674.db2.gz GKWFBARQYRDRLQ-VIZZQPHQSA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768445204 723657675 /nfs/dbraw/zinc/65/76/75/723657675.db2.gz GKWFBARQYRDRLQ-VIZZQPHQSA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]1SCCN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768445204 723657676 /nfs/dbraw/zinc/65/76/76/723657676.db2.gz GKWFBARQYRDRLQ-VIZZQPHQSA-N 0 3 357.475 3.497 20 10 FGCDHN C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439949 723657709 /nfs/dbraw/zinc/65/77/09/723657709.db2.gz AUAKGLFUABBJHT-MRXNPFEDSA-N 0 3 353.340 3.469 20 10 FGCDHN C[N@H+](Cc1ccccc1C(F)(F)F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439949 723657710 /nfs/dbraw/zinc/65/77/10/723657710.db2.gz AUAKGLFUABBJHT-MRXNPFEDSA-N 0 3 353.340 3.469 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000797139877 723785829 /nfs/dbraw/zinc/78/58/29/723785829.db2.gz JWXYSMZZZXXDOW-MXWKQRLJSA-N 0 3 366.462 3.259 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000775048886 723956088 /nfs/dbraw/zinc/95/60/88/723956088.db2.gz WJLYWSBSXPVKDR-KGLIPLIRSA-N 0 3 350.459 3.278 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CCOCC(F)(F)C(F)F)c1[O-] ZINC000775148140 723964004 /nfs/dbraw/zinc/96/40/04/723964004.db2.gz YJWREMFGRWVQGM-UHFFFAOYSA-N 0 3 374.172 3.470 20 10 FGCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500120 723996376 /nfs/dbraw/zinc/99/63/76/723996376.db2.gz WKSAJTFNKZSRPM-MAUKXSAKSA-N 0 3 353.938 3.360 20 10 FGCDHN CC(C)CN(CC(F)(F)F)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834415 724069226 /nfs/dbraw/zinc/06/92/26/724069226.db2.gz NVRJUTJQTQWLBI-CQSZACIVSA-N 0 3 359.436 3.450 20 10 FGCDHN COc1ccc(N2CCN(CCNCc3sccc3Cl)CC2)cc1 ZINC000785436188 724912267 /nfs/dbraw/zinc/91/22/67/724912267.db2.gz OBWTVBBYYWZURD-UHFFFAOYSA-N 0 3 365.930 3.322 20 10 FGCDHN CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808676731 725212838 /nfs/dbraw/zinc/21/28/38/725212838.db2.gz PZSWMRBCKOOTQL-CYBMUJFWSA-N 0 3 374.934 3.209 20 10 FGCDHN COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808685512 725213394 /nfs/dbraw/zinc/21/33/94/725213394.db2.gz SMIRUAQRSOBDGV-ZDUSSCGKSA-N 0 3 362.857 3.443 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c1[O-] ZINC000808705971 725214453 /nfs/dbraw/zinc/21/44/53/725214453.db2.gz VUPWGGFLJPFDLM-SKDRFNHKSA-N 0 3 350.768 3.168 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000816642128 727183982 /nfs/dbraw/zinc/18/39/82/727183982.db2.gz QBBYRGVOSMOZPQ-KRWDZBQOSA-N 0 3 353.304 3.381 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000816642128 727183984 /nfs/dbraw/zinc/18/39/84/727183984.db2.gz QBBYRGVOSMOZPQ-KRWDZBQOSA-N 0 3 353.304 3.381 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1[O-] ZINC000822526322 729190902 /nfs/dbraw/zinc/19/09/02/729190902.db2.gz SNLSNLQSIFNEOT-GOSISDBHSA-N 0 3 369.889 3.102 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1Cl ZINC000825940004 729400153 /nfs/dbraw/zinc/40/01/53/729400153.db2.gz KJLVGQVIBDBXES-AWEZNQCLSA-N 0 3 362.857 3.454 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1[O-] ZINC000827943603 729437587 /nfs/dbraw/zinc/43/75/87/729437587.db2.gz XPYGSOANLXKQEY-GOSISDBHSA-N 0 3 362.857 3.443 20 10 FGCDHN COc1cc(Cl)cc(CN[C@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000827943603 729437588 /nfs/dbraw/zinc/43/75/88/729437588.db2.gz XPYGSOANLXKQEY-GOSISDBHSA-N 0 3 362.857 3.443 20 10 FGCDHN CC[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccsc1 ZINC000834585077 729816360 /nfs/dbraw/zinc/81/63/60/729816360.db2.gz FKCSEHAVFDZEBE-SFHVURJKSA-N 0 3 364.536 3.224 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1[O-] ZINC000835067909 729855265 /nfs/dbraw/zinc/85/52/65/729855265.db2.gz WVRJIDCNZNGUSQ-HNNXBMFYSA-N 0 3 370.877 3.080 20 10 FGCDHN CSc1ccc([C@H](CNC(=O)NCc2ccccc2O)N(C)C)cc1 ZINC000838062311 730088067 /nfs/dbraw/zinc/08/80/67/730088067.db2.gz SFUPJZSAAKZOMF-KRWDZBQOSA-N 0 3 359.495 3.216 20 10 FGCDHN Cc1cc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)nn1C ZINC000840890538 730188656 /nfs/dbraw/zinc/18/86/56/730188656.db2.gz NTNBBLKCZHDFNL-UHFFFAOYSA-N 0 3 350.413 3.089 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c1[O-] ZINC000840961143 730197917 /nfs/dbraw/zinc/19/79/17/730197917.db2.gz RBSQZYDJBUIGCD-OAHLLOKOSA-N 0 3 364.829 3.264 20 10 FGCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000843406340 730616055 /nfs/dbraw/zinc/61/60/55/730616055.db2.gz HIAIMMUDOXQPQL-UKRRQHHQSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOc2cccnc2)c1[O-] ZINC000848529969 731176066 /nfs/dbraw/zinc/17/60/66/731176066.db2.gz APQWSHORVCHASE-LLVKDONJSA-N 0 3 367.243 3.288 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c1[O-] ZINC000848533133 731176696 /nfs/dbraw/zinc/17/66/96/731176696.db2.gz OGZSOHTYTBOBKQ-GMXVVIOVSA-N 0 3 358.276 3.365 20 10 FGCDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848545948 731179012 /nfs/dbraw/zinc/17/90/12/731179012.db2.gz OAJIOGJEBVTLED-RIEGTJTDSA-N 0 3 374.275 3.008 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1[O-] ZINC000848575581 731184427 /nfs/dbraw/zinc/18/44/27/731184427.db2.gz SPTAWTUQMLXJMC-HUUCEWRRSA-N 0 3 369.303 3.270 20 10 FGCDHN COc1cc(CNCCS(=O)(=O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850134689 731324374 /nfs/dbraw/zinc/32/43/74/731324374.db2.gz GEGXPBLFEQLNBU-UHFFFAOYSA-N 0 3 357.516 3.001 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000850563298 731373727 /nfs/dbraw/zinc/37/37/27/731373727.db2.gz VRQXTWXTOVQDAW-ZFWWWQNUSA-N 0 3 351.878 3.295 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)c1[O-] ZINC000858563778 732227478 /nfs/dbraw/zinc/22/74/78/732227478.db2.gz UZLJNRWMCYIXRN-SECBINFHSA-N 0 3 353.216 3.115 20 10 FGCDHN COC(=O)c1cnc(C2CCN(Cc3c(O)cccc3OC)CC2)s1 ZINC000862473984 732839432 /nfs/dbraw/zinc/83/94/32/732839432.db2.gz JXRUYAGFVWSZRS-UHFFFAOYSA-N 0 3 362.451 3.024 20 10 FGCDHN CCCOc1ccc(CNCc2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000873014139 735709444 /nfs/dbraw/zinc/70/94/44/735709444.db2.gz MMDZZYSYPVPDMC-UHFFFAOYSA-N 0 3 362.495 3.445 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@@H]2CCCO2)c1[O-] ZINC000886669645 739280521 /nfs/dbraw/zinc/28/05/21/739280521.db2.gz BODBWKGVSPJKCO-UBHSHLNASA-N 0 3 358.276 3.044 20 10 FGCDHN C[C@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1cc(F)ccc1[O-] ZINC000903263667 743832050 /nfs/dbraw/zinc/83/20/50/743832050.db2.gz NJGMBPIRVRFJFT-ZVLZOBCMSA-N 0 3 361.404 3.385 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c1[O-] ZINC000927156035 759909114 /nfs/dbraw/zinc/90/91/14/759909114.db2.gz LYERLLDCUIJBSX-TUKIKUTGSA-N 0 3 370.287 3.044 20 10 FGCDHN COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779022747 724381600 /nfs/dbraw/zinc/38/16/00/724381600.db2.gz YRPJEIFQSLWTMD-AAEUAGOBSA-N 0 3 371.275 3.345 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000121184084 494634629 /nfs/dbraw/zinc/63/46/29/494634629.db2.gz DACSTVURFQXIGJ-LLVKDONJSA-N 0 3 366.259 3.266 20 10 FGCDHN Clc1cncc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000091676781 494643345 /nfs/dbraw/zinc/64/33/45/494643345.db2.gz YSCACVKAIKYGJA-UHFFFAOYSA-N 0 3 357.889 3.274 20 10 FGCDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010338 494754650 /nfs/dbraw/zinc/75/46/50/494754650.db2.gz FQJJUQJBEJYRHX-CTNGQTDRSA-N 0 3 368.525 3.356 20 10 FGCDHN COc1cccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1O ZINC000092031060 494760762 /nfs/dbraw/zinc/76/07/62/494760762.db2.gz ZKPVTEVCULTUNN-UHFFFAOYSA-N 0 3 373.428 3.326 20 10 FGCDHN Cc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c(C)n1-c1ccccn1 ZINC000119230814 495122914 /nfs/dbraw/zinc/12/29/14/495122914.db2.gz FKQURGCJFYJTGV-IEBWSBKVSA-N 0 3 352.482 3.045 20 10 FGCDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)c1 ZINC000130077110 495338066 /nfs/dbraw/zinc/33/80/66/495338066.db2.gz NCZCDSHQVNFUGP-HIFRSBDPSA-N 0 3 350.413 3.341 20 10 FGCDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000183046128 495812568 /nfs/dbraw/zinc/81/25/68/495812568.db2.gz CPOBHEKORKIRPU-UONOGXRCSA-N 0 3 350.413 3.341 20 10 FGCDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCCO1 ZINC000160198106 495906759 /nfs/dbraw/zinc/90/67/59/495906759.db2.gz UOOWEKGMPXYOOF-IBGZPJMESA-N 0 3 364.449 3.359 20 10 FGCDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCCO1 ZINC000160198106 495906762 /nfs/dbraw/zinc/90/67/62/495906762.db2.gz UOOWEKGMPXYOOF-IBGZPJMESA-N 0 3 364.449 3.359 20 10 FGCDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000183714568 496090495 /nfs/dbraw/zinc/09/04/95/496090495.db2.gz CONQVJLLHIQUFI-INIZCTEOSA-N 0 3 362.514 3.105 20 10 FGCDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000161095751 496102979 /nfs/dbraw/zinc/10/29/79/496102979.db2.gz ZPELOYRNMNEPSJ-OXQOHEQNSA-N 0 3 358.457 3.437 20 10 FGCDHN CCOc1ccc(C(=O)N2CCC([NH2+]Cc3cc(C)ccc3[O-])CC2)cc1 ZINC000172112688 496169739 /nfs/dbraw/zinc/16/97/39/496169739.db2.gz LOIWPSVCGHFUDG-UHFFFAOYSA-N 0 3 368.477 3.494 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)c1 ZINC000184894218 496574164 /nfs/dbraw/zinc/57/41/64/496574164.db2.gz OVUHMMBWZYZGIC-INIZCTEOSA-N 0 3 356.466 3.084 20 10 FGCDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000181965800 496615081 /nfs/dbraw/zinc/61/50/81/496615081.db2.gz UNJILGFOFXUODI-OAHLLOKOSA-N 0 3 371.456 3.472 20 10 FGCDHN C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000164943133 496639859 /nfs/dbraw/zinc/63/98/59/496639859.db2.gz WKQNUQOHMHXWSK-KRWDZBQOSA-N 0 3 353.466 3.203 20 10 FGCDHN C[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154080206 496677010 /nfs/dbraw/zinc/67/70/10/496677010.db2.gz XBTISRJXJQKHST-DNVCBOLYSA-N 0 3 361.461 3.209 20 10 FGCDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268757560 496775603 /nfs/dbraw/zinc/77/56/03/496775603.db2.gz MBEQCVBAJYVAGY-SJORKVTESA-N 0 3 350.528 3.152 20 10 FGCDHN CC[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000268824760 496796831 /nfs/dbraw/zinc/79/68/31/496796831.db2.gz MZHKXWCFYURHNV-LJQANCHMSA-N 0 3 361.511 3.365 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273417084 496800165 /nfs/dbraw/zinc/80/01/65/496800165.db2.gz RAZOPGWXHFPUDE-AWEZNQCLSA-N 0 3 359.426 3.092 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000273583520 496845714 /nfs/dbraw/zinc/84/57/14/496845714.db2.gz NEBCPBXCTHHTJS-ZDUSSCGKSA-N 0 3 350.459 3.451 20 10 FGCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000273599757 496849683 /nfs/dbraw/zinc/84/96/83/496849683.db2.gz RTLGWTFCVMIMKI-KRWDZBQOSA-N 0 3 367.493 3.220 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccccc1[O-] ZINC000274819476 497174382 /nfs/dbraw/zinc/17/43/82/497174382.db2.gz BKAVHIOZBFGZBP-KRWDZBQOSA-N 0 3 372.465 3.109 20 10 FGCDHN COc1ccc([C@@H]2[C@H](CNC(=O)Cc3ccc(N)cc3)CCCN2C)cc1 ZINC000237304962 497217872 /nfs/dbraw/zinc/21/78/72/497217872.db2.gz MVRSLLICLAIDFE-PGRDOPGGSA-N 0 3 367.493 3.019 20 10 FGCDHN CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])c1 ZINC000280099226 497649390 /nfs/dbraw/zinc/64/93/90/497649390.db2.gz MYSJLPILQBRLBD-LJQANCHMSA-N 0 3 356.466 3.456 20 10 FGCDHN COc1cc(CN(Cc2cc(OC)c(OC)cc2O)C2CC2)ccc1O ZINC000276804432 497658968 /nfs/dbraw/zinc/65/89/68/497658968.db2.gz WJOJFPDDGGZPDL-UHFFFAOYSA-N 0 3 359.422 3.288 20 10 FGCDHN Cc1ccccc1CN1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299539404 497840559 /nfs/dbraw/zinc/84/05/59/497840559.db2.gz UZHBQXSRQPCBSU-UHFFFAOYSA-N 0 3 353.466 3.164 20 10 FGCDHN COC1CCN(c2ccc(CN3C[C@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000295941914 497862843 /nfs/dbraw/zinc/86/28/43/497862843.db2.gz HZCVOVYFHPIRIM-SFHVURJKSA-N 0 3 374.525 3.072 20 10 FGCDHN CCOc1cccc(CN2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1O ZINC000364256827 497865336 /nfs/dbraw/zinc/86/53/36/497865336.db2.gz AWYRDVRQZHBFDA-KRWDZBQOSA-N 0 3 358.438 3.357 20 10 FGCDHN CN(C)c1ccc(CNC(C)(C)CCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000280848824 497921621 /nfs/dbraw/zinc/92/16/21/497921621.db2.gz LFNFEAZBOIZZRE-UHFFFAOYSA-N 0 3 366.449 3.074 20 10 FGCDHN Cc1cccc(CN[C@](C)(CO)c2ccc(Br)cc2)c1O ZINC000289245583 498074781 /nfs/dbraw/zinc/07/47/81/498074781.db2.gz DXMGSYFWYPMKKA-QGZVFWFLSA-N 0 3 350.256 3.460 20 10 FGCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCCn1cc(Br)cn1)CC2 ZINC000296618170 498124673 /nfs/dbraw/zinc/12/46/73/498124673.db2.gz YYSHPXJFPZHQHM-AWEZNQCLSA-N 0 3 350.260 3.409 20 10 FGCDHN Cc1cc(Br)cc(CN(CCCO)Cc2ccccn2)c1O ZINC000289392940 498130665 /nfs/dbraw/zinc/13/06/65/498130665.db2.gz FEOMLMZMMHWDBP-UHFFFAOYSA-N 0 3 365.271 3.243 20 10 FGCDHN COc1ccc([C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N(C)C)cc1OC ZINC000296992940 498280075 /nfs/dbraw/zinc/28/00/75/498280075.db2.gz SKMFJEGGYHAHMR-IRXDYDNUSA-N 0 3 356.466 3.289 20 10 FGCDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000287229335 498680834 /nfs/dbraw/zinc/68/08/34/498680834.db2.gz YCROLFGBOYXCNB-IAGOWNOFSA-N 0 3 350.528 3.152 20 10 FGCDHN CC(=O)N1CCCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000294616296 498750428 /nfs/dbraw/zinc/75/04/28/498750428.db2.gz XIYXOFORDXAKOR-UHFFFAOYSA-N 0 3 357.523 3.439 20 10 FGCDHN CCCOc1ccc(CNCc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000288375729 499008829 /nfs/dbraw/zinc/00/88/29/499008829.db2.gz FPPWJEDCYCNKLN-INIZCTEOSA-N 0 3 372.465 3.281 20 10 FGCDHN CN1CCC(Oc2ccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000283945179 499018126 /nfs/dbraw/zinc/01/81/26/499018126.db2.gz JYGOTKPVGCLDQG-UHFFFAOYSA-N 0 3 371.437 3.063 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(c3nnc4cc(C)ccn43)CC2)c1 ZINC000364114627 499118127 /nfs/dbraw/zinc/11/81/27/499118127.db2.gz FSQJWELAJRAWAC-UHFFFAOYSA-N 0 3 352.438 3.132 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c1 ZINC000372602070 499152444 /nfs/dbraw/zinc/15/24/44/499152444.db2.gz VLHYRFFAGAAFOC-AWEZNQCLSA-N 0 3 355.438 3.208 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C(C)C)cc1OC ZINC000367221322 499163652 /nfs/dbraw/zinc/16/36/52/499163652.db2.gz IGRFZGCLXKCFQL-INIZCTEOSA-N 0 3 359.470 3.394 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2Cn2ccnc2C(C)C)cc1OC ZINC000367221322 499163653 /nfs/dbraw/zinc/16/36/53/499163653.db2.gz IGRFZGCLXKCFQL-INIZCTEOSA-N 0 3 359.470 3.394 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377890 499191332 /nfs/dbraw/zinc/19/13/32/499191332.db2.gz MWDYWGGWJKFZHT-CABCVRRESA-N 0 3 358.438 3.197 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367377890 499191335 /nfs/dbraw/zinc/19/13/35/499191335.db2.gz MWDYWGGWJKFZHT-CABCVRRESA-N 0 3 358.438 3.197 20 10 FGCDHN CCN1CCC[C@@H](C[N@H+](C)Cc2cc(C)ccc2[O-])[C@@H]1c1cnn(C)c1 ZINC000370306566 499207690 /nfs/dbraw/zinc/20/76/90/499207690.db2.gz WFVZUKRGGHRDBV-LAUBAEHRSA-N 0 3 356.514 3.339 20 10 FGCDHN CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2[O-])[C@@H]1c1cnn(C)c1 ZINC000370306566 499207691 /nfs/dbraw/zinc/20/76/91/499207691.db2.gz WFVZUKRGGHRDBV-LAUBAEHRSA-N 0 3 356.514 3.339 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000370375424 499214468 /nfs/dbraw/zinc/21/44/68/499214468.db2.gz UVCFWMZGEFGGSQ-HOTGVXAUSA-N 0 3 353.466 3.119 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000367841946 499237383 /nfs/dbraw/zinc/23/73/83/499237383.db2.gz VTIREHSKOADDOB-KRWDZBQOSA-N 0 3 362.470 3.280 20 10 FGCDHN COc1cc([O-])c(C[NH2+]Cc2cccc(-c3nccn3C)c2)cc1OC ZINC000371515038 499336868 /nfs/dbraw/zinc/33/68/68/499336868.db2.gz RZPASJJOISVFRK-UHFFFAOYSA-N 0 3 353.422 3.100 20 10 FGCDHN COc1cc(O)c(CNCc2cccc(-c3nccn3C)c2)cc1OC ZINC000371515038 499336870 /nfs/dbraw/zinc/33/68/70/499336870.db2.gz RZPASJJOISVFRK-UHFFFAOYSA-N 0 3 353.422 3.100 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c1 ZINC000372436590 499434916 /nfs/dbraw/zinc/43/49/16/499434916.db2.gz ULZNJGMPFSRITE-HNNXBMFYSA-N 0 3 357.454 3.107 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c1 ZINC000372436590 499434917 /nfs/dbraw/zinc/43/49/17/499434917.db2.gz ULZNJGMPFSRITE-HNNXBMFYSA-N 0 3 357.454 3.107 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621090 499711353 /nfs/dbraw/zinc/71/13/53/499711353.db2.gz GHXQSRBWTDSQNP-HOCLYGCPSA-N 0 3 374.485 3.140 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621090 499711354 /nfs/dbraw/zinc/71/13/54/499711354.db2.gz GHXQSRBWTDSQNP-HOCLYGCPSA-N 0 3 374.485 3.140 20 10 FGCDHN NC(=O)c1ccc2[nH]cc(C3CC[NH+](Cc4cc(F)ccc4[O-])CC3)c2c1 ZINC000377624294 499712319 /nfs/dbraw/zinc/71/23/19/499712319.db2.gz KUMDUFQXQCUONO-UHFFFAOYSA-N 0 3 367.424 3.491 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000377691378 499720612 /nfs/dbraw/zinc/72/06/12/499720612.db2.gz DAGVYNLHLLVLDN-MRXNPFEDSA-N 0 3 362.905 3.438 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000377691378 499720613 /nfs/dbraw/zinc/72/06/13/499720613.db2.gz DAGVYNLHLLVLDN-MRXNPFEDSA-N 0 3 362.905 3.438 20 10 FGCDHN COc1cccc([C@@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2(C)C)c1 ZINC000530101542 503837298 /nfs/dbraw/zinc/83/72/98/503837298.db2.gz IQGHGJXXWOAIPH-AZUAARDMSA-N 0 3 369.461 3.452 20 10 FGCDHN COc1cccc([C@@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2(C)C)c1 ZINC000530101542 503837300 /nfs/dbraw/zinc/83/73/00/503837300.db2.gz IQGHGJXXWOAIPH-AZUAARDMSA-N 0 3 369.461 3.452 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCc4ccccc4O3)C1)[C@@H](O)CO2 ZINC000530102853 503838529 /nfs/dbraw/zinc/83/85/29/503838529.db2.gz BIOLUVBMFNQIMK-SIKLNZKXSA-N 0 3 367.445 3.178 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCc4ccccc4O3)C1)[C@@H](O)CO2 ZINC000530102853 503838533 /nfs/dbraw/zinc/83/85/33/503838533.db2.gz BIOLUVBMFNQIMK-SIKLNZKXSA-N 0 3 367.445 3.178 20 10 FGCDHN CCOCc1cc(CNC[C@@H]2c3ccccc3C(=O)N2C)ccc1OC ZINC000527807884 503953619 /nfs/dbraw/zinc/95/36/19/503953619.db2.gz PQHCLFVLDLOSEV-LJQANCHMSA-N 0 3 354.450 3.148 20 10 FGCDHN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2c(c1)OCCNC2 ZINC000528712068 504343188 /nfs/dbraw/zinc/34/31/88/504343188.db2.gz IHFLDOVCHCQLMU-UHFFFAOYSA-N 0 3 367.449 3.075 20 10 FGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C(C)C)N(C)C ZINC000120988007 700663421 /nfs/dbraw/zinc/66/34/21/700663421.db2.gz RZUUSTMPJOLNEI-HNNXBMFYSA-N 0 3 357.292 3.089 20 10 FGCDHN C[C@@H](CCn1cccn1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779339702 724408379 /nfs/dbraw/zinc/40/83/79/724408379.db2.gz FMOLYDYXNKBKOK-YJBOKZPZSA-N 0 3 362.905 3.275 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1O ZINC000779431948 724413191 /nfs/dbraw/zinc/41/31/91/724413191.db2.gz IKBJHPIMVWKZET-KBPBESRZSA-N 0 3 372.303 3.392 20 10 FGCDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(Br)cc(C)c2[O-])C1(C)C ZINC000783724346 724782139 /nfs/dbraw/zinc/78/21/39/724782139.db2.gz VEYNPLQEFRXEMA-YOEHRIQHSA-N 0 3 372.303 3.119 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c2c1c(F)ccc2[O-] ZINC000756759880 722969656 /nfs/dbraw/zinc/96/96/56/722969656.db2.gz NIJFTNUOJXSOCD-ADEWGFFLSA-N 0 3 360.351 3.223 20 10 FGCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000761432257 723153443 /nfs/dbraw/zinc/15/34/43/723153443.db2.gz KQCPLBUJVSHHDI-CJNGLKHVSA-N 0 3 358.511 3.004 20 10 FGCDHN CS(=O)(=O)c1cc(CNCc2ccccc2O)cc(C(F)(F)F)c1 ZINC000790601744 723157086 /nfs/dbraw/zinc/15/70/86/723157086.db2.gz OGAKIMUJCCARPE-UHFFFAOYSA-N 0 3 359.369 3.104 20 10 FGCDHN C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000762649912 723266965 /nfs/dbraw/zinc/26/69/65/723266965.db2.gz OLLRLMWZHYPAKY-UONOGXRCSA-N 0 3 371.319 3.306 20 10 FGCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000795695839 723605952 /nfs/dbraw/zinc/60/59/52/723605952.db2.gz VYTRJMKFWSAEBL-QGZVFWFLSA-N 0 3 357.372 3.198 20 10 FGCDHN COc1cccc([O-])c1C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000768344680 723654729 /nfs/dbraw/zinc/65/47/29/723654729.db2.gz MRXYWTDEJBCBPI-UHFFFAOYSA-N 0 3 350.459 3.138 20 10 FGCDHN C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442228 723657703 /nfs/dbraw/zinc/65/77/03/723657703.db2.gz KUUYMGBJOVFPFS-GOSISDBHSA-N 0 3 363.841 3.372 20 10 FGCDHN C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768442228 723657704 /nfs/dbraw/zinc/65/77/04/723657704.db2.gz KUUYMGBJOVFPFS-GOSISDBHSA-N 0 3 363.841 3.372 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](CSc3ccccc3)C1)[C@H](O)CO2 ZINC000768466141 723658413 /nfs/dbraw/zinc/65/84/13/723658413.db2.gz MUAIUAUUJIUPJH-IFXJQAMLSA-N 0 3 357.475 3.432 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](CSc3ccccc3)C1)[C@H](O)CO2 ZINC000768466141 723658414 /nfs/dbraw/zinc/65/84/14/723658414.db2.gz MUAIUAUUJIUPJH-IFXJQAMLSA-N 0 3 357.475 3.432 20 10 FGCDHN Oc1cc2c(cc1CN1CC[C@@H](Oc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463438 723658434 /nfs/dbraw/zinc/65/84/34/723658434.db2.gz TYDTZWGOYAXAPN-CXAGYDPISA-N 0 3 361.825 3.125 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000770376636 723712274 /nfs/dbraw/zinc/71/22/74/723712274.db2.gz WIEOBQWLQOFDAF-STQMWFEESA-N 0 3 370.287 3.412 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000770376636 723712276 /nfs/dbraw/zinc/71/22/76/723712276.db2.gz WIEOBQWLQOFDAF-STQMWFEESA-N 0 3 370.287 3.412 20 10 FGCDHN Cc1cc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1N(C)C ZINC000772995866 723774240 /nfs/dbraw/zinc/77/42/40/723774240.db2.gz FNUHNWZFDGAKFW-OAHLLOKOSA-N 0 3 361.511 3.283 20 10 FGCDHN COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000798952972 723978758 /nfs/dbraw/zinc/97/87/58/723978758.db2.gz AAKSAXYVAMPQDY-IBGZPJMESA-N 0 3 350.459 3.138 20 10 FGCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806138324 725117584 /nfs/dbraw/zinc/11/75/84/725117584.db2.gz UBUNLHDKDXYZHC-YJBOKZPZSA-N 0 3 353.938 3.360 20 10 FGCDHN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808679408 725213292 /nfs/dbraw/zinc/21/32/92/725213292.db2.gz NPFWEOUNMSTZGS-LBPRGKRZSA-N 0 3 368.886 3.113 20 10 FGCDHN CC[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216930 725297334 /nfs/dbraw/zinc/29/73/34/725297334.db2.gz STPVGMCCNYEDKE-BBRMVZONSA-N 0 3 359.436 3.088 20 10 FGCDHN COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000811499237 725369643 /nfs/dbraw/zinc/36/96/43/725369643.db2.gz KUKPFSOATRPTQI-HNNXBMFYSA-N 0 3 352.475 3.430 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000811518239 725372211 /nfs/dbraw/zinc/37/22/11/725372211.db2.gz HPDLVSPQVVAYJQ-OAHLLOKOSA-N 0 3 358.276 3.050 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000811518238 725372244 /nfs/dbraw/zinc/37/22/44/725372244.db2.gz HPDLVSPQVVAYJQ-HNNXBMFYSA-N 0 3 358.276 3.050 20 10 FGCDHN CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1=O ZINC000817589868 727268877 /nfs/dbraw/zinc/26/88/77/727268877.db2.gz QORODCSUUQZFMD-QWHCGFSZSA-N 0 3 369.303 3.372 20 10 FGCDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000820700433 729018579 /nfs/dbraw/zinc/01/85/79/729018579.db2.gz HBVXBFJLGQIJME-UHFFFAOYSA-N 0 3 359.455 3.115 20 10 FGCDHN C[C@H](CN(C)Cc1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000823371847 729272753 /nfs/dbraw/zinc/27/27/53/729272753.db2.gz NEHLKKMJPAMNEV-MRXNPFEDSA-N 0 3 360.523 3.392 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824715789 729356299 /nfs/dbraw/zinc/35/62/99/729356299.db2.gz NOBOUCRXUJIXSM-RRFJBIMHSA-N 0 3 370.287 3.289 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[O-] ZINC000824715789 729356300 /nfs/dbraw/zinc/35/63/00/729356300.db2.gz NOBOUCRXUJIXSM-RRFJBIMHSA-N 0 3 370.287 3.289 20 10 FGCDHN CCc1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000840900491 730189184 /nfs/dbraw/zinc/18/91/84/730189184.db2.gz YPCVZZJQALZRQV-QGZVFWFLSA-N 0 3 360.889 3.152 20 10 FGCDHN [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000841099193 730211251 /nfs/dbraw/zinc/21/12/51/730211251.db2.gz HGTGQUYHQSGCRG-DOTOQJQBSA-N 0 3 359.297 3.417 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)cc1[O-] ZINC000841743912 730269902 /nfs/dbraw/zinc/26/99/02/730269902.db2.gz DFPDXPVFFMFMKT-CQSZACIVSA-N 0 3 360.889 3.043 20 10 FGCDHN C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)cc1[O-] ZINC000841743909 730269912 /nfs/dbraw/zinc/26/99/12/730269912.db2.gz DFPDXPVFFMFMKT-AWEZNQCLSA-N 0 3 360.889 3.043 20 10 FGCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(OC)c2O)s1 ZINC000846168697 730933206 /nfs/dbraw/zinc/93/32/06/730933206.db2.gz UBWAZEFCVZJUDR-NSHDSACASA-N 0 3 355.481 3.107 20 10 FGCDHN CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848513879 731173752 /nfs/dbraw/zinc/17/37/52/731173752.db2.gz HWJMCIXNKQTNCQ-WCQYABFASA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000848548172 731179463 /nfs/dbraw/zinc/17/94/63/731179463.db2.gz AWNYUIYNEJWJQM-GXFFZTMASA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000848551319 731180205 /nfs/dbraw/zinc/18/02/05/731180205.db2.gz JPKAYTQVFHVRCO-KOLCDFICSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1[O-] ZINC000850421501 731355501 /nfs/dbraw/zinc/35/55/01/731355501.db2.gz YAULOMJLKPUHKG-BZNIZROVSA-N 0 3 366.255 3.375 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000858284333 732200416 /nfs/dbraw/zinc/20/04/16/732200416.db2.gz FTHBULGWQYRYDB-UONOGXRCSA-N 0 3 350.459 3.278 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1[O-] ZINC000865762084 733264780 /nfs/dbraw/zinc/26/47/80/733264780.db2.gz LERUAIIWWNKVSP-MLGOLLRUSA-N 0 3 370.287 3.458 20 10 FGCDHN NS(=O)(=O)c1ccc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000876722207 736136595 /nfs/dbraw/zinc/13/65/95/736136595.db2.gz PTSULHFEYKJOMV-UHFFFAOYSA-N 0 3 366.508 3.046 20 10 FGCDHN CN(C)c1cc(F)c(CNC[C@H]2CCC3(CCOCC3)CO2)cc1F ZINC000883252970 737541266 /nfs/dbraw/zinc/54/12/66/737541266.db2.gz FMRCDFGEZZGMTQ-OAHLLOKOSA-N 0 3 354.441 3.096 20 10 FGCDHN C[C@@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000883373623 737559688 /nfs/dbraw/zinc/55/96/88/737559688.db2.gz WIIIQPVBYLZJFB-FVQBIDKESA-N 0 3 354.491 3.042 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)c2coc(C(F)F)c2)N(C)C)cc1 ZINC000891247205 739885937 /nfs/dbraw/zinc/88/59/37/739885937.db2.gz RKHBHTAIMNFQRR-HNNXBMFYSA-N 0 3 351.397 3.316 20 10 FGCDHN CC(C)c1ncsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249829 739886665 /nfs/dbraw/zinc/88/66/65/739886665.db2.gz TWKASVSBGWPQNA-INIZCTEOSA-N 0 3 360.527 3.365 20 10 FGCDHN Cc1csc([C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891248878 739886698 /nfs/dbraw/zinc/88/66/98/739886698.db2.gz NXVKMRBDCVUNRR-RHSMWYFYSA-N 0 3 360.527 3.040 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000903259546 743831285 /nfs/dbraw/zinc/83/12/85/743831285.db2.gz FTKXYVAKWCMUGL-FMGDLQRFSA-N 0 3 356.260 3.381 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000779039603 724383793 /nfs/dbraw/zinc/38/37/93/724383793.db2.gz DFHQKSPNBCTSQV-UFBFGSQYSA-N 0 3 356.182 3.427 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093685092 494912492 /nfs/dbraw/zinc/91/24/92/494912492.db2.gz YXECJYMFGWZTQE-AWEZNQCLSA-N 0 3 374.403 3.024 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093685092 494912496 /nfs/dbraw/zinc/91/24/96/494912496.db2.gz YXECJYMFGWZTQE-AWEZNQCLSA-N 0 3 374.403 3.024 20 10 FGCDHN Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([O-])c1O ZINC000179527083 495628924 /nfs/dbraw/zinc/62/89/24/495628924.db2.gz FVAPPEBYRLRCHS-KRWDZBQOSA-N 0 3 354.450 3.000 20 10 FGCDHN Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([O-])c1O ZINC000179527083 495628926 /nfs/dbraw/zinc/62/89/26/495628926.db2.gz FVAPPEBYRLRCHS-KRWDZBQOSA-N 0 3 354.450 3.000 20 10 FGCDHN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000186049933 495836742 /nfs/dbraw/zinc/83/67/42/495836742.db2.gz WKOSKWGIGWZZDO-HNAYVOBHSA-N 0 3 354.450 3.161 20 10 FGCDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000183607772 496046420 /nfs/dbraw/zinc/04/64/20/496046420.db2.gz LJHSWQQEZGESGV-INIZCTEOSA-N 0 3 374.506 3.037 20 10 FGCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1cccs1)N1CCCC1 ZINC000180606267 496064710 /nfs/dbraw/zinc/06/47/10/496064710.db2.gz PGGIJMXCOOZCFX-PMGBHYCQSA-N 0 3 358.463 3.126 20 10 FGCDHN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCN(Cc2cccs2)CC1 ZINC000180723786 496119290 /nfs/dbraw/zinc/11/92/90/496119290.db2.gz AOIHKJLHYWWAIS-GQCTYLIASA-N 0 3 372.490 3.201 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)cc1OC ZINC000181068688 496259874 /nfs/dbraw/zinc/25/98/74/496259874.db2.gz VEPPXQBSHMPBLN-INIZCTEOSA-N 0 3 360.454 3.238 20 10 FGCDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)c1 ZINC000157725420 496539345 /nfs/dbraw/zinc/53/93/45/496539345.db2.gz SEJNALUJXZCXPN-ZDUSSCGKSA-N 0 3 350.413 3.341 20 10 FGCDHN COc1cc(Cl)cc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000184939520 496593650 /nfs/dbraw/zinc/59/36/50/496593650.db2.gz JFORUXBJIUFRQO-IQMFZBJNSA-N 0 3 353.871 3.264 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000185109521 496664167 /nfs/dbraw/zinc/66/41/67/496664167.db2.gz ISPIEHYJDPWUSB-CABCVRRESA-N 0 3 362.495 3.363 20 10 FGCDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCc4c3cnn4C)cc2F)C[C@@H](C)O1 ZINC000268782272 496784300 /nfs/dbraw/zinc/78/43/00/496784300.db2.gz DKGKCUSRIUPPAR-SPYBWZPUSA-N 0 3 372.488 3.340 20 10 FGCDHN Cc1ccc([C@@H](C)NCc2cccc(C(=O)N3CCOCC3)c2)c(O)c1C ZINC000273407088 496796923 /nfs/dbraw/zinc/79/69/23/496796923.db2.gz OREWWUMPGTXHSL-QGZVFWFLSA-N 0 3 368.477 3.332 20 10 FGCDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000273418210 496800393 /nfs/dbraw/zinc/80/03/93/496800393.db2.gz RLYJQCUKWUUHFP-AWEZNQCLSA-N 0 3 374.506 3.030 20 10 FGCDHN COc1c([O-])c(C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475935 497128164 /nfs/dbraw/zinc/12/81/64/497128164.db2.gz ILYUSQKICNGRMP-DZGCQCFKSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1c([O-])c(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475935 497128168 /nfs/dbraw/zinc/12/81/68/497128168.db2.gz ILYUSQKICNGRMP-DZGCQCFKSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1c([O-])c(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475935 497128172 /nfs/dbraw/zinc/12/81/72/497128172.db2.gz ILYUSQKICNGRMP-DZGCQCFKSA-N 0 3 363.458 3.052 20 10 FGCDHN COc1ccc(N2CCCN(C(=O)[C@@H](C)[C@@H](N)c3ccccc3)CC2)cc1 ZINC000237264175 497212335 /nfs/dbraw/zinc/21/23/35/497212335.db2.gz VMNUANDJURMJGM-LAUBAEHRSA-N 0 3 367.493 3.070 20 10 FGCDHN C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(Br)cc1[O-] ZINC000279007602 497300802 /nfs/dbraw/zinc/30/08/02/497300802.db2.gz SKNNDMZQQGQPQB-NWDGAFQWSA-N 0 3 350.260 3.264 20 10 FGCDHN CCOCc1cc(CN[C@H]2CCO[C@@H]2c2nccn2CC)ccc1OC ZINC000275582044 497372165 /nfs/dbraw/zinc/37/21/65/497372165.db2.gz PBRUUXJDRHMXNZ-HKUYNNGSSA-N 0 3 359.470 3.068 20 10 FGCDHN COc1cccc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000272646225 497689094 /nfs/dbraw/zinc/68/90/94/497689094.db2.gz PAGHTWQVKRZXAP-KBPBESRZSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000272646225 497689099 /nfs/dbraw/zinc/68/90/99/497689099.db2.gz PAGHTWQVKRZXAP-KBPBESRZSA-N 0 3 350.459 3.136 20 10 FGCDHN CC(C)N(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000276978225 497704835 /nfs/dbraw/zinc/70/48/35/497704835.db2.gz RWXLWZSNOHYYHI-UHFFFAOYSA-N 0 3 354.498 3.053 20 10 FGCDHN CCOc1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1[O-] ZINC000280476532 497766045 /nfs/dbraw/zinc/76/60/45/497766045.db2.gz DCGPHQJOFWOZDJ-UHFFFAOYSA-N 0 3 368.275 3.320 20 10 FGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272949502 497768950 /nfs/dbraw/zinc/76/89/50/497768950.db2.gz MPDNCHUWWXDVKX-KRWDZBQOSA-N 0 3 358.530 3.323 20 10 FGCDHN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1=CCN(C)CC1 ZINC000273024140 497785713 /nfs/dbraw/zinc/78/57/13/497785713.db2.gz UFPOECQMOUNFDF-MRXNPFEDSA-N 0 3 356.514 3.077 20 10 FGCDHN CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000280890584 497936982 /nfs/dbraw/zinc/93/69/82/497936982.db2.gz FBXZKEYTWYLHLH-JSGCOSHPSA-N 0 3 369.303 3.372 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)c1 ZINC000365045162 498270517 /nfs/dbraw/zinc/27/05/17/498270517.db2.gz UEQOAXVPEYXMAY-HXUWFJFHSA-N 0 3 360.498 3.404 20 10 FGCDHN COc1ccc([C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N(C)C)cc1OC ZINC000296992950 498280111 /nfs/dbraw/zinc/28/01/11/498280111.db2.gz SKMFJEGGYHAHMR-SJORKVTESA-N 0 3 356.466 3.289 20 10 FGCDHN COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1OC ZINC000290178954 498454342 /nfs/dbraw/zinc/45/43/42/498454342.db2.gz NJBHDOMXRRGJHS-VFNWGFHPSA-N 0 3 359.466 3.362 20 10 FGCDHN NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2c([O-])ccc3ccccc32)C1 ZINC000362020049 498454983 /nfs/dbraw/zinc/45/49/83/498454983.db2.gz GKLVGNNSQRUFDY-MRXNPFEDSA-N 0 3 361.445 3.013 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1[O-] ZINC000363850450 499024395 /nfs/dbraw/zinc/02/43/95/499024395.db2.gz HKDSESKUFSCNMY-YOEHRIQHSA-N 0 3 366.440 3.379 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1[O-] ZINC000363851744 499025949 /nfs/dbraw/zinc/02/59/49/499025949.db2.gz IJMSEFZDGLLBOD-WFASDCNBSA-N 0 3 360.433 3.107 20 10 FGCDHN CCC(=O)N1CC[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000295662031 499074680 /nfs/dbraw/zinc/07/46/80/499074680.db2.gz JLCJKSXHZBTAIZ-QGZVFWFLSA-N 0 3 357.523 3.485 20 10 FGCDHN CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1[O-] ZINC000370773788 499253150 /nfs/dbraw/zinc/25/31/50/499253150.db2.gz NOBDTSVIWUDEKV-UHFFFAOYSA-N 0 3 358.438 3.087 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c([O-])c1 ZINC000368330665 499285905 /nfs/dbraw/zinc/28/59/05/499285905.db2.gz HDUBNTNKPBSMHY-HNNXBMFYSA-N 0 3 354.450 3.362 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]Cc2cnc3n2CCCC3)c1[O-] ZINC000368486829 499301031 /nfs/dbraw/zinc/30/10/31/499301031.db2.gz DQBDPTAQTCGIGN-UHFFFAOYSA-N 0 3 350.260 3.286 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CCN(C)[C@H]4C3)ccc21 ZINC000368588870 499310616 /nfs/dbraw/zinc/31/06/16/499310616.db2.gz HHEDLBSXZNVHCQ-UWJYYQICSA-N 0 3 369.509 3.071 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000368794218 499333299 /nfs/dbraw/zinc/33/32/99/499333299.db2.gz AIHFLPZBYZGMCH-AWEZNQCLSA-N 0 3 360.479 3.371 20 10 FGCDHN CN1CCC2(CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000372433603 499434244 /nfs/dbraw/zinc/43/42/44/499434244.db2.gz LUWXGNMPOMKGBW-UHFFFAOYSA-N 0 3 356.514 3.057 20 10 FGCDHN COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000373120786 499452446 /nfs/dbraw/zinc/45/24/46/499452446.db2.gz HRAOYQFLVDMBIK-IBGZPJMESA-N 0 3 360.498 3.022 20 10 FGCDHN CCC[C@](C)(N)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000378202672 499490166 /nfs/dbraw/zinc/49/01/66/499490166.db2.gz GWZKLIGISJKYQF-KRWDZBQOSA-N 0 3 373.419 3.188 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000375256975 499499926 /nfs/dbraw/zinc/49/99/26/499499926.db2.gz WJWJFTFGDMOMMZ-OAHLLOKOSA-N 0 3 372.440 3.449 20 10 FGCDHN c1cc(N2CCOCC2)ccc1CN1CCC(c2noc(C3CC3)n2)CC1 ZINC000376389836 499605235 /nfs/dbraw/zinc/60/52/35/499605235.db2.gz XTZAQCXOPBMFHC-UHFFFAOYSA-N 0 3 368.481 3.163 20 10 FGCDHN CC[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(C)cc1[O-] ZINC000376572473 499619621 /nfs/dbraw/zinc/61/96/21/499619621.db2.gz SRCHOIVFHJOGGU-QZTJIDSGSA-N 0 3 354.450 3.381 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000377626109 499712159 /nfs/dbraw/zinc/71/21/59/499712159.db2.gz MXJZIRJVTLSVOR-ZOBUZTSGSA-N 0 3 362.449 3.079 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000377626109 499712160 /nfs/dbraw/zinc/71/21/60/499712160.db2.gz MXJZIRJVTLSVOR-ZOBUZTSGSA-N 0 3 362.449 3.079 20 10 FGCDHN CCOc1cccc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000377926067 499748742 /nfs/dbraw/zinc/74/87/42/499748742.db2.gz WBIFHPPHMZONRY-UHFFFAOYSA-N 0 3 355.482 3.282 20 10 FGCDHN CCOc1cccc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000377926067 499748743 /nfs/dbraw/zinc/74/87/43/499748743.db2.gz WBIFHPPHMZONRY-UHFFFAOYSA-N 0 3 355.482 3.282 20 10 FGCDHN CCCCN(C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000488836094 502821723 /nfs/dbraw/zinc/82/17/23/502821723.db2.gz HZYPUWYIRGWVKJ-UHFFFAOYSA-N 0 3 359.514 3.366 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CN4CCC3CC4)ccc21 ZINC000518432174 503982989 /nfs/dbraw/zinc/98/29/89/503982989.db2.gz MJHCSUUSXKECOQ-OAQYLSRUSA-N 0 3 369.509 3.071 20 10 FGCDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(C)cc(OC)c1O ZINC000825318295 607846157 /nfs/dbraw/zinc/84/61/57/607846157.db2.gz KYLKFAVNTVOQNC-UHFFFAOYSA-N 0 3 367.453 3.302 20 10 FGCDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(C)cc(OC)c1O ZINC000825318295 607846158 /nfs/dbraw/zinc/84/61/58/607846158.db2.gz KYLKFAVNTVOQNC-UHFFFAOYSA-N 0 3 367.453 3.302 20 10 FGCDHN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(C)cc(OC)c1O ZINC000825318295 607846159 /nfs/dbraw/zinc/84/61/59/607846159.db2.gz KYLKFAVNTVOQNC-UHFFFAOYSA-N 0 3 367.453 3.302 20 10 FGCDHN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(C)cc(OC)c1O ZINC000825318295 607846160 /nfs/dbraw/zinc/84/61/60/607846160.db2.gz KYLKFAVNTVOQNC-UHFFFAOYSA-N 0 3 367.453 3.302 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824619677 609138388 /nfs/dbraw/zinc/13/83/88/609138388.db2.gz YSJBRZDZHBFIGH-LLVKDONJSA-N 0 3 358.396 3.062 20 10 FGCDHN C[C@H](NCCOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000121039879 700664450 /nfs/dbraw/zinc/66/44/50/700664450.db2.gz BCRNXQPBFBGEDT-RDJZCZTQSA-N 0 3 368.905 3.023 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000126926476 700754555 /nfs/dbraw/zinc/75/45/55/700754555.db2.gz XWWZEORHZLLGLS-INIZCTEOSA-N 0 3 359.495 3.432 20 10 FGCDHN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000178201359 705658524 /nfs/dbraw/zinc/65/85/24/705658524.db2.gz LPEAVANJJKHYGG-LLVKDONJSA-N 0 3 351.372 3.459 20 10 FGCDHN CCOCc1cc(CNC(C)(C)C(=O)NCC(C)(C)C)ccc1OC ZINC000178831331 705677719 /nfs/dbraw/zinc/67/77/19/705677719.db2.gz KYSRTCFEDDAJIF-UHFFFAOYSA-N 0 3 350.503 3.262 20 10 FGCDHN Cc1ccc(O)c(CN2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000180037630 705725862 /nfs/dbraw/zinc/72/58/62/705725862.db2.gz SJHLSEGKVJRBRO-UHFFFAOYSA-N 0 3 362.271 3.180 20 10 FGCDHN CN1C(=O)C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000779100754 724390030 /nfs/dbraw/zinc/39/00/30/724390030.db2.gz SDBNPMSLMFVRIZ-YJBOKZPZSA-N 0 3 366.795 3.385 20 10 FGCDHN O=C(CNCc1cc2c(cc1O)OCO2)Nc1cc(Cl)ccc1Cl ZINC000732228963 722482812 /nfs/dbraw/zinc/48/28/12/722482812.db2.gz ZGQXSAIMMPHJPP-UHFFFAOYSA-N 0 3 369.204 3.156 20 10 FGCDHN O=[N+]([O-])c1cc(CNC[C@H](O)c2ccsc2)ccc1N1CCCCC1 ZINC000740011850 722534709 /nfs/dbraw/zinc/53/47/09/722534709.db2.gz UKTVDCGVYLILKF-SFHVURJKSA-N 0 3 361.467 3.470 20 10 FGCDHN CC(=O)NC1CCC([N@H+](C)Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000753592187 722905796 /nfs/dbraw/zinc/90/57/96/722905796.db2.gz RUPYOWGVURPIEC-UHFFFAOYSA-N 0 3 369.303 3.342 20 10 FGCDHN CC(=O)NC1CCC([N@@H+](C)Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000753592187 722905797 /nfs/dbraw/zinc/90/57/97/722905797.db2.gz RUPYOWGVURPIEC-UHFFFAOYSA-N 0 3 369.303 3.342 20 10 FGCDHN CCN(Cc1ccccc1)c1ccc(CNC[C@@H](C)S(C)(=O)=O)cc1 ZINC000754085424 722926797 /nfs/dbraw/zinc/92/67/97/722926797.db2.gz LMNMOZPSUBQLFX-QGZVFWFLSA-N 0 3 360.523 3.236 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756434714 722964530 /nfs/dbraw/zinc/96/45/30/722964530.db2.gz OXBNQXMZAGHLIJ-BLLLJJGKSA-N 0 3 363.454 3.414 20 10 FGCDHN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000766136278 723558115 /nfs/dbraw/zinc/55/81/15/723558115.db2.gz CSMZQMARHJHABK-KDOFPFPSSA-N 0 3 364.873 3.462 20 10 FGCDHN CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc3c(cc1[O-])OC[C@H]3O)CCC2 ZINC000768463776 723658420 /nfs/dbraw/zinc/65/84/20/723658420.db2.gz WWNCPDRSLGZRSK-GOEBONIOSA-N 0 3 360.479 3.346 20 10 FGCDHN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1[O-])OC[C@H]3O)CCC2 ZINC000768463776 723658421 /nfs/dbraw/zinc/65/84/21/723658421.db2.gz WWNCPDRSLGZRSK-GOEBONIOSA-N 0 3 360.479 3.346 20 10 FGCDHN CN(C)c1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1F ZINC000769196818 723679303 /nfs/dbraw/zinc/67/93/03/723679303.db2.gz ZNSOQKGBFROJPZ-OAHLLOKOSA-N 0 3 351.466 3.238 20 10 FGCDHN C[C@@H](NCCC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000772958422 723773173 /nfs/dbraw/zinc/77/31/73/723773173.db2.gz KEJKCGLOFMQCMD-CQSZACIVSA-N 0 3 367.921 3.132 20 10 FGCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCc2sccc2C1 ZINC000774486622 723899304 /nfs/dbraw/zinc/89/93/04/723899304.db2.gz WNRQDOGCSOBLSH-GJZGRUSLSA-N 0 3 357.523 3.438 20 10 FGCDHN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000775175030 723968469 /nfs/dbraw/zinc/96/84/69/723968469.db2.gz FKTHCSFSMYVVQH-INIZCTEOSA-N 0 3 358.276 3.290 20 10 FGCDHN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000775175030 723968471 /nfs/dbraw/zinc/96/84/71/723968471.db2.gz FKTHCSFSMYVVQH-INIZCTEOSA-N 0 3 358.276 3.290 20 10 FGCDHN CCOC(CC[NH2+]Cc1cc(Br)cc(OC)c1[O-])OCC ZINC000786835269 725002956 /nfs/dbraw/zinc/00/29/56/725002956.db2.gz OJFFWHYDGSSLHP-UHFFFAOYSA-N 0 3 362.264 3.042 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000808718748 725214767 /nfs/dbraw/zinc/21/47/67/725214767.db2.gz QVQUGBSMPMNXLB-RISCZKNCSA-N 0 3 366.811 3.268 20 10 FGCDHN CCOc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000809772355 725267721 /nfs/dbraw/zinc/26/77/21/725267721.db2.gz UHODSPJYSNZVSP-ZFWWWQNUSA-N 0 3 350.459 3.278 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1[O-] ZINC000814171038 726944414 /nfs/dbraw/zinc/94/44/14/726944414.db2.gz IPTDTSWHVPFPHZ-INIZCTEOSA-N 0 3 372.303 3.440 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000816624873 727182023 /nfs/dbraw/zinc/18/20/23/727182023.db2.gz JYGYKIKTEHUONZ-KRWDZBQOSA-N 0 3 364.283 3.499 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000816624873 727182025 /nfs/dbraw/zinc/18/20/25/727182025.db2.gz JYGYKIKTEHUONZ-KRWDZBQOSA-N 0 3 364.283 3.499 20 10 FGCDHN COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CCCC1 ZINC000825244915 729375629 /nfs/dbraw/zinc/37/56/29/729375629.db2.gz BNUJHPPRBYZOTM-UHFFFAOYSA-N 0 3 358.276 3.460 20 10 FGCDHN CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H](O)C(F)F ZINC000834875854 729840906 /nfs/dbraw/zinc/84/09/06/729840906.db2.gz UUHKJKRDWFGRCY-XFBWCDHKSA-N 0 3 362.848 3.232 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C3CC3)CC2)c1[O-] ZINC000848522968 731174843 /nfs/dbraw/zinc/17/48/43/731174843.db2.gz ZUKSQCJDGAAJCC-NSHDSACASA-N 0 3 369.303 3.441 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1[O-] ZINC000848532257 731176344 /nfs/dbraw/zinc/17/63/44/731176344.db2.gz BJMPDIOBSUBKDS-MNOVXSKESA-N 0 3 354.248 3.099 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)c1[O-] ZINC000848548371 731179483 /nfs/dbraw/zinc/17/94/83/731179483.db2.gz WHNBPCJDLWZUOY-MISXGVKJSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCOC(F)F)c1[O-] ZINC000848549256 731179734 /nfs/dbraw/zinc/17/97/34/731179734.db2.gz PZHYNOLNAJBREM-MRVPVSSYSA-N 0 3 354.191 3.443 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848575580 731184619 /nfs/dbraw/zinc/18/46/19/731184619.db2.gz SPTAWTUQMLXJMC-GJZGRUSLSA-N 0 3 369.303 3.270 20 10 FGCDHN COc1cc(Br)cc(CNCc2c(C3CC3)cnn2C)c1O ZINC000850379608 731350189 /nfs/dbraw/zinc/35/01/89/731350189.db2.gz CPVOHWYRUXCRJR-UHFFFAOYSA-N 0 3 366.259 3.064 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000850404841 731353102 /nfs/dbraw/zinc/35/31/02/731353102.db2.gz SOKPKJAYTVZKAZ-OAHLLOKOSA-N 0 3 352.475 3.430 20 10 FGCDHN CNC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000854233056 731806839 /nfs/dbraw/zinc/80/68/39/731806839.db2.gz WBDGEFUVDXQPSK-HTQZYQBOSA-N 0 3 366.097 3.176 20 10 FGCDHN COc1ccc(CN[C@@H](CO)c2sccc2C)cc1Cn1cccn1 ZINC000873069330 735717104 /nfs/dbraw/zinc/71/71/04/735717104.db2.gz CJSUOXWAWGBIPQ-KRWDZBQOSA-N 0 3 357.479 3.133 20 10 FGCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(Br)no1 ZINC000878565886 736888814 /nfs/dbraw/zinc/88/88/14/736888814.db2.gz VHVSDDYSBSJYTR-CQSZACIVSA-N 0 3 369.259 3.478 20 10 FGCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1cc(Br)no1 ZINC000878565886 736888818 /nfs/dbraw/zinc/88/88/18/736888818.db2.gz VHVSDDYSBSJYTR-CQSZACIVSA-N 0 3 369.259 3.478 20 10 FGCDHN C[C@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000883373622 737559648 /nfs/dbraw/zinc/55/96/48/737559648.db2.gz WIIIQPVBYLZJFB-BPUTZDHNSA-N 0 3 354.491 3.042 20 10 FGCDHN CN1CCN(c2ccc(CNCc3nsc4ccccc43)cc2)CC1 ZINC000883410170 737564160 /nfs/dbraw/zinc/56/41/60/737564160.db2.gz PYSGHBXAZMQAQW-UHFFFAOYSA-N 0 3 352.507 3.338 20 10 FGCDHN CC[C@H](CC(F)(F)F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248347 739886081 /nfs/dbraw/zinc/88/60/81/739886081.db2.gz LQTIWKLDVCLQQW-CJNGLKHVSA-N 0 3 359.436 3.450 20 10 FGCDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2cc(C)cc(OC)c2O)cc1 ZINC000894695144 742319146 /nfs/dbraw/zinc/31/91/46/742319146.db2.gz GQSUPTMLNJFQLJ-CQSZACIVSA-N 0 3 363.479 3.354 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC3(CC2)C[C@@H](O)CCO3)cc1F ZINC000897260770 742660356 /nfs/dbraw/zinc/66/03/56/742660356.db2.gz MXLNWODGXRIKDS-KRWDZBQOSA-N 0 3 350.478 3.178 20 10 FGCDHN C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1cc(F)ccc1[O-] ZINC000903426570 743849491 /nfs/dbraw/zinc/84/94/91/743849491.db2.gz ZSPWFCBWGIDPPG-GFCCVEGCSA-N 0 3 364.442 3.286 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000779022178 724381357 /nfs/dbraw/zinc/38/13/57/724381357.db2.gz NTPRKADMJSCADK-ZDUSSCGKSA-N 0 3 371.319 3.225 20 10 FGCDHN COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000779022749 724381882 /nfs/dbraw/zinc/38/18/82/724381882.db2.gz YRPJEIFQSLWTMD-WCQYABFASA-N 0 3 371.275 3.345 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1[O-] ZINC000779029452 724382533 /nfs/dbraw/zinc/38/25/33/724382533.db2.gz IEBRJFUJWNFMGF-LLVKDONJSA-N 0 3 357.292 3.419 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1[O-] ZINC000779035815 724383403 /nfs/dbraw/zinc/38/34/03/724383403.db2.gz IZLVXDZZKLNGHT-VDYMJLGFSA-N 0 3 367.287 3.123 20 10 FGCDHN COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000091918784 494720529 /nfs/dbraw/zinc/72/05/29/494720529.db2.gz UPEIDMOUJZOQIG-UHFFFAOYSA-N 0 3 370.449 3.260 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)c1ccc(F)cc1[O-] ZINC000185372175 495552765 /nfs/dbraw/zinc/55/27/65/495552765.db2.gz GAJAMBZBXBBFAK-OAHLLOKOSA-N 0 3 358.457 3.339 20 10 FGCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000179646646 495676647 /nfs/dbraw/zinc/67/66/47/495676647.db2.gz GXARXJSVRAFLEN-PXNSSMCTSA-N 0 3 351.450 3.213 20 10 FGCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)Cn1cccn1 ZINC000179646646 495676652 /nfs/dbraw/zinc/67/66/52/495676652.db2.gz GXARXJSVRAFLEN-PXNSSMCTSA-N 0 3 351.450 3.213 20 10 FGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000151069944 495729548 /nfs/dbraw/zinc/72/95/48/495729548.db2.gz IESVCWODUWWQGF-LMKMVOKYSA-N 0 3 358.507 3.111 20 10 FGCDHN COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000186049964 495836832 /nfs/dbraw/zinc/83/68/32/495836832.db2.gz WKOSKWGIGWZZDO-KXBFYZLASA-N 0 3 354.450 3.161 20 10 FGCDHN COc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)cc1 ZINC000183380001 495955550 /nfs/dbraw/zinc/95/55/50/495955550.db2.gz ZMKJVXPPYRDNQK-JXFKEZNVSA-N 0 3 356.466 3.125 20 10 FGCDHN O=C(Nc1ccc(F)cc1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000152345843 496122932 /nfs/dbraw/zinc/12/29/32/496122932.db2.gz ZEWVTYKTWLGCRZ-UHFFFAOYSA-N 0 3 372.396 3.111 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(CN3CCCCC3=O)CC2)c1O ZINC000184696217 496496984 /nfs/dbraw/zinc/49/69/84/496496984.db2.gz ZUIPCBNIFUVTAT-UHFFFAOYSA-N 0 3 366.889 3.279 20 10 FGCDHN C[C@H](NC[C@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157716708 496536932 /nfs/dbraw/zinc/53/69/32/496536932.db2.gz KTNDNJPNRSOSDB-XOBRGWDASA-N 0 3 362.420 3.186 20 10 FGCDHN COc1ccc(O)c([C@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185049039 496636422 /nfs/dbraw/zinc/63/64/22/496636422.db2.gz AFVLCIFCORSCSK-HNAYVOBHSA-N 0 3 354.450 3.415 20 10 FGCDHN CC[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000268824758 496796430 /nfs/dbraw/zinc/79/64/30/496796430.db2.gz MZHKXWCFYURHNV-IBGZPJMESA-N 0 3 361.511 3.365 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c([O-])c1C ZINC000273530962 496831732 /nfs/dbraw/zinc/83/17/32/496831732.db2.gz WJOJMIWVAZHXHM-INIZCTEOSA-N 0 3 368.543 3.110 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCCCC[NH3+] ZINC000236915869 497168122 /nfs/dbraw/zinc/16/81/22/497168122.db2.gz FYAVECFNUJNLTK-UHFFFAOYSA-N 0 3 357.292 3.412 20 10 FGCDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C ZINC000192910391 497244491 /nfs/dbraw/zinc/24/44/91/497244491.db2.gz YFRMZHVWCCSUFA-UONOGXRCSA-N 0 3 350.413 3.341 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000275753334 497422383 /nfs/dbraw/zinc/42/23/83/497422383.db2.gz DPCNBPMPSUFLAS-HNNXBMFYSA-N 0 3 350.459 3.280 20 10 FGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000271984657 497503691 /nfs/dbraw/zinc/50/36/91/497503691.db2.gz KLBYQPOKCQFSTQ-LJQANCHMSA-N 0 3 355.434 3.071 20 10 FGCDHN CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(C)cc1[O-] ZINC000279970039 497605416 /nfs/dbraw/zinc/60/54/16/497605416.db2.gz CWSBJKFDEKHKHQ-KRWDZBQOSA-N 0 3 368.543 3.334 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411779 497943566 /nfs/dbraw/zinc/94/35/66/497943566.db2.gz CDBISTPQCSWAND-CABCVRRESA-N 0 3 355.438 3.208 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411779 497943571 /nfs/dbraw/zinc/94/35/71/497943571.db2.gz CDBISTPQCSWAND-CABCVRRESA-N 0 3 355.438 3.208 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411781 497943686 /nfs/dbraw/zinc/94/36/86/497943686.db2.gz CDBISTPQCSWAND-HUUCEWRRSA-N 0 3 355.438 3.208 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411781 497943692 /nfs/dbraw/zinc/94/36/92/497943692.db2.gz CDBISTPQCSWAND-HUUCEWRRSA-N 0 3 355.438 3.208 20 10 FGCDHN COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1[O-] ZINC000365167138 498331397 /nfs/dbraw/zinc/33/13/97/498331397.db2.gz ABISNBMQTBDUKL-IIBYNOLFSA-N 0 3 369.465 3.290 20 10 FGCDHN COc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1[O-] ZINC000365167138 498331404 /nfs/dbraw/zinc/33/14/04/498331404.db2.gz ABISNBMQTBDUKL-IIBYNOLFSA-N 0 3 369.465 3.290 20 10 FGCDHN COc1cc([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)cc1OC ZINC000301942439 498338938 /nfs/dbraw/zinc/33/89/38/498338938.db2.gz VNLIFRBUJIIHJR-UHFFFAOYSA-N 0 3 371.437 3.324 20 10 FGCDHN COc1cc(Br)cc(CN2CCC23CCC(CO)CC3)c1O ZINC000361984265 498448136 /nfs/dbraw/zinc/44/81/36/498448136.db2.gz AMDFCLDWEDAXRR-UHFFFAOYSA-N 0 3 370.287 3.290 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293852548 498511826 /nfs/dbraw/zinc/51/18/26/498511826.db2.gz UGSPGJKPELJZDN-CYBMUJFWSA-N 0 3 374.416 3.004 20 10 FGCDHN C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])N1CCN(C)CC1 ZINC000293887369 498523275 /nfs/dbraw/zinc/52/32/75/498523275.db2.gz VTQDSUBLZDRMSD-DENIHFKCSA-N 0 3 367.537 3.292 20 10 FGCDHN CS(=O)(=O)CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000294832183 498820448 /nfs/dbraw/zinc/82/04/48/498820448.db2.gz REGHGLHTBDBBIQ-IBGZPJMESA-N 0 3 373.518 3.481 20 10 FGCDHN COc1ccc([C@@H](O)C2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000291155830 498821046 /nfs/dbraw/zinc/82/10/46/498821046.db2.gz BSSWRSJDGFPITD-OAQYLSRUSA-N 0 3 371.433 3.075 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000287706454 498841966 /nfs/dbraw/zinc/84/19/66/498841966.db2.gz XIMVFTJXOXAUJB-GFCCVEGCSA-N 0 3 358.276 3.045 20 10 FGCDHN CCC[C@](C)(N)C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366319930 498873332 /nfs/dbraw/zinc/87/33/32/498873332.db2.gz CTYNGYARXPIJEZ-GUYCJALGSA-N 0 3 373.419 3.045 20 10 FGCDHN COc1cc(Br)cc(CN[C@@H]2CCCc3c[nH]nc32)c1O ZINC000363835778 499019287 /nfs/dbraw/zinc/01/92/87/499019287.db2.gz XGGLVXGKKGVEJS-GFCCVEGCSA-N 0 3 352.232 3.054 20 10 FGCDHN COc1ccc(O)c([C@@H](C)Nc2ccc(OC3CCN(C)CC3)nc2)c1 ZINC000363862016 499029281 /nfs/dbraw/zinc/02/92/81/499029281.db2.gz YAVBAOUCJPDJRH-CQSZACIVSA-N 0 3 357.454 3.442 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1[O-] ZINC000367228774 499165295 /nfs/dbraw/zinc/16/52/95/499165295.db2.gz LOVQXMCFWNWJTE-KRWDZBQOSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1[O-] ZINC000367228774 499165298 /nfs/dbraw/zinc/16/52/98/499165298.db2.gz LOVQXMCFWNWJTE-KRWDZBQOSA-N 0 3 369.465 3.345 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000367319826 499180265 /nfs/dbraw/zinc/18/02/65/499180265.db2.gz XZADNSLAGNIRPR-DOTOQJQBSA-N 0 3 374.485 3.142 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000367319826 499180267 /nfs/dbraw/zinc/18/02/67/499180267.db2.gz XZADNSLAGNIRPR-DOTOQJQBSA-N 0 3 374.485 3.142 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344275 499184896 /nfs/dbraw/zinc/18/48/96/499184896.db2.gz VWRFGAOOPBBYGX-OAHLLOKOSA-N 0 3 358.438 3.026 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344275 499184898 /nfs/dbraw/zinc/18/48/98/499184898.db2.gz VWRFGAOOPBBYGX-OAHLLOKOSA-N 0 3 358.438 3.026 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344275 499184899 /nfs/dbraw/zinc/18/48/99/499184899.db2.gz VWRFGAOOPBBYGX-OAHLLOKOSA-N 0 3 358.438 3.026 20 10 FGCDHN COc1cccc(C[NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000368047907 499259209 /nfs/dbraw/zinc/25/92/09/499259209.db2.gz VPMNTOKOFGLNRB-INIZCTEOSA-N 0 3 362.470 3.280 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2ccccc2c1[O-] ZINC000368325405 499285409 /nfs/dbraw/zinc/28/54/09/499285409.db2.gz ADVZACAYDHLHRP-SJLPKXTDSA-N 0 3 353.510 3.365 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000368811409 499335117 /nfs/dbraw/zinc/33/51/17/499335117.db2.gz VWZJHMCVJKDZBN-MRXNPFEDSA-N 0 3 354.450 3.310 20 10 FGCDHN CCCOc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c([O-])c1 ZINC000369443888 499403907 /nfs/dbraw/zinc/40/39/07/499403907.db2.gz RSLJLVDRIQTRGP-UHFFFAOYSA-N 0 3 356.470 3.098 20 10 FGCDHN COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1[O-] ZINC000372303118 499418579 /nfs/dbraw/zinc/41/85/79/499418579.db2.gz WDRWTSWHCFWJQM-ZDUSSCGKSA-N 0 3 360.841 3.197 20 10 FGCDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000373183325 499455984 /nfs/dbraw/zinc/45/59/84/499455984.db2.gz PNTDEGBZWQZODO-FSNWXROXSA-N 0 3 353.378 3.053 20 10 FGCDHN Cc1ccc(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)c([O-])c1O ZINC000378561348 499532044 /nfs/dbraw/zinc/53/20/44/499532044.db2.gz HWLDGMFEUPCECB-UHFFFAOYSA-N 0 3 352.434 3.205 20 10 FGCDHN CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000377652058 499715681 /nfs/dbraw/zinc/71/56/81/499715681.db2.gz VTXXWUUNTYQSQW-UHFFFAOYSA-N 0 3 368.477 3.494 20 10 FGCDHN COC[C@@]1(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])OCCc2ccccc21 ZINC000377936360 499749430 /nfs/dbraw/zinc/74/94/30/499749430.db2.gz DVBSYEMYQQQQTH-YCRPNKLZSA-N 0 3 357.450 3.166 20 10 FGCDHN C[C@H]([NH2+]C1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc(N(C)C)cc1 ZINC000378164000 499761609 /nfs/dbraw/zinc/76/16/09/499761609.db2.gz ITZQRLPPAZPUTG-INIZCTEOSA-N 0 3 367.493 3.414 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458728927 501517155 /nfs/dbraw/zinc/51/71/55/501517155.db2.gz FMAVUPVEEUACHZ-NRFANRHFSA-N 0 3 354.498 3.114 20 10 FGCDHN CCN1CCC(N(C)C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490431969 503172816 /nfs/dbraw/zinc/17/28/16/503172816.db2.gz LFZDUFSEOHLYQJ-UHFFFAOYSA-N 0 3 371.525 3.461 20 10 FGCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735873189 598715726 /nfs/dbraw/zinc/71/57/26/598715726.db2.gz BGLOTLDYVMKLDN-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735873189 598715729 /nfs/dbraw/zinc/71/57/29/598715729.db2.gz BGLOTLDYVMKLDN-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735873189 598715730 /nfs/dbraw/zinc/71/57/30/598715730.db2.gz BGLOTLDYVMKLDN-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735873189 598715732 /nfs/dbraw/zinc/71/57/32/598715732.db2.gz BGLOTLDYVMKLDN-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN C[C@H](NC[C@@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000125147678 700731133 /nfs/dbraw/zinc/73/11/33/700731133.db2.gz MXCLPVXJFAGWMM-SUMWQHHRSA-N 0 3 350.846 3.154 20 10 FGCDHN COC[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172922717 705436332 /nfs/dbraw/zinc/43/63/32/705436332.db2.gz NVGNIGVTSJKZFN-AWEZNQCLSA-N 0 3 366.255 3.155 20 10 FGCDHN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000237675662 713595911 /nfs/dbraw/zinc/59/59/11/713595911.db2.gz COMRVAQXHVJMAQ-HIFRSBDPSA-N 0 3 350.459 3.242 20 10 FGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000246326962 713622016 /nfs/dbraw/zinc/62/20/16/713622016.db2.gz FTJRUEREJWOYPP-BBRMVZONSA-N 0 3 357.420 3.347 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000380975866 713977569 /nfs/dbraw/zinc/97/75/69/713977569.db2.gz BDORCTHDTZSGCV-ZBFHGGJFSA-N 0 3 350.459 3.069 20 10 FGCDHN O=C1[C@@H]([N@H+](Cc2ccccc2[O-])C2CCCC2)CCN1CC(F)(F)F ZINC000732204544 722482359 /nfs/dbraw/zinc/48/23/59/722482359.db2.gz MNDSVDYZCGWKJB-HNNXBMFYSA-N 0 3 356.388 3.300 20 10 FGCDHN O=C1[C@@H]([N@@H+](Cc2ccccc2[O-])C2CCCC2)CCN1CC(F)(F)F ZINC000732204544 722482360 /nfs/dbraw/zinc/48/23/60/722482360.db2.gz MNDSVDYZCGWKJB-HNNXBMFYSA-N 0 3 356.388 3.300 20 10 FGCDHN CCC1(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOCC1 ZINC000744450127 722577194 /nfs/dbraw/zinc/57/71/94/722577194.db2.gz MWMMYRJBBPEXNJ-UHFFFAOYSA-N 0 3 358.276 3.460 20 10 FGCDHN Oc1ccccc1CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000748158307 722677173 /nfs/dbraw/zinc/67/71/73/722677173.db2.gz PXHOAMCRAVFPMR-UHFFFAOYSA-N 0 3 355.507 3.021 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756434725 722964548 /nfs/dbraw/zinc/96/45/48/722964548.db2.gz OXBNQXMZAGHLIJ-WBMJQRKESA-N 0 3 363.454 3.414 20 10 FGCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1[O-] ZINC000756601791 722967533 /nfs/dbraw/zinc/96/75/33/722967533.db2.gz BADPGFIOTVPZFW-QRWLVFNGSA-N 0 3 360.885 3.333 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1[O-] ZINC000757906983 722981071 /nfs/dbraw/zinc/98/10/71/722981071.db2.gz NOJICHQBBDTIJY-AWEZNQCLSA-N 0 3 367.276 3.441 20 10 FGCDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1 ZINC000759387139 723003786 /nfs/dbraw/zinc/00/37/86/723003786.db2.gz OBBAOCGRIJOQHA-TUPIDYKKSA-N 0 3 357.841 3.104 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000789763942 723071795 /nfs/dbraw/zinc/07/17/95/723071795.db2.gz AWSIYSCWCWBNRF-OKILXGFUSA-N 0 3 371.319 3.004 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000789763942 723071800 /nfs/dbraw/zinc/07/18/00/723071800.db2.gz AWSIYSCWCWBNRF-OKILXGFUSA-N 0 3 371.319 3.004 20 10 FGCDHN CCOCc1cc(CNCc2ccc(C[S@@](C)=O)cc2)ccc1OC ZINC000796526408 723641547 /nfs/dbraw/zinc/64/15/47/723641547.db2.gz MULHRRMGXXLIKK-RUZDIDTESA-N 0 3 361.507 3.400 20 10 FGCDHN C[C@@H]1SCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768445197 723657722 /nfs/dbraw/zinc/65/77/22/723657722.db2.gz GKWFBARQYRDRLQ-CYFNAFFESA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768445197 723657724 /nfs/dbraw/zinc/65/77/24/723657724.db2.gz GKWFBARQYRDRLQ-CYFNAFFESA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]1SCCN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768445197 723657725 /nfs/dbraw/zinc/65/77/25/723657725.db2.gz GKWFBARQYRDRLQ-CYFNAFFESA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000774398625 723888818 /nfs/dbraw/zinc/88/88/18/723888818.db2.gz YMPRCRNRMUDWNC-ZYHUDNBSSA-N 0 3 357.347 3.450 20 10 FGCDHN CCOc1ccc(CNCc2ccncc2OCC(F)(F)F)c(O)c1 ZINC000798504391 723938746 /nfs/dbraw/zinc/93/87/46/723938746.db2.gz GGWUNTWUAWNAIU-UHFFFAOYSA-N 0 3 356.344 3.417 20 10 FGCDHN CS(=O)(=O)[C@H]1CCCCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775192609 723970167 /nfs/dbraw/zinc/97/01/67/723970167.db2.gz NLLOAUYPPKGMFZ-IBGZPJMESA-N 0 3 359.491 3.458 20 10 FGCDHN C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1[O-] ZINC000798935005 723977058 /nfs/dbraw/zinc/97/70/58/723977058.db2.gz JAHIRKMDJUFAQO-CYBMUJFWSA-N 0 3 368.886 3.065 20 10 FGCDHN CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OCC)cc2[O-])CC1 ZINC000778197235 724309919 /nfs/dbraw/zinc/30/99/19/724309919.db2.gz COEQBEJSCWARFV-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1[O-] ZINC000809665131 725257498 /nfs/dbraw/zinc/25/74/98/725257498.db2.gz PJSFBYXFUXPYFF-LLVKDONJSA-N 0 3 358.276 3.146 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1[O-] ZINC000809665131 725257499 /nfs/dbraw/zinc/25/74/99/725257499.db2.gz PJSFBYXFUXPYFF-LLVKDONJSA-N 0 3 358.276 3.146 20 10 FGCDHN CC[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216933 725297606 /nfs/dbraw/zinc/29/76/06/725297606.db2.gz STPVGMCCNYEDKE-XJKSGUPXSA-N 0 3 359.436 3.088 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1[O-] ZINC000814171039 726944272 /nfs/dbraw/zinc/94/42/72/726944272.db2.gz IPTDTSWHVPFPHZ-MRXNPFEDSA-N 0 3 372.303 3.440 20 10 FGCDHN CC(=O)N[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000817365720 727244278 /nfs/dbraw/zinc/24/42/78/727244278.db2.gz NNFZOVNHMNYRKG-CQSZACIVSA-N 0 3 363.255 3.018 20 10 FGCDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000817365720 727244281 /nfs/dbraw/zinc/24/42/81/727244281.db2.gz NNFZOVNHMNYRKG-CQSZACIVSA-N 0 3 363.255 3.018 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1[O-] ZINC000826911374 729418735 /nfs/dbraw/zinc/41/87/35/729418735.db2.gz YKKMTKJSAXYTOC-JZKQVHKSSA-N 0 3 360.317 3.242 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1[O-] ZINC000827837174 729435709 /nfs/dbraw/zinc/43/57/09/729435709.db2.gz AYUFKDCFELRGTM-CYBMUJFWSA-N 0 3 361.747 3.295 20 10 FGCDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834808261 729835940 /nfs/dbraw/zinc/83/59/40/729835940.db2.gz YRDBJVSMUVMDJV-SOUVJXGZSA-N 0 3 350.434 3.317 20 10 FGCDHN Cc1cnc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000834909384 729845442 /nfs/dbraw/zinc/84/54/42/729845442.db2.gz RADCZBGKNFQBQO-GFCCVEGCSA-N 0 3 350.260 3.455 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000834915112 729846006 /nfs/dbraw/zinc/84/60/06/729846006.db2.gz PWBCHZZMOSFFTR-WHOFXGATSA-N 0 3 367.287 3.267 20 10 FGCDHN O=S(=O)(CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-])C1CC1 ZINC000840881674 730187527 /nfs/dbraw/zinc/18/75/27/730187527.db2.gz FBYFJMLOVZCLCR-LJQANCHMSA-N 0 3 359.491 3.233 20 10 FGCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(C)c2[O-])[C@@H]1SC ZINC000843430061 730620267 /nfs/dbraw/zinc/62/02/67/730620267.db2.gz NJMGXUSQKILIGE-NFAWXSAZSA-N 0 3 360.317 3.462 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CCCC2)c1[O-] ZINC000848545231 731178955 /nfs/dbraw/zinc/17/89/55/731178955.db2.gz CBSXOJWZXASXGE-NSHDSACASA-N 0 3 358.276 3.367 20 10 FGCDHN COc1cccc(NC(=[NH2+])NCc2cc(Br)ccc2[O-])c1 ZINC000849052426 731224683 /nfs/dbraw/zinc/22/46/83/731224683.db2.gz WBWIHWTXIQMQIP-UHFFFAOYSA-N 0 3 350.216 3.300 20 10 FGCDHN COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)s1 ZINC000852773832 731633767 /nfs/dbraw/zinc/63/37/67/731633767.db2.gz GWFHTCXMLMLKIK-HNNXBMFYSA-N 0 3 359.495 3.375 20 10 FGCDHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858546265 732226090 /nfs/dbraw/zinc/22/60/90/732226090.db2.gz QSINWPRIYUSZHR-ZBQZNYHESA-N 0 3 350.890 3.395 20 10 FGCDHN C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000866535773 733362658 /nfs/dbraw/zinc/36/26/58/733362658.db2.gz HSNBKVFXWFSJAQ-CHWSQXEVSA-N 0 3 351.443 3.389 20 10 FGCDHN O=c1c(CNCc2ccc(N3CCSCC3)cc2)cccn1C(F)F ZINC000876942782 736165937 /nfs/dbraw/zinc/16/59/37/736165937.db2.gz FJGSBTDFFIRKIK-UHFFFAOYSA-N 0 3 365.449 3.086 20 10 FGCDHN COc1cc(C)cc(CN[C@H](CO)c2cccc(Br)c2)c1O ZINC000894330800 742268927 /nfs/dbraw/zinc/26/89/27/742268927.db2.gz VALWJENDXWDKDN-OAHLLOKOSA-N 0 3 366.255 3.295 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000897539182 742686876 /nfs/dbraw/zinc/68/68/76/742686876.db2.gz QYSBXHPEMKMKRD-FZMZJTMJSA-N 0 3 358.276 3.194 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000903172979 743816564 /nfs/dbraw/zinc/81/65/64/743816564.db2.gz HTRMVPRZOBMUFW-GOSISDBHSA-N 0 3 362.495 3.025 20 10 FGCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779040837 724383544 /nfs/dbraw/zinc/38/35/44/724383544.db2.gz MAIBTZQGIFLHPO-MPKXVKKWSA-N 0 3 355.276 3.028 20 10 FGCDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779049478 724384286 /nfs/dbraw/zinc/38/42/86/724384286.db2.gz HRNPSCXFKQXGFN-KCPJHIHWSA-N 0 3 358.276 3.308 20 10 FGCDHN CN1CCC(NC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000048773593 493844756 /nfs/dbraw/zinc/84/47/56/493844756.db2.gz UMTXUVOBNXVCIW-WCWDXBQESA-N 0 3 365.437 3.251 20 10 FGCDHN COc1ccc(N2CCCN(Cc3ccccc3NC(C)=O)CC2)cc1 ZINC000092380832 494610052 /nfs/dbraw/zinc/61/00/52/494610052.db2.gz FCCFCVWTWXRKQB-UHFFFAOYSA-N 0 3 353.466 3.366 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000159141170 495668479 /nfs/dbraw/zinc/66/84/79/495668479.db2.gz LZTAZQCSQHMCNU-SFHVURJKSA-N 0 3 367.541 3.140 20 10 FGCDHN CC[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc(N(C)C)cc1 ZINC000159166751 495674401 /nfs/dbraw/zinc/67/44/01/495674401.db2.gz JNDBWQLDUZNRSA-NRFANRHFSA-N 0 3 367.541 3.140 20 10 FGCDHN Cc1ccc(O)c(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000172112352 496170199 /nfs/dbraw/zinc/17/01/99/496170199.db2.gz QKNVGTAQMOIKCI-UHFFFAOYSA-N 0 3 374.506 3.165 20 10 FGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000172112352 496170201 /nfs/dbraw/zinc/17/02/01/496170201.db2.gz QKNVGTAQMOIKCI-UHFFFAOYSA-N 0 3 374.506 3.165 20 10 FGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000172115782 496172619 /nfs/dbraw/zinc/17/26/19/496172619.db2.gz RZDSXCNEZSIKLB-IRXDYDNUSA-N 0 3 368.477 3.240 20 10 FGCDHN Cc1ccc(O)c(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000172115782 496172621 /nfs/dbraw/zinc/17/26/21/496172621.db2.gz RZDSXCNEZSIKLB-IRXDYDNUSA-N 0 3 368.477 3.240 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185072128 496646841 /nfs/dbraw/zinc/64/68/41/496646841.db2.gz ZBSWHWZFHYDHLJ-AWEZNQCLSA-N 0 3 360.429 3.227 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000185072128 496646847 /nfs/dbraw/zinc/64/68/47/496646847.db2.gz ZBSWHWZFHYDHLJ-AWEZNQCLSA-N 0 3 360.429 3.227 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000185172594 496690442 /nfs/dbraw/zinc/69/04/42/496690442.db2.gz DCLWMARXHJAIBZ-OAHLLOKOSA-N 0 3 354.450 3.356 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c([O-])c1C ZINC000273363582 496783824 /nfs/dbraw/zinc/78/38/24/496783824.db2.gz DJKZPEBFCGISTP-NVXWUHKLSA-N 0 3 355.482 3.480 20 10 FGCDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)c(O)c1C ZINC000273363582 496783829 /nfs/dbraw/zinc/78/38/29/496783829.db2.gz DJKZPEBFCGISTP-NVXWUHKLSA-N 0 3 355.482 3.480 20 10 FGCDHN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])c1 ZINC000273427594 496804358 /nfs/dbraw/zinc/80/43/58/496804358.db2.gz URTJWUHGIJCAFS-INIZCTEOSA-N 0 3 356.466 3.375 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000277978872 496958735 /nfs/dbraw/zinc/95/87/35/496958735.db2.gz TVUFMBSECKQYBK-DZGCQCFKSA-N 0 3 350.459 3.136 20 10 FGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000269509906 496962059 /nfs/dbraw/zinc/96/20/59/496962059.db2.gz OIBAVQKWBSCLGR-UHFFFAOYSA-N 0 3 356.495 3.233 20 10 FGCDHN Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(N3CCNCC3)c(F)c2)s1 ZINC000237665872 497272750 /nfs/dbraw/zinc/27/27/50/497272750.db2.gz LRFMFAWLDZHEDM-HOTGVXAUSA-N 0 3 373.497 3.025 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000271718455 497427741 /nfs/dbraw/zinc/42/77/41/497427741.db2.gz IZRSKYAMOKARSO-UHFFFAOYSA-N 0 3 358.413 3.391 20 10 FGCDHN CN1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC000245639728 497484689 /nfs/dbraw/zinc/48/46/89/497484689.db2.gz AOYXSHIQNKHFIF-VMGNRKAOSA-N 0 3 372.490 3.372 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1[O-] ZINC000272002625 497508696 /nfs/dbraw/zinc/50/86/96/497508696.db2.gz WJGZRFMSVAYWNO-UHFFFAOYSA-N 0 3 359.857 3.143 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295828918 497822622 /nfs/dbraw/zinc/82/26/22/497822622.db2.gz DUKWEYGJFXXDIP-GOSISDBHSA-N 0 3 374.506 3.200 20 10 FGCDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296550549 498090253 /nfs/dbraw/zinc/09/02/53/498090253.db2.gz OQSGLOORYZGOEB-GOSISDBHSA-N 0 3 360.498 3.077 20 10 FGCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2cccc(C)c2O)CC1 ZINC000292710860 498117669 /nfs/dbraw/zinc/11/76/69/498117669.db2.gz DHEZZAMMOKWJHY-UHFFFAOYSA-N 0 3 359.495 3.170 20 10 FGCDHN COCCCN(Cc1ccncc1)Cc1cc(Cl)cc(OC)c1O ZINC000289448652 498151488 /nfs/dbraw/zinc/15/14/88/498151488.db2.gz MWMLNUMWMSVFAU-UHFFFAOYSA-N 0 3 350.846 3.488 20 10 FGCDHN COC(=O)/C=C/c1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301728121 498240260 /nfs/dbraw/zinc/24/02/60/498240260.db2.gz VYJZQXZJKFVXMD-CSKARUKUSA-N 0 3 373.453 3.236 20 10 FGCDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000360963634 498326792 /nfs/dbraw/zinc/32/67/92/498326792.db2.gz YRFAWWHBXJRVLE-XZOQPEGZSA-N 0 3 365.521 3.231 20 10 FGCDHN CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000361450553 498393361 /nfs/dbraw/zinc/39/33/61/498393361.db2.gz OYMWFVCRDJPVLL-UHFFFAOYSA-N 0 3 354.450 3.185 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000361988247 498448963 /nfs/dbraw/zinc/44/89/63/498448963.db2.gz DGPFOLBHEGLEDW-OAHLLOKOSA-N 0 3 362.271 3.209 20 10 FGCDHN CN(C)c1ccc(CN2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000362380249 498506701 /nfs/dbraw/zinc/50/67/01/498506701.db2.gz MZGWOMZZCWNJLR-UHFFFAOYSA-N 0 3 355.457 3.286 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294911473 498847284 /nfs/dbraw/zinc/84/72/84/498847284.db2.gz XZSOGSZXNPCIOM-GFCCVEGCSA-N 0 3 354.878 3.168 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294911473 498847287 /nfs/dbraw/zinc/84/72/87/498847287.db2.gz XZSOGSZXNPCIOM-GFCCVEGCSA-N 0 3 354.878 3.168 20 10 FGCDHN COC1CCN(c2ccc(CN3CCc4ccccc4[C@H]3CO)cc2)CC1 ZINC000294922330 498850102 /nfs/dbraw/zinc/85/01/02/498850102.db2.gz JZWSKGBHZHSMOD-HSZRJFAPSA-N 0 3 366.505 3.394 20 10 FGCDHN COC1CCN(c2ccc(CN3CCC(C4(C)OCCO4)CC3)cc2)CC1 ZINC000295023635 498883931 /nfs/dbraw/zinc/88/39/31/498883931.db2.gz VDVIBXBYODQMLB-UHFFFAOYSA-N 0 3 374.525 3.277 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000370375423 499214491 /nfs/dbraw/zinc/21/44/91/499214491.db2.gz UVCFWMZGEFGGSQ-CVEARBPZSA-N 0 3 353.466 3.119 20 10 FGCDHN CCN(CC)c1ccc(CNC(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000372436135 499434294 /nfs/dbraw/zinc/43/42/94/499434294.db2.gz QBCISGKARRUGED-UHFFFAOYSA-N 0 3 358.530 3.303 20 10 FGCDHN COc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000373496005 499473147 /nfs/dbraw/zinc/47/31/47/499473147.db2.gz GEXNVRFGERJZBF-UHFFFAOYSA-N 0 3 374.868 3.449 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608684 499479653 /nfs/dbraw/zinc/47/96/53/499479653.db2.gz LKFBIHAXUZEYCX-QWHCGFSZSA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608684 499479654 /nfs/dbraw/zinc/47/96/54/499479654.db2.gz LKFBIHAXUZEYCX-QWHCGFSZSA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608684 499479655 /nfs/dbraw/zinc/47/96/55/499479655.db2.gz LKFBIHAXUZEYCX-QWHCGFSZSA-N 0 3 361.467 3.269 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000375305755 499505237 /nfs/dbraw/zinc/50/52/37/499505237.db2.gz JBRQSMQIXHWERI-HOTGVXAUSA-N 0 3 360.498 3.432 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000378382201 499509880 /nfs/dbraw/zinc/50/98/80/499509880.db2.gz YJGWFNDOCKVKEJ-PKOBYXMFSA-N 0 3 359.470 3.003 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000378382201 499509881 /nfs/dbraw/zinc/50/98/81/499509881.db2.gz YJGWFNDOCKVKEJ-PKOBYXMFSA-N 0 3 359.470 3.003 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000375996078 499574751 /nfs/dbraw/zinc/57/47/51/499574751.db2.gz WYPLQYWWYXWKBL-JOCHJYFZSA-N 0 3 367.493 3.446 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)ccc21 ZINC000607689956 506226551 /nfs/dbraw/zinc/22/65/51/506226551.db2.gz USAIYWOLXFRVDG-KBXCAEBGSA-N 0 3 357.498 3.117 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490406606 503169019 /nfs/dbraw/zinc/16/90/19/503169019.db2.gz HJGKAJOIQAZDPE-RZQQEMMASA-N 0 3 368.525 3.358 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825394397 608282739 /nfs/dbraw/zinc/28/27/39/608282739.db2.gz BWPFVYAHHSHPCN-OAHLLOKOSA-N 0 3 366.469 3.052 20 10 FGCDHN CC(C)(C)c1cc(CN[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000101589775 700469288 /nfs/dbraw/zinc/46/92/88/700469288.db2.gz NFSPLPHCAJKTQP-HNNXBMFYSA-N 0 3 353.528 3.264 20 10 FGCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(CC(F)F)CC3)c2c1 ZINC000159587093 705227877 /nfs/dbraw/zinc/22/78/77/705227877.db2.gz CUXMVXUNHFSZEI-UHFFFAOYSA-N 0 3 350.409 3.327 20 10 FGCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(CC(F)F)CC3)c2c1 ZINC000159587093 705227881 /nfs/dbraw/zinc/22/78/81/705227881.db2.gz CUXMVXUNHFSZEI-UHFFFAOYSA-N 0 3 350.409 3.327 20 10 FGCDHN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000160578299 705256834 /nfs/dbraw/zinc/25/68/34/705256834.db2.gz DMBBIACCWLKVRU-AWEZNQCLSA-N 0 3 357.420 3.396 20 10 FGCDHN COc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000780533623 724477248 /nfs/dbraw/zinc/47/72/48/724477248.db2.gz VCNCWKBWFHMVMO-KRWDZBQOSA-N 0 3 361.873 3.203 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c([O-])c1 ZINC000727836726 722447989 /nfs/dbraw/zinc/44/79/89/722447989.db2.gz DNYAWYHFALKXKH-QGZVFWFLSA-N 0 3 355.356 3.331 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c2c1c(F)ccc2[O-] ZINC000756743838 722969425 /nfs/dbraw/zinc/96/94/25/722969425.db2.gz WWAJZXILGGFXEI-ABAIWWIYSA-N 0 3 361.438 3.199 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1[O-] ZINC000757906985 722981097 /nfs/dbraw/zinc/98/10/97/722981097.db2.gz NOJICHQBBDTIJY-CQSZACIVSA-N 0 3 367.276 3.441 20 10 FGCDHN C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000762649913 723267138 /nfs/dbraw/zinc/26/71/38/723267138.db2.gz OLLRLMWZHYPAKY-ZIAGYGMSSA-N 0 3 371.319 3.306 20 10 FGCDHN CN(C)c1ccc(CN2CCC[C@@H](CCC(N)=O)C2)c(C(F)(F)F)c1 ZINC000792800197 723368841 /nfs/dbraw/zinc/36/88/41/723368841.db2.gz VQTQPUQCCUFHGL-ZDUSSCGKSA-N 0 3 357.420 3.249 20 10 FGCDHN COCCOC[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831412 723372582 /nfs/dbraw/zinc/37/25/82/723372582.db2.gz GMMWJPXNDHWBRT-AWEZNQCLSA-N 0 3 360.420 3.256 20 10 FGCDHN COC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCCC1 ZINC000793232195 723414340 /nfs/dbraw/zinc/41/43/40/723414340.db2.gz UPSDYOFXMXMAIF-UHFFFAOYSA-N 0 3 372.259 3.129 20 10 FGCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794807579 723546953 /nfs/dbraw/zinc/54/69/53/723546953.db2.gz ZMIYVQQQTFGXNY-GOSISDBHSA-N 0 3 362.495 3.028 20 10 FGCDHN CCOCc1cc(CNCc2ccc(C[S@](C)=O)cc2)ccc1OC ZINC000796526410 723641488 /nfs/dbraw/zinc/64/14/88/723641488.db2.gz MULHRRMGXXLIKK-VWLOTQADSA-N 0 3 361.507 3.400 20 10 FGCDHN C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442231 723657690 /nfs/dbraw/zinc/65/76/90/723657690.db2.gz KUUYMGBJOVFPFS-SFHVURJKSA-N 0 3 363.841 3.372 20 10 FGCDHN C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768442231 723657691 /nfs/dbraw/zinc/65/76/91/723657691.db2.gz KUUYMGBJOVFPFS-SFHVURJKSA-N 0 3 363.841 3.372 20 10 FGCDHN CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc3c(cc1[O-])OC[C@@H]3O)CCC2 ZINC000768463783 723658441 /nfs/dbraw/zinc/65/84/41/723658441.db2.gz WWNCPDRSLGZRSK-ZBFHGGJFSA-N 0 3 360.479 3.346 20 10 FGCDHN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1[O-])OC[C@@H]3O)CCC2 ZINC000768463783 723658442 /nfs/dbraw/zinc/65/84/42/723658442.db2.gz WWNCPDRSLGZRSK-ZBFHGGJFSA-N 0 3 360.479 3.346 20 10 FGCDHN C[C@@H](NCC1([S@@](C)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798003988 723897763 /nfs/dbraw/zinc/89/77/63/723897763.db2.gz KARPXJKUFNQVHF-JBEBIEQOSA-N 0 3 370.946 3.128 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000775048885 723956043 /nfs/dbraw/zinc/95/60/43/723956043.db2.gz WJLYWSBSXPVKDR-KBPBESRZSA-N 0 3 350.459 3.278 20 10 FGCDHN CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccccc1[O-] ZINC000775482803 723994723 /nfs/dbraw/zinc/99/47/23/723994723.db2.gz BKJMLIKAWMWMDI-QZTJIDSGSA-N 0 3 359.539 3.483 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000775662493 724019100 /nfs/dbraw/zinc/01/91/00/724019100.db2.gz TXPVKKLQUUQMDP-RLFYNMQTSA-N 0 3 352.906 3.428 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000775662493 724019106 /nfs/dbraw/zinc/01/91/06/724019106.db2.gz TXPVKKLQUUQMDP-RLFYNMQTSA-N 0 3 352.906 3.428 20 10 FGCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776775911 724181893 /nfs/dbraw/zinc/18/18/93/724181893.db2.gz QJXMULBIMFIOLK-AWEZNQCLSA-N 0 3 373.254 3.346 20 10 FGCDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776775911 724181895 /nfs/dbraw/zinc/18/18/95/724181895.db2.gz QJXMULBIMFIOLK-AWEZNQCLSA-N 0 3 373.254 3.346 20 10 FGCDHN COc1cc(C)cc(CN2CCC(Oc3cncc(Cl)n3)CC2)c1O ZINC000777551277 724237551 /nfs/dbraw/zinc/23/75/51/724237551.db2.gz FGMHPPHVOWUMTL-UHFFFAOYSA-N 0 3 363.845 3.196 20 10 FGCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000806138318 725117541 /nfs/dbraw/zinc/11/75/41/725117541.db2.gz UBUNLHDKDXYZHC-CRAIPNDOSA-N 0 3 353.938 3.360 20 10 FGCDHN OC[C@@H](NCc1cc(F)ccc1O)c1ccc(Br)c(F)c1 ZINC000814177940 726945148 /nfs/dbraw/zinc/94/51/48/726945148.db2.gz WBTKCZGZPYECQB-CQSZACIVSA-N 0 3 358.182 3.256 20 10 FGCDHN CC(=O)N[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000817365719 727244225 /nfs/dbraw/zinc/24/42/25/727244225.db2.gz NNFZOVNHMNYRKG-AWEZNQCLSA-N 0 3 363.255 3.018 20 10 FGCDHN CC(=O)N[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000817365719 727244226 /nfs/dbraw/zinc/24/42/26/727244226.db2.gz NNFZOVNHMNYRKG-AWEZNQCLSA-N 0 3 363.255 3.018 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000818218806 727302216 /nfs/dbraw/zinc/30/22/16/727302216.db2.gz QRKQYPBCANUSMD-HZPDHXFCSA-N 0 3 350.459 3.182 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1[O-] ZINC000827943604 729437580 /nfs/dbraw/zinc/43/75/80/729437580.db2.gz XPYGSOANLXKQEY-SFHVURJKSA-N 0 3 362.857 3.443 20 10 FGCDHN COc1cc(Cl)cc(CN[C@@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000827943604 729437581 /nfs/dbraw/zinc/43/75/81/729437581.db2.gz XPYGSOANLXKQEY-SFHVURJKSA-N 0 3 362.857 3.443 20 10 FGCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cc(C)ccc2O)c1 ZINC000840955934 730197013 /nfs/dbraw/zinc/19/70/13/730197013.db2.gz BJCIENZOVNIZJT-UHFFFAOYSA-N 0 3 353.871 3.437 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c1[O-] ZINC000840960490 730197733 /nfs/dbraw/zinc/19/77/33/730197733.db2.gz ICZSWZNWTIILFS-QLJPJBMISA-N 0 3 358.276 3.457 20 10 FGCDHN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000841756163 730270931 /nfs/dbraw/zinc/27/09/31/730270931.db2.gz UMBDVFPJLSISAY-QRWLVFNGSA-N 0 3 360.885 3.333 20 10 FGCDHN COc1cccc([C@H](C)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846162066 730932570 /nfs/dbraw/zinc/93/25/70/730932570.db2.gz ADRWKPDIESAIEG-GJZGRUSLSA-N 0 3 363.479 3.222 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2cnn(C)c2)c1[O-] ZINC000848523961 731175209 /nfs/dbraw/zinc/17/52/09/731175209.db2.gz BQRBZSSYDSMJAM-LLVKDONJSA-N 0 3 368.275 3.180 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)c1[O-] ZINC000848529524 731176035 /nfs/dbraw/zinc/17/60/35/731176035.db2.gz PHDRETZIGXFXOF-GMXVVIOVSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(OC)CCOCC2)c1[O-] ZINC000848535898 731177498 /nfs/dbraw/zinc/17/74/98/731177498.db2.gz LPOQPIFMEIGSSQ-LLVKDONJSA-N 0 3 374.275 3.010 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOC(F)(F)F)c1[O-] ZINC000848548321 731179352 /nfs/dbraw/zinc/17/93/52/731179352.db2.gz ZMMRXNFFTYJKFY-SSDOTTSWSA-N 0 3 358.154 3.350 20 10 FGCDHN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])[C@@H](O)C(F)F ZINC000848552220 731180555 /nfs/dbraw/zinc/18/05/55/731180555.db2.gz AFYZUCYUIRUIRG-LIEFSGRHSA-N 0 3 368.218 3.219 20 10 FGCDHN COc1ccc(N2CC[C@@H](NCc3cnc([C@H]4CCCO4)s3)C2)cc1 ZINC000850347142 731345432 /nfs/dbraw/zinc/34/54/32/731345432.db2.gz OGZLSWNVCSBTST-RDTXWAMCSA-N 0 3 359.495 3.372 20 10 FGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850435010 731356843 /nfs/dbraw/zinc/35/68/43/731356843.db2.gz FWQIFHBICNGKBK-IAGOWNOFSA-N 0 3 350.890 3.311 20 10 FGCDHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858546264 732226155 /nfs/dbraw/zinc/22/61/55/732226155.db2.gz QSINWPRIYUSZHR-RFUYNDQBSA-N 0 3 350.890 3.395 20 10 FGCDHN OCC[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(Cl)c(F)c1 ZINC000865655050 733246619 /nfs/dbraw/zinc/24/66/19/733246619.db2.gz ZOXRRIVJUPILKY-AWEZNQCLSA-N 0 3 353.777 3.127 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000865793150 733271337 /nfs/dbraw/zinc/27/13/37/733271337.db2.gz WHVRKDWEZCISML-CTYIDZIISA-N 0 3 350.459 3.184 20 10 FGCDHN COc1ccc(CNCc2ccnc(SC)c2)cc1Cn1cccn1 ZINC000873100351 735720280 /nfs/dbraw/zinc/72/02/80/735720280.db2.gz QMXOTSNSPCNFQG-UHFFFAOYSA-N 0 3 354.479 3.347 20 10 FGCDHN COc1cc(CNCc2c(C)cccc2O)c(Br)cc1O ZINC000877608540 736692542 /nfs/dbraw/zinc/69/25/42/736692542.db2.gz SVRAMNOAJJMZOP-UHFFFAOYSA-N 0 3 352.228 3.467 20 10 FGCDHN Cc1cc(Cl)cc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1O ZINC000877691681 736706248 /nfs/dbraw/zinc/70/62/48/736706248.db2.gz OLVIZDDLCGXPLV-QGZVFWFLSA-N 0 3 350.802 3.260 20 10 FGCDHN COC(=O)c1scc(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649749 737022890 /nfs/dbraw/zinc/02/28/90/737022890.db2.gz FUTRRZKCNGRRKE-NEPJUHHUSA-N 0 3 362.451 3.227 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1[O-] ZINC000897781042 742713278 /nfs/dbraw/zinc/71/32/78/742713278.db2.gz NVSUSDMHBPDRLT-NBZBQWRSSA-N 0 3 356.260 3.211 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCc2cccnc2C)c1[O-] ZINC000898257546 742764937 /nfs/dbraw/zinc/76/49/37/742764937.db2.gz XWLDPUDGPCOXJE-UHFFFAOYSA-N 0 3 351.244 3.199 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779022828 724381923 /nfs/dbraw/zinc/38/19/23/724381923.db2.gz IIRZUWSHXYUODH-GFCCVEGCSA-N 0 3 362.367 3.154 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779022828 724381927 /nfs/dbraw/zinc/38/19/27/724381927.db2.gz IIRZUWSHXYUODH-GFCCVEGCSA-N 0 3 362.367 3.154 20 10 FGCDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089513461 494319222 /nfs/dbraw/zinc/31/92/22/494319222.db2.gz UJEKYOPHLKQHHI-CQSZACIVSA-N 0 3 359.401 3.421 20 10 FGCDHN O=C(c1ccccn1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000057103829 494642836 /nfs/dbraw/zinc/64/28/36/494642836.db2.gz HASXHACCKCKUSY-UHFFFAOYSA-N 0 3 361.445 3.289 20 10 FGCDHN O=C(c1ccccn1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000057103829 494642841 /nfs/dbraw/zinc/64/28/41/494642841.db2.gz HASXHACCKCKUSY-UHFFFAOYSA-N 0 3 361.445 3.289 20 10 FGCDHN CCOc1ccc(O)c(CN2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000093740699 494916640 /nfs/dbraw/zinc/91/66/40/494916640.db2.gz OVBYLLKIYOTPRL-UHFFFAOYSA-N 0 3 368.433 3.306 20 10 FGCDHN CN(C)c1ccc(CN2CCC(c3nnc4ccccn43)CC2)cc1F ZINC000120901614 495481120 /nfs/dbraw/zinc/48/11/20/495481120.db2.gz KDSFSYQKRRYDKH-UHFFFAOYSA-N 0 3 353.445 3.314 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000179738687 495711756 /nfs/dbraw/zinc/71/17/56/495711756.db2.gz ORJZPEPQECRDAB-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN CCOc1cccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[O-] ZINC000179738687 495711760 /nfs/dbraw/zinc/71/17/60/495711760.db2.gz ORJZPEPQECRDAB-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000179762734 495723650 /nfs/dbraw/zinc/72/36/50/495723650.db2.gz SLUKVJRSLCPOFI-UHFFFAOYSA-N 0 3 370.449 3.260 20 10 FGCDHN COc1ccc(O)c(CN2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000179848203 495757888 /nfs/dbraw/zinc/75/78/88/495757888.db2.gz JTULJCNSRROGKO-UHFFFAOYSA-N 0 3 355.438 3.187 20 10 FGCDHN COc1ccc(CN2CC[C@H](N[C@H](C)c3cc(C)ccc3O)C2=O)cc1 ZINC000186049941 495836709 /nfs/dbraw/zinc/83/67/09/495836709.db2.gz WKOSKWGIGWZZDO-BEFAXECRSA-N 0 3 354.450 3.161 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1[O-] ZINC000183386267 495958271 /nfs/dbraw/zinc/95/82/71/495958271.db2.gz OIBBIYAXQLHRAD-MRXNPFEDSA-N 0 3 374.506 3.418 20 10 FGCDHN C[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1O ZINC000183449016 495988913 /nfs/dbraw/zinc/98/89/13/495988913.db2.gz CIEDCSNXLPBWPA-CQSZACIVSA-N 0 3 362.495 3.320 20 10 FGCDHN C[C@H](NC[C@@](C)(O)c1cccs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157024688 496389070 /nfs/dbraw/zinc/38/90/70/496389070.db2.gz JSWMEGGZKIBZIG-IFXJQAMLSA-N 0 3 364.486 3.282 20 10 FGCDHN COc1cccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c1[O-] ZINC000187571061 496494224 /nfs/dbraw/zinc/49/42/24/496494224.db2.gz QUHKLOAQHORNKA-UHFFFAOYSA-N 0 3 356.344 3.069 20 10 FGCDHN COc1cc([O-])c(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1OC ZINC000184789760 496532298 /nfs/dbraw/zinc/53/22/98/496532298.db2.gz LYHHRAAASFPDPO-SFHVURJKSA-N 0 3 357.450 3.183 20 10 FGCDHN COc1cc([O-])c(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1OC ZINC000184789760 496532302 /nfs/dbraw/zinc/53/23/02/496532302.db2.gz LYHHRAAASFPDPO-SFHVURJKSA-N 0 3 357.450 3.183 20 10 FGCDHN C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000184965368 496603294 /nfs/dbraw/zinc/60/32/94/496603294.db2.gz ZUYINYWXUPOSMO-HNNXBMFYSA-N 0 3 371.456 3.285 20 10 FGCDHN C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184983572 496610522 /nfs/dbraw/zinc/61/05/22/496610522.db2.gz VNMAWJHXQBUUKY-GFCCVEGCSA-N 0 3 360.329 3.376 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000185049021 496637104 /nfs/dbraw/zinc/63/71/04/496637104.db2.gz AFVLCIFCORSCSK-BEFAXECRSA-N 0 3 354.450 3.415 20 10 FGCDHN Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(O)c1C ZINC000273417094 496800332 /nfs/dbraw/zinc/80/03/32/496800332.db2.gz RBDRHTFDXVADIE-OAHLLOKOSA-N 0 3 362.495 3.110 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1C ZINC000273417094 496800335 /nfs/dbraw/zinc/80/03/35/496800335.db2.gz RBDRHTFDXVADIE-OAHLLOKOSA-N 0 3 362.495 3.110 20 10 FGCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)c1 ZINC000273619808 496855259 /nfs/dbraw/zinc/85/52/59/496855259.db2.gz YQCZLOBYQKKNPR-ZDUSSCGKSA-N 0 3 360.429 3.230 20 10 FGCDHN CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccccc1[O-] ZINC000274963039 497206332 /nfs/dbraw/zinc/20/63/32/497206332.db2.gz XAFJRAVRAALSBW-HKUYNNGSSA-N 0 3 351.450 3.272 20 10 FGCDHN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000271795604 497452811 /nfs/dbraw/zinc/45/28/11/497452811.db2.gz HUFQULCFLLSDKY-XCLFUZPHSA-N 0 3 361.438 3.284 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000279994399 497612817 /nfs/dbraw/zinc/61/28/17/497612817.db2.gz FOKMXRWQGMTLGE-IBGZPJMESA-N 0 3 374.506 3.481 20 10 FGCDHN CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(C)cc1[O-] ZINC000280022127 497622999 /nfs/dbraw/zinc/62/29/99/497622999.db2.gz HMGRTQCAVCQPOZ-SFHVURJKSA-N 0 3 368.543 3.192 20 10 FGCDHN COC1CCN(c2ccc(CN3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000295953208 497866768 /nfs/dbraw/zinc/86/67/68/497866768.db2.gz ITXWYSSWNXVRFV-NJNPRVFISA-N 0 3 374.525 3.070 20 10 FGCDHN COC1CCN(c2ccc(CN3C[C@]4(CCOC4)OC(C)(C)C3)cc2)CC1 ZINC000296087395 497915743 /nfs/dbraw/zinc/91/57/43/497915743.db2.gz SZQKZQKFVFIGBL-QFIPXVFZSA-N 0 3 374.525 3.072 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1OC ZINC000285222248 498025683 /nfs/dbraw/zinc/02/56/83/498025683.db2.gz UYFUAIGMKBBMEB-QYZOEREBSA-N 0 3 369.461 3.414 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1OC ZINC000285222248 498025691 /nfs/dbraw/zinc/02/56/91/498025691.db2.gz UYFUAIGMKBBMEB-QYZOEREBSA-N 0 3 369.461 3.414 20 10 FGCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000285992333 498261571 /nfs/dbraw/zinc/26/15/71/498261571.db2.gz HBVOAYVHHUOFPE-GBESFXJTSA-N 0 3 350.478 3.340 20 10 FGCDHN COc1ccc([C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N(C)C)cc1OC ZINC000296992923 498280239 /nfs/dbraw/zinc/28/02/39/498280239.db2.gz SKMFJEGGYHAHMR-DLBZAZTESA-N 0 3 356.466 3.289 20 10 FGCDHN COC(=O)c1csc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000286227363 498330549 /nfs/dbraw/zinc/33/05/49/498330549.db2.gz SRQZYOVJGSMHKE-CQSZACIVSA-N 0 3 360.479 3.222 20 10 FGCDHN [O-]c1c(Br)cccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298119062 498669210 /nfs/dbraw/zinc/66/92/10/498669210.db2.gz OZLTXYQJBBSQJK-UHFFFAOYSA-N 0 3 362.271 3.308 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCn2cc(Br)cn2)c1 ZINC000287447468 498758964 /nfs/dbraw/zinc/75/89/64/498758964.db2.gz UWCOQPFWXMQEPH-LLVKDONJSA-N 0 3 354.248 3.101 20 10 FGCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000283488353 498902442 /nfs/dbraw/zinc/90/24/42/498902442.db2.gz XTDOUOWTSMECIG-KLHJMIIUSA-N 0 3 359.510 3.489 20 10 FGCDHN COC1CCN(c2ccc(CN3CC[C@H](n4cc(C)cn4)C3)cc2)CC1 ZINC000295275934 498963583 /nfs/dbraw/zinc/96/35/83/498963583.db2.gz ZVYNSBRRQRZQCY-FQEVSTJZSA-N 0 3 354.498 3.254 20 10 FGCDHN COC1CCN(c2ccc(CN3CC=C(c4ccnn4C)CC3)cc2)CC1 ZINC000295331552 498981892 /nfs/dbraw/zinc/98/18/92/498981892.db2.gz PALUVJJMMHOIFD-UHFFFAOYSA-N 0 3 366.509 3.325 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1[O-] ZINC000367068204 499143138 /nfs/dbraw/zinc/14/31/38/499143138.db2.gz PXTZTGHJAOLRSJ-DRZCJDIDSA-N 0 3 367.287 3.171 20 10 FGCDHN Cc1cc(C(=O)N2CCCC23CCN(C)CC3)c(C)n1-c1ccccn1 ZINC000367353253 499186953 /nfs/dbraw/zinc/18/69/53/499186953.db2.gz HGNZCFYJBXGNPE-UHFFFAOYSA-N 0 3 352.482 3.190 20 10 FGCDHN CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000371697807 499356574 /nfs/dbraw/zinc/35/65/74/499356574.db2.gz BOQODZSJRAHHGG-GOSISDBHSA-N 0 3 374.481 3.124 20 10 FGCDHN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000371697807 499356576 /nfs/dbraw/zinc/35/65/76/499356576.db2.gz BOQODZSJRAHHGG-GOSISDBHSA-N 0 3 374.481 3.124 20 10 FGCDHN CCCn1nccc1C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000369121181 499367735 /nfs/dbraw/zinc/36/77/35/499367735.db2.gz CLNXGULKVLWHIC-UHFFFAOYSA-N 0 3 359.470 3.396 20 10 FGCDHN CCCn1nccc1C1CC[NH+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000369121181 499367737 /nfs/dbraw/zinc/36/77/37/499367737.db2.gz CLNXGULKVLWHIC-UHFFFAOYSA-N 0 3 359.470 3.396 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693040 499720553 /nfs/dbraw/zinc/72/05/53/499720553.db2.gz CGKFDJZKBVSVSJ-PBHICJAKSA-N 0 3 356.470 3.148 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000377693040 499720555 /nfs/dbraw/zinc/72/05/55/499720555.db2.gz CGKFDJZKBVSVSJ-PBHICJAKSA-N 0 3 356.470 3.148 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377865550 499743583 /nfs/dbraw/zinc/74/35/83/499743583.db2.gz SORRPHGUKXEINE-QGZVFWFLSA-N 0 3 369.509 3.496 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377865550 499743584 /nfs/dbraw/zinc/74/35/84/499743584.db2.gz SORRPHGUKXEINE-QGZVFWFLSA-N 0 3 369.509 3.496 20 10 FGCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356532 712858199 /nfs/dbraw/zinc/85/81/99/712858199.db2.gz QBYQVKLKKHIHDA-IBGZPJMESA-N 0 3 360.885 3.426 20 10 FGCDHN COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000310808003 713800901 /nfs/dbraw/zinc/80/09/01/713800901.db2.gz ARPLBBXALSALMO-OAHLLOKOSA-N 0 3 350.459 3.280 20 10 FGCDHN CC1(C)CN(C2(C[NH2+]Cc3cc(F)ccc3[O-])CCCCC2)CCO1 ZINC000779079256 724388672 /nfs/dbraw/zinc/38/86/72/724388672.db2.gz WCUMTPYOQBTGIO-UHFFFAOYSA-N 0 3 350.478 3.435 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000781909804 724611420 /nfs/dbraw/zinc/61/14/20/724611420.db2.gz QUSXGYDDSZZBLL-CJNGLKHVSA-N 0 3 353.304 3.379 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000781909804 724611422 /nfs/dbraw/zinc/61/14/22/724611422.db2.gz QUSXGYDDSZZBLL-CJNGLKHVSA-N 0 3 353.304 3.379 20 10 FGCDHN CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CCC1 ZINC000754101511 722927534 /nfs/dbraw/zinc/92/75/34/722927534.db2.gz GHZZKSWQUBQLFE-LBPRGKRZSA-N 0 3 369.303 3.420 20 10 FGCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000756492982 722965568 /nfs/dbraw/zinc/96/55/68/722965568.db2.gz BJCGCMPWZGLWKX-RYUDHWBXSA-N 0 3 352.431 3.315 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c2c1c(F)ccc2[O-] ZINC000756743845 722969427 /nfs/dbraw/zinc/96/94/27/722969427.db2.gz WWAJZXILGGFXEI-XHDPSFHLSA-N 0 3 361.438 3.199 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000761216805 723133988 /nfs/dbraw/zinc/13/39/88/723133988.db2.gz XVOSAGCYIPEPAG-GOSISDBHSA-N 0 3 351.805 3.287 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000761216805 723133989 /nfs/dbraw/zinc/13/39/89/723133989.db2.gz XVOSAGCYIPEPAG-GOSISDBHSA-N 0 3 351.805 3.287 20 10 FGCDHN COc1cc(Cl)cc(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000761216805 723133992 /nfs/dbraw/zinc/13/39/92/723133992.db2.gz XVOSAGCYIPEPAG-GOSISDBHSA-N 0 3 351.805 3.287 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000762481048 723246938 /nfs/dbraw/zinc/24/69/38/723246938.db2.gz OFZYOEKGDDMIFI-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC000793599666 723453055 /nfs/dbraw/zinc/45/30/55/723453055.db2.gz IAEZYOQFWVKRIW-LLVKDONJSA-N 0 3 358.866 3.447 20 10 FGCDHN C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766533634 723579207 /nfs/dbraw/zinc/57/92/07/723579207.db2.gz BSGYWCTYPZISHI-BFYDXBDKSA-N 0 3 368.905 3.021 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1[O-] ZINC000770285207 723710373 /nfs/dbraw/zinc/71/03/73/723710373.db2.gz DSUOVGVUKUVWDA-FZMZJTMJSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1[O-] ZINC000770285207 723710375 /nfs/dbraw/zinc/71/03/75/723710375.db2.gz DSUOVGVUKUVWDA-FZMZJTMJSA-N 0 3 356.260 3.164 20 10 FGCDHN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000773043635 723775262 /nfs/dbraw/zinc/77/52/62/723775262.db2.gz DTJQERZUDPJLFH-PBHICJAKSA-N 0 3 364.486 3.416 20 10 FGCDHN C[C@@H](NCC1([S@](C)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798004132 723897634 /nfs/dbraw/zinc/89/76/34/723897634.db2.gz KARPXJKUFNQVHF-SHACYNPGSA-N 0 3 370.946 3.128 20 10 FGCDHN Cc1cc(Br)cc(CN2CCC(O[C@H]3CCOC3)CC2)c1O ZINC000775727772 724032008 /nfs/dbraw/zinc/03/20/08/724032008.db2.gz YGOGMSNNFXAZHC-INIZCTEOSA-N 0 3 370.287 3.233 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000784682794 724872043 /nfs/dbraw/zinc/87/20/43/724872043.db2.gz MFZRXEMBBDRMAT-CVEARBPZSA-N 0 3 356.260 3.211 20 10 FGCDHN C[C@@H](NCCOC(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000788979418 725100382 /nfs/dbraw/zinc/10/03/82/725100382.db2.gz FWNPRJNBCAJOSI-LLVKDONJSA-N 0 3 352.784 3.364 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1[O-] ZINC000808681154 725213320 /nfs/dbraw/zinc/21/33/20/725213320.db2.gz VQCWUTUNBCINJD-CYBMUJFWSA-N 0 3 353.871 3.479 20 10 FGCDHN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])cc1 ZINC000808704461 725214341 /nfs/dbraw/zinc/21/43/41/725214341.db2.gz RKVKPBWPCVFTDS-ZDUSSCGKSA-N 0 3 362.857 3.443 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](O)Cc2ccccc2)c1[O-] ZINC000809722906 725262653 /nfs/dbraw/zinc/26/26/53/725262653.db2.gz MOPITEJKLXVFDL-MRXNPFEDSA-N 0 3 350.256 3.156 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCCC2CCOCC2)c1[O-] ZINC000824477374 729341745 /nfs/dbraw/zinc/34/17/45/729341745.db2.gz QRHIGMQRWHCYBT-UHFFFAOYSA-N 0 3 358.276 3.460 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](O)CC(C)(C)C2)c1O ZINC000825091004 729370272 /nfs/dbraw/zinc/37/02/72/729370272.db2.gz QRSBRHVRRHZWCO-ZDUSSCGKSA-N 0 3 358.276 3.146 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1Cl ZINC000825303315 729377751 /nfs/dbraw/zinc/37/77/51/729377751.db2.gz HIKMFPOSDUYEQR-FQEVSTJZSA-N 0 3 360.885 3.081 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)c1[O-] ZINC000841763743 730271868 /nfs/dbraw/zinc/27/18/68/730271868.db2.gz AJIJKRWYZCVTOM-JQWIXIFHSA-N 0 3 363.246 3.453 20 10 FGCDHN COc1cc(Br)cc(CN2CCC([C@@H](C)CO)CC2)c1O ZINC000846058182 730924240 /nfs/dbraw/zinc/92/42/40/730924240.db2.gz MXGUKERALXNFOH-NSHDSACASA-N 0 3 358.276 3.004 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000848527934 731175678 /nfs/dbraw/zinc/17/56/78/731175678.db2.gz AHZMIOYXWLPRLN-GMXVVIOVSA-N 0 3 357.292 3.297 20 10 FGCDHN CCOC(=O)CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC000848927781 731222193 /nfs/dbraw/zinc/22/21/93/731222193.db2.gz NNUMODCNBWNTTQ-UHFFFAOYSA-N 0 3 374.275 3.327 20 10 FGCDHN CCOC(=O)CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC000848927781 731222195 /nfs/dbraw/zinc/22/21/95/731222195.db2.gz NNUMODCNBWNTTQ-UHFFFAOYSA-N 0 3 374.275 3.327 20 10 FGCDHN COc1ccc(N2CC[C@H](NCc3cn4cc(Cl)ccc4n3)C2)cc1 ZINC000850347686 731345417 /nfs/dbraw/zinc/34/54/17/731345417.db2.gz VWUYNVUILMPJBD-HNNXBMFYSA-N 0 3 356.857 3.365 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1[O-] ZINC000850421500 731355421 /nfs/dbraw/zinc/35/54/21/731355421.db2.gz YAULOMJLKPUHKG-BDJLRTHQSA-N 0 3 366.255 3.375 20 10 FGCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000850484717 731361581 /nfs/dbraw/zinc/36/15/81/731361581.db2.gz OXLFGKJYFYUXIP-YWPYICTPSA-N 0 3 358.276 3.165 20 10 FGCDHN C[C@@H](NCCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850519435 731368563 /nfs/dbraw/zinc/36/85/63/731368563.db2.gz LTUJHCUKZMQSBI-WBMJQRKESA-N 0 3 360.832 3.251 20 10 FGCDHN C[C@@H](NCCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000850519434 731368616 /nfs/dbraw/zinc/36/86/16/731368616.db2.gz LTUJHCUKZMQSBI-MLGOLLRUSA-N 0 3 360.832 3.251 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)c2c1c(F)ccc2[O-] ZINC000850530792 731369768 /nfs/dbraw/zinc/36/97/68/731369768.db2.gz CNYZTEUBEHCTNA-TZMCWYRMSA-N 0 3 355.475 3.417 20 10 FGCDHN CN(C)c1cc(F)c(CNC[C@](C)(O)c2ccc(F)cc2F)cc1F ZINC000858136981 732184632 /nfs/dbraw/zinc/18/46/32/732184632.db2.gz BTGICFLGGXBECY-SFHVURJKSA-N 0 3 356.363 3.306 20 10 FGCDHN CN(C)c1cc(F)c(CN(C)C2CCN(CC(F)(F)F)CC2)cc1F ZINC000862390516 732822775 /nfs/dbraw/zinc/82/27/75/732822775.db2.gz GDJOPMRXMYZEOH-UHFFFAOYSA-N 0 3 365.390 3.489 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1[O-] ZINC000872112890 735589816 /nfs/dbraw/zinc/58/98/16/735589816.db2.gz LPPREFAYJVCDIY-MNOVXSKESA-N 0 3 372.259 3.157 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1[O-] ZINC000872111848 735589881 /nfs/dbraw/zinc/58/98/81/735589881.db2.gz GSVZTFWZEYQHBP-NEPJUHHUSA-N 0 3 356.260 3.457 20 10 FGCDHN Cc1ncc([C@@H](C)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886749665 739290866 /nfs/dbraw/zinc/29/08/66/739290866.db2.gz ZPNFQTYGWLTAQA-CYBMUJFWSA-N 0 3 358.511 3.004 20 10 FGCDHN COc1ccc(CN[C@@H](C)c2ccc(Br)cn2)c(O)c1OC ZINC000894169523 742247997 /nfs/dbraw/zinc/24/79/97/742247997.db2.gz LLNQBJWCRBIHOA-JTQLQIEISA-N 0 3 367.243 3.418 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1[O-] ZINC000895822586 742457702 /nfs/dbraw/zinc/45/77/02/742457702.db2.gz ORFIVVHAAMGIJY-ZQUVKOLYSA-N 0 3 355.862 3.116 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897616658 742696351 /nfs/dbraw/zinc/69/63/51/742696351.db2.gz VTBRIZWFDYZHAQ-NSHDSACASA-N 0 3 353.344 3.199 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897616658 742696353 /nfs/dbraw/zinc/69/63/53/742696353.db2.gz VTBRIZWFDYZHAQ-NSHDSACASA-N 0 3 353.344 3.199 20 10 FGCDHN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCN(C2CCC2)C1 ZINC000908356870 744282113 /nfs/dbraw/zinc/28/21/13/744282113.db2.gz CLIDOSUBIKISEX-GFCCVEGCSA-N 0 3 360.479 3.259 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)NCc2ccnc(N(C)C)n2)c1O ZINC000779040391 724383613 /nfs/dbraw/zinc/38/36/13/724383613.db2.gz IDZCDSFEHIHTQP-LLVKDONJSA-N 0 3 365.275 3.170 20 10 FGCDHN O[C@H](c1ccccc1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000124585629 495311858 /nfs/dbraw/zinc/31/18/58/495311858.db2.gz KBVHPIAVDJIXGN-HSZRJFAPSA-N 0 3 366.505 3.469 20 10 FGCDHN C[C@H](NC[C@H](O)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000130429233 495391416 /nfs/dbraw/zinc/39/14/16/495391416.db2.gz ROBMPKSXIYTVNR-XOBRGWDASA-N 0 3 362.420 3.186 20 10 FGCDHN COc1cccc(CN[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1O ZINC000185353813 495543919 /nfs/dbraw/zinc/54/39/19/495543919.db2.gz YNACKIZKIURWSW-SFHVURJKSA-N 0 3 358.413 3.123 20 10 FGCDHN CCCOc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c([O-])c1 ZINC000185692936 495681993 /nfs/dbraw/zinc/68/19/93/495681993.db2.gz WQKNALVGXVPBIF-UHFFFAOYSA-N 0 3 356.466 3.496 20 10 FGCDHN CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000171128901 495736188 /nfs/dbraw/zinc/73/61/88/495736188.db2.gz QUCUUMDSBWTZMR-UHFFFAOYSA-N 0 3 354.450 3.185 20 10 FGCDHN CNC(=O)CC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000183091138 495830715 /nfs/dbraw/zinc/83/07/15/495830715.db2.gz DOACQRSQHBRJFW-UHFFFAOYSA-N 0 3 368.477 3.319 20 10 FGCDHN COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2=O)cc1 ZINC000186050296 495836531 /nfs/dbraw/zinc/83/65/31/495836531.db2.gz PAAKYGJWIWKPBV-DNVCBOLYSA-N 0 3 354.450 3.161 20 10 FGCDHN C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160118408 495887962 /nfs/dbraw/zinc/88/79/62/495887962.db2.gz CVRHOWXHXHHXOH-IFXJQAMLSA-N 0 3 364.486 3.282 20 10 FGCDHN CC(C)(CC(N)=O)NCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000186252111 495914982 /nfs/dbraw/zinc/91/49/82/495914982.db2.gz QWWYOXABRBANAQ-WCWDXBQESA-N 0 3 353.426 3.284 20 10 FGCDHN C[C@@H](NCc1ccccc1CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000160442912 495964465 /nfs/dbraw/zinc/96/44/65/495964465.db2.gz CSSKLRBHTCBLBI-GOSISDBHSA-N 0 3 353.510 3.436 20 10 FGCDHN C[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1O ZINC000183448998 495989553 /nfs/dbraw/zinc/98/95/53/495989553.db2.gz CIEDCSNXLPBWPA-AWEZNQCLSA-N 0 3 362.495 3.320 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1[O-] ZINC000183458449 495993003 /nfs/dbraw/zinc/99/30/03/495993003.db2.gz ZKAINLIGPOIKAP-BBWFWOEESA-N 0 3 368.477 3.492 20 10 FGCDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000183607796 496046321 /nfs/dbraw/zinc/04/63/21/496046321.db2.gz LJHSWQQEZGESGV-MRXNPFEDSA-N 0 3 374.506 3.037 20 10 FGCDHN Cc1cc(Br)cc(CN2CCS[C@H]3COCC[C@@H]32)c1O ZINC000180683099 496102434 /nfs/dbraw/zinc/10/24/34/496102434.db2.gz AFDZYSLKCNCYAX-KBPBESRZSA-N 0 3 358.301 3.169 20 10 FGCDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180787842 496147063 /nfs/dbraw/zinc/14/70/63/496147063.db2.gz PNINUNZBCYHLLM-DZZUKKPASA-N 0 3 366.461 3.453 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000177826080 496212531 /nfs/dbraw/zinc/21/25/31/496212531.db2.gz KUJQZIHKUKRGKK-GOSISDBHSA-N 0 3 367.541 3.140 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1OC ZINC000181614991 496471957 /nfs/dbraw/zinc/47/19/57/496471957.db2.gz WPCPFIAOUHYVNK-MRXNPFEDSA-N 0 3 360.454 3.319 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000184684764 496492373 /nfs/dbraw/zinc/49/23/73/496492373.db2.gz OEVGLPFXUTYGJI-MRXNPFEDSA-N 0 3 355.862 3.214 20 10 FGCDHN C[C@@H](NCc1cccnc1N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184986427 496612158 /nfs/dbraw/zinc/61/21/58/496612158.db2.gz DLKSCERTVPEOFC-MRXNPFEDSA-N 0 3 367.493 3.353 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c1 ZINC000185010826 496621226 /nfs/dbraw/zinc/62/12/26/496621226.db2.gz GCTWPFQFVVLDKT-HNNXBMFYSA-N 0 3 354.450 3.374 20 10 FGCDHN COc1ccc(O)c(CNCc2ccc(C)nc2-n2cc(Cl)cn2)c1 ZINC000191503764 496787880 /nfs/dbraw/zinc/78/78/80/496787880.db2.gz FVRBKWSZYJETAA-UHFFFAOYSA-N 0 3 358.829 3.233 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c([O-])c1 ZINC000273463007 496813182 /nfs/dbraw/zinc/81/31/82/496813182.db2.gz DDSAGWGHFMDBNZ-GJZGRUSLSA-N 0 3 362.495 3.363 20 10 FGCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273604832 496851773 /nfs/dbraw/zinc/85/17/73/496851773.db2.gz SYXBGKOUWWGRCJ-HNNXBMFYSA-N 0 3 371.456 3.051 20 10 FGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479762 497564510 /nfs/dbraw/zinc/56/45/10/497564510.db2.gz YZWYTGVRWIPOII-YLJYHZDGSA-N 0 3 367.493 3.444 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000285435265 498082526 /nfs/dbraw/zinc/08/25/26/498082526.db2.gz YTPMCXBUBNZLLS-OAHLLOKOSA-N 0 3 359.445 3.231 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000286230312 498332186 /nfs/dbraw/zinc/33/21/86/498332186.db2.gz STXSGDXCRZXKIR-QUCCMNQESA-N 0 3 358.457 3.339 20 10 FGCDHN COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1OC ZINC000290112005 498432570 /nfs/dbraw/zinc/43/25/70/498432570.db2.gz ISMXUUSQDAEIHN-ZUOKHONESA-N 0 3 363.429 3.193 20 10 FGCDHN CSc1cncc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000302273711 498463236 /nfs/dbraw/zinc/46/32/36/498463236.db2.gz SOEQPSVNZWTXTC-UHFFFAOYSA-N 0 3 369.538 3.343 20 10 FGCDHN CN(C)c1ccc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1F ZINC000282920275 498710195 /nfs/dbraw/zinc/71/01/95/498710195.db2.gz HGWFPCWMGFVTED-KRWDZBQOSA-N 0 3 356.445 3.288 20 10 FGCDHN COc1ccc(O)c(CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000291006816 498754876 /nfs/dbraw/zinc/75/48/76/498754876.db2.gz DEZHBBJLYFVEJW-UHFFFAOYSA-N 0 3 362.470 3.376 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000291006816 498754879 /nfs/dbraw/zinc/75/48/79/498754879.db2.gz DEZHBBJLYFVEJW-UHFFFAOYSA-N 0 3 362.470 3.376 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000291006816 498754884 /nfs/dbraw/zinc/75/48/84/498754884.db2.gz DEZHBBJLYFVEJW-UHFFFAOYSA-N 0 3 362.470 3.376 20 10 FGCDHN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000366200444 498820697 /nfs/dbraw/zinc/82/06/97/498820697.db2.gz JHUMJHVGKPBITC-OAQYLSRUSA-N 0 3 367.493 3.077 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294911476 498847739 /nfs/dbraw/zinc/84/77/39/498847739.db2.gz XZSOGSZXNPCIOM-LBPRGKRZSA-N 0 3 354.878 3.168 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294911476 498847746 /nfs/dbraw/zinc/84/77/46/498847746.db2.gz XZSOGSZXNPCIOM-LBPRGKRZSA-N 0 3 354.878 3.168 20 10 FGCDHN COc1ccc([C@H](O)C2CC[NH+](Cc3cccc(OC)c3[O-])CC2)cc1 ZINC000291241721 498859122 /nfs/dbraw/zinc/85/91/22/498859122.db2.gz LGNRYWCNHOBZSM-FQEVSTJZSA-N 0 3 357.450 3.355 20 10 FGCDHN Cc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000288258379 498978447 /nfs/dbraw/zinc/97/84/47/498978447.db2.gz GJZBZBFHWSTOPH-CRAIPNDOSA-N 0 3 352.482 3.188 20 10 FGCDHN OCC1CCN(c2ccc(CNc3ccncc3-c3cccnc3)cc2)CC1 ZINC000366817647 499084304 /nfs/dbraw/zinc/08/43/04/499084304.db2.gz HQDSEULJKIDMOU-UHFFFAOYSA-N 0 3 374.488 3.386 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c1 ZINC000372587790 499150228 /nfs/dbraw/zinc/15/02/28/499150228.db2.gz ABJUDONCBXWKGK-QAPCUYQASA-N 0 3 358.482 3.186 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598008 499151457 /nfs/dbraw/zinc/15/14/57/499151457.db2.gz FCUVBDYVKKRPEZ-OCCSQVGLSA-N 0 3 358.442 3.023 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598008 499151458 /nfs/dbraw/zinc/15/14/58/499151458.db2.gz FCUVBDYVKKRPEZ-OCCSQVGLSA-N 0 3 358.442 3.023 20 10 FGCDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCOCC2)cc1 ZINC000367350874 499186583 /nfs/dbraw/zinc/18/65/83/499186583.db2.gz YLFTVDRIXQZMPU-RTWAWAEBSA-N 0 3 364.493 3.077 20 10 FGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370662589 499241385 /nfs/dbraw/zinc/24/13/85/499241385.db2.gz MTSMECVZNCPUBU-LPHOPBHVSA-N 0 3 352.482 3.103 20 10 FGCDHN COc1ccc(N2CCC(N(C)C(=O)C[C@@H](N)c3ccccc3)CC2)cc1 ZINC000370861335 499263593 /nfs/dbraw/zinc/26/35/93/499263593.db2.gz MIRVPCBVIHTQGO-OAQYLSRUSA-N 0 3 367.493 3.213 20 10 FGCDHN O=C1CCCC(=O)N1C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000372372881 499425816 /nfs/dbraw/zinc/42/58/16/499425816.db2.gz AODLMNBYYBYGDI-UHFFFAOYSA-N 0 3 369.509 3.180 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)CCN2C)c1cccc(N2CCOCC2)c1 ZINC000372417020 499432214 /nfs/dbraw/zinc/43/22/14/499432214.db2.gz NKNODLGDQGUZJE-KRWDZBQOSA-N 0 3 351.494 3.366 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000378382200 499509889 /nfs/dbraw/zinc/50/98/89/499509889.db2.gz YJGWFNDOCKVKEJ-MJGOQNOKSA-N 0 3 359.470 3.003 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000378382200 499509890 /nfs/dbraw/zinc/50/98/90/499509890.db2.gz YJGWFNDOCKVKEJ-MJGOQNOKSA-N 0 3 359.470 3.003 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000375648945 499541340 /nfs/dbraw/zinc/54/13/40/499541340.db2.gz NLXMJYQRNXYVJM-MAUKXSAKSA-N 0 3 353.466 3.119 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1)c1ccccc1[O-] ZINC000377627503 499712501 /nfs/dbraw/zinc/71/25/01/499712501.db2.gz MJLBGAYBIZQMFY-YESZJQIVSA-N 0 3 358.486 3.436 20 10 FGCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433361452 500681071 /nfs/dbraw/zinc/68/10/71/500681071.db2.gz HCBZSGGBYAJXQX-IBGZPJMESA-N 0 3 353.466 3.171 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)ccc21 ZINC000607689959 506228083 /nfs/dbraw/zinc/22/80/83/506228083.db2.gz USAIYWOLXFRVDG-RDTXWAMCSA-N 0 3 357.498 3.117 20 10 FGCDHN CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927698 604764394 /nfs/dbraw/zinc/76/43/94/604764394.db2.gz BNIQBXMZLBNFDT-HNAYVOBHSA-N 0 3 354.450 3.160 20 10 FGCDHN CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927698 604764395 /nfs/dbraw/zinc/76/43/95/604764395.db2.gz BNIQBXMZLBNFDT-HNAYVOBHSA-N 0 3 354.450 3.160 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826268536 608513118 /nfs/dbraw/zinc/51/31/18/608513118.db2.gz BSNLSIUYJMYOAA-FQEVSTJZSA-N 0 3 362.481 3.408 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826268536 608513121 /nfs/dbraw/zinc/51/31/21/608513121.db2.gz BSNLSIUYJMYOAA-FQEVSTJZSA-N 0 3 362.481 3.408 20 10 FGCDHN CC(C)(C)c1cc(CN[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000101589773 700469206 /nfs/dbraw/zinc/46/92/06/700469206.db2.gz NFSPLPHCAJKTQP-OAHLLOKOSA-N 0 3 353.528 3.264 20 10 FGCDHN O=[N+]([O-])c1cc(Cl)cc(CN2CCC(C[NH+]3CCCC3)CC2)c1[O-] ZINC000134204045 704815444 /nfs/dbraw/zinc/81/54/44/704815444.db2.gz BHKSXUUALWXBLV-UHFFFAOYSA-N 0 3 353.850 3.262 20 10 FGCDHN CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000151631239 704930990 /nfs/dbraw/zinc/93/09/90/704930990.db2.gz PGPXDRWCTOVHEH-HNNXBMFYSA-N 0 3 364.540 3.227 20 10 FGCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000248562499 713653215 /nfs/dbraw/zinc/65/32/15/713653215.db2.gz BBJIJOMFTWHUAT-APHBMKBZSA-N 0 3 350.434 3.266 20 10 FGCDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000248562499 713653219 /nfs/dbraw/zinc/65/32/19/713653219.db2.gz BBJIJOMFTWHUAT-APHBMKBZSA-N 0 3 350.434 3.266 20 10 FGCDHN CN1C(=O)C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000779100505 724390091 /nfs/dbraw/zinc/39/00/91/724390091.db2.gz SDBNPMSLMFVRIZ-MAUKXSAKSA-N 0 3 366.795 3.385 20 10 FGCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](OC(F)F)C2)c1[O-] ZINC000802746534 724404036 /nfs/dbraw/zinc/40/40/36/724404036.db2.gz CRYMTDIAOBEAFM-LBPRGKRZSA-N 0 3 351.349 3.146 20 10 FGCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](OC(F)F)C2)c1[O-] ZINC000802746534 724404038 /nfs/dbraw/zinc/40/40/38/724404038.db2.gz CRYMTDIAOBEAFM-LBPRGKRZSA-N 0 3 351.349 3.146 20 10 FGCDHN COC[C@@H]1CCCC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768542658 723661085 /nfs/dbraw/zinc/66/10/85/723661085.db2.gz YQVGPAVHAQRHSY-GFCCVEGCSA-N 0 3 358.276 3.412 20 10 FGCDHN COC[C@@H]1CCCC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768542658 723661088 /nfs/dbraw/zinc/66/10/88/723661088.db2.gz YQVGPAVHAQRHSY-GFCCVEGCSA-N 0 3 358.276 3.412 20 10 FGCDHN COc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000780533624 724477244 /nfs/dbraw/zinc/47/72/44/724477244.db2.gz VCNCWKBWFHMVMO-QGZVFWFLSA-N 0 3 361.873 3.203 20 10 FGCDHN Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)[nH]1 ZINC000781907155 724610438 /nfs/dbraw/zinc/61/04/38/724610438.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 0 3 365.275 3.269 20 10 FGCDHN Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)[nH]1 ZINC000781907155 724610440 /nfs/dbraw/zinc/61/04/40/724610440.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 0 3 365.275 3.269 20 10 FGCDHN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC000781907155 724610445 /nfs/dbraw/zinc/61/04/45/724610445.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 0 3 365.275 3.269 20 10 FGCDHN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)n1 ZINC000781907155 724610447 /nfs/dbraw/zinc/61/04/47/724610447.db2.gz FGAARQKIOVHWHO-GFCCVEGCSA-N 0 3 365.275 3.269 20 10 FGCDHN COC(=O)C[C@@H]1CSCCN1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000740854954 722538399 /nfs/dbraw/zinc/53/83/99/722538399.db2.gz KZTFCYPDVWDXHP-OAHLLOKOSA-N 0 3 351.512 3.479 20 10 FGCDHN CCN(CC)C(=O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761196203 723132045 /nfs/dbraw/zinc/13/20/45/723132045.db2.gz XWKJKJITOJDSDZ-UHFFFAOYSA-N 0 3 354.878 3.135 20 10 FGCDHN CCn1cccc(CNCc2ccc(N(C)C)cc2C(F)(F)F)c1=O ZINC000793183012 723408145 /nfs/dbraw/zinc/40/81/45/723408145.db2.gz AFFXSJJAVWUZKR-UHFFFAOYSA-N 0 3 353.388 3.243 20 10 FGCDHN COc1cc(Br)cc(CN2CCC(c3ncc[nH]3)CC2)c1O ZINC000769188794 723679085 /nfs/dbraw/zinc/67/90/85/723679085.db2.gz ILISLDULIWRHNZ-UHFFFAOYSA-N 0 3 366.259 3.266 20 10 FGCDHN CC[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(N(C)C)cc1 ZINC000773038672 723774955 /nfs/dbraw/zinc/77/49/55/723774955.db2.gz BDOYUKMWOFHSKE-IBGZPJMESA-N 0 3 358.507 3.323 20 10 FGCDHN COc1cccc(O)c1CNCc1cc(Cl)ccc1N1CCOCC1 ZINC000798499060 723938110 /nfs/dbraw/zinc/93/81/10/723938110.db2.gz KMIREUGAHUEAPQ-UHFFFAOYSA-N 0 3 362.857 3.181 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1[O-] ZINC000776250303 724123857 /nfs/dbraw/zinc/12/38/57/724123857.db2.gz GJZCQORPLXZDNK-HNNXBMFYSA-N 0 3 370.287 3.281 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1[O-] ZINC000808680156 725213219 /nfs/dbraw/zinc/21/32/19/725213219.db2.gz CWHLQLLUGKFJMQ-RDTXWAMCSA-N 0 3 370.946 3.213 20 10 FGCDHN C[NH+](C)CCN(Cc1ccco1)Cc1cc(Br)ccc1[O-] ZINC000809746470 725264643 /nfs/dbraw/zinc/26/46/43/725264643.db2.gz UFUBJUZSUTULTM-UHFFFAOYSA-N 0 3 353.260 3.312 20 10 FGCDHN Cc1nccn1CCC[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809752533 725265259 /nfs/dbraw/zinc/26/52/59/725265259.db2.gz FOWDEAIZIJKJIS-UHFFFAOYSA-N 0 3 352.276 3.490 20 10 FGCDHN Cc1nccn1CCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000809752533 725265261 /nfs/dbraw/zinc/26/52/61/725265261.db2.gz FOWDEAIZIJKJIS-UHFFFAOYSA-N 0 3 352.276 3.490 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1[O-] ZINC000815148436 727045972 /nfs/dbraw/zinc/04/59/72/727045972.db2.gz WDHWUXQXIMBCIN-VIFPVBQESA-N 0 3 353.216 3.115 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN(C)[C@@H]2CCCCNC2=O)cc1 ZINC000823422999 729278947 /nfs/dbraw/zinc/27/89/47/729278947.db2.gz APVZOAXZKHFJOD-LJQANCHMSA-N 0 3 357.523 3.485 20 10 FGCDHN CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccccc1[O-] ZINC000824544027 729346551 /nfs/dbraw/zinc/34/65/51/729346551.db2.gz SHNYRRZXHADTMK-CQSZACIVSA-N 0 3 351.244 3.057 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824715787 729356352 /nfs/dbraw/zinc/35/63/52/729356352.db2.gz NOBOUCRXUJIXSM-KFWWJZLASA-N 0 3 370.287 3.289 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824715787 729356356 /nfs/dbraw/zinc/35/63/56/729356356.db2.gz NOBOUCRXUJIXSM-KFWWJZLASA-N 0 3 370.287 3.289 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1[O-] ZINC000824846113 729361826 /nfs/dbraw/zinc/36/18/26/729361826.db2.gz PWZBXNOSSVWWDS-HOCLYGCPSA-N 0 3 370.287 3.050 20 10 FGCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000840959776 730197641 /nfs/dbraw/zinc/19/76/41/730197641.db2.gz UXGSKAPESHWCEN-INIZCTEOSA-N 0 3 366.255 3.329 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000840959776 730197644 /nfs/dbraw/zinc/19/76/44/730197644.db2.gz UXGSKAPESHWCEN-INIZCTEOSA-N 0 3 366.255 3.329 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000840964262 730198335 /nfs/dbraw/zinc/19/83/35/730198335.db2.gz VPDMYMSYYKCPNQ-CQSZACIVSA-N 0 3 368.246 3.468 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841087431 730209183 /nfs/dbraw/zinc/20/91/83/730209183.db2.gz NMTMPLFWHSLBOU-BBRMVZONSA-N 0 3 353.304 3.427 20 10 FGCDHN COc1cc(CNCc2cccc(C)c2O)c(Br)cc1O ZINC000843437625 730621106 /nfs/dbraw/zinc/62/11/06/730621106.db2.gz QHNYWAPGGOGYKN-UHFFFAOYSA-N 0 3 352.228 3.467 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccccn2)c1[O-] ZINC000848514925 731173806 /nfs/dbraw/zinc/17/38/06/731173806.db2.gz TYANVONXFJCIGY-NSHDSACASA-N 0 3 351.244 3.452 20 10 FGCDHN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848527039 731175736 /nfs/dbraw/zinc/17/57/36/731175736.db2.gz PNQBEHWKJREFFZ-WDEREUQCSA-N 0 3 373.291 3.119 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)c1[O-] ZINC000848529525 731175909 /nfs/dbraw/zinc/17/59/09/731175909.db2.gz PHDRETZIGXFXOF-GVXVVHGQSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1[O-] ZINC000848533684 731176655 /nfs/dbraw/zinc/17/66/55/731176655.db2.gz JRFLHNPPSGOSIJ-JTQLQIEISA-N 0 3 373.291 3.119 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000848533157 731176701 /nfs/dbraw/zinc/17/67/01/731176701.db2.gz OKKYYOAZYBEKNI-BXKDBHETSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccncc2)c1[O-] ZINC000848533585 731176970 /nfs/dbraw/zinc/17/69/70/731176970.db2.gz SVVYGPGOUMXVMS-LLVKDONJSA-N 0 3 351.244 3.452 20 10 FGCDHN CCc1nc([C@H](C)N[C@H](C)c2cc(Br)cc(OC)c2O)n[nH]1 ZINC000848534993 731177141 /nfs/dbraw/zinc/17/71/41/731177141.db2.gz AALQVUZAPFFKLU-BDAKNGLRSA-N 0 3 369.263 3.256 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1[O-] ZINC000850352019 731347059 /nfs/dbraw/zinc/34/70/59/731347059.db2.gz YSPICPVBTTYSSA-CYBMUJFWSA-N 0 3 357.292 3.126 20 10 FGCDHN COc1cc(Br)cc(CN[C@H]2C[C@H](O)c3ccccc32)c1O ZINC000850372813 731349598 /nfs/dbraw/zinc/34/95/98/731349598.db2.gz ZIDMGUNHOVZFSB-GJZGRUSLSA-N 0 3 364.239 3.431 20 10 FGCDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000850545575 731371615 /nfs/dbraw/zinc/37/16/15/731371615.db2.gz HILXZNLYJOWLTQ-KKXDTOCCSA-N 0 3 350.890 3.131 20 10 FGCDHN COCCc1ncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000865432456 733199326 /nfs/dbraw/zinc/19/93/26/733199326.db2.gz XWBZMKGRWACATI-HNNXBMFYSA-N 0 3 361.511 3.019 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000877728345 736710407 /nfs/dbraw/zinc/71/04/07/736710407.db2.gz CSPDEQWEWSQAPK-OAHLLOKOSA-N 0 3 370.287 3.138 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC23CCSCC3)N(C)C)cc1 ZINC000891247843 739885765 /nfs/dbraw/zinc/88/57/65/739885765.db2.gz KTPZVZCUMPCHGD-MSOLQXFVSA-N 0 3 361.555 3.005 20 10 FGCDHN COc1cc(C)cc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000894562227 742299646 /nfs/dbraw/zinc/29/96/46/742299646.db2.gz FDXXDSJBAMSTBQ-UHFFFAOYSA-N 0 3 369.870 3.056 20 10 FGCDHN C[C@H](NCc1sc(N2CCOCC2)nc1Cl)c1ccccc1O ZINC000895459695 742414710 /nfs/dbraw/zinc/41/47/10/742414710.db2.gz GEVVBIMVUKDYCC-NSHDSACASA-N 0 3 353.875 3.190 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccccc1[O-] ZINC000898720598 742825228 /nfs/dbraw/zinc/82/52/28/742825228.db2.gz MDPNVZNBOPQKEJ-DGCLKSJQSA-N 0 3 350.260 3.407 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000903172980 743816590 /nfs/dbraw/zinc/81/65/90/743816590.db2.gz HTRMVPRZOBMUFW-SFHVURJKSA-N 0 3 362.495 3.025 20 10 FGCDHN CCN1CCN(c2ccc(NC(=O)CSc3nccs3)cc2)CC1 ZINC000916159231 758043824 /nfs/dbraw/zinc/04/38/24/758043824.db2.gz OTPPHVBCUMAMLO-UHFFFAOYSA-N 0 3 362.524 3.016 20 10 FGCDHN C[C@H]1C[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000926909603 759844010 /nfs/dbraw/zinc/84/40/10/759844010.db2.gz YSBINYWDCSYRMO-WFASDCNBSA-N 0 3 363.454 3.315 20 10 FGCDHN Cc1cc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])nn1C ZINC000926912775 759846946 /nfs/dbraw/zinc/84/69/46/759846946.db2.gz YVABCKWGXOBGCD-GFCCVEGCSA-N 0 3 352.276 3.398 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1[O-] ZINC000926935552 759851857 /nfs/dbraw/zinc/85/18/57/759851857.db2.gz JTIARJQXVRGRRI-FMSGJZPZSA-N 0 3 368.271 3.405 20 10 FGCDHN COC1CCN(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779028073 724382601 /nfs/dbraw/zinc/38/26/01/724382601.db2.gz VXIORNMXTQJIID-CYBMUJFWSA-N 0 3 371.319 3.225 20 10 FGCDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779049479 724384242 /nfs/dbraw/zinc/38/42/42/724384242.db2.gz HRNPSCXFKQXGFN-NILFDRSVSA-N 0 3 358.276 3.308 20 10 FGCDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010341 494753038 /nfs/dbraw/zinc/75/30/38/494753038.db2.gz FQJJUQJBEJYRHX-FPOVZHCZSA-N 0 3 368.525 3.356 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000093505244 494896246 /nfs/dbraw/zinc/89/62/46/494896246.db2.gz NNFINZFPVUGZKE-BXUZGUMPSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000093597103 494902734 /nfs/dbraw/zinc/90/27/34/494902734.db2.gz PQGGPOBHOMNOAR-CYBMUJFWSA-N 0 3 369.303 3.081 20 10 FGCDHN CN(C)C(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000182955751 495774616 /nfs/dbraw/zinc/77/46/16/495774616.db2.gz GACZPXVPDQUVFZ-UHFFFAOYSA-N 0 3 368.477 3.271 20 10 FGCDHN Cc1cc(Br)cc(CN2CCC(N3CCCC3=O)CC2)c1O ZINC000180053559 495838878 /nfs/dbraw/zinc/83/88/78/495838878.db2.gz VMVLIGQLNVMDJR-UHFFFAOYSA-N 0 3 367.287 3.050 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190771 495890983 /nfs/dbraw/zinc/89/09/83/495890983.db2.gz ASSASIBSGQDZBR-RDJZCZTQSA-N 0 3 354.450 3.100 20 10 FGCDHN Cc1cc(O)c(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000174276146 495892067 /nfs/dbraw/zinc/89/20/67/495892067.db2.gz CVRXHWUQOOLXQY-UHFFFAOYSA-N 0 3 374.506 3.083 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000174276146 495892073 /nfs/dbraw/zinc/89/20/73/495892073.db2.gz CVRXHWUQOOLXQY-UHFFFAOYSA-N 0 3 374.506 3.083 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1[O-] ZINC000155364747 495934525 /nfs/dbraw/zinc/93/45/25/495934525.db2.gz MQLULFZCPZTGBZ-IBGZPJMESA-N 0 3 374.506 3.418 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1[O-] ZINC000186412184 495988870 /nfs/dbraw/zinc/98/88/70/495988870.db2.gz DCUWFVHIJYPCAT-GOSISDBHSA-N 0 3 360.479 3.173 20 10 FGCDHN COCCN1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000187066424 496277507 /nfs/dbraw/zinc/27/75/07/496277507.db2.gz ASRAUQPFLQWSQP-CYBMUJFWSA-N 0 3 371.319 3.225 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)CC1 ZINC000184284702 496319979 /nfs/dbraw/zinc/31/99/79/496319979.db2.gz WVAKJLXNZYRDLB-UHFFFAOYSA-N 0 3 372.400 3.128 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(CNCc2cccc(C)c2O)cc1 ZINC000181807042 496553628 /nfs/dbraw/zinc/55/36/28/496553628.db2.gz GGJQKIFOAOOAQQ-UHFFFAOYSA-N 0 3 362.495 3.021 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C)c2[O-])cc1 ZINC000181807042 496553631 /nfs/dbraw/zinc/55/36/31/496553631.db2.gz GGJQKIFOAOOAQQ-UHFFFAOYSA-N 0 3 362.495 3.021 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1[O-] ZINC000185109576 496664649 /nfs/dbraw/zinc/66/46/49/496664649.db2.gz CUOCHUGVGZPSOM-QWHCGFSZSA-N 0 3 366.458 3.193 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000277519416 496800435 /nfs/dbraw/zinc/80/04/35/496800435.db2.gz PDHOUPNHBZWBAB-BBRMVZONSA-N 0 3 350.459 3.136 20 10 FGCDHN CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 ZINC000273446628 496807819 /nfs/dbraw/zinc/80/78/19/496807819.db2.gz KFMCLFJXPJTQOX-QGZVFWFLSA-N 0 3 360.546 3.405 20 10 FGCDHN CC[NH+](CC)Cc1cccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278922976 497268504 /nfs/dbraw/zinc/26/85/04/497268504.db2.gz VCCXOEMRKLJECN-UHFFFAOYSA-N 0 3 373.453 3.441 20 10 FGCDHN Cc1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(N3CCNCC3)c(F)c2)s1 ZINC000237666804 497272736 /nfs/dbraw/zinc/27/27/36/497272736.db2.gz LRFMFAWLDZHEDM-JKSUJKDBSA-N 0 3 373.497 3.025 20 10 FGCDHN Cc1noc(CCC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000275326141 497290171 /nfs/dbraw/zinc/29/01/71/497290171.db2.gz LZKLRLWPOVZDKE-JTQLQIEISA-N 0 3 354.248 3.438 20 10 FGCDHN c1csc(NC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000189950761 497304092 /nfs/dbraw/zinc/30/40/92/497304092.db2.gz SYZQAVFNFVAWKL-UHFFFAOYSA-N 0 3 358.511 3.056 20 10 FGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479758 497564625 /nfs/dbraw/zinc/56/46/25/497564625.db2.gz YZWYTGVRWIPOII-XLIONFOSSA-N 0 3 367.493 3.444 20 10 FGCDHN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(C)cc1[O-] ZINC000280022124 497623013 /nfs/dbraw/zinc/62/30/13/497623013.db2.gz HMGRTQCAVCQPOZ-GOSISDBHSA-N 0 3 368.543 3.192 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000296060677 497906663 /nfs/dbraw/zinc/90/66/63/497906663.db2.gz ROSUGOGLJOLMTL-IFXJQAMLSA-N 0 3 366.461 3.388 20 10 FGCDHN O=C(Nc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1)[C@@H]1CCCO1 ZINC000296192980 497950947 /nfs/dbraw/zinc/95/09/47/497950947.db2.gz YRJASTGONKIZSE-MJGOQNOKSA-N 0 3 352.434 3.287 20 10 FGCDHN C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1ccc2c(c1)CCN2C ZINC000364485653 497982978 /nfs/dbraw/zinc/98/29/78/497982978.db2.gz MBHVKXKLSHZXSH-ZDUSSCGKSA-N 0 3 358.873 3.234 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3cc(C)ccc3[O-])CC2)c1 ZINC000296458375 498052202 /nfs/dbraw/zinc/05/22/02/498052202.db2.gz NCBUNCKJPVKQJA-HNNXBMFYSA-N 0 3 357.454 3.472 20 10 FGCDHN C[C@H](N[C@@H]1C[C@H](CO)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000364938624 498218891 /nfs/dbraw/zinc/21/88/91/498218891.db2.gz JRUAFCFIPPGLLJ-AQOAWAETSA-N 0 3 352.478 3.395 20 10 FGCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000285992345 498261080 /nfs/dbraw/zinc/26/10/80/498261080.db2.gz HBVOAYVHHUOFPE-OTWHNJEPSA-N 0 3 350.478 3.340 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1c3ccccc3CC13CCOCC3)OCO2 ZINC000289807878 498301246 /nfs/dbraw/zinc/30/12/46/498301246.db2.gz MTHHRYOQJGITDA-FQEVSTJZSA-N 0 3 353.418 3.305 20 10 FGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1[O-] ZINC000365116965 498303753 /nfs/dbraw/zinc/30/37/53/498303753.db2.gz NHJMXJBQAMYWHW-UHFFFAOYSA-N 0 3 350.806 3.296 20 10 FGCDHN FC(F)(F)Oc1ccc(N2CCC(NCc3cncnc3)CC2)cc1 ZINC000361331339 498375478 /nfs/dbraw/zinc/37/54/78/498375478.db2.gz OCKHVXLWLDWBSI-UHFFFAOYSA-N 0 3 352.360 3.134 20 10 FGCDHN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000282441013 498514319 /nfs/dbraw/zinc/51/43/19/498514319.db2.gz NATUOEHDPPJIKY-RDTXWAMCSA-N 0 3 358.461 3.124 20 10 FGCDHN Cc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000366194147 498817969 /nfs/dbraw/zinc/81/79/69/498817969.db2.gz YWZNPQARGQUELI-FQEVSTJZSA-N 0 3 367.493 3.077 20 10 FGCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(N2CCCNC2=O)cc1 ZINC000291151691 498818382 /nfs/dbraw/zinc/81/83/82/498818382.db2.gz ZMGNJPMGHZTWSI-HNNXBMFYSA-N 0 3 351.450 3.392 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000287706459 498842692 /nfs/dbraw/zinc/84/26/92/498842692.db2.gz XIMVFTJXOXAUJB-LBPRGKRZSA-N 0 3 358.276 3.045 20 10 FGCDHN CN1CC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332267 498877816 /nfs/dbraw/zinc/87/78/16/498877816.db2.gz YWWBJEAIWLFANX-UZLBHIALSA-N 0 3 357.885 3.274 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588618 499150128 /nfs/dbraw/zinc/15/01/28/499150128.db2.gz CGPAUWVGGLODPG-CABCVRRESA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588618 499150130 /nfs/dbraw/zinc/15/01/30/499150130.db2.gz CGPAUWVGGLODPG-CABCVRRESA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588618 499150131 /nfs/dbraw/zinc/15/01/31/499150131.db2.gz CGPAUWVGGLODPG-CABCVRRESA-N 0 3 374.485 3.175 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccncc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000370373334 499214239 /nfs/dbraw/zinc/21/42/39/499214239.db2.gz IPMORLPBEIHGHB-KXBFYZLASA-N 0 3 365.477 3.231 20 10 FGCDHN C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000370499053 499226266 /nfs/dbraw/zinc/22/62/66/499226266.db2.gz KJGAWBHRXNCYMI-QGZVFWFLSA-N 0 3 354.450 3.225 20 10 FGCDHN C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000370499053 499226268 /nfs/dbraw/zinc/22/62/68/499226268.db2.gz KJGAWBHRXNCYMI-QGZVFWFLSA-N 0 3 354.450 3.225 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000368753790 499328138 /nfs/dbraw/zinc/32/81/38/499328138.db2.gz MCMHZWXEPROYHM-RVSPLBMKSA-N 0 3 370.287 3.452 20 10 FGCDHN COc1cc(Br)cc(CN2CCCC23CC[NH+](C)CC3)c1[O-] ZINC000368948522 499349601 /nfs/dbraw/zinc/34/96/01/499349601.db2.gz CSGGRVZFWLKZOG-UHFFFAOYSA-N 0 3 369.303 3.224 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000373185434 499456031 /nfs/dbraw/zinc/45/60/31/499456031.db2.gz IMPUTFXOGRVVJD-FZKQIMNGSA-N 0 3 361.511 3.166 20 10 FGCDHN COCc1nccc([C@@H]2CCC[N@@H+]([C@H](C)c3cc(OC)ccc3[O-])C2)n1 ZINC000373609418 499479716 /nfs/dbraw/zinc/47/97/16/499479716.db2.gz NZXIYBUFECDJRM-HUUCEWRRSA-N 0 3 357.454 3.278 20 10 FGCDHN COCc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3cc(OC)ccc3[O-])C2)n1 ZINC000373609418 499479717 /nfs/dbraw/zinc/47/97/17/499479717.db2.gz NZXIYBUFECDJRM-HUUCEWRRSA-N 0 3 357.454 3.278 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)c3cccs3)CC2)c1O ZINC000378357209 499506440 /nfs/dbraw/zinc/50/64/40/499506440.db2.gz VFNXTCSJCVQGDQ-UHFFFAOYSA-N 0 3 360.479 3.247 20 10 FGCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)cc1C ZINC000378528907 499528705 /nfs/dbraw/zinc/52/87/05/499528705.db2.gz AZBLWVBBJADEJX-IBGZPJMESA-N 0 3 362.477 3.296 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1)c1ccccc1[O-] ZINC000377627501 499712768 /nfs/dbraw/zinc/71/27/68/499712768.db2.gz MJLBGAYBIZQMFY-IXDOHACOSA-N 0 3 358.486 3.436 20 10 FGCDHN CCOc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)c([O-])c1 ZINC000527776217 503938229 /nfs/dbraw/zinc/93/82/29/503938229.db2.gz ZXTOJOAALRPYDP-GOSISDBHSA-N 0 3 356.466 3.164 20 10 FGCDHN CCOCc1cc(CNC[C@H]2c3ccccc3C(=O)N2C)ccc1OC ZINC000527807883 503953560 /nfs/dbraw/zinc/95/35/60/503953560.db2.gz PQHCLFVLDLOSEV-IBGZPJMESA-N 0 3 354.450 3.148 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CN4CCC3CC4)ccc21 ZINC000518432171 503982818 /nfs/dbraw/zinc/98/28/18/503982818.db2.gz MJHCSUUSXKECOQ-NRFANRHFSA-N 0 3 369.509 3.071 20 10 FGCDHN CN1CCCc2cc(C[NH2+][C@H]3CCCc4cc(-c5nnn[n-]5)ccc43)ccc21 ZINC000826033964 608507181 /nfs/dbraw/zinc/50/71/81/608507181.db2.gz MHWWHGYUYSMHCK-FQEVSTJZSA-N 0 3 374.492 3.416 20 10 FGCDHN CN1CCCc2cc(C[NH2+][C@H]3CCCc4cc(-c5nn[n-]n5)ccc43)ccc21 ZINC000826033964 608507183 /nfs/dbraw/zinc/50/71/83/608507183.db2.gz MHWWHGYUYSMHCK-FQEVSTJZSA-N 0 3 374.492 3.416 20 10 FGCDHN c1csc(SCCC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000826527054 608513930 /nfs/dbraw/zinc/51/39/30/608513930.db2.gz XLVHAKUVUGMLPJ-HNNXBMFYSA-N 0 3 372.523 3.473 20 10 FGCDHN c1csc(SCCC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC000826527054 608513931 /nfs/dbraw/zinc/51/39/31/608513931.db2.gz XLVHAKUVUGMLPJ-HNNXBMFYSA-N 0 3 372.523 3.473 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824618663 609138476 /nfs/dbraw/zinc/13/84/76/609138476.db2.gz QQJQUYJSJOPFPO-ZDUSSCGKSA-N 0 3 366.444 3.239 20 10 FGCDHN CCCn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000116917779 700597957 /nfs/dbraw/zinc/59/79/57/700597957.db2.gz SEUGFGUSRSHEBV-SFHVURJKSA-N 0 3 362.905 3.406 20 10 FGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000179562182 705705484 /nfs/dbraw/zinc/70/54/84/705705484.db2.gz WECYXTJTPOBANN-AWEZNQCLSA-N 0 3 355.356 3.283 20 10 FGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000179562182 705705489 /nfs/dbraw/zinc/70/54/89/705705489.db2.gz WECYXTJTPOBANN-AWEZNQCLSA-N 0 3 355.356 3.283 20 10 FGCDHN CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000180476250 705742043 /nfs/dbraw/zinc/74/20/43/705742043.db2.gz JGLMPTNHRSKLNH-QGZVFWFLSA-N 0 3 367.559 3.045 20 10 FGCDHN CCOc1ccc(O)c(CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000749924364 722748153 /nfs/dbraw/zinc/74/81/53/722748153.db2.gz PYKPXYXJHPMMDW-KRWDZBQOSA-N 0 3 360.841 3.339 20 10 FGCDHN COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000740856908 722538510 /nfs/dbraw/zinc/53/85/10/722538510.db2.gz XNSOIAYVMJGWIV-CQSZACIVSA-N 0 3 361.463 3.035 20 10 FGCDHN COC(=O)C[C@@H]1CSCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000740856908 722538511 /nfs/dbraw/zinc/53/85/11/722538511.db2.gz XNSOIAYVMJGWIV-CQSZACIVSA-N 0 3 361.463 3.035 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[O-] ZINC000742377604 722556603 /nfs/dbraw/zinc/55/66/03/722556603.db2.gz WFMCROVSKTUYOT-WQVCFCJDSA-N 0 3 370.287 3.457 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C2(CCO)CCCCC2)c1[O-] ZINC000751152653 722796587 /nfs/dbraw/zinc/79/65/87/722796587.db2.gz LJAZTMJZKJZNFO-UHFFFAOYSA-N 0 3 358.276 3.338 20 10 FGCDHN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000753731325 722910886 /nfs/dbraw/zinc/91/08/86/722910886.db2.gz NBSPJBIIZYIZEK-VQIMIIECSA-N 0 3 350.528 3.295 20 10 FGCDHN C[C@@H](NCCS(=O)(=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756460407 722965045 /nfs/dbraw/zinc/96/50/45/722965045.db2.gz ZTQFOXRJHRVYCC-OAHLLOKOSA-N 0 3 359.491 3.396 20 10 FGCDHN CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(C)cc1[O-] ZINC000794816714 723547716 /nfs/dbraw/zinc/54/77/16/723547716.db2.gz OGSRKFZMDBNPKY-OAHLLOKOSA-N 0 3 368.524 3.124 20 10 FGCDHN Cc1ccc(O)c(CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000769387143 723683938 /nfs/dbraw/zinc/68/39/38/723683938.db2.gz JBOYAMKZDKPXLN-IBGZPJMESA-N 0 3 360.885 3.205 20 10 FGCDHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])CCN1c1cccc(Br)c1 ZINC000775034267 723954523 /nfs/dbraw/zinc/95/45/23/723954523.db2.gz PGHDSZPILIQUDZ-HNNXBMFYSA-N 0 3 361.239 3.050 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2cc3c(C)nn(C)c3nc2Cl)c1 ZINC000775371930 723986045 /nfs/dbraw/zinc/98/60/45/723986045.db2.gz VOCOPXIMWWIBKR-SNVBAGLBSA-N 0 3 360.845 3.495 20 10 FGCDHN CN1CCN(c2ccc(CN3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000775726745 724031887 /nfs/dbraw/zinc/03/18/87/724031887.db2.gz YQNNTEQURVURAR-FQEVSTJZSA-N 0 3 357.523 3.073 20 10 FGCDHN C[C@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000775832092 724068870 /nfs/dbraw/zinc/06/88/70/724068870.db2.gz XOHAKJKAAMKXTF-ZFWWWQNUSA-N 0 3 357.420 3.204 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000808718749 725214687 /nfs/dbraw/zinc/21/46/87/725214687.db2.gz QVQUGBSMPMNXLB-SMDDNHRTSA-N 0 3 366.811 3.268 20 10 FGCDHN CC[C@@H]([NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000809663666 725257455 /nfs/dbraw/zinc/25/74/55/725257455.db2.gz SPPOQHLVMOMMOT-MAUKXSAKSA-N 0 3 362.495 3.190 20 10 FGCDHN Cc1cc(Cl)cc(CNCc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000809783423 725268385 /nfs/dbraw/zinc/26/83/85/725268385.db2.gz CDLBSNKEZOTIIT-CQSZACIVSA-N 0 3 362.857 3.454 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC000814176956 726945070 /nfs/dbraw/zinc/94/50/70/726945070.db2.gz WEXLVDJXEQSAAU-XJKSGUPXSA-N 0 3 350.434 3.363 20 10 FGCDHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC000814176956 726945073 /nfs/dbraw/zinc/94/50/73/726945073.db2.gz WEXLVDJXEQSAAU-XJKSGUPXSA-N 0 3 350.434 3.363 20 10 FGCDHN O=S(=O)(CCCNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000815166924 727047648 /nfs/dbraw/zinc/04/76/48/727047648.db2.gz XVTJKFMQHCRHLE-UHFFFAOYSA-N 0 3 365.882 3.229 20 10 FGCDHN CCCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1=O ZINC000817589867 727268935 /nfs/dbraw/zinc/26/89/35/727268935.db2.gz QORODCSUUQZFMD-OLZOCXBDSA-N 0 3 369.303 3.372 20 10 FGCDHN C[C@](CO)(NCc1cc2c(cc1O)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000825129951 729372067 /nfs/dbraw/zinc/37/20/67/729372067.db2.gz IPSBSCOKZRDHOG-QGZVFWFLSA-N 0 3 370.232 3.425 20 10 FGCDHN Cc1cc([O-])c(C[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1Cl ZINC000825126015 729372092 /nfs/dbraw/zinc/37/20/92/729372092.db2.gz NSORELNCNYZZNU-UHFFFAOYSA-N 0 3 360.885 3.476 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CC2(O)CCC(F)(F)CC2)c1[O-] ZINC000827648590 729432852 /nfs/dbraw/zinc/43/28/52/729432852.db2.gz BKFCYAPHZSAYQB-UHFFFAOYSA-N 0 3 364.230 3.493 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1[O-] ZINC000827837180 729435717 /nfs/dbraw/zinc/43/57/17/729435717.db2.gz AYUFKDCFELRGTM-ZDUSSCGKSA-N 0 3 361.747 3.295 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000834798454 729834932 /nfs/dbraw/zinc/83/49/32/729834932.db2.gz GIGCYQWHIIJXLH-WZRBSPASSA-N 0 3 360.483 3.046 20 10 FGCDHN COc1cc(Cl)cc(CN[C@H]2CCN(c3ccc(F)cc3)C2=O)c1O ZINC000840967110 730198700 /nfs/dbraw/zinc/19/87/00/730198700.db2.gz LFHZTBQJQZOHDK-HNNXBMFYSA-N 0 3 364.804 3.088 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)c1[O-] ZINC000840967110 730198701 /nfs/dbraw/zinc/19/87/01/730198701.db2.gz LFHZTBQJQZOHDK-HNNXBMFYSA-N 0 3 364.804 3.088 20 10 FGCDHN COc1cc(Br)c(CNCCc2ccc(N)cc2)cc1OC ZINC000841036374 730205120 /nfs/dbraw/zinc/20/51/20/730205120.db2.gz MCWGFUWSYQZADA-UHFFFAOYSA-N 0 3 365.271 3.381 20 10 FGCDHN CN(C)c1ccc([C@H]([NH3+])CNCc2cccc([O-])c2Br)cc1 ZINC000841042038 730205473 /nfs/dbraw/zinc/20/54/73/730205473.db2.gz JMXLCUUSNQPOGV-OAHLLOKOSA-N 0 3 364.287 3.010 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCc2c[nH]nc2C)c1[O-] ZINC000848520580 731174838 /nfs/dbraw/zinc/17/48/38/731174838.db2.gz ZPYFWJVQBHZTDS-NSHDSACASA-N 0 3 368.275 3.478 20 10 FGCDHN COc1cc(Br)cc([C@H](C)NCc2n[nH]c(C(C)C)n2)c1O ZINC000848553288 731180494 /nfs/dbraw/zinc/18/04/94/731180494.db2.gz JLVWKBYTTGGVIS-VIFPVBQESA-N 0 3 369.263 3.256 20 10 FGCDHN CCCN(CCC)c1ccc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1 ZINC000850368957 731349066 /nfs/dbraw/zinc/34/90/66/731349066.db2.gz QFWAUGGTCRUOTQ-WMZOPIPTSA-N 0 3 352.544 3.368 20 10 FGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850435011 731357039 /nfs/dbraw/zinc/35/70/39/731357039.db2.gz FWQIFHBICNGKBK-IRXDYDNUSA-N 0 3 350.890 3.311 20 10 FGCDHN CCN1CCN(c2ccc(CNCc3ccncc3Cl)cc2F)CC1 ZINC000858130865 732183579 /nfs/dbraw/zinc/18/35/79/732183579.db2.gz BOMLVMMYWRYQRL-UHFFFAOYSA-N 0 3 362.880 3.306 20 10 FGCDHN C[C@H](NCCN(C)CC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000858596371 732229947 /nfs/dbraw/zinc/22/99/47/732229947.db2.gz DXIRBYZIIJLWOJ-ZDUSSCGKSA-N 0 3 361.864 3.024 20 10 FGCDHN C[NH+](C)CCN(Cc1ccco1)Cc1c([O-])cccc1Br ZINC000862367682 732817449 /nfs/dbraw/zinc/81/74/49/732817449.db2.gz RFWSORAVIGARIU-UHFFFAOYSA-N 0 3 353.260 3.312 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1[O-] ZINC000866447211 733350865 /nfs/dbraw/zinc/35/08/65/733350865.db2.gz WWUXIDUACDKVCA-NUMVPEFSSA-N 0 3 368.271 3.237 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC23CCSCC3)N(C)C)cc1 ZINC000891247849 739885754 /nfs/dbraw/zinc/88/57/54/739885754.db2.gz KTPZVZCUMPCHGD-ZWKOTPCHSA-N 0 3 361.555 3.005 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCCC2(F)F)N(C)C)cc1 ZINC000891243154 739885930 /nfs/dbraw/zinc/88/59/30/739885930.db2.gz JPELBYCAMNFNBE-NVXWUHKLSA-N 0 3 353.457 3.297 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)C2CCC(F)(F)CC2)N(C)C)cc1 ZINC000891247415 739885982 /nfs/dbraw/zinc/88/59/82/739885982.db2.gz HBNNTQRSIGKZNU-KRWDZBQOSA-N 0 3 353.457 3.297 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000896920505 742615797 /nfs/dbraw/zinc/61/57/97/742615797.db2.gz IRDCTVYBWNBFLY-OAHLLOKOSA-N 0 3 370.287 3.281 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c([O-])c1 ZINC000903425345 743849071 /nfs/dbraw/zinc/84/90/71/743849071.db2.gz BAVIYSZKCMLYGY-CQSZACIVSA-N 0 3 360.479 3.456 20 10 FGCDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)cn1 ZINC000925160659 759456809 /nfs/dbraw/zinc/45/68/09/759456809.db2.gz MLRRFHLOCLUNML-UONOGXRCSA-N 0 3 350.413 3.341 20 10 FGCDHN COc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1O ZINC000073415642 494368588 /nfs/dbraw/zinc/36/85/88/494368588.db2.gz RCHNTDMUAKGTCB-SFHVURJKSA-N 0 3 369.465 3.037 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(CO)c1 ZINC000121412795 494743812 /nfs/dbraw/zinc/74/38/12/494743812.db2.gz SHPJOAFANYEZFZ-QGZVFWFLSA-N 0 3 354.494 3.238 20 10 FGCDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010339 494753483 /nfs/dbraw/zinc/75/34/83/494753483.db2.gz FQJJUQJBEJYRHX-PZJWPPBQSA-N 0 3 368.525 3.356 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839149 495598972 /nfs/dbraw/zinc/59/89/72/495598972.db2.gz QAQGIHLCQYGUJM-HNNXBMFYSA-N 0 3 370.449 3.260 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839149 495598974 /nfs/dbraw/zinc/59/89/74/495598974.db2.gz QAQGIHLCQYGUJM-HNNXBMFYSA-N 0 3 370.449 3.260 20 10 FGCDHN COc1cc(O)c(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839149 495598982 /nfs/dbraw/zinc/59/89/82/495598982.db2.gz QAQGIHLCQYGUJM-HNNXBMFYSA-N 0 3 370.449 3.260 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1OC ZINC000155073176 495825326 /nfs/dbraw/zinc/82/53/26/495825326.db2.gz CAVNHQDYCUJXKI-SFHVURJKSA-N 0 3 351.830 3.060 20 10 FGCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000183477098 496000356 /nfs/dbraw/zinc/00/03/56/496000356.db2.gz DQISPHYXLHVDQV-HNNXBMFYSA-N 0 3 354.450 3.055 20 10 FGCDHN CCOc1cccc(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000152751361 496245349 /nfs/dbraw/zinc/24/53/49/496245349.db2.gz JQBMHQDPUYCSRY-HNNXBMFYSA-N 0 3 363.479 3.051 20 10 FGCDHN CC(=O)NCC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000273469987 496814997 /nfs/dbraw/zinc/81/49/97/496814997.db2.gz JKRQUDYRYZKNRC-UHFFFAOYSA-N 0 3 368.477 3.319 20 10 FGCDHN O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCN1CC(F)(F)F ZINC000264793314 496985745 /nfs/dbraw/zinc/98/57/45/496985745.db2.gz BBRSNNGCZMTZBP-INIZCTEOSA-N 0 3 364.367 3.312 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1[O-] ZINC000271195152 497286452 /nfs/dbraw/zinc/28/64/52/497286452.db2.gz UIXRXPIUXOCYKH-UHFFFAOYSA-N 0 3 370.449 3.347 20 10 FGCDHN COc1cc([O-])c(C[NH2+]CCc2nc(-c3ccncc3)cs2)cc1OC ZINC000271876871 497477028 /nfs/dbraw/zinc/47/70/28/497477028.db2.gz ZLPBWPMPFYHSAL-UHFFFAOYSA-N 0 3 371.462 3.260 20 10 FGCDHN COC1CCN(c2ccc(CN3C[C@@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000295941911 497863449 /nfs/dbraw/zinc/86/34/49/497863449.db2.gz HZCVOVYFHPIRIM-GOSISDBHSA-N 0 3 374.525 3.072 20 10 FGCDHN CCOC(=O)CC1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296633322 498130721 /nfs/dbraw/zinc/13/07/21/498130721.db2.gz VVGRXDJUWXPADJ-UHFFFAOYSA-N 0 3 374.525 3.467 20 10 FGCDHN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1O ZINC000289489989 498167143 /nfs/dbraw/zinc/16/71/43/498167143.db2.gz RMKSRRVGKOSHKX-AWEZNQCLSA-N 0 3 365.857 3.009 20 10 FGCDHN COc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000289519436 498176564 /nfs/dbraw/zinc/17/65/64/498176564.db2.gz VFTMNNCRZFIETM-IBGZPJMESA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(O)c(CN2CCC(n3cc(Cl)cn3)CC2)cc1OC ZINC000365038013 498266942 /nfs/dbraw/zinc/26/69/42/498266942.db2.gz IZINRNRAZFQCHO-UHFFFAOYSA-N 0 3 351.834 3.096 20 10 FGCDHN COc1cccc(CC(=O)N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)c1 ZINC000360699543 498300197 /nfs/dbraw/zinc/30/01/97/498300197.db2.gz PIMOKMSMHCPJPZ-MRXNPFEDSA-N 0 3 368.477 3.285 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000293540946 498407619 /nfs/dbraw/zinc/40/76/19/498407619.db2.gz GATKRTYTCPCGEP-SJORKVTESA-N 0 3 356.869 3.042 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000293540946 498407625 /nfs/dbraw/zinc/40/76/25/498407625.db2.gz GATKRTYTCPCGEP-SJORKVTESA-N 0 3 356.869 3.042 20 10 FGCDHN COc1cc(Br)cc(CN2CCC(c3cn[nH]c3)CC2)c1O ZINC000362624801 498527399 /nfs/dbraw/zinc/52/73/99/498527399.db2.gz YRBAFHLJUGVWMQ-UHFFFAOYSA-N 0 3 366.259 3.266 20 10 FGCDHN CCOCc1cc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1OC ZINC000365669181 498588716 /nfs/dbraw/zinc/58/87/16/498588716.db2.gz SDMGUBTWOJYXJP-UXHICEINSA-N 0 3 363.498 3.032 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)NCCN3CCC[C@H](C)C3)ccc21 ZINC000303203361 498654028 /nfs/dbraw/zinc/65/40/28/498654028.db2.gz OWVAUBYVMVOWIP-INIZCTEOSA-N 0 3 371.525 3.366 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)NCCN3CCC[C@@H](C)C3)ccc21 ZINC000303203364 498654651 /nfs/dbraw/zinc/65/46/51/498654651.db2.gz OWVAUBYVMVOWIP-MRXNPFEDSA-N 0 3 371.525 3.366 20 10 FGCDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000287229341 498681202 /nfs/dbraw/zinc/68/12/02/498681202.db2.gz YCROLFGBOYXCNB-SJORKVTESA-N 0 3 350.528 3.152 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c([O-])c1 ZINC000363176236 498688452 /nfs/dbraw/zinc/68/84/52/498688452.db2.gz GZDJDGMXUMPKLH-UTKZUKDTSA-N 0 3 372.513 3.087 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1OC ZINC000291095790 498793191 /nfs/dbraw/zinc/79/31/91/498793191.db2.gz YXDDTKYPDYZYIF-AWEZNQCLSA-N 0 3 360.429 3.165 20 10 FGCDHN COc1cc(O)c(CN(C)[C@@H](CO)c2ccc(Cl)cc2)cc1OC ZINC000295137136 498922696 /nfs/dbraw/zinc/92/26/96/498922696.db2.gz YXLDCPXYBBMZDT-HNNXBMFYSA-N 0 3 351.830 3.228 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000363768213 498984217 /nfs/dbraw/zinc/98/42/17/498984217.db2.gz MTSMPAAXHVVRPK-CQSZACIVSA-N 0 3 352.438 3.384 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000363859472 499028532 /nfs/dbraw/zinc/02/85/32/499028532.db2.gz SJWWOYVPOXVNOF-HOCLYGCPSA-N 0 3 356.470 3.276 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)c2cccnc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000363868296 499031843 /nfs/dbraw/zinc/03/18/43/499031843.db2.gz RJBQTKINVQMKIT-KXBFYZLASA-N 0 3 365.477 3.231 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598006 499151406 /nfs/dbraw/zinc/15/14/06/499151406.db2.gz FCUVBDYVKKRPEZ-JSGCOSHPSA-N 0 3 358.442 3.023 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598006 499151408 /nfs/dbraw/zinc/15/14/08/499151408.db2.gz FCUVBDYVKKRPEZ-JSGCOSHPSA-N 0 3 358.442 3.023 20 10 FGCDHN CN(C)c1ccc(CN2CCC(C(=O)Nc3ccccn3)CC2)cc1F ZINC000367221477 499163659 /nfs/dbraw/zinc/16/36/59/499163659.db2.gz LIWAZPJROKOCOD-UHFFFAOYSA-N 0 3 356.445 3.137 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000372925828 499195287 /nfs/dbraw/zinc/19/52/87/499195287.db2.gz KTCBMYSAVHAZAN-LJQANCHMSA-N 0 3 374.506 3.286 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(NC(=O)c3cc(C)on3)CC2)cc1 ZINC000371415292 499323694 /nfs/dbraw/zinc/32/36/94/499323694.db2.gz BQSOWIUZQBBRLG-UHFFFAOYSA-N 0 3 370.497 3.224 20 10 FGCDHN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCN3C)cc1NC(C)=O ZINC000368726624 499325574 /nfs/dbraw/zinc/32/55/74/499325574.db2.gz GVUAXIFXNBIQCE-CQSZACIVSA-N 0 3 353.466 3.497 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c([O-])c1 ZINC000369424798 499402073 /nfs/dbraw/zinc/40/20/73/499402073.db2.gz IPCISXGHTLGNSA-INIZCTEOSA-N 0 3 371.481 3.497 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c([O-])c1 ZINC000369424798 499402074 /nfs/dbraw/zinc/40/20/74/499402074.db2.gz IPCISXGHTLGNSA-INIZCTEOSA-N 0 3 371.481 3.497 20 10 FGCDHN [O-]c1ccccc1C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000378494207 499524240 /nfs/dbraw/zinc/52/42/40/499524240.db2.gz KJVWBSSRRUPZKX-QGZVFWFLSA-N 0 3 352.482 3.480 20 10 FGCDHN COc1cccc([C@H]2C[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2(C)C)c1 ZINC000530101548 503837402 /nfs/dbraw/zinc/83/74/02/503837402.db2.gz IQGHGJXXWOAIPH-UYAOXDASSA-N 0 3 369.461 3.452 20 10 FGCDHN COc1cccc([C@H]2C[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2(C)C)c1 ZINC000530101548 503837408 /nfs/dbraw/zinc/83/74/08/503837408.db2.gz IQGHGJXXWOAIPH-UYAOXDASSA-N 0 3 369.461 3.452 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3oc(C)cc3C)CC2)c1 ZINC000527586494 503843346 /nfs/dbraw/zinc/84/33/46/503843346.db2.gz GPDAFSYSDZLOJH-UHFFFAOYSA-N 0 3 372.465 3.395 20 10 FGCDHN COc1ccc(CC[NH2+]Cc2cc(Br)cc(C)c2[O-])cn1 ZINC000529662389 504754351 /nfs/dbraw/zinc/75/43/51/504754351.db2.gz QEMFMOJKCNCGNB-UHFFFAOYSA-N 0 3 351.244 3.199 20 10 FGCDHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092665217 700439405 /nfs/dbraw/zinc/43/94/05/700439405.db2.gz OLFPFJREXSLKLW-HOTGVXAUSA-N 0 3 351.922 3.036 20 10 FGCDHN COc1cc(Br)cc(CN(CCO)Cc2ccccc2)c1O ZINC000158294936 705180687 /nfs/dbraw/zinc/18/06/87/705180687.db2.gz QVYNTINAORPVMQ-UHFFFAOYSA-N 0 3 366.255 3.158 20 10 FGCDHN Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2[O-])c(C)s1 ZINC000186141560 712710485 /nfs/dbraw/zinc/71/04/85/712710485.db2.gz WKEWXUQOWIJCFJ-CYBMUJFWSA-N 0 3 368.524 3.008 20 10 FGCDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000189287845 712790970 /nfs/dbraw/zinc/79/09/70/712790970.db2.gz XWALWDHJAFAWGG-OAHLLOKOSA-N 0 3 360.479 3.125 20 10 FGCDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000189287845 712790973 /nfs/dbraw/zinc/79/09/73/712790973.db2.gz XWALWDHJAFAWGG-OAHLLOKOSA-N 0 3 360.479 3.125 20 10 FGCDHN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356527 712858149 /nfs/dbraw/zinc/85/81/49/712858149.db2.gz QBYQVKLKKHIHDA-LJQANCHMSA-N 0 3 360.885 3.426 20 10 FGCDHN C[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C[C@H]1n1ccnc1 ZINC000246893610 713632301 /nfs/dbraw/zinc/63/23/01/713632301.db2.gz UDGPHXLTGYGNNT-SWLSCSKDSA-N 0 3 350.260 3.434 20 10 FGCDHN C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C[C@H]1n1ccnc1 ZINC000246893610 713632303 /nfs/dbraw/zinc/63/23/03/713632303.db2.gz UDGPHXLTGYGNNT-SWLSCSKDSA-N 0 3 350.260 3.434 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])s1 ZINC000797139876 723785996 /nfs/dbraw/zinc/78/59/96/723785996.db2.gz JWXYSMZZZXXDOW-GMTAPVOTSA-N 0 3 366.462 3.259 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000731450157 722475421 /nfs/dbraw/zinc/47/54/21/722475421.db2.gz ITLPMDKLVCZQNX-HNNXBMFYSA-N 0 3 357.328 3.123 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CCCc2nccs2)c1[O-] ZINC000736642405 722523986 /nfs/dbraw/zinc/52/39/86/722523986.db2.gz YMGIPVPQPZYOHY-UHFFFAOYSA-N 0 3 357.273 3.342 20 10 FGCDHN COc1ccc(C[NH2+]Cc2cccc(I)c2)c([O-])c1 ZINC000793591820 723451993 /nfs/dbraw/zinc/45/19/93/723451993.db2.gz QZFQDAMWUOOBDN-UHFFFAOYSA-N 0 3 369.202 3.295 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1[O-] ZINC000766225431 723562816 /nfs/dbraw/zinc/56/28/16/723562816.db2.gz PXJVPSRZOHKOFG-HNNXBMFYSA-N 0 3 369.303 3.270 20 10 FGCDHN CCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000796522075 723641425 /nfs/dbraw/zinc/64/14/25/723641425.db2.gz KWCPZIFIUGGAOG-AWEZNQCLSA-N 0 3 357.292 3.127 20 10 FGCDHN C[C@@H]1SCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768445209 723657906 /nfs/dbraw/zinc/65/79/06/723657906.db2.gz GKWFBARQYRDRLQ-YHJVDBJQSA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768445209 723657908 /nfs/dbraw/zinc/65/79/08/723657908.db2.gz GKWFBARQYRDRLQ-YHJVDBJQSA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]1SCCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768445209 723657909 /nfs/dbraw/zinc/65/79/09/723657909.db2.gz GKWFBARQYRDRLQ-YHJVDBJQSA-N 0 3 357.475 3.497 20 10 FGCDHN CC[C@H](NCc1ccc(N(C)CC)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000773809372 723826000 /nfs/dbraw/zinc/82/60/00/723826000.db2.gz CDMCRKJTESPRDI-IBGZPJMESA-N 0 3 361.511 3.031 20 10 FGCDHN COc1c([O-])c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] ZINC000775035222 723954921 /nfs/dbraw/zinc/95/49/21/723954921.db2.gz XURGMYYCSIOGDS-UHFFFAOYSA-N 0 3 367.745 3.160 20 10 FGCDHN [O-]c1c(F)cc(Cl)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000775725517 724031316 /nfs/dbraw/zinc/03/13/16/724031316.db2.gz PLUZSNXWGSCZBK-UHFFFAOYSA-N 0 3 356.869 3.262 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H](O)C(F)(F)F ZINC000776252934 724124176 /nfs/dbraw/zinc/12/41/76/724124176.db2.gz GOLNVAAGZSKXHG-PWSUYJOCSA-N 0 3 356.182 3.255 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC2([C@H](C)CCO)CCC2)c1[O-] ZINC000776257375 724124363 /nfs/dbraw/zinc/12/43/63/724124363.db2.gz MHICMPGBANTPBJ-GFCCVEGCSA-N 0 3 372.303 3.442 20 10 FGCDHN CCOc1cccc(CN2CCCC[C@@H]2COC(=O)N(C)CC)c1O ZINC000809723012 725262565 /nfs/dbraw/zinc/26/25/65/725262565.db2.gz OWOJYACQSHWVFH-MRXNPFEDSA-N 0 3 350.459 3.234 20 10 FGCDHN Cc1nnc(CCN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000810243177 725299244 /nfs/dbraw/zinc/29/92/44/725299244.db2.gz MGTNFHSQYDJEAS-LBPRGKRZSA-N 0 3 366.918 3.230 20 10 FGCDHN O=S1(=O)CC(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000815619443 727086834 /nfs/dbraw/zinc/08/68/34/727086834.db2.gz NKKBTPXPDKDSDL-LJQANCHMSA-N 0 3 359.491 3.090 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000818218805 727302139 /nfs/dbraw/zinc/30/21/39/727302139.db2.gz QRKQYPBCANUSMD-HOTGVXAUSA-N 0 3 350.459 3.182 20 10 FGCDHN CN(CCN1CCCC1=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823447454 729281240 /nfs/dbraw/zinc/28/12/40/729281240.db2.gz IPUWIXOHUYJMCW-UHFFFAOYSA-N 0 3 357.523 3.439 20 10 FGCDHN [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000841103284 730211749 /nfs/dbraw/zinc/21/17/49/730211749.db2.gz FWMIUHMEJABLOU-HOCLYGCPSA-N 0 3 359.297 3.417 20 10 FGCDHN C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC000841756162 730271059 /nfs/dbraw/zinc/27/10/59/730271059.db2.gz UMBDVFPJLSISAY-MGPUTAFESA-N 0 3 360.885 3.333 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC[C@H]2C)c1[O-] ZINC000848530576 731176462 /nfs/dbraw/zinc/17/64/62/731176462.db2.gz BOKJMENFVABZJF-NEPJUHHUSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)c1[O-] ZINC000848534143 731176650 /nfs/dbraw/zinc/17/66/50/731176650.db2.gz YAPUYQKTHRQPMY-AAEUAGOBSA-N 0 3 374.275 3.010 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858244699 732196349 /nfs/dbraw/zinc/19/63/49/732196349.db2.gz FCCHAHYOORVEQN-MRXNPFEDSA-N 0 3 362.857 3.049 20 10 FGCDHN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000858473869 732218262 /nfs/dbraw/zinc/21/82/62/732218262.db2.gz RFAPKTXMEMIDGY-GXFFZTMASA-N 0 3 354.244 3.376 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1[O-] ZINC000872112891 735590422 /nfs/dbraw/zinc/59/04/22/735590422.db2.gz LPPREFAYJVCDIY-QWRGUYRKSA-N 0 3 372.259 3.157 20 10 FGCDHN Fc1cc(CNC[C@@H]2CC2(Cl)Cl)cc(F)c1N1CCOCC1 ZINC000877582162 736688412 /nfs/dbraw/zinc/68/84/12/736688412.db2.gz LELOSFUDVSBLGI-NSHDSACASA-N 0 3 351.224 3.085 20 10 FGCDHN COc1cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000895837301 742460295 /nfs/dbraw/zinc/46/02/95/742460295.db2.gz KWLZGNBKOUMFNL-QGZVFWFLSA-N 0 3 361.404 3.445 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1[O-] ZINC000779038103 724383534 /nfs/dbraw/zinc/38/35/34/724383534.db2.gz IPCXABCUMWQKFI-WPRPVWTQSA-N 0 3 356.182 3.427 20 10 FGCDHN CC(C)N(C)CC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000063583306 494066039 /nfs/dbraw/zinc/06/60/39/494066039.db2.gz WHAIOASHMFZBQX-UHFFFAOYSA-N 0 3 373.419 3.010 20 10 FGCDHN CCc1nsc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000091676399 494642046 /nfs/dbraw/zinc/64/20/46/494642046.db2.gz GCPMWZBSRXUUDR-UHFFFAOYSA-N 0 3 357.527 3.245 20 10 FGCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000092811152 494756403 /nfs/dbraw/zinc/75/64/03/494756403.db2.gz LKHHPWNYROWURB-UHFFFAOYSA-N 0 3 351.450 3.114 20 10 FGCDHN Oc1cc2c(cc1CN1CCC([C@H](O)c3ccc(F)cc3)CC1)OCO2 ZINC000118962772 495059451 /nfs/dbraw/zinc/05/94/51/495059451.db2.gz UECOUYNQIOMJQL-HXUWFJFHSA-N 0 3 359.397 3.206 20 10 FGCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000179657157 495680375 /nfs/dbraw/zinc/68/03/75/495680375.db2.gz QZNYBZHUEWWNTR-OAHLLOKOSA-N 0 3 356.470 3.098 20 10 FGCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000179657157 495680378 /nfs/dbraw/zinc/68/03/78/495680378.db2.gz QZNYBZHUEWWNTR-OAHLLOKOSA-N 0 3 356.470 3.098 20 10 FGCDHN CC[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151249719 495783889 /nfs/dbraw/zinc/78/38/89/495783889.db2.gz GDDAATLWQXNQQG-HXUWFJFHSA-N 0 3 354.498 3.225 20 10 FGCDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1OC ZINC000155073071 495824995 /nfs/dbraw/zinc/82/49/95/495824995.db2.gz CAVNHQDYCUJXKI-GOSISDBHSA-N 0 3 351.830 3.060 20 10 FGCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])CC2 ZINC000187146788 496312973 /nfs/dbraw/zinc/31/29/73/496312973.db2.gz QAJMOFWVDJIMQT-MFKMUULPSA-N 0 3 365.275 3.029 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000184965314 496603325 /nfs/dbraw/zinc/60/33/25/496603325.db2.gz FBETULJFFJFFQL-QGZVFWFLSA-N 0 3 367.493 3.454 20 10 FGCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000165176904 496651422 /nfs/dbraw/zinc/65/14/22/496651422.db2.gz IIVQJTOTCUDIGZ-FQEVSTJZSA-N 0 3 356.441 3.448 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000185131725 496673731 /nfs/dbraw/zinc/67/37/31/496673731.db2.gz HTOZGTLCEYBKIN-XOBRGWDASA-N 0 3 370.449 3.369 20 10 FGCDHN Cc1ccc(O)c([C@@H](C)NCc2ccccc2OCCN2CCOCC2)c1 ZINC000185197558 496700628 /nfs/dbraw/zinc/70/06/28/496700628.db2.gz TUHOQQPHBJVWRZ-GOSISDBHSA-N 0 3 370.493 3.262 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185278532 496723521 /nfs/dbraw/zinc/72/35/21/496723521.db2.gz OACBFESUJWNQPB-INIZCTEOSA-N 0 3 372.488 3.364 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273355809 496781777 /nfs/dbraw/zinc/78/17/77/496781777.db2.gz CQOLYMUDEMKHMK-IWMITWMQSA-N 0 3 358.526 3.299 20 10 FGCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000273566881 496842863 /nfs/dbraw/zinc/84/28/63/496842863.db2.gz JVHSBVJPTUSOFG-QGZVFWFLSA-N 0 3 367.493 3.220 20 10 FGCDHN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273610342 496853030 /nfs/dbraw/zinc/85/30/30/496853030.db2.gz VOGJJWPXZAYAQH-LSDHHAIUSA-N 0 3 362.495 3.329 20 10 FGCDHN CCOc1cccc(CNCc2ccnc(OC3CCOCC3)c2)c1O ZINC000264970635 497022588 /nfs/dbraw/zinc/02/25/88/497022588.db2.gz QVKGDDLNAZIFTO-UHFFFAOYSA-N 0 3 358.438 3.034 20 10 FGCDHN C[C@H](NCc1cccc(N2CCOCC2)n1)c1cc2c(cc1O)CCCC2 ZINC000274811098 497171483 /nfs/dbraw/zinc/17/14/83/497171483.db2.gz UZVUTDQMYMULAC-INIZCTEOSA-N 0 3 367.493 3.353 20 10 FGCDHN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000280890589 497937213 /nfs/dbraw/zinc/93/72/13/497937213.db2.gz FBXZKEYTWYLHLH-TZMCWYRMSA-N 0 3 369.303 3.372 20 10 FGCDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000289855362 498324706 /nfs/dbraw/zinc/32/47/06/498324706.db2.gz BKPOMWSIRWREDE-CKJXQJPGSA-N 0 3 358.457 3.435 20 10 FGCDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccn1C ZINC000362259103 498483365 /nfs/dbraw/zinc/48/33/65/498483365.db2.gz TUXPGKZBJBBCDH-CYBMUJFWSA-N 0 3 350.413 3.341 20 10 FGCDHN C[C@H]1CN(c2ccc(CNCc3c[nH]c4nccnc34)cc2F)C[C@H](C)O1 ZINC000290829057 498692761 /nfs/dbraw/zinc/69/27/61/498692761.db2.gz HUHIZQNLFKNASX-KBPBESRZSA-N 0 3 369.444 3.000 20 10 FGCDHN CC(C)(C)NS(=O)(=O)c1ccccc1CN[C@@H]1CCc2cccc(O)c21 ZINC000295776094 499099846 /nfs/dbraw/zinc/09/98/46/499099846.db2.gz AQJOBXUHZLOOEW-MRXNPFEDSA-N 0 3 374.506 3.246 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598004 499151615 /nfs/dbraw/zinc/15/16/15/499151615.db2.gz FCUVBDYVKKRPEZ-GXTWGEPZSA-N 0 3 358.442 3.023 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598004 499151617 /nfs/dbraw/zinc/15/16/17/499151617.db2.gz FCUVBDYVKKRPEZ-GXTWGEPZSA-N 0 3 358.442 3.023 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)c([O-])c1 ZINC000370375426 499214800 /nfs/dbraw/zinc/21/48/00/499214800.db2.gz UVCFWMZGEFGGSQ-JKSUJKDBSA-N 0 3 353.466 3.119 20 10 FGCDHN COc1cccc(C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)c1[O-] ZINC000371327925 499310701 /nfs/dbraw/zinc/31/07/01/499310701.db2.gz QHFJUGUIRLTFJK-LJQANCHMSA-N 0 3 360.498 3.404 20 10 FGCDHN COC(=O)c1ccnc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3[O-])CC2)c1 ZINC000371865282 499373065 /nfs/dbraw/zinc/37/30/65/499373065.db2.gz TWZNBJMVAPHVRV-HNNXBMFYSA-N 0 3 369.465 3.202 20 10 FGCDHN COc1cccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c1[O-] ZINC000373489886 499472874 /nfs/dbraw/zinc/47/28/74/499472874.db2.gz NCDFWJYROXQRNC-UHFFFAOYSA-N 0 3 358.404 3.296 20 10 FGCDHN COc1cc(Br)cc(CN2CCC(c3c[nH]cn3)CC2)c1O ZINC000378335828 499502882 /nfs/dbraw/zinc/50/28/82/499502882.db2.gz UNMORHIFSZJMJM-UHFFFAOYSA-N 0 3 366.259 3.266 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377911987 499747522 /nfs/dbraw/zinc/74/75/22/499747522.db2.gz JNPZPMJFUJGZSX-MRXNPFEDSA-N 0 3 355.482 3.453 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377911987 499747524 /nfs/dbraw/zinc/74/75/24/499747524.db2.gz JNPZPMJFUJGZSX-MRXNPFEDSA-N 0 3 355.482 3.453 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000472229587 502277749 /nfs/dbraw/zinc/27/77/49/502277749.db2.gz MAWKKJYUFYETAP-KRWDZBQOSA-N 0 3 354.498 3.303 20 10 FGCDHN COc1cccc(CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1O ZINC000527799329 503950368 /nfs/dbraw/zinc/95/03/68/503950368.db2.gz VGGWPPCBSZTUTG-AWEZNQCLSA-N 0 3 364.804 3.088 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000090592533 700406251 /nfs/dbraw/zinc/40/62/51/700406251.db2.gz FTJRUEREJWOYPP-CZUORRHYSA-N 0 3 357.420 3.347 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)CCC(C)C)c1[O-] ZINC000124022594 700713781 /nfs/dbraw/zinc/71/37/81/700713781.db2.gz FEFPGKUOXSSGIG-MRXNPFEDSA-N 0 3 360.292 3.440 20 10 FGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000179562052 705705230 /nfs/dbraw/zinc/70/52/30/705705230.db2.gz NKAAUHVQUWSCDG-HNNXBMFYSA-N 0 3 355.356 3.283 20 10 FGCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000179562052 705705238 /nfs/dbraw/zinc/70/52/38/705705238.db2.gz NKAAUHVQUWSCDG-HNNXBMFYSA-N 0 3 355.356 3.283 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000381406822 713978776 /nfs/dbraw/zinc/97/87/76/713978776.db2.gz WSYBAUIJPGWIQT-GHMZBOCLSA-N 0 3 358.866 3.446 20 10 FGCDHN COc1cc(Br)cc(CN2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000790934656 723196091 /nfs/dbraw/zinc/19/60/91/723196091.db2.gz QPABRMDJQHGFTB-BXUZGUMPSA-N 0 3 358.276 3.289 20 10 FGCDHN [O-]c1cccc(Cl)c1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000780781783 724500595 /nfs/dbraw/zinc/50/05/95/724500595.db2.gz MAKBEYRQSUOBLN-UHFFFAOYSA-N 0 3 352.906 3.370 20 10 FGCDHN C[C@H](NCCS(=O)(=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756460401 722965013 /nfs/dbraw/zinc/96/50/13/722965013.db2.gz ZTQFOXRJHRVYCC-HNNXBMFYSA-N 0 3 359.491 3.396 20 10 FGCDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(N(C)C)cc2C)cc1 ZINC000756585613 722967284 /nfs/dbraw/zinc/96/72/84/722967284.db2.gz LASMIQRQQXAWRP-KRWDZBQOSA-N 0 3 360.523 3.321 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Br)c(F)cc1[O-] ZINC000756647832 722968168 /nfs/dbraw/zinc/96/81/68/722968168.db2.gz VPMJGSVWNODCAJ-WPRPVWTQSA-N 0 3 354.223 3.225 20 10 FGCDHN CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C)cc1[O-] ZINC000794806378 723546939 /nfs/dbraw/zinc/54/69/39/723546939.db2.gz HYJMHNBEWJRXTK-GOSISDBHSA-N 0 3 363.479 3.224 20 10 FGCDHN CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(C)cc1[O-] ZINC000794807156 723547070 /nfs/dbraw/zinc/54/70/70/723547070.db2.gz KNQJGQMUJXXYHT-SCLBCKFNSA-N 0 3 351.393 3.459 20 10 FGCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000775152785 723964736 /nfs/dbraw/zinc/96/47/36/723964736.db2.gz GTDHHJKDCPEJET-CJNGLKHVSA-N 0 3 350.459 3.136 20 10 FGCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000775152785 723964738 /nfs/dbraw/zinc/96/47/38/723964738.db2.gz GTDHHJKDCPEJET-CJNGLKHVSA-N 0 3 350.459 3.136 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1ccccc1[O-] ZINC000775492174 723995768 /nfs/dbraw/zinc/99/57/68/723995768.db2.gz MYIFPRNEKORNAJ-GOSISDBHSA-N 0 3 362.495 3.320 20 10 FGCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1[O-] ZINC000775701177 724027751 /nfs/dbraw/zinc/02/77/51/724027751.db2.gz DBITXUJLQZWVKK-UHFFFAOYSA-N 0 3 358.869 3.373 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000775735303 724034346 /nfs/dbraw/zinc/03/43/46/724034346.db2.gz LEZRDYFDDHMFMH-ZDUSSCGKSA-N 0 3 364.287 3.261 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000775735303 724034351 /nfs/dbraw/zinc/03/43/51/724034351.db2.gz LEZRDYFDDHMFMH-ZDUSSCGKSA-N 0 3 364.287 3.261 20 10 FGCDHN CC1CCN([C@@H](CNC(=O)c2cccc(O)c2O)c2cccs2)CC1 ZINC000776318358 724131764 /nfs/dbraw/zinc/13/17/64/724131764.db2.gz WTLZJRQXIVRJMS-HNNXBMFYSA-N 0 3 360.479 3.362 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1[O-] ZINC000809718355 725262166 /nfs/dbraw/zinc/26/21/66/725262166.db2.gz IVKYJAPHHKRWPJ-HSZRJFAPSA-N 0 3 353.871 3.223 20 10 FGCDHN CCCNC(=O)OC[C@H]1CCCCN1Cc1cc(OCC)ccc1O ZINC000809726874 725263379 /nfs/dbraw/zinc/26/33/79/725263379.db2.gz WSBRUYYUQXUUBE-MRXNPFEDSA-N 0 3 350.459 3.282 20 10 FGCDHN CN(C)c1ccc(CN2CC[C@@H](c3nccn3C)C2)c(C(F)(F)F)c1 ZINC000809757489 725265796 /nfs/dbraw/zinc/26/57/96/725265796.db2.gz OFCDUKJPAWYJNY-CQSZACIVSA-N 0 3 352.404 3.494 20 10 FGCDHN C[C@@H](CN(C)Cc1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000823371846 729272640 /nfs/dbraw/zinc/27/26/40/729272640.db2.gz NEHLKKMJPAMNEV-INIZCTEOSA-N 0 3 360.523 3.392 20 10 FGCDHN CS(=O)(=O)c1cccc(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000823736487 729302012 /nfs/dbraw/zinc/30/20/12/729302012.db2.gz DGQHTDRXOWBOIJ-UHFFFAOYSA-N 0 3 358.507 3.370 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000825091003 729370268 /nfs/dbraw/zinc/37/02/68/729370268.db2.gz QRSBRHVRRHZWCO-CYBMUJFWSA-N 0 3 358.276 3.146 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)c1[O-] ZINC000848528850 731175961 /nfs/dbraw/zinc/17/59/61/731175961.db2.gz ILAZUYZUZIMKLH-GXFFZTMASA-N 0 3 370.243 3.449 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)c1[O-] ZINC000848529526 731175965 /nfs/dbraw/zinc/17/59/65/731175965.db2.gz PHDRETZIGXFXOF-LOWVWBTDSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2cnn(C)c2)c1O ZINC000848529177 731175996 /nfs/dbraw/zinc/17/59/96/731175996.db2.gz LADUFVOELQHBHH-VHSXEESVSA-N 0 3 354.248 3.309 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1[O-] ZINC000848529177 731175999 /nfs/dbraw/zinc/17/59/99/731175999.db2.gz LADUFVOELQHBHH-VHSXEESVSA-N 0 3 354.248 3.309 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000848552623 731180643 /nfs/dbraw/zinc/18/06/43/731180643.db2.gz FEGPQXRRCYKWAT-GYSYKLTISA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000848554175 731180817 /nfs/dbraw/zinc/18/08/17/731180817.db2.gz QSUDFQUFJMGFOJ-MNOVXSKESA-N 0 3 368.275 3.179 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1[O-] ZINC000848575579 731184630 /nfs/dbraw/zinc/18/46/30/731184630.db2.gz SPTAWTUQMLXJMC-CABCVRRESA-N 0 3 369.303 3.270 20 10 FGCDHN CCc1cccc(CN2CCN(c3ncnc4ccsc43)CC2)c1O ZINC000848885028 731217627 /nfs/dbraw/zinc/21/76/27/731217627.db2.gz QFDLAZZZAMVSGW-UHFFFAOYSA-N 0 3 354.479 3.282 20 10 FGCDHN CN(C)[C@H](CNC(=O)CSc1ncc(Cl)s1)c1ccccc1 ZINC000849997724 731307573 /nfs/dbraw/zinc/30/75/73/731307573.db2.gz DGMCDJZZUAULNB-GFCCVEGCSA-N 0 3 355.916 3.308 20 10 FGCDHN Cc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c([O-])c1 ZINC000876649470 736126714 /nfs/dbraw/zinc/12/67/14/736126714.db2.gz WYWQXYQVJDDDLE-UHFFFAOYSA-N 0 3 358.507 3.333 20 10 FGCDHN COc1ccc(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000894638162 742312419 /nfs/dbraw/zinc/31/24/19/742312419.db2.gz QESUNXSUNDSKDG-LBPRGKRZSA-N 0 3 360.401 3.039 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896983986 742626604 /nfs/dbraw/zinc/62/66/04/742626604.db2.gz GIXHBVSIZQENJN-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896983986 742626606 /nfs/dbraw/zinc/62/66/06/742626606.db2.gz GIXHBVSIZQENJN-CQSZACIVSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000903259547 743831107 /nfs/dbraw/zinc/83/11/07/743831107.db2.gz FTKXYVAKWCMUGL-VAHXTSCQSA-N 0 3 356.260 3.381 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@]23CCC[C@H]2OCC3)c1[O-] ZINC000922699101 758985349 /nfs/dbraw/zinc/98/53/49/758985349.db2.gz QJNDEBFNBVRURX-GDBMZVCRSA-N 0 3 356.260 3.212 20 10 FGCDHN CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000088493943 494243836 /nfs/dbraw/zinc/24/38/36/494243836.db2.gz BJZHPOIEOUURCG-UHFFFAOYSA-N 0 3 370.497 3.153 20 10 FGCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000092644554 494692513 /nfs/dbraw/zinc/69/25/13/494692513.db2.gz XSFVJHVROPUQRE-UHFFFAOYSA-N 0 3 358.507 3.333 20 10 FGCDHN COc1cc(Br)cc(CN2CCC(n3ccnc3)CC2)c1O ZINC000092648427 494692559 /nfs/dbraw/zinc/69/25/59/494692559.db2.gz CKELOTSXDLJOGD-UHFFFAOYSA-N 0 3 366.259 3.197 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC000092644714 494694406 /nfs/dbraw/zinc/69/44/06/494694406.db2.gz BYUHGDMHLILOPL-UHFFFAOYSA-N 0 3 360.498 3.452 20 10 FGCDHN c1cnnc(N2CCCN(Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000093149971 494836094 /nfs/dbraw/zinc/83/60/94/494836094.db2.gz XRKQYOUEKQTQSJ-UHFFFAOYSA-N 0 3 351.498 3.179 20 10 FGCDHN COc1cccc(NC2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000093358216 494877004 /nfs/dbraw/zinc/87/70/04/494877004.db2.gz UALIFJBBXIYONT-UHFFFAOYSA-N 0 3 356.422 3.206 20 10 FGCDHN Cn1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000123414000 495128561 /nfs/dbraw/zinc/12/85/61/495128561.db2.gz ILOMRDWITUBTNZ-UHFFFAOYSA-N 0 3 353.388 3.170 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000185472917 495590834 /nfs/dbraw/zinc/59/08/34/495590834.db2.gz AUVPTIZINMCYNY-GUXCAODWSA-N 0 3 355.482 3.357 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000182672245 495658436 /nfs/dbraw/zinc/65/84/36/495658436.db2.gz YOICLCSYVKMNPR-INIZCTEOSA-N 0 3 358.869 3.492 20 10 FGCDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000179986141 495811403 /nfs/dbraw/zinc/81/14/03/495811403.db2.gz QMMQVUJVCZGCBI-YLJYHZDGSA-N 0 3 360.498 3.250 20 10 FGCDHN COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2=O)cc1 ZINC000186050351 495836544 /nfs/dbraw/zinc/83/65/44/495836544.db2.gz PAAKYGJWIWKPBV-KXBFYZLASA-N 0 3 354.450 3.161 20 10 FGCDHN COC[C@H](Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151534521 495870323 /nfs/dbraw/zinc/87/03/23/495870323.db2.gz KGVATVRVKVZYLN-IBGZPJMESA-N 0 3 372.484 3.134 20 10 FGCDHN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc(OC)ccc1O ZINC000186164370 495879664 /nfs/dbraw/zinc/87/96/64/495879664.db2.gz LFQBREOWPUBDLR-LSDHHAIUSA-N 0 3 363.479 3.304 20 10 FGCDHN CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000155270938 495899225 /nfs/dbraw/zinc/89/92/25/495899225.db2.gz OPYNYMFJENMBDD-KDOFPFPSSA-N 0 3 362.495 3.444 20 10 FGCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000180606284 496064841 /nfs/dbraw/zinc/06/48/41/496064841.db2.gz PGGIJMXCOOZCFX-VFADXPBXSA-N 0 3 358.463 3.126 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1[O-] ZINC000186959591 496229649 /nfs/dbraw/zinc/22/96/49/496229649.db2.gz ADTBNNVPASUTAC-NSHDSACASA-N 0 3 367.243 3.137 20 10 FGCDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000187307595 496386257 /nfs/dbraw/zinc/38/62/57/496386257.db2.gz FYONBAULTKPBQZ-AAEUAGOBSA-N 0 3 355.276 3.125 20 10 FGCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000184675848 496488802 /nfs/dbraw/zinc/48/88/02/496488802.db2.gz WTGGNIQEYXSOPL-CYBMUJFWSA-N 0 3 372.856 3.477 20 10 FGCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000184675848 496488811 /nfs/dbraw/zinc/48/88/11/496488811.db2.gz WTGGNIQEYXSOPL-CYBMUJFWSA-N 0 3 372.856 3.477 20 10 FGCDHN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178665231 496532603 /nfs/dbraw/zinc/53/26/03/496532603.db2.gz QTWHILFGSXXYBB-JKSUJKDBSA-N 0 3 368.481 3.426 20 10 FGCDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)c1 ZINC000157725567 496539206 /nfs/dbraw/zinc/53/92/06/496539206.db2.gz SEJNALUJXZCXPN-CYBMUJFWSA-N 0 3 350.413 3.341 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000185057957 496640786 /nfs/dbraw/zinc/64/07/86/496640786.db2.gz CVSDAUCFSSTXFI-HNNXBMFYSA-N 0 3 352.438 3.449 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000185118490 496668314 /nfs/dbraw/zinc/66/83/14/496668314.db2.gz DTJDPEBBHXVKTL-CYBMUJFWSA-N 0 3 362.420 3.482 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000182313247 496729222 /nfs/dbraw/zinc/72/92/22/496729222.db2.gz XMHVHVATNXFXQD-LBPRGKRZSA-N 0 3 369.870 3.179 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(OC)c(OC)c2OC)c1 ZINC000273601658 496850835 /nfs/dbraw/zinc/85/08/35/496850835.db2.gz RYURIVJTSRCJOS-CYBMUJFWSA-N 0 3 361.438 3.320 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000277978876 496958209 /nfs/dbraw/zinc/95/82/09/496958209.db2.gz TVUFMBSECKQYBK-UKRRQHHQSA-N 0 3 350.459 3.136 20 10 FGCDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000237009911 497180102 /nfs/dbraw/zinc/18/01/02/497180102.db2.gz CMSVZDDLKSDJIQ-OAHLLOKOSA-N 0 3 362.495 3.274 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)c1ccccc1[O-] ZINC000274896968 497193693 /nfs/dbraw/zinc/19/36/93/497193693.db2.gz KKIBJOSHPJVGFE-FQEVSTJZSA-N 0 3 367.493 3.302 20 10 FGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000237513049 497249283 /nfs/dbraw/zinc/24/92/83/497249283.db2.gz GZENOCGFZSBKJR-UTKZUKDTSA-N 0 3 351.494 3.180 20 10 FGCDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccccc1[O-] ZINC000237578605 497258602 /nfs/dbraw/zinc/25/86/02/497258602.db2.gz BATSOSAOWXICAE-MRXNPFEDSA-N 0 3 353.466 3.499 20 10 FGCDHN COc1ccc(O)c(CN2CCC(Oc3c(OC)cccc3OC)CC2)c1 ZINC000271754079 497439404 /nfs/dbraw/zinc/43/94/04/497439404.db2.gz WNMYKYLXZXXGTE-UHFFFAOYSA-N 0 3 373.449 3.461 20 10 FGCDHN CCOc1cccc(CN2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1O ZINC000364256832 497864542 /nfs/dbraw/zinc/86/45/42/497864542.db2.gz AWYRDVRQZHBFDA-QGZVFWFLSA-N 0 3 358.438 3.357 20 10 FGCDHN CC[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc2C1)c1ccccc1[O-] ZINC000364367920 497924645 /nfs/dbraw/zinc/92/46/45/497924645.db2.gz YPMWCQQFGZYKSY-GOSISDBHSA-N 0 3 354.450 3.244 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@]4(CCN(C)C4)C3)ccc21 ZINC000292299278 497960233 /nfs/dbraw/zinc/96/02/33/497960233.db2.gz RXHYPLBZKBMMMB-QFIPXVFZSA-N 0 3 369.509 3.072 20 10 FGCDHN COc1ccc(N2CCC(N(C)C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000360521050 498281330 /nfs/dbraw/zinc/28/13/30/498281330.db2.gz SCXAVWRZUXLBRN-OAQYLSRUSA-N 0 3 358.457 3.469 20 10 FGCDHN COc1cccc(CC(=O)N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)c1 ZINC000360699542 498300560 /nfs/dbraw/zinc/30/05/60/498300560.db2.gz PIMOKMSMHCPJPZ-INIZCTEOSA-N 0 3 368.477 3.285 20 10 FGCDHN CCc1cc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc(C)n1 ZINC000302117942 498410516 /nfs/dbraw/zinc/41/05/16/498410516.db2.gz WXXZTIHNNGOGFZ-UHFFFAOYSA-N 0 3 365.525 3.492 20 10 FGCDHN COc1ccc(C[C@@](C)(O)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1OC ZINC000290178956 498454012 /nfs/dbraw/zinc/45/40/12/498454012.db2.gz NJBHDOMXRRGJHS-YCRPNKLZSA-N 0 3 359.466 3.362 20 10 FGCDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000287061922 498613257 /nfs/dbraw/zinc/61/32/57/498613257.db2.gz NOLJRQNWJAOPHQ-JKSUJKDBSA-N 0 3 368.518 3.291 20 10 FGCDHN Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3c([O-])ccc4ccccc43)CCCN2C)cn1 ZINC000363176197 498686519 /nfs/dbraw/zinc/68/65/19/498686519.db2.gz GMRVDHVEAZNQSI-VGSWGCGISA-N 0 3 364.493 3.452 20 10 FGCDHN Cc1n[nH]cc1CNC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363381785 498791990 /nfs/dbraw/zinc/79/19/90/498791990.db2.gz KMSJWGPVPMQHNX-CYBMUJFWSA-N 0 3 354.376 3.233 20 10 FGCDHN Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c([O-])c1O ZINC000366305162 498866264 /nfs/dbraw/zinc/86/62/64/498866264.db2.gz PVLSRQZQIRHDAC-ROUUACIJSA-N 0 3 366.461 3.000 20 10 FGCDHN Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c([O-])c1O ZINC000366305162 498866267 /nfs/dbraw/zinc/86/62/67/498866267.db2.gz PVLSRQZQIRHDAC-ROUUACIJSA-N 0 3 366.461 3.000 20 10 FGCDHN COc1ccc([C@H](O)C2CC[NH+](Cc3cc(OC)ccc3[O-])CC2)cc1 ZINC000291267158 498869529 /nfs/dbraw/zinc/86/95/29/498869529.db2.gz NLNDCFOLNBYQTI-NRFANRHFSA-N 0 3 357.450 3.355 20 10 FGCDHN CC(C)(C)[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000366348971 498886751 /nfs/dbraw/zinc/88/67/51/498886751.db2.gz TXPIUGPOIUKDDG-OAHLLOKOSA-N 0 3 373.419 3.044 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c([O-])c1C ZINC000363860957 499029951 /nfs/dbraw/zinc/02/99/51/499029951.db2.gz VXMWMMSPONPHCQ-ABSDTBQOSA-N 0 3 356.514 3.476 20 10 FGCDHN COc1ccc(N2CCC(N(C)Cc3cn4ccccc4n3)CC2)cc1 ZINC000369815624 499133025 /nfs/dbraw/zinc/13/30/25/499133025.db2.gz CQILRVVNFNAZPV-UHFFFAOYSA-N 0 3 350.466 3.444 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)[C@H]2c2cccs2)c1 ZINC000369910978 499150763 /nfs/dbraw/zinc/15/07/63/499150763.db2.gz WPORSPUQHLUPFA-VRHCTWJESA-N 0 3 360.479 3.475 20 10 FGCDHN Cc1cnn(C)c1CNC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000367212311 499162224 /nfs/dbraw/zinc/16/22/24/499162224.db2.gz PZVJFCFRBPBXKI-UHFFFAOYSA-N 0 3 368.403 3.386 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)c1 ZINC000367547716 499211117 /nfs/dbraw/zinc/21/11/17/499211117.db2.gz ZWIJQDJUDFAHQG-BEFAXECRSA-N 0 3 360.479 3.304 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCCN(Cc3nccn3CC)CC2)c([O-])c1 ZINC000371414708 499323071 /nfs/dbraw/zinc/32/30/71/499323071.db2.gz LAOCPXCUKDPMNW-UHFFFAOYSA-N 0 3 372.513 3.105 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCCN(Cc3nccn3CC)CC2)c([O-])c1 ZINC000371414708 499323072 /nfs/dbraw/zinc/32/30/72/499323072.db2.gz LAOCPXCUKDPMNW-UHFFFAOYSA-N 0 3 372.513 3.105 20 10 FGCDHN Cc1ccc(O)c(CN2CCCN(C(=O)c3cc(Cl)cn3C)CC2)c1 ZINC000371417882 499324103 /nfs/dbraw/zinc/32/41/03/499324103.db2.gz YWJFTJQWKIMRES-UHFFFAOYSA-N 0 3 361.873 3.041 20 10 FGCDHN Cc1ccnc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000371894476 499376193 /nfs/dbraw/zinc/37/61/93/499376193.db2.gz QYVUAGMCSIPVBP-UHFFFAOYSA-N 0 3 352.482 3.001 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]C1CC(N3CCC(C(F)(F)F)CC3)C1)OCO2 ZINC000373486180 499472775 /nfs/dbraw/zinc/47/27/75/499472775.db2.gz RAWXSYHXKDAJTO-UHFFFAOYSA-N 0 3 372.387 3.016 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000378332295 499502353 /nfs/dbraw/zinc/50/23/53/499502353.db2.gz HUKUBRDDUUIBMP-INIZCTEOSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000378332295 499502354 /nfs/dbraw/zinc/50/23/54/499502354.db2.gz HUKUBRDDUUIBMP-INIZCTEOSA-N 0 3 369.465 3.345 20 10 FGCDHN CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000376168357 499588292 /nfs/dbraw/zinc/58/82/92/499588292.db2.gz ULSLAOSPZRUMMI-OAHLLOKOSA-N 0 3 371.485 3.253 20 10 FGCDHN CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000376168357 499588294 /nfs/dbraw/zinc/58/82/94/499588294.db2.gz ULSLAOSPZRUMMI-OAHLLOKOSA-N 0 3 371.485 3.253 20 10 FGCDHN CN1CCCc2cc(C[NH2+][C@@H]3CCCc4cc(-c5nnn[n-]5)ccc43)ccc21 ZINC000826033965 608507380 /nfs/dbraw/zinc/50/73/80/608507380.db2.gz MHWWHGYUYSMHCK-HXUWFJFHSA-N 0 3 374.492 3.416 20 10 FGCDHN CN1CCCc2cc(C[NH2+][C@@H]3CCCc4cc(-c5nn[n-]n5)ccc43)ccc21 ZINC000826033965 608507382 /nfs/dbraw/zinc/50/73/82/608507382.db2.gz MHWWHGYUYSMHCK-HXUWFJFHSA-N 0 3 374.492 3.416 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826268537 608512881 /nfs/dbraw/zinc/51/28/81/608512881.db2.gz BSNLSIUYJMYOAA-HXUWFJFHSA-N 0 3 362.481 3.408 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826268537 608512883 /nfs/dbraw/zinc/51/28/83/608512883.db2.gz BSNLSIUYJMYOAA-HXUWFJFHSA-N 0 3 362.481 3.408 20 10 FGCDHN CCOc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1O ZINC000825649285 608533203 /nfs/dbraw/zinc/53/32/03/608533203.db2.gz NUSHZAFZGNPDJS-UHFFFAOYSA-N 0 3 367.453 3.382 20 10 FGCDHN CCOc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1O ZINC000825649285 608533204 /nfs/dbraw/zinc/53/32/04/608533204.db2.gz NUSHZAFZGNPDJS-UHFFFAOYSA-N 0 3 367.453 3.382 20 10 FGCDHN CCOc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1O ZINC000825649285 608533206 /nfs/dbraw/zinc/53/32/06/608533206.db2.gz NUSHZAFZGNPDJS-UHFFFAOYSA-N 0 3 367.453 3.382 20 10 FGCDHN CCOc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1O ZINC000825649285 608533207 /nfs/dbraw/zinc/53/32/07/608533207.db2.gz NUSHZAFZGNPDJS-UHFFFAOYSA-N 0 3 367.453 3.382 20 10 FGCDHN COc1cc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(O)cc1C ZINC000826179685 608546464 /nfs/dbraw/zinc/54/64/64/608546464.db2.gz ZKIZAILZBDMGJU-UHFFFAOYSA-N 0 3 367.453 3.300 20 10 FGCDHN COc1cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c(O)cc1C ZINC000826179685 608546466 /nfs/dbraw/zinc/54/64/66/608546466.db2.gz ZKIZAILZBDMGJU-UHFFFAOYSA-N 0 3 367.453 3.300 20 10 FGCDHN COc1cc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(O)cc1C ZINC000826179685 608546468 /nfs/dbraw/zinc/54/64/68/608546468.db2.gz ZKIZAILZBDMGJU-UHFFFAOYSA-N 0 3 367.453 3.300 20 10 FGCDHN COc1cc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(O)cc1C ZINC000826179685 608546470 /nfs/dbraw/zinc/54/64/70/608546470.db2.gz ZKIZAILZBDMGJU-UHFFFAOYSA-N 0 3 367.453 3.300 20 10 FGCDHN COCCN(CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000385547560 713983844 /nfs/dbraw/zinc/98/38/44/713983844.db2.gz OOJLGHSERKMPSG-ZDUSSCGKSA-N 0 3 356.438 3.065 20 10 FGCDHN COCCN(CC[NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000385547559 713983911 /nfs/dbraw/zinc/98/39/11/713983911.db2.gz OOJLGHSERKMPSG-CYBMUJFWSA-N 0 3 356.438 3.065 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000779059780 724385722 /nfs/dbraw/zinc/38/57/22/724385722.db2.gz WFOMEICFVMQMFZ-UHFFFAOYSA-N 0 3 368.202 3.355 20 10 FGCDHN COCCO[C@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000802652081 724397436 /nfs/dbraw/zinc/39/74/36/724397436.db2.gz KQHUUTWOYLVCNP-HNNXBMFYSA-N 0 3 358.276 3.091 20 10 FGCDHN CCOc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c([O-])c1 ZINC000779191171 724398912 /nfs/dbraw/zinc/39/89/12/724398912.db2.gz ZVKIXXIUBQEHRH-UHFFFAOYSA-N 0 3 363.845 3.278 20 10 FGCDHN CCOc1ccc(CN2CCC(Oc3cncc(Cl)n3)CC2)c(O)c1 ZINC000779191171 724398915 /nfs/dbraw/zinc/39/89/15/724398915.db2.gz ZVKIXXIUBQEHRH-UHFFFAOYSA-N 0 3 363.845 3.278 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCOC1 ZINC000780723209 724495581 /nfs/dbraw/zinc/49/55/81/724495581.db2.gz HEKPIJVQCZIJSN-DAYGRLMNSA-N 0 3 352.906 3.415 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000782547280 724681595 /nfs/dbraw/zinc/68/15/95/724681595.db2.gz PAGBEOFMDFCQGV-KGLIPLIRSA-N 0 3 350.459 3.326 20 10 FGCDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(Br)cc(C)c2[O-])C1(C)C ZINC000783724343 724782295 /nfs/dbraw/zinc/78/22/95/724782295.db2.gz VEYNPLQEFRXEMA-PBHICJAKSA-N 0 3 372.303 3.119 20 10 FGCDHN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000753731310 722910874 /nfs/dbraw/zinc/91/08/74/722910874.db2.gz NBSPJBIIZYIZEK-APWZRJJASA-N 0 3 350.528 3.295 20 10 FGCDHN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000753731314 722910903 /nfs/dbraw/zinc/91/09/03/722910903.db2.gz NBSPJBIIZYIZEK-LPHOPBHVSA-N 0 3 350.528 3.295 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cc(F)ccc1[O-] ZINC000756492981 722965551 /nfs/dbraw/zinc/96/55/51/722965551.db2.gz BJCGCMPWZGLWKX-NWDGAFQWSA-N 0 3 352.431 3.315 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(Br)c(F)cc1[O-] ZINC000756647828 722968179 /nfs/dbraw/zinc/96/81/79/722968179.db2.gz VPMJGSVWNODCAJ-PSASIEDQSA-N 0 3 354.223 3.225 20 10 FGCDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000760886012 723101538 /nfs/dbraw/zinc/10/15/38/723101538.db2.gz NNODQBQSCKVCRM-GDIGMMSISA-N 0 3 368.905 3.021 20 10 FGCDHN CCOc1ccc(C[NH2+]CCCCn2cc(Br)cn2)c([O-])c1 ZINC000793207838 723411285 /nfs/dbraw/zinc/41/12/85/723411285.db2.gz SIBNVILTTTWNQP-UHFFFAOYSA-N 0 3 368.275 3.320 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCOCC1 ZINC000765994726 723550525 /nfs/dbraw/zinc/55/05/25/723550525.db2.gz RFEFINIBBFBEDE-RDTXWAMCSA-N 0 3 352.906 3.415 20 10 FGCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000768650961 723664287 /nfs/dbraw/zinc/66/42/87/723664287.db2.gz HUJTUFXFIKCLOF-UYAOXDASSA-N 0 3 357.885 3.468 20 10 FGCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCCN1CC ZINC000769289308 723681520 /nfs/dbraw/zinc/68/15/20/723681520.db2.gz DHMDXAFAAMWTMI-OAHLLOKOSA-N 0 3 369.303 3.378 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1[O-] ZINC000770285206 723710312 /nfs/dbraw/zinc/71/03/12/723710312.db2.gz DSUOVGVUKUVWDA-BXUZGUMPSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1[O-] ZINC000770285206 723710313 /nfs/dbraw/zinc/71/03/13/723710313.db2.gz DSUOVGVUKUVWDA-BXUZGUMPSA-N 0 3 356.260 3.164 20 10 FGCDHN C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000799726607 724088484 /nfs/dbraw/zinc/08/84/84/724088484.db2.gz QOOAVPMMVPXZKO-LBPRGKRZSA-N 0 3 360.329 3.376 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c1[O-] ZINC000776498818 724151559 /nfs/dbraw/zinc/15/15/59/724151559.db2.gz PZAJJPRMFOVWRH-TZTCFGBESA-N 0 3 358.276 3.312 20 10 FGCDHN CN(C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000802379829 724379878 /nfs/dbraw/zinc/37/98/78/724379878.db2.gz VETDIPLDNYHMKZ-WJXUGBSRSA-N 0 3 360.841 3.184 20 10 FGCDHN COC(=O)[C@H]1[C@H](CN(C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769357 725038077 /nfs/dbraw/zinc/03/80/77/725038077.db2.gz DUTUVNNFWPBBGH-DLBZAZTESA-N 0 3 352.425 3.163 20 10 FGCDHN Cn1ncc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)c1Cl ZINC000815121289 727041030 /nfs/dbraw/zinc/04/10/30/727041030.db2.gz JEZQMJCQCCQWOC-UHFFFAOYSA-N 0 3 370.831 3.434 20 10 FGCDHN CCNCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817951945 727289167 /nfs/dbraw/zinc/28/91/67/727289167.db2.gz LOKRLXGAYRJPBW-MRVPVSSYSA-N 0 3 366.097 3.177 20 10 FGCDHN CSc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)N(C)C)cc1 ZINC000819341747 727369219 /nfs/dbraw/zinc/36/92/19/727369219.db2.gz LPFSWNSUPDLMKI-INIZCTEOSA-N 0 3 360.479 3.161 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1[O-] ZINC000827538330 729431581 /nfs/dbraw/zinc/43/15/81/729431581.db2.gz ONXJQVIQBBJQCW-IAGOWNOFSA-N 0 3 350.890 3.087 20 10 FGCDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000834798453 729834953 /nfs/dbraw/zinc/83/49/53/729834953.db2.gz GIGCYQWHIIJXLH-NTZNESFSSA-N 0 3 360.483 3.046 20 10 FGCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000840959777 730197693 /nfs/dbraw/zinc/19/76/93/730197693.db2.gz UXGSKAPESHWCEN-MRXNPFEDSA-N 0 3 366.255 3.329 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000840959777 730197695 /nfs/dbraw/zinc/19/76/95/730197695.db2.gz UXGSKAPESHWCEN-MRXNPFEDSA-N 0 3 366.255 3.329 20 10 FGCDHN CS(=O)(=O)CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000840975118 730200086 /nfs/dbraw/zinc/20/00/86/730200086.db2.gz KUFRVELODBLNAD-UHFFFAOYSA-N 0 3 359.491 3.364 20 10 FGCDHN COc1ccc(CNCCc2ccc(N)cc2)c(Br)c1O ZINC000841035939 730205081 /nfs/dbraw/zinc/20/50/81/730205081.db2.gz QPNTUSVCZZKQNI-UHFFFAOYSA-N 0 3 351.244 3.078 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1[O-] ZINC000848517938 731174333 /nfs/dbraw/zinc/17/43/33/731174333.db2.gz HSJTVKPCSWGYSM-WDEREUQCSA-N 0 3 354.248 3.099 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1[O-] ZINC000848520403 731174873 /nfs/dbraw/zinc/17/48/73/731174873.db2.gz ITJQGCINGSUJAN-HZMBPMFUSA-N 0 3 357.292 3.154 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000848525982 731175165 /nfs/dbraw/zinc/17/51/65/731175165.db2.gz SSQYXPYXPAFFHW-NXEZZACHSA-N 0 3 373.291 3.117 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000848525982 731175169 /nfs/dbraw/zinc/17/51/69/731175169.db2.gz SSQYXPYXPAFFHW-NXEZZACHSA-N 0 3 373.291 3.117 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccncc2)c1[O-] ZINC000848533586 731176861 /nfs/dbraw/zinc/17/68/61/731176861.db2.gz SVVYGPGOUMXVMS-NSHDSACASA-N 0 3 351.244 3.452 20 10 FGCDHN CCn1nccc1CN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000853239530 731686694 /nfs/dbraw/zinc/68/66/94/731686694.db2.gz HLSZKKDHMSOLTD-JTQLQIEISA-N 0 3 354.248 3.231 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000858548310 732226102 /nfs/dbraw/zinc/22/61/02/732226102.db2.gz ULMGLCKAZCSPDJ-MRCXROJRSA-N 0 3 356.260 3.381 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)c1[O-] ZINC000858602524 732230551 /nfs/dbraw/zinc/23/05/51/732230551.db2.gz AWBMREGVISKLCS-ABAIWWIYSA-N 0 3 367.287 3.267 20 10 FGCDHN COc1cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(O)c(C(C)(C)C)c1 ZINC000862526816 732843307 /nfs/dbraw/zinc/84/33/07/732843307.db2.gz FBMBNBPLXFYOSH-YPCHGGDPSA-N 0 3 351.512 3.184 20 10 FGCDHN COc1cc(Br)cc([C@H](C)N[C@H](C)c2ccnn2C)c1O ZINC000866615530 733374870 /nfs/dbraw/zinc/37/48/70/733374870.db2.gz UYHBCMHJJYRGDK-VHSXEESVSA-N 0 3 354.248 3.309 20 10 FGCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2ccc(C)cc2O)CC1 ZINC000877547887 736682040 /nfs/dbraw/zinc/68/20/40/736682040.db2.gz NOIMEQAKIROZLW-UHFFFAOYSA-N 0 3 359.495 3.170 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C(F)(F)F)N(C)C)cc1 ZINC000891246401 739886019 /nfs/dbraw/zinc/88/60/19/739886019.db2.gz CCYVPAKTCZAPNT-OAHLLOKOSA-N 0 3 359.436 3.450 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2scnc2C(F)F)N(C)C)cc1 ZINC000891245547 739886109 /nfs/dbraw/zinc/88/61/09/739886109.db2.gz GILBJNWFDZLVQN-CYBMUJFWSA-N 0 3 368.453 3.179 20 10 FGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)NCc1cc(C)cc(OC)c1O ZINC000894357733 742272990 /nfs/dbraw/zinc/27/29/90/742272990.db2.gz YDBLAPZYONUSLT-INIZCTEOSA-N 0 3 363.479 3.051 20 10 FGCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c([O-])c1 ZINC000896967971 742623559 /nfs/dbraw/zinc/62/35/59/742623559.db2.gz ARUOBAADOAWNMM-CYBMUJFWSA-N 0 3 362.451 3.024 20 10 FGCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c([O-])c1 ZINC000896967971 742623560 /nfs/dbraw/zinc/62/35/60/742623560.db2.gz ARUOBAADOAWNMM-CYBMUJFWSA-N 0 3 362.451 3.024 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)c1[O-] ZINC000903439602 743851963 /nfs/dbraw/zinc/85/19/63/743851963.db2.gz GGXPUAXTIHNOFI-CUOATXAZSA-N 0 3 356.260 3.239 20 10 FGCDHN C[C@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925791678 759541140 /nfs/dbraw/zinc/54/11/40/759541140.db2.gz NFMNYDKLFNHYOZ-QWHCGFSZSA-N 0 3 358.404 3.220 20 10 FGCDHN C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000925791678 759541148 /nfs/dbraw/zinc/54/11/48/759541148.db2.gz NFMNYDKLFNHYOZ-QWHCGFSZSA-N 0 3 358.404 3.220 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1[O-] ZINC000779033793 724383386 /nfs/dbraw/zinc/38/33/86/724383386.db2.gz ZVGZBTJDTHKDNY-AAEUAGOBSA-N 0 3 355.276 3.123 20 10 FGCDHN COc1cccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1[O-] ZINC000092644537 494690719 /nfs/dbraw/zinc/69/07/19/494690719.db2.gz WMRDKIOSMBFLLP-UHFFFAOYSA-N 0 3 374.506 3.033 20 10 FGCDHN Cc1cc2ncc([C@H](C)NCc3ccc(N4CCOCC4)cc3)c(C)n2n1 ZINC000093400378 494886830 /nfs/dbraw/zinc/88/68/30/494886830.db2.gz RTDTUXPJQWYDET-INIZCTEOSA-N 0 3 365.481 3.034 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000093597104 494902399 /nfs/dbraw/zinc/90/23/99/494902399.db2.gz PQGGPOBHOMNOAR-ZDUSSCGKSA-N 0 3 369.303 3.081 20 10 FGCDHN O=C1NCCCN1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000093669041 494911049 /nfs/dbraw/zinc/91/10/49/494911049.db2.gz JYRRFKRYLXKERQ-UHFFFAOYSA-N 0 3 365.477 3.439 20 10 FGCDHN CC1CCN(C(=O)C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)CC1 ZINC000123136750 495086061 /nfs/dbraw/zinc/08/60/61/495086061.db2.gz QJJIXIKHOFOSSK-UHFFFAOYSA-N 0 3 361.505 3.362 20 10 FGCDHN COc1ccc(N2CCC(NCc3cccc(OC)c3OC)CC2)cc1 ZINC000102432813 495136240 /nfs/dbraw/zinc/13/62/40/495136240.db2.gz YZOVJCBDMDIKPO-UHFFFAOYSA-N 0 3 356.466 3.471 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124191330 495248494 /nfs/dbraw/zinc/24/84/94/495248494.db2.gz LVYVEYMMCOTSOH-MRXNPFEDSA-N 0 3 370.497 3.488 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124191330 495248497 /nfs/dbraw/zinc/24/84/97/495248497.db2.gz LVYVEYMMCOTSOH-MRXNPFEDSA-N 0 3 370.497 3.488 20 10 FGCDHN COCCOc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000151061431 495726784 /nfs/dbraw/zinc/72/67/84/495726784.db2.gz SDQZVQUVCQCNHH-SFHVURJKSA-N 0 3 370.493 3.399 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179780764 495733067 /nfs/dbraw/zinc/73/30/67/495733067.db2.gz SJJIDRFBSIGQCY-HNNXBMFYSA-N 0 3 352.438 3.213 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179780764 495733070 /nfs/dbraw/zinc/73/30/70/495733070.db2.gz SJJIDRFBSIGQCY-HNNXBMFYSA-N 0 3 352.438 3.213 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000186020577 495824146 /nfs/dbraw/zinc/82/41/46/495824146.db2.gz SXMWEPXUHYBYKL-HNNXBMFYSA-N 0 3 354.450 3.374 20 10 FGCDHN C[C@@H](NC[C@](C)(O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160118318 495888233 /nfs/dbraw/zinc/88/82/33/495888233.db2.gz CVRHOWXHXHHXOH-KUHUBIRLSA-N 0 3 364.486 3.282 20 10 FGCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000183428564 495979250 /nfs/dbraw/zinc/97/92/50/495979250.db2.gz BFIDACRQIXTPOT-HUUCEWRRSA-N 0 3 354.450 3.461 20 10 FGCDHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000151881222 495979312 /nfs/dbraw/zinc/97/93/12/495979312.db2.gz XMYSFBDQLBGHQI-GJZGRUSLSA-N 0 3 361.511 3.073 20 10 FGCDHN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC000180848299 496169363 /nfs/dbraw/zinc/16/93/63/496169363.db2.gz DLOKMMJPZIAAPW-GRWKNNQQSA-N 0 3 366.461 3.280 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(Cl)ccc1[O-] ZINC000184968391 496604642 /nfs/dbraw/zinc/60/46/42/496604642.db2.gz HUGQSPNYPYVHLZ-AWEZNQCLSA-N 0 3 360.889 3.043 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2N2CCN(C)CC2)cc1 ZINC000158449726 496705405 /nfs/dbraw/zinc/70/54/05/496705405.db2.gz GZPNQYAJPDVNLC-GOSISDBHSA-N 0 3 367.541 3.140 20 10 FGCDHN C[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000268806173 496791931 /nfs/dbraw/zinc/79/19/31/496791931.db2.gz MJXQXLSISGNELN-QGZVFWFLSA-N 0 3 367.493 3.076 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000273411849 496798106 /nfs/dbraw/zinc/79/81/06/496798106.db2.gz PVORXECRFAJPMB-CQSZACIVSA-N 0 3 374.506 3.493 20 10 FGCDHN CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000273599758 496849817 /nfs/dbraw/zinc/84/98/17/496849817.db2.gz RTLGWTFCVMIMKI-QGZVFWFLSA-N 0 3 367.493 3.220 20 10 FGCDHN Fc1ccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cn1 ZINC000191677873 496852741 /nfs/dbraw/zinc/85/27/41/496852741.db2.gz DIJPOJVPYYRFOR-UHFFFAOYSA-N 0 3 371.456 3.101 20 10 FGCDHN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273610340 496853194 /nfs/dbraw/zinc/85/31/94/496853194.db2.gz VOGJJWPXZAYAQH-HUUCEWRRSA-N 0 3 362.495 3.329 20 10 FGCDHN COc1cc(Cl)cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000273736152 496889284 /nfs/dbraw/zinc/88/92/84/496889284.db2.gz LBJBVQZBHOHMQO-UHFFFAOYSA-N 0 3 360.841 3.318 20 10 FGCDHN CCCOc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)c([O-])c1 ZINC000264537059 496923157 /nfs/dbraw/zinc/92/31/57/496923157.db2.gz NAORYMBUKXKQAE-UHFFFAOYSA-N 0 3 352.438 3.111 20 10 FGCDHN OC[C@@H](C[C@H](O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000269918913 497023977 /nfs/dbraw/zinc/02/39/77/497023977.db2.gz KELJIHISZXUKQO-IRLDBZIGSA-N 0 3 354.494 3.251 20 10 FGCDHN COc1ccc([C@H]2[C@@H](CNC(=O)Cc3ccc(N)cc3)CCCN2C)cc1 ZINC000237380677 497228743 /nfs/dbraw/zinc/22/87/43/497228743.db2.gz MVRSLLICLAIDFE-GCJKJVERSA-N 0 3 367.493 3.019 20 10 FGCDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000237565046 497255472 /nfs/dbraw/zinc/25/54/72/497255472.db2.gz KQXSMSHHRIYFJH-UTKZUKDTSA-N 0 3 351.494 3.323 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278895004 497259024 /nfs/dbraw/zinc/25/90/24/497259024.db2.gz YVQPYOIXZZFCJX-QWHCGFSZSA-N 0 3 360.329 3.376 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1[O-] ZINC000271134331 497270757 /nfs/dbraw/zinc/27/07/57/497270757.db2.gz BKBBFGFISQWEPK-UHFFFAOYSA-N 0 3 360.498 3.452 20 10 FGCDHN CC[NH+](CC)Cc1ccccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278935088 497272412 /nfs/dbraw/zinc/27/24/12/497272412.db2.gz WUXBTYLOLQBHIW-UHFFFAOYSA-N 0 3 373.453 3.441 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000193137620 497311714 /nfs/dbraw/zinc/31/17/14/497311714.db2.gz DHZNQJXGUNIKLC-MJGOQNOKSA-N 0 3 366.461 3.225 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000193137620 497311717 /nfs/dbraw/zinc/31/17/17/497311717.db2.gz DHZNQJXGUNIKLC-MJGOQNOKSA-N 0 3 366.461 3.225 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245715688 497513877 /nfs/dbraw/zinc/51/38/77/497513877.db2.gz CTUMEXXLTHHVCX-AZUAARDMSA-N 0 3 356.514 3.212 20 10 FGCDHN CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(C)cc1[O-] ZINC000279957393 497602188 /nfs/dbraw/zinc/60/21/88/497602188.db2.gz CDNSYXGTXBSBMS-FQEVSTJZSA-N 0 3 368.477 3.414 20 10 FGCDHN O=C(NCc1ccccc1O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000263697274 497809349 /nfs/dbraw/zinc/80/93/49/497809349.db2.gz HSHGTDRONIWFBW-HNNXBMFYSA-N 0 3 359.495 3.165 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1[O-] ZINC000284547684 497824704 /nfs/dbraw/zinc/82/47/04/497824704.db2.gz HEYAUPZKUUTYPU-DOTOQJQBSA-N 0 3 363.255 3.478 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@H]3CCc4cccc([O-])c43)CC2)c1 ZINC000296288514 497985982 /nfs/dbraw/zinc/98/59/82/497985982.db2.gz FHXKACPJVVIRSE-KRWDZBQOSA-N 0 3 355.438 3.090 20 10 FGCDHN CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3cc(F)ccc3[O-])CC2)c1 ZINC000296352771 498008902 /nfs/dbraw/zinc/00/89/02/498008902.db2.gz IIOMRMONXMZEBG-CYBMUJFWSA-N 0 3 361.417 3.303 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000289373546 498124317 /nfs/dbraw/zinc/12/43/17/498124317.db2.gz BDBYDDUTPADTJJ-OAQYLSRUSA-N 0 3 359.441 3.357 20 10 FGCDHN CCOc1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000289373546 498124320 /nfs/dbraw/zinc/12/43/20/498124320.db2.gz BDBYDDUTPADTJJ-OAQYLSRUSA-N 0 3 359.441 3.357 20 10 FGCDHN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1O ZINC000289489992 498167915 /nfs/dbraw/zinc/16/79/15/498167915.db2.gz RMKSRRVGKOSHKX-CQSZACIVSA-N 0 3 365.857 3.009 20 10 FGCDHN COc1ccc(O)c(CN[C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000289932789 498358023 /nfs/dbraw/zinc/35/80/23/498358023.db2.gz XZGKFJZSRKMMSP-QGZVFWFLSA-N 0 3 366.255 3.161 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291103148 498796229 /nfs/dbraw/zinc/79/62/29/498796229.db2.gz RREJXCVLIBVJDO-CQSZACIVSA-N 0 3 355.438 3.171 20 10 FGCDHN COc1ccc(O)c(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000291103148 498796237 /nfs/dbraw/zinc/79/62/37/498796237.db2.gz RREJXCVLIBVJDO-CQSZACIVSA-N 0 3 355.438 3.171 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000363868295 499031756 /nfs/dbraw/zinc/03/17/56/499031756.db2.gz RJBQTKINVQMKIT-HNAYVOBHSA-N 0 3 365.477 3.231 20 10 FGCDHN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000291807673 499074300 /nfs/dbraw/zinc/07/43/00/499074300.db2.gz COLKHHUNEVTOTG-NQIIRXRSSA-N 0 3 369.461 3.336 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000367319827 499180534 /nfs/dbraw/zinc/18/05/34/499180534.db2.gz XZADNSLAGNIRPR-NVXWUHKLSA-N 0 3 374.485 3.142 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000367319827 499180536 /nfs/dbraw/zinc/18/05/36/499180536.db2.gz XZADNSLAGNIRPR-NVXWUHKLSA-N 0 3 374.485 3.142 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367376460 499190996 /nfs/dbraw/zinc/19/09/96/499190996.db2.gz ATXLZXUNYYLGQS-XYJFISCASA-N 0 3 360.477 3.121 20 10 FGCDHN CC[C@H](c1ccccc1[O-])[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367376460 499190999 /nfs/dbraw/zinc/19/09/99/499190999.db2.gz ATXLZXUNYYLGQS-XYJFISCASA-N 0 3 360.477 3.121 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c1[O-] ZINC000367418267 499196611 /nfs/dbraw/zinc/19/66/11/499196611.db2.gz GSJUQYXRAVTQKT-HNNXBMFYSA-N 0 3 357.454 3.107 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3ccnc(COC)n3)C2)c1[O-] ZINC000367418267 499196613 /nfs/dbraw/zinc/19/66/13/499196613.db2.gz GSJUQYXRAVTQKT-HNNXBMFYSA-N 0 3 357.454 3.107 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370376154 499214511 /nfs/dbraw/zinc/21/45/11/499214511.db2.gz WWSMLAOEASCNPQ-SJLPKXTDSA-N 0 3 368.477 3.143 20 10 FGCDHN C[C@@H](NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1ncc[nH]1 ZINC000367601279 499216557 /nfs/dbraw/zinc/21/65/57/499216557.db2.gz NHEYMTWLDAPTDI-OLZOCXBDSA-N 0 3 354.376 3.485 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(Br)cc(F)c1[O-] ZINC000370400015 499216907 /nfs/dbraw/zinc/21/69/07/499216907.db2.gz WRTNWFORRGHUIB-KCJUWKMLSA-N 0 3 354.223 3.225 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000368329075 499285881 /nfs/dbraw/zinc/28/58/81/499285881.db2.gz CBXJFZSYPVEBFM-HNNXBMFYSA-N 0 3 354.450 3.362 20 10 FGCDHN CCc1nc(CN2CCCN(Cc3cccc(OC)c3O)CC2)cs1 ZINC000371373990 499316879 /nfs/dbraw/zinc/31/68/79/499316879.db2.gz PCYSBCGJPWLVNJ-UHFFFAOYSA-N 0 3 361.511 3.128 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000368810360 499335172 /nfs/dbraw/zinc/33/51/72/499335172.db2.gz NLTZCOIHORTJLY-OAHLLOKOSA-N 0 3 372.440 3.449 20 10 FGCDHN CCOCc1cc(CN[C@H]2CCCc3cnn(CCOC)c32)ccc1OC ZINC000371952242 499383735 /nfs/dbraw/zinc/38/37/35/499383735.db2.gz DMOLUBLEHQJUMA-IBGZPJMESA-N 0 3 373.497 3.242 20 10 FGCDHN CC[C@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccccc1[O-] ZINC000372234429 499411372 /nfs/dbraw/zinc/41/13/72/499411372.db2.gz YGCVFGVCSSCTEN-IBGZPJMESA-N 0 3 354.450 3.443 20 10 FGCDHN Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(C)c3O)CC2)no1 ZINC000373224823 499458494 /nfs/dbraw/zinc/45/84/94/499458494.db2.gz ZJBHNTCZRMZZRR-UHFFFAOYSA-N 0 3 363.845 3.045 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000375648946 499541279 /nfs/dbraw/zinc/54/12/79/499541279.db2.gz NLXMJYQRNXYVJM-QAPCUYQASA-N 0 3 353.466 3.119 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000376895195 499644218 /nfs/dbraw/zinc/64/42/18/499644218.db2.gz WAAAGDAKCBTSQO-CVEARBPZSA-N 0 3 353.466 3.119 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000377886715 499745545 /nfs/dbraw/zinc/74/55/45/499745545.db2.gz AGLCRHSQKUIPJJ-LBPRGKRZSA-N 0 3 350.260 3.186 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000377886715 499745546 /nfs/dbraw/zinc/74/55/46/499745546.db2.gz AGLCRHSQKUIPJJ-LBPRGKRZSA-N 0 3 350.260 3.186 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000472229592 502278697 /nfs/dbraw/zinc/27/86/97/502278697.db2.gz MAWKKJYUFYETAP-QGZVFWFLSA-N 0 3 354.498 3.303 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000529683543 503654217 /nfs/dbraw/zinc/65/42/17/503654217.db2.gz ZPJALPDWZBKDEU-UHFFFAOYSA-N 0 3 369.303 3.201 20 10 FGCDHN O=C(NCc1cc(Cl)ccc1[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528147325 504090932 /nfs/dbraw/zinc/09/09/32/504090932.db2.gz LBNFCYPQRRUBIU-MRXNPFEDSA-N 0 3 351.878 3.252 20 10 FGCDHN O=C(NCc1cc(Cl)ccc1[O-])NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528147325 504090934 /nfs/dbraw/zinc/09/09/34/504090934.db2.gz LBNFCYPQRRUBIU-MRXNPFEDSA-N 0 3 351.878 3.252 20 10 FGCDHN COc1cc(C)cc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1O ZINC000826178338 607846446 /nfs/dbraw/zinc/84/64/46/607846446.db2.gz TVXPVHBBERJHIN-UHFFFAOYSA-N 0 3 367.453 3.300 20 10 FGCDHN COc1cc(C)cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1O ZINC000826178338 607846447 /nfs/dbraw/zinc/84/64/47/607846447.db2.gz TVXPVHBBERJHIN-UHFFFAOYSA-N 0 3 367.453 3.300 20 10 FGCDHN COc1cc(C)cc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1O ZINC000826178338 607846448 /nfs/dbraw/zinc/84/64/48/607846448.db2.gz TVXPVHBBERJHIN-UHFFFAOYSA-N 0 3 367.453 3.300 20 10 FGCDHN COc1cc(C)cc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1O ZINC000826178338 607846449 /nfs/dbraw/zinc/84/64/49/607846449.db2.gz TVXPVHBBERJHIN-UHFFFAOYSA-N 0 3 367.453 3.300 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825395166 608286140 /nfs/dbraw/zinc/28/61/40/608286140.db2.gz LUMHJBYTSOWBKM-CQSZACIVSA-N 0 3 366.469 3.182 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825395166 608286142 /nfs/dbraw/zinc/28/61/42/608286142.db2.gz LUMHJBYTSOWBKM-CQSZACIVSA-N 0 3 366.469 3.182 20 10 FGCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824296851 608385286 /nfs/dbraw/zinc/38/52/86/608385286.db2.gz LAUXNPACYHAUOV-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824296851 608385288 /nfs/dbraw/zinc/38/52/88/608385288.db2.gz LAUXNPACYHAUOV-UHFFFAOYSA-N 0 3 368.460 3.482 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824618660 609138393 /nfs/dbraw/zinc/13/83/93/609138393.db2.gz QQJQUYJSJOPFPO-CYBMUJFWSA-N 0 3 366.444 3.239 20 10 FGCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000131429051 700815204 /nfs/dbraw/zinc/81/52/04/700815204.db2.gz GCWQJJDBPLZCIP-CABCVRRESA-N 0 3 350.459 3.326 20 10 FGCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000780567736 724480498 /nfs/dbraw/zinc/48/04/98/724480498.db2.gz QMWBQOMPLXUEHJ-OAHLLOKOSA-N 0 3 350.459 3.280 20 10 FGCDHN COc1ccc(N2CCN(CCNCc3ccccc3Cl)CC2)cc1 ZINC000742700645 722559141 /nfs/dbraw/zinc/55/91/41/722559141.db2.gz YYNFTNJFQDYCIL-UHFFFAOYSA-N 0 3 359.901 3.260 20 10 FGCDHN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000749287418 722723212 /nfs/dbraw/zinc/72/32/12/722723212.db2.gz HRKFEVIDXLXWKT-UHFFFAOYSA-N 0 3 374.275 3.375 20 10 FGCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c2c1c(F)ccc2[O-] ZINC000756469514 722965202 /nfs/dbraw/zinc/96/52/02/722965202.db2.gz JDEDQOITWLUQKG-ABAIWWIYSA-N 0 3 364.442 3.241 20 10 FGCDHN Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccccc3[O-])nc12 ZINC000757963845 722982090 /nfs/dbraw/zinc/98/20/90/722982090.db2.gz LANZWIOGMNAFOX-UHFFFAOYSA-N 0 3 360.255 3.443 20 10 FGCDHN CC(C)(C)CCN1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759589636 723010705 /nfs/dbraw/zinc/01/07/05/723010705.db2.gz CVOMWUVMBZXVLY-UHFFFAOYSA-N 0 3 370.588 3.389 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)c1[O-] ZINC000761205596 723132813 /nfs/dbraw/zinc/13/28/13/723132813.db2.gz GUVQHEFRWNYGHG-UHFFFAOYSA-N 0 3 356.894 3.033 20 10 FGCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000761432259 723153521 /nfs/dbraw/zinc/15/35/21/723153521.db2.gz KQCPLBUJVSHHDI-XJKSGUPXSA-N 0 3 358.511 3.004 20 10 FGCDHN COc1ccc(C[NH2+]Cc2cc(Br)cc(OC)c2O)c([O-])c1 ZINC000793385646 723432726 /nfs/dbraw/zinc/43/27/26/723432726.db2.gz DVLDQCQVYULIMD-UHFFFAOYSA-N 0 3 368.227 3.167 20 10 FGCDHN C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765995757 723550597 /nfs/dbraw/zinc/55/05/97/723550597.db2.gz WXXMFTXLQIQPHC-RVKKMQEKSA-N 0 3 352.906 3.415 20 10 FGCDHN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000766136280 723558015 /nfs/dbraw/zinc/55/80/15/723558015.db2.gz CSMZQMARHJHABK-RDTXWAMCSA-N 0 3 364.873 3.462 20 10 FGCDHN COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000795687202 723605761 /nfs/dbraw/zinc/60/57/61/723605761.db2.gz JQUUOGUYONRUSB-KRWDZBQOSA-N 0 3 353.340 3.473 20 10 FGCDHN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000795687202 723605763 /nfs/dbraw/zinc/60/57/63/723605763.db2.gz JQUUOGUYONRUSB-KRWDZBQOSA-N 0 3 353.340 3.473 20 10 FGCDHN CN1C(=O)C[C@@H](NCc2ccc3c(c2)CCO3)[C@H]1c1ccc(Cl)cc1 ZINC000768652418 723664298 /nfs/dbraw/zinc/66/42/98/723664298.db2.gz PPTGJLCZYWMEBW-YLJYHZDGSA-N 0 3 356.853 3.337 20 10 FGCDHN CN(C)c1ccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000769334041 723682766 /nfs/dbraw/zinc/68/27/66/723682766.db2.gz NHVGNDJUBMRWQD-OAHLLOKOSA-N 0 3 351.466 3.333 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000773042819 723775130 /nfs/dbraw/zinc/77/51/30/723775130.db2.gz XCCWKQVAAIKBOW-HNNXBMFYSA-N 0 3 358.507 3.323 20 10 FGCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCc2sccc2C1 ZINC000774486628 723899297 /nfs/dbraw/zinc/89/92/97/723899297.db2.gz WNRQDOGCSOBLSH-LSDHHAIUSA-N 0 3 357.523 3.438 20 10 FGCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500122 723996386 /nfs/dbraw/zinc/99/63/86/723996386.db2.gz WKSAJTFNKZSRPM-YJBOKZPZSA-N 0 3 353.938 3.360 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000784643248 724869630 /nfs/dbraw/zinc/86/96/30/724869630.db2.gz JAIHHNDAKSXMAD-NWDGAFQWSA-N 0 3 358.276 3.458 20 10 FGCDHN CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213096 725297146 /nfs/dbraw/zinc/29/71/46/725297146.db2.gz LPKANLQDBAYVIM-MRXNPFEDSA-N 0 3 360.420 3.299 20 10 FGCDHN COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000811499239 725369718 /nfs/dbraw/zinc/36/97/18/725369718.db2.gz KUKPFSOATRPTQI-OAHLLOKOSA-N 0 3 352.475 3.430 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1[O-] ZINC000812773865 726809268 /nfs/dbraw/zinc/80/92/68/726809268.db2.gz WXDCMCGOQSIFED-UHFFFAOYSA-N 0 3 364.287 3.365 20 10 FGCDHN Cc1cccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000814177614 726945144 /nfs/dbraw/zinc/94/51/44/726945144.db2.gz ILIQFBBYTIHRIL-OAHLLOKOSA-N 0 3 354.219 3.425 20 10 FGCDHN CCN1CCC([N@@H+]2CCCN(Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000817413723 727248897 /nfs/dbraw/zinc/24/88/97/727248897.db2.gz BTUFRXQBQYGASM-UHFFFAOYSA-N 0 3 369.912 3.177 20 10 FGCDHN CCN1CCC([N@H+]2CCCN(Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000817413723 727248899 /nfs/dbraw/zinc/24/88/99/727248899.db2.gz BTUFRXQBQYGASM-UHFFFAOYSA-N 0 3 369.912 3.177 20 10 FGCDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(Br)cc(C)c2[O-])C1 ZINC000826902971 729418504 /nfs/dbraw/zinc/41/85/04/729418504.db2.gz NIBOFZUPRDNDOL-DAXOMENPSA-N 0 3 372.303 3.119 20 10 FGCDHN C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000834585219 729816389 /nfs/dbraw/zinc/81/63/89/729816389.db2.gz JKPKRRJBCHXMCP-RHSMWYFYSA-N 0 3 360.889 3.021 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1[O-] ZINC000840971267 730198926 /nfs/dbraw/zinc/19/89/26/730198926.db2.gz KSAWXGUIFSLTTK-YPMHNXCESA-N 0 3 350.203 3.101 20 10 FGCDHN COc1ccc(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000843406339 730615913 /nfs/dbraw/zinc/61/59/13/730615913.db2.gz HIAIMMUDOXQPQL-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CNc3ccccc3C2)c1[O-] ZINC000844907813 730787915 /nfs/dbraw/zinc/78/79/15/730787915.db2.gz OCHOMVFRFNAWGI-AWEZNQCLSA-N 0 3 363.255 3.290 20 10 FGCDHN CCC(C)(C)N1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000847336089 731047584 /nfs/dbraw/zinc/04/75/84/731047584.db2.gz NEGLHWSRBHCQNA-UHFFFAOYSA-N 0 3 356.561 3.141 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cccn2)c1[O-] ZINC000848517511 731174292 /nfs/dbraw/zinc/17/42/92/731174292.db2.gz DZSSOELUNKFMQK-LLVKDONJSA-N 0 3 354.248 3.101 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1[O-] ZINC000848548072 731179472 /nfs/dbraw/zinc/17/94/72/731179472.db2.gz ULLNFWSDQBXYFZ-JQWIXIFHSA-N 0 3 366.259 3.025 20 10 FGCDHN COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])[C@@H]1CCCO1 ZINC000848549009 731179782 /nfs/dbraw/zinc/17/97/82/731179782.db2.gz IXSJAASBOPMAND-BPNCWPANSA-N 0 3 374.275 3.008 20 10 FGCDHN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc3c(cc2O)CCC3)C1 ZINC000853529929 731718771 /nfs/dbraw/zinc/71/87/71/731718771.db2.gz RXCSYJZTHUZVCH-CABCVRRESA-N 0 3 357.372 3.054 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1[O-] ZINC000862468522 732838787 /nfs/dbraw/zinc/83/87/87/732838787.db2.gz KGGUOCXQMWNLMR-ZDUSSCGKSA-N 0 3 363.246 3.282 20 10 FGCDHN COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c(OC)cc1Cl ZINC000879651068 737023463 /nfs/dbraw/zinc/02/34/63/737023463.db2.gz GJXKIUOCQHQXQP-NSHDSACASA-N 0 3 364.829 3.352 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCC(F)(F)C2)N(C)C)cc1 ZINC000891248321 739885794 /nfs/dbraw/zinc/88/57/94/739885794.db2.gz KOVBECRLTQZSGQ-RHSMWYFYSA-N 0 3 353.457 3.297 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCCC2(F)F)N(C)C)cc1 ZINC000891243156 739886029 /nfs/dbraw/zinc/88/60/29/739886029.db2.gz JPELBYCAMNFNBE-WBVHZDCISA-N 0 3 353.457 3.297 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)c2scnc2C2CC2)N(C)C)cc1 ZINC000891249730 739886413 /nfs/dbraw/zinc/88/64/13/739886413.db2.gz WBDIWBXXTWEHQL-INIZCTEOSA-N 0 3 358.511 3.119 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1[O-] ZINC000895822579 742457600 /nfs/dbraw/zinc/45/76/00/742457600.db2.gz ORFIVVHAAMGIJY-SJECXTJVSA-N 0 3 355.862 3.116 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c1[O-] ZINC000903372054 743841624 /nfs/dbraw/zinc/84/16/24/743841624.db2.gz HJEZWDOQSLOLMJ-ZDUSSCGKSA-N 0 3 355.862 3.053 20 10 FGCDHN O=S(=O)(Nc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1)C1CC1 ZINC000903425499 743849307 /nfs/dbraw/zinc/84/93/07/743849307.db2.gz HCCWCJHSBAXGGS-QGZVFWFLSA-N 0 3 358.463 3.073 20 10 FGCDHN C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1cc(F)ccc1[O-] ZINC000903481351 743856038 /nfs/dbraw/zinc/85/60/38/743856038.db2.gz ZJNKLGQLKGLDNR-ONGXEEELSA-N 0 3 354.223 3.156 20 10 FGCDHN Cc1cc(CC(=O)N2CCCN(C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000916741585 758124618 /nfs/dbraw/zinc/12/46/18/758124618.db2.gz KHYGRRITIUGFPR-UHFFFAOYSA-N 0 3 359.901 3.454 20 10 FGCDHN C[NH+](C)CC[C@H](NCc1c([O-])cccc1Br)c1cccnc1 ZINC000922630784 758965328 /nfs/dbraw/zinc/96/53/28/758965328.db2.gz BLEVILGCKQSIOA-INIZCTEOSA-N 0 3 364.287 3.332 20 10 FGCDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)cn1 ZINC000925160657 759456941 /nfs/dbraw/zinc/45/69/41/759456941.db2.gz MLRRFHLOCLUNML-KGLIPLIRSA-N 0 3 350.413 3.341 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1[O-] ZINC000779031612 724382487 /nfs/dbraw/zinc/38/24/87/724382487.db2.gz KLSCPXXAQPGNHJ-XSRFYTQQSA-N 0 3 355.276 3.158 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1[O-] ZINC000779035812 724383236 /nfs/dbraw/zinc/38/32/36/724383236.db2.gz IZLVXDZZKLNGHT-DLXBUUHESA-N 0 3 367.287 3.123 20 10 FGCDHN COCCOc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000151061485 495726042 /nfs/dbraw/zinc/72/60/42/495726042.db2.gz SDQZVQUVCQCNHH-GOSISDBHSA-N 0 3 370.493 3.399 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000154874462 495756814 /nfs/dbraw/zinc/75/68/14/495756814.db2.gz QIRCBWYOXWZKJI-UHFFFAOYSA-N 0 3 350.459 3.280 20 10 FGCDHN O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179934108 495790249 /nfs/dbraw/zinc/79/02/49/495790249.db2.gz RNGHENUFAWHLOR-UHFFFAOYSA-N 0 3 360.404 3.199 20 10 FGCDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186021810 495824449 /nfs/dbraw/zinc/82/44/49/495824449.db2.gz SSJJSURTVQHIFF-IAQYHMDHSA-N 0 3 356.388 3.085 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(NS(C)(=O)=O)cc1 ZINC000171379150 495846282 /nfs/dbraw/zinc/84/62/82/495846282.db2.gz TVDDEWFUQOHFDS-OAHLLOKOSA-N 0 3 373.522 3.291 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000186190806 495890155 /nfs/dbraw/zinc/89/01/55/495890155.db2.gz ASSASIBSGQDZBR-DOTOQJQBSA-N 0 3 354.450 3.100 20 10 FGCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])CC2 ZINC000187146757 496312601 /nfs/dbraw/zinc/31/26/01/496312601.db2.gz QAJMOFWVDJIMQT-ZWNOBZJWSA-N 0 3 365.275 3.029 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)c1ccc(F)c(F)c1[O-] ZINC000187911366 496617145 /nfs/dbraw/zinc/61/71/45/496617145.db2.gz UHRYWNNNPMWAAL-CJNGLKHVSA-N 0 3 362.420 3.088 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000185082875 496651074 /nfs/dbraw/zinc/65/10/74/496651074.db2.gz BHKFCNXHHAFIFB-INIZCTEOSA-N 0 3 368.477 3.251 20 10 FGCDHN Cc1ccc([C@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c(O)c1C ZINC000273298388 496766882 /nfs/dbraw/zinc/76/68/82/496766882.db2.gz ASBHPDNPLVEKRP-HNNXBMFYSA-N 0 3 362.495 3.110 20 10 FGCDHN C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273449223 496808973 /nfs/dbraw/zinc/80/89/73/496808973.db2.gz FQLAIUGAPWJBMF-CQSZACIVSA-N 0 3 356.426 3.263 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248713397 497085336 /nfs/dbraw/zinc/08/53/36/497085336.db2.gz DHZNQJXGUNIKLC-PKOBYXMFSA-N 0 3 366.461 3.225 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248713397 497085340 /nfs/dbraw/zinc/08/53/40/497085340.db2.gz DHZNQJXGUNIKLC-PKOBYXMFSA-N 0 3 366.461 3.225 20 10 FGCDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000192726674 497196837 /nfs/dbraw/zinc/19/68/37/497196837.db2.gz ZISCSMPBWSQGON-HNNXBMFYSA-N 0 3 361.511 3.031 20 10 FGCDHN O=C1c2ccccc2C(=O)N1C1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000275653180 497393625 /nfs/dbraw/zinc/39/36/25/497393625.db2.gz WOLLDZMGEDRDCA-UHFFFAOYSA-N 0 3 350.418 3.089 20 10 FGCDHN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000271795594 497452729 /nfs/dbraw/zinc/45/27/29/497452729.db2.gz HUFQULCFLLSDKY-RBZFPXEDSA-N 0 3 361.438 3.284 20 10 FGCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000271984655 497503453 /nfs/dbraw/zinc/50/34/53/497503453.db2.gz KLBYQPOKCQFSTQ-IBGZPJMESA-N 0 3 355.434 3.071 20 10 FGCDHN C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000276211743 497521478 /nfs/dbraw/zinc/52/14/78/497521478.db2.gz KUZMBWCWZMVKFU-ZDUSSCGKSA-N 0 3 364.383 3.091 20 10 FGCDHN CCOc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000276949389 497695881 /nfs/dbraw/zinc/69/58/81/497695881.db2.gz BRBOMLJORHKTOA-UHFFFAOYSA-N 0 3 369.870 3.138 20 10 FGCDHN C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000277019197 497717835 /nfs/dbraw/zinc/71/78/35/497717835.db2.gz DBTMSJZPHOSLSG-OAHLLOKOSA-N 0 3 352.482 3.381 20 10 FGCDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1CO)c1ccc(N2CCOCC2)cc1 ZINC000364584180 498035950 /nfs/dbraw/zinc/03/59/50/498035950.db2.gz VLIHWOLFBBXVJP-KPDCDPCYSA-N 0 3 366.505 3.470 20 10 FGCDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)COCC(F)(F)F ZINC000292494489 498036323 /nfs/dbraw/zinc/03/63/23/498036323.db2.gz BRSZGCIHSPRQKL-QGZVFWFLSA-N 0 3 360.420 3.049 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000364622612 498054599 /nfs/dbraw/zinc/05/45/99/498054599.db2.gz LIWJDPJZVWACQW-FQEVSTJZSA-N 0 3 373.541 3.110 20 10 FGCDHN Cc1nn(C(C)C)cc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000281228772 498065424 /nfs/dbraw/zinc/06/54/24/498065424.db2.gz DPJBTSVFHYAEIY-UHFFFAOYSA-N 0 3 356.514 3.271 20 10 FGCDHN COc1cc(O)c(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000289401038 498134348 /nfs/dbraw/zinc/13/43/48/498134348.db2.gz GOZWZUVAWIOTRE-GFCCVEGCSA-N 0 3 356.422 3.145 20 10 FGCDHN COc1cc([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000289401038 498134354 /nfs/dbraw/zinc/13/43/54/498134354.db2.gz GOZWZUVAWIOTRE-GFCCVEGCSA-N 0 3 356.422 3.145 20 10 FGCDHN CC[C@H]([NH2+]C[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccccc1[O-] ZINC000290308982 498503965 /nfs/dbraw/zinc/50/39/65/498503965.db2.gz ZOGOMWDSJHBSEV-UWJYYQICSA-N 0 3 359.466 3.444 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000365702177 498604332 /nfs/dbraw/zinc/60/43/32/498604332.db2.gz LMMOGBVTGCPUMD-JOCHJYFZSA-N 0 3 366.461 3.226 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000365702177 498604337 /nfs/dbraw/zinc/60/43/37/498604337.db2.gz LMMOGBVTGCPUMD-JOCHJYFZSA-N 0 3 366.461 3.226 20 10 FGCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828036 498658499 /nfs/dbraw/zinc/65/84/99/498658499.db2.gz TZTNSNKGCOFWSM-MAUKXSAKSA-N 0 3 371.437 3.092 20 10 FGCDHN [O-]c1cccc(Cl)c1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000294942286 498857250 /nfs/dbraw/zinc/85/72/50/498857250.db2.gz CSMSBVLWTVHKBW-KRWDZBQOSA-N 0 3 360.885 3.292 20 10 FGCDHN [O-]c1cccc(Cl)c1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000294942286 498857255 /nfs/dbraw/zinc/85/72/55/498857255.db2.gz CSMSBVLWTVHKBW-KRWDZBQOSA-N 0 3 360.885 3.292 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cc(F)ccc1[O-] ZINC000363850438 499023728 /nfs/dbraw/zinc/02/37/28/499023728.db2.gz HKDSESKUFSCNMY-PBHICJAKSA-N 0 3 366.440 3.379 20 10 FGCDHN CN1C(=O)CSC12CCN(Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000363870649 499033902 /nfs/dbraw/zinc/03/39/02/499033902.db2.gz WMSLONFUZNNQAF-UHFFFAOYSA-N 0 3 359.539 3.174 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1 ZINC000372597136 499151346 /nfs/dbraw/zinc/15/13/46/499151346.db2.gz XGAJVIUFCCDRBM-KDOFPFPSSA-N 0 3 358.482 3.185 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370376153 499214688 /nfs/dbraw/zinc/21/46/88/499214688.db2.gz WWSMLAOEASCNPQ-FUHWJXTLSA-N 0 3 368.477 3.143 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3ccoc3C)CC2)c1 ZINC000370769449 499252797 /nfs/dbraw/zinc/25/27/97/499252797.db2.gz BIYBCUSBGAMKNU-UHFFFAOYSA-N 0 3 358.438 3.087 20 10 FGCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1OCCc2sccc21 ZINC000368372079 499289675 /nfs/dbraw/zinc/28/96/75/499289675.db2.gz ZRWMEUAADVYEQG-YWZLYKJASA-N 0 3 358.507 3.377 20 10 FGCDHN CC(C)N1CCN([C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000371333915 499311807 /nfs/dbraw/zinc/31/18/07/499311807.db2.gz FMSBHTYFJQKOEW-IBGZPJMESA-N 0 3 353.510 3.146 20 10 FGCDHN CC(C)N1CCN([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC000371333915 499311809 /nfs/dbraw/zinc/31/18/09/499311809.db2.gz FMSBHTYFJQKOEW-IBGZPJMESA-N 0 3 353.510 3.146 20 10 FGCDHN COc1ccc([C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C2CCOCC2)cc1 ZINC000371357829 499315081 /nfs/dbraw/zinc/31/50/81/499315081.db2.gz RJVUWAIQLDZVTG-NRFANRHFSA-N 0 3 371.433 3.387 20 10 FGCDHN COCCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CCCc2cccnc21 ZINC000372236064 499411744 /nfs/dbraw/zinc/41/17/44/499411744.db2.gz KYJICRRUGZEEPJ-QGZVFWFLSA-N 0 3 372.465 3.330 20 10 FGCDHN c1c2ccccc2nn1[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000378572551 499533112 /nfs/dbraw/zinc/53/31/12/499533112.db2.gz CJXPXIJJRFELHM-OAQYLSRUSA-N 0 3 362.477 3.320 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000375648944 499541343 /nfs/dbraw/zinc/54/13/43/499541343.db2.gz NLXMJYQRNXYVJM-CRAIPNDOSA-N 0 3 353.466 3.119 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000376320983 499600445 /nfs/dbraw/zinc/60/04/45/499600445.db2.gz KSJSPIXFUBMVRS-MAUKXSAKSA-N 0 3 353.466 3.201 20 10 FGCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000376895204 499644213 /nfs/dbraw/zinc/64/42/13/499644213.db2.gz WAAAGDAKCBTSQO-JKSUJKDBSA-N 0 3 353.466 3.119 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1OCCN(C)C ZINC000471224001 501960119 /nfs/dbraw/zinc/96/01/19/501960119.db2.gz LDXSZAWOFBFEKE-UHFFFAOYSA-N 0 3 365.477 3.357 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)NCC3(N(C)C)CCC3)ccc21 ZINC000474096812 502807829 /nfs/dbraw/zinc/80/78/29/502807829.db2.gz JUTBGBFBWWIVTH-UHFFFAOYSA-N 0 3 357.498 3.119 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)NC3(CN(C)C)CCC3)ccc21 ZINC000508643561 503536088 /nfs/dbraw/zinc/53/60/88/503536088.db2.gz LBGDPJQKPYYIOL-UHFFFAOYSA-N 0 3 357.498 3.119 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CCN(C4CC4)C3)ccc21 ZINC000518428233 503982053 /nfs/dbraw/zinc/98/20/53/503982053.db2.gz OPOOTOXPRRVOAV-LJQANCHMSA-N 0 3 369.509 3.213 20 10 FGCDHN COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000527963476 504017910 /nfs/dbraw/zinc/01/79/10/504017910.db2.gz ADQRJNQBKVZHFI-RDJZCZTQSA-N 0 3 356.466 3.335 20 10 FGCDHN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000736818513 599103981 /nfs/dbraw/zinc/10/39/81/599103981.db2.gz RTRBLAWXVXELGH-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000736818513 599103983 /nfs/dbraw/zinc/10/39/83/599103983.db2.gz RTRBLAWXVXELGH-UHFFFAOYSA-N 0 3 362.481 3.489 20 10 FGCDHN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@H](CN3CCCC3)C2)c1O ZINC000740095555 600559782 /nfs/dbraw/zinc/55/97/82/600559782.db2.gz BJFZLMIECWXJHU-OAHLLOKOSA-N 0 3 354.450 3.161 20 10 FGCDHN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@H](CN3CCCC3)C2)c1O ZINC000740095555 600559783 /nfs/dbraw/zinc/55/97/83/600559783.db2.gz BJFZLMIECWXJHU-OAHLLOKOSA-N 0 3 354.450 3.161 20 10 FGCDHN O=C([O-])c1cc2ccccc2c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000740095555 600559786 /nfs/dbraw/zinc/55/97/86/600559786.db2.gz BJFZLMIECWXJHU-OAHLLOKOSA-N 0 3 354.450 3.161 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000825147676 608286123 /nfs/dbraw/zinc/28/61/23/608286123.db2.gz LGRZJQBEYWTOGG-SFHVURJKSA-N 0 3 366.469 3.182 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000825147676 608286125 /nfs/dbraw/zinc/28/61/25/608286125.db2.gz LGRZJQBEYWTOGG-SFHVURJKSA-N 0 3 366.469 3.182 20 10 FGCDHN C[C@@H](NC[C@H](O)c1ccco1)c1ccc(N2CCOCC2)cc1Cl ZINC000125147504 700731041 /nfs/dbraw/zinc/73/10/41/700731041.db2.gz MXCLPVXJFAGWMM-DYVFJYSZSA-N 0 3 350.846 3.154 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000136496172 704862090 /nfs/dbraw/zinc/86/20/90/704862090.db2.gz QIHRWOXVJBGFHB-CQSZACIVSA-N 0 3 355.356 3.232 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000154905677 705054521 /nfs/dbraw/zinc/05/45/21/705054521.db2.gz RRJFIIKBWLMGDC-OAHLLOKOSA-N 0 3 350.459 3.280 20 10 FGCDHN COc1cc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160365073 705251205 /nfs/dbraw/zinc/25/12/05/705251205.db2.gz FEHNFUMGBAUOTK-OAHLLOKOSA-N 0 3 350.459 3.150 20 10 FGCDHN COc1cc(C)cc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000164462575 705329118 /nfs/dbraw/zinc/32/91/18/705329118.db2.gz PXZVKBPNEOJWLV-HNNXBMFYSA-N 0 3 350.459 3.150 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000182451269 705844007 /nfs/dbraw/zinc/84/40/07/705844007.db2.gz TVVGKDJHQURXGW-VIFPVBQESA-N 0 3 354.328 3.107 20 10 FGCDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000794717032 723542480 /nfs/dbraw/zinc/54/24/80/723542480.db2.gz WNWZRKGOZBPFNQ-QGZVFWFLSA-N 0 3 363.255 3.005 20 10 FGCDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000794717032 723542482 /nfs/dbraw/zinc/54/24/82/723542482.db2.gz WNWZRKGOZBPFNQ-QGZVFWFLSA-N 0 3 363.255 3.005 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccncc2)c1[O-] ZINC000749295386 722723477 /nfs/dbraw/zinc/72/34/77/722723477.db2.gz MCEKPEQQMHHVGR-NSHDSACASA-N 0 3 351.244 3.279 20 10 FGCDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(N(C)C)cc2C)cc1 ZINC000756585617 722967277 /nfs/dbraw/zinc/96/72/77/722967277.db2.gz LASMIQRQQXAWRP-QGZVFWFLSA-N 0 3 360.523 3.321 20 10 FGCDHN CN(C)c1ccc([C@@H](CNCC2(F)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000793038558 723394732 /nfs/dbraw/zinc/39/47/32/723394732.db2.gz RVSYAPRYVSXXBP-MRXNPFEDSA-N 0 3 351.466 3.410 20 10 FGCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000766027924 723551936 /nfs/dbraw/zinc/55/19/36/723551936.db2.gz BBCJFCBXNGGUAF-OAHLLOKOSA-N 0 3 361.511 3.283 20 10 FGCDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000766136279 723558033 /nfs/dbraw/zinc/55/80/33/723558033.db2.gz CSMZQMARHJHABK-KSSFIOAISA-N 0 3 364.873 3.462 20 10 FGCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000768650960 723664320 /nfs/dbraw/zinc/66/43/20/723664320.db2.gz HUJTUFXFIKCLOF-QUCCMNQESA-N 0 3 357.885 3.468 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769424050 723685250 /nfs/dbraw/zinc/68/52/50/723685250.db2.gz QOUKIMDLUWZQEA-DZGCQCFKSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769424050 723685251 /nfs/dbraw/zinc/68/52/51/723685251.db2.gz QOUKIMDLUWZQEA-DZGCQCFKSA-N 0 3 350.459 3.136 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1[O-] ZINC000808705970 725214362 /nfs/dbraw/zinc/21/43/62/725214362.db2.gz VUPWGGFLJPFDLM-JOYOIKCWSA-N 0 3 350.768 3.168 20 10 FGCDHN CCCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000809690918 725258960 /nfs/dbraw/zinc/25/89/60/725258960.db2.gz FQLGSVQOORXIKW-INIZCTEOSA-N 0 3 350.459 3.282 20 10 FGCDHN CC[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208026 725296813 /nfs/dbraw/zinc/29/68/13/725296813.db2.gz RLLLHMYNCJQEHB-INIZCTEOSA-N 0 3 359.436 3.089 20 10 FGCDHN Cc1cnn([C@H]2CCN(Cc3cc(Br)cc(C)c3O)C2)c1 ZINC000811519563 725372307 /nfs/dbraw/zinc/37/23/07/725372307.db2.gz AVQKOKOAPMKIRL-HNNXBMFYSA-N 0 3 350.260 3.415 20 10 FGCDHN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000816511158 727169780 /nfs/dbraw/zinc/16/97/80/727169780.db2.gz PZDANWIRLHAGBY-OAHLLOKOSA-N 0 3 352.356 3.140 20 10 FGCDHN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000816511158 727169781 /nfs/dbraw/zinc/16/97/81/727169781.db2.gz PZDANWIRLHAGBY-OAHLLOKOSA-N 0 3 352.356 3.140 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133481 729372272 /nfs/dbraw/zinc/37/22/72/729372272.db2.gz HGFYIGSMCXRFJM-MRXNPFEDSA-N 0 3 356.260 3.166 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263966 729376102 /nfs/dbraw/zinc/37/61/02/729376102.db2.gz XIGKAGLIQUIAAF-UONOGXRCSA-N 0 3 350.459 3.184 20 10 FGCDHN O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834799135 729835170 /nfs/dbraw/zinc/83/51/70/729835170.db2.gz WJRVROFNRDOMRU-ZIAGYGMSSA-N 0 3 356.388 3.303 20 10 FGCDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834880683 729841917 /nfs/dbraw/zinc/84/19/17/729841917.db2.gz NQURWOPEMMMJOP-SLEUVZQESA-N 0 3 358.276 3.165 20 10 FGCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000840941779 730194678 /nfs/dbraw/zinc/19/46/78/730194678.db2.gz LPIGJNWBNYMILG-UHFFFAOYSA-N 0 3 366.914 3.408 20 10 FGCDHN CCCN(CCC)c1ccc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 ZINC000850368954 731349123 /nfs/dbraw/zinc/34/91/23/731349123.db2.gz QFWAUGGTCRUOTQ-AEFFLSMTSA-N 0 3 352.544 3.368 20 10 FGCDHN O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cc([O-])cs1 ZINC000856169958 731991044 /nfs/dbraw/zinc/99/10/44/731991044.db2.gz WGPCSNQBZSZTRA-MRXNPFEDSA-N 0 3 356.491 3.486 20 10 FGCDHN O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc([O-])cs1 ZINC000856169958 731991046 /nfs/dbraw/zinc/99/10/46/731991046.db2.gz WGPCSNQBZSZTRA-MRXNPFEDSA-N 0 3 356.491 3.486 20 10 FGCDHN COC(=O)c1cnc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)s1 ZINC000859548641 732348159 /nfs/dbraw/zinc/34/81/59/732348159.db2.gz HAOMEUOKXZVKRW-UHFFFAOYSA-N 0 3 359.495 3.375 20 10 FGCDHN Cc1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c(O)c1 ZINC000877546871 736682311 /nfs/dbraw/zinc/68/23/11/736682311.db2.gz XQIQHKAKIAQMEG-OAHLLOKOSA-N 0 3 354.219 3.425 20 10 FGCDHN Cc1cc(Cl)cc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1O ZINC000877691680 736706448 /nfs/dbraw/zinc/70/64/48/736706448.db2.gz OLVIZDDLCGXPLV-KRWDZBQOSA-N 0 3 350.802 3.260 20 10 FGCDHN COc1ccc(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c([O-])c1 ZINC000894638160 742312444 /nfs/dbraw/zinc/31/24/44/742312444.db2.gz QESUNXSUNDSKDG-GFCCVEGCSA-N 0 3 360.401 3.039 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1[O-] ZINC000897050254 742636570 /nfs/dbraw/zinc/63/65/70/742636570.db2.gz PUYCGXMYTHXQRL-ZSOGYDGISA-N 0 3 356.260 3.235 20 10 FGCDHN COc1ccc(O)c(CN[C@@](C)(CO)c2cccc(Br)c2)c1 ZINC000898168516 742752119 /nfs/dbraw/zinc/75/21/19/742752119.db2.gz IAESQIAWFCVHDF-KRWDZBQOSA-N 0 3 366.255 3.161 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCNc2ncccn2)c1[O-] ZINC000779027688 724382429 /nfs/dbraw/zinc/38/24/29/724382429.db2.gz SLLDTBNVDLISLK-GFCCVEGCSA-N 0 3 365.275 3.406 20 10 FGCDHN CC(=O)Nc1ccccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000121321986 494700798 /nfs/dbraw/zinc/70/07/98/494700798.db2.gz HOILVTVUVIMGHF-UHFFFAOYSA-N 0 3 353.466 3.114 20 10 FGCDHN C[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000130429649 495391079 /nfs/dbraw/zinc/39/10/79/495391079.db2.gz ROBMPKSXIYTVNR-VBKZILBWSA-N 0 3 362.420 3.186 20 10 FGCDHN CCN(C)c1ccc([C@H](C)NCc2cccnc2N2CCOCC2)cc1 ZINC000151234693 495780434 /nfs/dbraw/zinc/78/04/34/495780434.db2.gz FIJCMYUKBCSUMH-KRWDZBQOSA-N 0 3 354.498 3.225 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1OC ZINC000160299985 495930233 /nfs/dbraw/zinc/93/02/33/495930233.db2.gz GDUVMVGBPPPQAY-QGZVFWFLSA-N 0 3 357.450 3.448 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1OC ZINC000160299985 495930240 /nfs/dbraw/zinc/93/02/40/495930240.db2.gz GDUVMVGBPPPQAY-QGZVFWFLSA-N 0 3 357.450 3.448 20 10 FGCDHN Cc1nn(C)c(C)c1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174622445 496035648 /nfs/dbraw/zinc/03/56/48/496035648.db2.gz RNELZWMSMINJIH-HNNXBMFYSA-N 0 3 364.440 3.397 20 10 FGCDHN COc1cccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161367105 496160810 /nfs/dbraw/zinc/16/08/10/496160810.db2.gz AUXDXKSKUXKVKB-YCRPNKLZSA-N 0 3 374.456 3.055 20 10 FGCDHN C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000163703523 496548207 /nfs/dbraw/zinc/54/82/07/496548207.db2.gz YXYXVYMHOKHQTO-GOSISDBHSA-N 0 3 353.510 3.436 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000185109486 496664761 /nfs/dbraw/zinc/66/47/61/496664761.db2.gz ISPIEHYJDPWUSB-GJZGRUSLSA-N 0 3 362.495 3.363 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000273274277 496760656 /nfs/dbraw/zinc/76/06/56/496760656.db2.gz OZLRRYLRXBDCDX-DYESRHJHSA-N 0 3 366.509 3.380 20 10 FGCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000273274282 496760667 /nfs/dbraw/zinc/76/06/67/496760667.db2.gz OZLRRYLRXBDCDX-UWJYYQICSA-N 0 3 366.509 3.380 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000277519426 496800394 /nfs/dbraw/zinc/80/03/94/496800394.db2.gz PDHOUPNHBZWBAB-XJKSGUPXSA-N 0 3 350.459 3.136 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000268923987 496824470 /nfs/dbraw/zinc/82/44/70/496824470.db2.gz VPWYNTZVOWWZRD-VFNWGFHPSA-N 0 3 364.493 3.242 20 10 FGCDHN COc1cccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)c1O ZINC000264235885 496847002 /nfs/dbraw/zinc/84/70/02/496847002.db2.gz APKSHYZFLRCVAO-UHFFFAOYSA-N 0 3 354.450 3.317 20 10 FGCDHN COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000278430991 497111598 /nfs/dbraw/zinc/11/15/98/497111598.db2.gz UWQVSBCALNSACF-UEXGIBASSA-N 0 3 373.493 3.368 20 10 FGCDHN COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000278430991 497111604 /nfs/dbraw/zinc/11/16/04/497111604.db2.gz UWQVSBCALNSACF-UEXGIBASSA-N 0 3 373.493 3.368 20 10 FGCDHN CN(C)c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237127108 497194803 /nfs/dbraw/zinc/19/48/03/497194803.db2.gz SPYICMXMSBDJIW-UHFFFAOYSA-N 0 3 365.437 3.351 20 10 FGCDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H](O)c1c(F)cccc1F ZINC000266297365 497298190 /nfs/dbraw/zinc/29/81/90/497298190.db2.gz LNIIDUYOUKZDBT-UGSOOPFHSA-N 0 3 351.349 3.001 20 10 FGCDHN CCO[C@H]1C[C@](N)(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000275478681 497339426 /nfs/dbraw/zinc/33/94/26/497339426.db2.gz JALLFEZCGPRFOB-UGKGYDQZSA-N 0 3 373.541 3.168 20 10 FGCDHN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1=CCN(C)CC1 ZINC000272744197 497718253 /nfs/dbraw/zinc/71/82/53/497718253.db2.gz DDTQYHGWNJNMKU-GOSISDBHSA-N 0 3 370.541 3.469 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411782 497944137 /nfs/dbraw/zinc/94/41/37/497944137.db2.gz CDBISTPQCSWAND-LSDHHAIUSA-N 0 3 355.438 3.208 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411782 497944143 /nfs/dbraw/zinc/94/41/43/497944143.db2.gz CDBISTPQCSWAND-LSDHHAIUSA-N 0 3 355.438 3.208 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000280968331 497969290 /nfs/dbraw/zinc/96/92/90/497969290.db2.gz IGFGBFQAZXZZHZ-PRWKNARSSA-N 0 3 360.317 3.415 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000280968310 497969697 /nfs/dbraw/zinc/96/96/97/497969697.db2.gz IGFGBFQAZXZZHZ-GIPWTMENSA-N 0 3 360.317 3.415 20 10 FGCDHN CC(=O)N1CCC(N(Cc2cncs2)Cc2cc(C)ccc2O)CC1 ZINC000292680035 498107699 /nfs/dbraw/zinc/10/76/99/498107699.db2.gz APZMUBQSJGVXAP-UHFFFAOYSA-N 0 3 359.495 3.170 20 10 FGCDHN O=C1NC2(CCCC2)C(=O)N1c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000289772528 498286545 /nfs/dbraw/zinc/28/65/45/498286545.db2.gz JUIGEMFPHBEIAT-UHFFFAOYSA-N 0 3 365.433 3.051 20 10 FGCDHN COC1CCN(c2ccc(CN(C)[C@@H](CO)c3ccccc3)cc2)CC1 ZINC000297138451 498330202 /nfs/dbraw/zinc/33/02/02/498330202.db2.gz NKRBXRQCAYISHN-QFIPXVFZSA-N 0 3 354.494 3.467 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000293540936 498408530 /nfs/dbraw/zinc/40/85/30/498408530.db2.gz GATKRTYTCPCGEP-DLBZAZTESA-N 0 3 356.869 3.042 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000293540936 498408538 /nfs/dbraw/zinc/40/85/38/498408538.db2.gz GATKRTYTCPCGEP-DLBZAZTESA-N 0 3 356.869 3.042 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c([O-])c1 ZINC000293637154 498436173 /nfs/dbraw/zinc/43/61/73/498436173.db2.gz HWBGXOISNBRUPQ-QGZVFWFLSA-N 0 3 354.498 3.007 20 10 FGCDHN CCOCc1cc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1OC ZINC000365669180 498589448 /nfs/dbraw/zinc/58/94/48/498589448.db2.gz SDMGUBTWOJYXJP-PMACEKPBSA-N 0 3 363.498 3.032 20 10 FGCDHN O=S1(=O)CCC[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000294287631 498645366 /nfs/dbraw/zinc/64/53/66/498645366.db2.gz MQQHLQLCGFJDTN-ICSRJNTNSA-N 0 3 373.518 3.481 20 10 FGCDHN Cn1cc([C@H](O)C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000294939034 498855900 /nfs/dbraw/zinc/85/59/00/498855900.db2.gz XXICAKWXXZMVEC-TZIWHRDSSA-N 0 3 351.450 3.123 20 10 FGCDHN [O-]c1cccc(Cl)c1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000294942288 498857406 /nfs/dbraw/zinc/85/74/06/498857406.db2.gz CSMSBVLWTVHKBW-QGZVFWFLSA-N 0 3 360.885 3.292 20 10 FGCDHN [O-]c1cccc(Cl)c1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000294942288 498857415 /nfs/dbraw/zinc/85/74/15/498857415.db2.gz CSMSBVLWTVHKBW-QGZVFWFLSA-N 0 3 360.885 3.292 20 10 FGCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000283488359 498901684 /nfs/dbraw/zinc/90/16/84/498901684.db2.gz XTDOUOWTSMECIG-UQASEVPWSA-N 0 3 359.510 3.489 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc2c(cc1[O-])CCCC2 ZINC000363857042 499026951 /nfs/dbraw/zinc/02/69/51/499026951.db2.gz PMSRQDUSMHEFDH-AUUYWEPGSA-N 0 3 355.482 3.188 20 10 FGCDHN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc2c(cc1O)CCCC2 ZINC000363857042 499026958 /nfs/dbraw/zinc/02/69/58/499026958.db2.gz PMSRQDUSMHEFDH-AUUYWEPGSA-N 0 3 355.482 3.188 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000363862384 499029841 /nfs/dbraw/zinc/02/98/41/499029841.db2.gz ITIAZRLUGWPIIF-FUHWJXTLSA-N 0 3 355.482 3.359 20 10 FGCDHN C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000366699448 499037707 /nfs/dbraw/zinc/03/77/07/499037707.db2.gz VPSXCPQCXCESSQ-GAJHUEQPSA-N 0 3 365.521 3.485 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c1 ZINC000372587789 499150007 /nfs/dbraw/zinc/15/00/07/499150007.db2.gz ABJUDONCBXWKGK-MAUKXSAKSA-N 0 3 358.482 3.186 20 10 FGCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000370428095 499220088 /nfs/dbraw/zinc/22/00/88/499220088.db2.gz LYIUPDRORWZETK-CQSZACIVSA-N 0 3 364.442 3.000 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(C(=O)c3cccnc3)C2)cc1 ZINC000370662588 499241136 /nfs/dbraw/zinc/24/11/36/499241136.db2.gz MTSMECVZNCPUBU-APWZRJJASA-N 0 3 352.482 3.103 20 10 FGCDHN O=C(NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1)c1ccc[nH]1 ZINC000371421695 499324872 /nfs/dbraw/zinc/32/48/72/499324872.db2.gz ZDTALBXYVRNXHK-UHFFFAOYSA-N 0 3 366.509 3.399 20 10 FGCDHN COc1cccc(C(=O)N2CCCN(Cc3cccc(C)c3O)CC2)c1 ZINC000371424534 499325281 /nfs/dbraw/zinc/32/52/81/499325281.db2.gz OPKJTHSWTUYMGX-UHFFFAOYSA-N 0 3 354.450 3.057 20 10 FGCDHN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc2c(c1)CCN2C ZINC000372414858 499431838 /nfs/dbraw/zinc/43/18/38/499431838.db2.gz DJPAXBRJXWPGAK-OAHLLOKOSA-N 0 3 354.450 3.082 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000372945731 499444264 /nfs/dbraw/zinc/44/42/64/499444264.db2.gz MJJYLKYUBGQIGQ-ZDUSSCGKSA-N 0 3 355.862 3.072 20 10 FGCDHN CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000375996079 499574614 /nfs/dbraw/zinc/57/46/14/499574614.db2.gz WYPLQYWWYXWKBL-QFIPXVFZSA-N 0 3 367.493 3.446 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000377230453 499672260 /nfs/dbraw/zinc/67/22/60/499672260.db2.gz BGZMSFISLYVUGW-MRXNPFEDSA-N 0 3 356.376 3.034 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]3CN(C)C)ccc21 ZINC000427717194 500423723 /nfs/dbraw/zinc/42/37/23/500423723.db2.gz FEGVGVHPNYBBBP-SFHVURJKSA-N 0 3 357.498 3.071 20 10 FGCDHN CC(C)(C)OC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000092454205 700435927 /nfs/dbraw/zinc/43/59/27/700435927.db2.gz AVXUPYOASHHPNC-UHFFFAOYSA-N 0 3 350.478 3.442 20 10 FGCDHN Cc1cc(C)c(O)c(CN2CCN(c3ncnc4sccc43)CC2)c1 ZINC000163978048 705322687 /nfs/dbraw/zinc/32/26/87/705322687.db2.gz AQIQWEJSMHWMTJ-UHFFFAOYSA-N 0 3 354.479 3.336 20 10 FGCDHN C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779339697 724408415 /nfs/dbraw/zinc/40/84/15/724408415.db2.gz FMOLYDYXNKBKOK-MAUKXSAKSA-N 0 3 362.905 3.275 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1F ZINC000769527795 723689065 /nfs/dbraw/zinc/68/90/65/723689065.db2.gz SCQLPUOBHUBGOT-GOSISDBHSA-N 0 3 350.478 3.442 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785988838 724953543 /nfs/dbraw/zinc/95/35/43/724953543.db2.gz PDOKXGWWNAHMRC-WDMOLILDSA-N 0 3 358.276 3.145 20 10 FGCDHN CN1CCN([C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])c2cccs2)CC1 ZINC000725841505 722424566 /nfs/dbraw/zinc/42/45/66/722424566.db2.gz LDGDVPKIIFPWQB-MRXNPFEDSA-N 0 3 365.930 3.185 20 10 FGCDHN CCCCCCN(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000731871058 722478827 /nfs/dbraw/zinc/47/88/27/722478827.db2.gz VQNUSEAMNVITPS-UHFFFAOYSA-N 0 3 363.571 3.368 20 10 FGCDHN CCN(CC)C(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750046033 722752762 /nfs/dbraw/zinc/75/27/62/722752762.db2.gz YVIBMYSVQBXYQP-UHFFFAOYSA-N 0 3 366.889 3.329 20 10 FGCDHN O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc([O-])cs1 ZINC000753502118 722901795 /nfs/dbraw/zinc/90/17/95/722901795.db2.gz BLVQANMKRRHGJR-RYQLBKOJSA-N 0 3 356.491 3.484 20 10 FGCDHN O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cc([O-])cs1 ZINC000753502118 722901797 /nfs/dbraw/zinc/90/17/97/722901797.db2.gz BLVQANMKRRHGJR-RYQLBKOJSA-N 0 3 356.491 3.484 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000753548550 722903789 /nfs/dbraw/zinc/90/37/89/722903789.db2.gz LXNYLJHFKVRAJJ-SFHVURJKSA-N 0 3 359.491 3.271 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000753548550 722903792 /nfs/dbraw/zinc/90/37/92/722903792.db2.gz LXNYLJHFKVRAJJ-SFHVURJKSA-N 0 3 359.491 3.271 20 10 FGCDHN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000756344933 722963125 /nfs/dbraw/zinc/96/31/25/722963125.db2.gz VAXSCTFDLGDIQJ-PBHICJAKSA-N 0 3 363.502 3.232 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c1[O-] ZINC000790483897 723145520 /nfs/dbraw/zinc/14/55/20/723145520.db2.gz AFVXSIPWAMNUQE-HNNXBMFYSA-N 0 3 371.319 3.373 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000764772271 723444134 /nfs/dbraw/zinc/44/41/34/723444134.db2.gz ZWKSWASMSXAKSO-OAHLLOKOSA-N 0 3 361.511 3.365 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCOCC1 ZINC000765994722 723550550 /nfs/dbraw/zinc/55/05/50/723550550.db2.gz RFEFINIBBFBEDE-KDOFPFPSSA-N 0 3 352.906 3.415 20 10 FGCDHN C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765995753 723550644 /nfs/dbraw/zinc/55/06/44/723550644.db2.gz WXXMFTXLQIQPHC-IIDMSEBBSA-N 0 3 352.906 3.415 20 10 FGCDHN C[C@@H]1SCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768445200 723657697 /nfs/dbraw/zinc/65/76/97/723657697.db2.gz GKWFBARQYRDRLQ-GMVOTWDCSA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768445200 723657699 /nfs/dbraw/zinc/65/76/99/723657699.db2.gz GKWFBARQYRDRLQ-GMVOTWDCSA-N 0 3 357.475 3.497 20 10 FGCDHN C[C@@H]1SCCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768445200 723657700 /nfs/dbraw/zinc/65/77/00/723657700.db2.gz GKWFBARQYRDRLQ-GMVOTWDCSA-N 0 3 357.475 3.497 20 10 FGCDHN COc1cc(C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)ccc1SC ZINC000768444920 723657773 /nfs/dbraw/zinc/65/77/73/723657773.db2.gz OJPICJSRGKPRDJ-INIZCTEOSA-N 0 3 361.463 3.181 20 10 FGCDHN COc1cc(C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)ccc1SC ZINC000768444920 723657774 /nfs/dbraw/zinc/65/77/74/723657774.db2.gz OJPICJSRGKPRDJ-INIZCTEOSA-N 0 3 361.463 3.181 20 10 FGCDHN COc1cc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)ccc1SC ZINC000768444920 723657776 /nfs/dbraw/zinc/65/77/76/723657776.db2.gz OJPICJSRGKPRDJ-INIZCTEOSA-N 0 3 361.463 3.181 20 10 FGCDHN COc1cccc(O)c1CN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000769234024 723680165 /nfs/dbraw/zinc/68/01/65/723680165.db2.gz XLROHGNIBWGGPF-AWEZNQCLSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]Cc2ccc3c(c2)COC3)c1[O-] ZINC000769929352 723701194 /nfs/dbraw/zinc/70/11/94/723701194.db2.gz YQWFFRIHOYBCND-UHFFFAOYSA-N 0 3 364.239 3.483 20 10 FGCDHN COc1cccc(O)c1CN[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000773408165 723784217 /nfs/dbraw/zinc/78/42/17/723784217.db2.gz GDWVWXDRNYCXKA-LLVKDONJSA-N 0 3 364.804 3.088 20 10 FGCDHN CC(C)[NH+]1CCC(N2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000775731678 724033023 /nfs/dbraw/zinc/03/30/23/724033023.db2.gz JPLPNETXXVTFRQ-UHFFFAOYSA-N 0 3 369.912 3.175 20 10 FGCDHN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])c1 ZINC000808678358 725212990 /nfs/dbraw/zinc/21/29/90/725212990.db2.gz PISQZWAZXGAVMR-ZDUSSCGKSA-N 0 3 362.857 3.330 20 10 FGCDHN CC[C@H]([NH2+][C@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000809663667 725257421 /nfs/dbraw/zinc/25/74/21/725257421.db2.gz SPPOQHLVMOMMOT-QAPCUYQASA-N 0 3 362.495 3.190 20 10 FGCDHN C[NH+](C)CCN(Cc1ccccn1)Cc1cc(Br)ccc1[O-] ZINC000809742256 725264220 /nfs/dbraw/zinc/26/42/20/725264220.db2.gz PVMFGXNZQXQCAT-UHFFFAOYSA-N 0 3 364.287 3.114 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000816499508 727168578 /nfs/dbraw/zinc/16/85/78/727168578.db2.gz SIIFUGYWFUUMNJ-UHFFFAOYSA-N 0 3 356.869 3.119 20 10 FGCDHN [O-]c1cc(F)c(Cl)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000816515687 727170490 /nfs/dbraw/zinc/17/04/90/727170490.db2.gz HTJPUJNSFPKZRU-UHFFFAOYSA-N 0 3 356.869 3.262 20 10 FGCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690578 729355168 /nfs/dbraw/zinc/35/51/68/729355168.db2.gz HAOFQIHJLXNTRX-FQEVSTJZSA-N 0 3 360.885 3.342 20 10 FGCDHN Cc1ccc(C[C@H](CO)C[NH2+]Cc2ccccc2[O-])cc1Br ZINC000825073147 729369762 /nfs/dbraw/zinc/36/97/62/729369762.db2.gz RVTBZIYVDWUMSG-HNNXBMFYSA-N 0 3 364.283 3.404 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]Cc2cnc(C)cc2C)c1[O-] ZINC000825221419 729374877 /nfs/dbraw/zinc/37/48/77/729374877.db2.gz LJKASPNOKQGRIM-UHFFFAOYSA-N 0 3 351.244 3.465 20 10 FGCDHN CNC(=O)CC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCCCC1 ZINC000827590917 729432081 /nfs/dbraw/zinc/43/20/81/729432081.db2.gz GRWYJTZHUPJXFW-UHFFFAOYSA-N 0 3 354.878 3.230 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752688 730270715 /nfs/dbraw/zinc/27/07/15/730270715.db2.gz VBGRXQCJUVUDNH-MORSLUCNSA-N 0 3 352.906 3.464 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC2(CO)CCC2)c1[O-] ZINC000848555430 731181087 /nfs/dbraw/zinc/18/10/87/731181087.db2.gz ASSAZGXDHYOOMS-NSHDSACASA-N 0 3 358.276 3.367 20 10 FGCDHN Oc1ccc(Br)cc1CNc1ccc([C@H]2CNCCO2)cc1 ZINC000849352468 731251755 /nfs/dbraw/zinc/25/17/55/731251755.db2.gz MCRFNEWXAPWQHC-QGZVFWFLSA-N 0 3 363.255 3.428 20 10 FGCDHN COc1ccc(N2CC[C@@H](NCc3ccc(Br)o3)C2)cc1 ZINC000850346929 731345337 /nfs/dbraw/zinc/34/53/37/731345337.db2.gz ZQOHRAKQGMQHQK-GFCCVEGCSA-N 0 3 351.244 3.419 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1[O-] ZINC000850520668 731368982 /nfs/dbraw/zinc/36/89/82/731368982.db2.gz FPEVLXAUUCBQEA-PELKAZGASA-N 0 3 366.202 3.238 20 10 FGCDHN COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000858473871 732218436 /nfs/dbraw/zinc/21/84/36/732218436.db2.gz RFAPKTXMEMIDGY-ZWNOBZJWSA-N 0 3 354.244 3.376 20 10 FGCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000877034029 736178201 /nfs/dbraw/zinc/17/82/01/736178201.db2.gz WCOVPACTTMBSJF-WWDZGPRUSA-N 0 3 360.889 3.200 20 10 FGCDHN COc1cc(O)c(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)cc1OC ZINC000877664572 736701822 /nfs/dbraw/zinc/70/18/22/736701822.db2.gz SXKWSWRGLAORMA-HNNXBMFYSA-N 0 3 369.820 3.415 20 10 FGCDHN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649754 737022857 /nfs/dbraw/zinc/02/28/57/737022857.db2.gz FUTRRZKCNGRRKE-VXGBXAGGSA-N 0 3 362.451 3.227 20 10 FGCDHN CN1CCN(c2ccc(CNCc3ncc(C(C)(C)C)s3)cc2)CC1 ZINC000883283331 737546940 /nfs/dbraw/zinc/54/69/40/737546940.db2.gz BEIGDUYVEARCMH-UHFFFAOYSA-N 0 3 358.555 3.482 20 10 FGCDHN CN1CCN(c2ccc(CNCc3csc(C(C)(C)C)n3)cc2)CC1 ZINC000883283626 737547144 /nfs/dbraw/zinc/54/71/44/737547144.db2.gz MEMFBRNOBYXORH-UHFFFAOYSA-N 0 3 358.555 3.482 20 10 FGCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCC2(F)F)N(C)C)cc1 ZINC000891243155 739886170 /nfs/dbraw/zinc/88/61/70/739886170.db2.gz JPELBYCAMNFNBE-RDJZCZTQSA-N 0 3 353.457 3.297 20 10 FGCDHN COc1ccc(CNCc2ccc(OC(F)F)cc2F)c(O)c1OC ZINC000895833362 742459433 /nfs/dbraw/zinc/45/94/33/742459433.db2.gz OBNVTUXIHMGQLV-UHFFFAOYSA-N 0 3 357.328 3.440 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]CCc2ccccc2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000926909602 759843727 /nfs/dbraw/zinc/84/37/27/759843727.db2.gz YSBINYWDCSYRMO-SWLSCSKDSA-N 0 3 363.454 3.315 20 10 FGCDHN C[C@@H](NCCOC1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000927075199 759886812 /nfs/dbraw/zinc/88/68/12/759886812.db2.gz BWWLXUVQJLFXTO-OAHLLOKOSA-N 0 3 368.905 3.023 20 10 FGCDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779049480 724384090 /nfs/dbraw/zinc/38/40/90/724384090.db2.gz HRNPSCXFKQXGFN-TUKIKUTGSA-N 0 3 358.276 3.308 20 10 FGCDHN COc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000048780540 493845711 /nfs/dbraw/zinc/84/57/11/493845711.db2.gz LRKBZFSBPSTRMV-HNNXBMFYSA-N 0 3 362.495 3.105 20 10 FGCDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000090183165 494454334 /nfs/dbraw/zinc/45/43/34/494454334.db2.gz GSCBNUWZZVWRLT-INIZCTEOSA-N 0 3 350.528 3.152 20 10 FGCDHN COc1cc(Br)cc(CN2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000121183925 494634894 /nfs/dbraw/zinc/63/48/94/494634894.db2.gz DACSTVURFQXIGJ-NSHDSACASA-N 0 3 366.259 3.266 20 10 FGCDHN COc1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000047824839 494779985 /nfs/dbraw/zinc/77/99/85/494779985.db2.gz VDYSGSMVGPAYDX-UHFFFAOYSA-N 0 3 374.506 3.078 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]CCc1nc(-c3ccc(Cl)cc3)no1)OCO2 ZINC000109349992 494862413 /nfs/dbraw/zinc/86/24/13/494862413.db2.gz AWUNOTQHWFGDNP-UHFFFAOYSA-N 0 3 373.796 3.157 20 10 FGCDHN COc1ccc(N2CCN(CCCN[C@H](C)c3nccs3)CC2)cc1 ZINC000093370514 494881622 /nfs/dbraw/zinc/88/16/22/494881622.db2.gz RAMIWXSIZIEAFV-MRXNPFEDSA-N 0 3 360.527 3.015 20 10 FGCDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000124174328 495245801 /nfs/dbraw/zinc/24/58/01/495245801.db2.gz XXFIZJRFZAZMBL-MRXNPFEDSA-N 0 3 356.470 3.098 20 10 FGCDHN COc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000124174328 495245807 /nfs/dbraw/zinc/24/58/07/495245807.db2.gz XXFIZJRFZAZMBL-MRXNPFEDSA-N 0 3 356.470 3.098 20 10 FGCDHN C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124807339 495346483 /nfs/dbraw/zinc/34/64/83/495346483.db2.gz AKVAKVJXCWDEHL-JLTOFOAXSA-N 0 3 362.420 3.186 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000182672262 495658499 /nfs/dbraw/zinc/65/84/99/495658499.db2.gz YOICLCSYVKMNPR-MRXNPFEDSA-N 0 3 358.869 3.492 20 10 FGCDHN C[C@@H](NC[C@@H](O)c1ccsc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000154596702 495666522 /nfs/dbraw/zinc/66/65/22/495666522.db2.gz MGITVXLSIGCASM-FZKQIMNGSA-N 0 3 350.459 3.108 20 10 FGCDHN CC[C@H](NCc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151249652 495783234 /nfs/dbraw/zinc/78/32/34/495783234.db2.gz GDDAATLWQXNQQG-FQEVSTJZSA-N 0 3 354.498 3.225 20 10 FGCDHN COc1ccc(N2CCC[N@H+](Cc3cc(OC)c(OC)cc3[O-])CC2)cc1 ZINC000159906780 495837275 /nfs/dbraw/zinc/83/72/75/495837275.db2.gz AIGWMHVOXYCNJN-UHFFFAOYSA-N 0 3 372.465 3.130 20 10 FGCDHN COc1ccc(N2CCC[N@@H+](Cc3cc(OC)c(OC)cc3[O-])CC2)cc1 ZINC000159906780 495837280 /nfs/dbraw/zinc/83/72/80/495837280.db2.gz AIGWMHVOXYCNJN-UHFFFAOYSA-N 0 3 372.465 3.130 20 10 FGCDHN COc1ccc(N2CCCN(Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000159906780 495837282 /nfs/dbraw/zinc/83/72/82/495837282.db2.gz AIGWMHVOXYCNJN-UHFFFAOYSA-N 0 3 372.465 3.130 20 10 FGCDHN C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000186520005 496029060 /nfs/dbraw/zinc/02/90/60/496029060.db2.gz BWAUEVFOWSDREB-KDOFPFPSSA-N 0 3 360.885 3.463 20 10 FGCDHN COc1cccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000180804360 496153377 /nfs/dbraw/zinc/15/33/77/496153377.db2.gz YNTSTZBKAKLYAY-CYBMUJFWSA-N 0 3 355.360 3.453 20 10 FGCDHN COc1cccc([C@@H](O)CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161366966 496160964 /nfs/dbraw/zinc/16/09/64/496160964.db2.gz AUXDXKSKUXKVKB-VFNWGFHPSA-N 0 3 374.456 3.055 20 10 FGCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000172115772 496171899 /nfs/dbraw/zinc/17/18/99/496171899.db2.gz RZDSXCNEZSIKLB-CALCHBBNSA-N 0 3 368.477 3.240 20 10 FGCDHN Cc1ccc(O)c(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000172115772 496171904 /nfs/dbraw/zinc/17/19/04/496171904.db2.gz RZDSXCNEZSIKLB-CALCHBBNSA-N 0 3 368.477 3.240 20 10 FGCDHN COc1ccc(N2CCC(N[C@H](C)C(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000156284237 496205570 /nfs/dbraw/zinc/20/55/70/496205570.db2.gz NAVNHDKKYDUZIK-DLBZAZTESA-N 0 3 359.514 3.043 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c1[O-] ZINC000186959575 496229350 /nfs/dbraw/zinc/22/93/50/496229350.db2.gz ADTBNNVPASUTAC-LLVKDONJSA-N 0 3 367.243 3.137 20 10 FGCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3cnc4cnccn34)C2)cc1 ZINC000156926717 496366970 /nfs/dbraw/zinc/36/69/70/496366970.db2.gz ZFBJYLXFHCYSCY-AWEZNQCLSA-N 0 3 373.407 3.089 20 10 FGCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000178665243 496532633 /nfs/dbraw/zinc/53/26/33/496532633.db2.gz QTWHILFGSXXYBB-HZPDHXFCSA-N 0 3 368.481 3.426 20 10 FGCDHN C[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157717023 496537010 /nfs/dbraw/zinc/53/70/10/496537010.db2.gz KTNDNJPNRSOSDB-VBKZILBWSA-N 0 3 362.420 3.186 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)NCc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185278511 496723608 /nfs/dbraw/zinc/72/36/08/496723608.db2.gz OACBFESUJWNQPB-MRXNPFEDSA-N 0 3 372.488 3.364 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000182313268 496729297 /nfs/dbraw/zinc/72/92/97/496729297.db2.gz XMHVHVATNXFXQD-GFCCVEGCSA-N 0 3 369.870 3.179 20 10 FGCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000273274280 496760334 /nfs/dbraw/zinc/76/03/34/496760334.db2.gz OZLRRYLRXBDCDX-UTKZUKDTSA-N 0 3 366.509 3.380 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273355810 496781681 /nfs/dbraw/zinc/78/16/81/496781681.db2.gz CQOLYMUDEMKHMK-JHVJFLLYSA-N 0 3 358.526 3.299 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c([O-])c1C ZINC000273363590 496783951 /nfs/dbraw/zinc/78/39/51/496783951.db2.gz DJKZPEBFCGISTP-WBVHZDCISA-N 0 3 355.482 3.480 20 10 FGCDHN Cc1ccc([C@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)c(O)c1C ZINC000273363590 496783954 /nfs/dbraw/zinc/78/39/54/496783954.db2.gz DJKZPEBFCGISTP-WBVHZDCISA-N 0 3 355.482 3.480 20 10 FGCDHN O=C(CNC1(CO)CCOCC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000264595189 496939044 /nfs/dbraw/zinc/93/90/44/496939044.db2.gz BNMUDBJVYOXVCC-WCWDXBQESA-N 0 3 368.437 3.172 20 10 FGCDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccccc1[O-] ZINC000274892483 497193270 /nfs/dbraw/zinc/19/32/70/497193270.db2.gz JQARYDYIKNXQIG-HXUWFJFHSA-N 0 3 367.493 3.021 20 10 FGCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278895007 497258507 /nfs/dbraw/zinc/25/85/07/497258507.db2.gz YVQPYOIXZZFCJX-STQMWFEESA-N 0 3 360.329 3.376 20 10 FGCDHN CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H](O)c1c(F)cccc1F ZINC000271876006 497476943 /nfs/dbraw/zinc/47/69/43/497476943.db2.gz ZEUDYFKATNMYIQ-KUHUBIRLSA-N 0 3 367.392 3.289 20 10 FGCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(C)cc1[O-] ZINC000280136323 497660740 /nfs/dbraw/zinc/66/07/40/497660740.db2.gz PIYONTSFFABXOL-KSSFIOAISA-N 0 3 362.495 3.411 20 10 FGCDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555519 497661354 /nfs/dbraw/zinc/66/13/54/497661354.db2.gz ZHEMRKSWYNSLGW-OJYYBLKUSA-N 0 3 366.461 3.138 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)C3CCN(C4CC4)CC3)cc2)CC1 ZINC000194588128 497712529 /nfs/dbraw/zinc/71/25/29/497712529.db2.gz VZBZAWSMEZZQPB-UHFFFAOYSA-N 0 3 355.526 3.414 20 10 FGCDHN CC(C)N1CC[NH+](C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000364587573 498037404 /nfs/dbraw/zinc/03/74/04/498037404.db2.gz DLIDTDFKGHGTHN-UHFFFAOYSA-N 0 3 369.912 3.175 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCC(NC(=O)c3occc3C)CC2)c1 ZINC000364636283 498062261 /nfs/dbraw/zinc/06/22/61/498062261.db2.gz XXEWMNJLECJDNU-AWEZNQCLSA-N 0 3 358.438 3.258 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(NC(=O)c3occc3C)CC2)c1 ZINC000364636283 498062271 /nfs/dbraw/zinc/06/22/71/498062271.db2.gz XXEWMNJLECJDNU-AWEZNQCLSA-N 0 3 358.438 3.258 20 10 FGCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c([O-])c1 ZINC000285443063 498085516 /nfs/dbraw/zinc/08/55/16/498085516.db2.gz ZDCXPBVMLHLTOE-MRXNPFEDSA-N 0 3 368.543 3.110 20 10 FGCDHN COc1ccccc1NC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000360438231 498275026 /nfs/dbraw/zinc/27/50/26/498275026.db2.gz WMRUWGWHZRCGIK-UHFFFAOYSA-N 0 3 372.465 3.495 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1[O-] ZINC000360717065 498301571 /nfs/dbraw/zinc/30/15/71/498301571.db2.gz VXSMUGZBOUEALE-CZUORRHYSA-N 0 3 352.413 3.455 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282550480 498554965 /nfs/dbraw/zinc/55/49/65/498554965.db2.gz XDIHYMUQKNPVOB-ZBFHGGJFSA-N 0 3 355.438 3.358 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccncc2OC[C@H]2CCOC2)c1 ZINC000287425232 498751579 /nfs/dbraw/zinc/75/15/79/498751579.db2.gz SMVOAXUCVKZPFC-GJZGRUSLSA-N 0 3 358.438 3.062 20 10 FGCDHN CN1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000366332265 498877061 /nfs/dbraw/zinc/87/70/61/498877061.db2.gz YWWBJEAIWLFANX-OXJNMPFZSA-N 0 3 357.885 3.274 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc2c(cc1[O-])CCCC2 ZINC000363857043 499026701 /nfs/dbraw/zinc/02/67/01/499026701.db2.gz PMSRQDUSMHEFDH-IFXJQAMLSA-N 0 3 355.482 3.188 20 10 FGCDHN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc2c(cc1O)CCCC2 ZINC000363857043 499026707 /nfs/dbraw/zinc/02/67/07/499026707.db2.gz PMSRQDUSMHEFDH-IFXJQAMLSA-N 0 3 355.482 3.188 20 10 FGCDHN CN(Cc1cccs1)c1ccc(CN2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000295488219 499032004 /nfs/dbraw/zinc/03/20/04/499032004.db2.gz SORXKWCJTNTCSD-UHFFFAOYSA-N 0 3 366.490 3.026 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1[O-] ZINC000364028990 499091699 /nfs/dbraw/zinc/09/16/99/499091699.db2.gz ADQXBRLWLSEROC-KRWDZBQOSA-N 0 3 358.482 3.014 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710237 499164919 /nfs/dbraw/zinc/16/49/19/499164919.db2.gz CEEPYWSDEGQNMX-KRWDZBQOSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710237 499164921 /nfs/dbraw/zinc/16/49/21/499164921.db2.gz CEEPYWSDEGQNMX-KRWDZBQOSA-N 0 3 372.513 3.447 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCCN(Cc3nccn3C(C)C)CC2)c1 ZINC000372710237 499164923 /nfs/dbraw/zinc/16/49/23/499164923.db2.gz CEEPYWSDEGQNMX-KRWDZBQOSA-N 0 3 372.513 3.447 20 10 FGCDHN Fc1cccnc1OC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000370091545 499178937 /nfs/dbraw/zinc/17/89/37/499178937.db2.gz KKGYFDWJIVFMED-UHFFFAOYSA-N 0 3 371.456 3.101 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370376155 499214733 /nfs/dbraw/zinc/21/47/33/499214733.db2.gz WWSMLAOEASCNPQ-WMZOPIPTSA-N 0 3 368.477 3.143 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C2CCN(C(=O)c3cccc(O)c3)CC2)c1[O-] ZINC000367586029 499215335 /nfs/dbraw/zinc/21/53/35/499215335.db2.gz XKTQTSXFXGRWTE-UHFFFAOYSA-N 0 3 374.868 3.454 20 10 FGCDHN C[C@@]1(CNCc2ccc(N3CCOCC3)cc2)OCCc2sccc21 ZINC000368089252 499262915 /nfs/dbraw/zinc/26/29/15/499262915.db2.gz KUPUXYGUOVOTTA-FQEVSTJZSA-N 0 3 358.507 3.162 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1[O-] ZINC000368374235 499289986 /nfs/dbraw/zinc/28/99/86/499289986.db2.gz KDQUINNHLIEPGK-DOTOQJQBSA-N 0 3 356.470 3.358 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371332535 499311754 /nfs/dbraw/zinc/31/17/54/499311754.db2.gz QHWUTXDIMHFRBD-NWDGAFQWSA-N 0 3 356.260 3.022 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371332535 499311755 /nfs/dbraw/zinc/31/17/55/499311755.db2.gz QHWUTXDIMHFRBD-NWDGAFQWSA-N 0 3 356.260 3.022 20 10 FGCDHN COc1cccc(CN2CCC[C@@H](C(=O)Nc3nc(C)cs3)C2)c1O ZINC000371395662 499320561 /nfs/dbraw/zinc/32/05/61/499320561.db2.gz JAPPFIJKFAQPPY-CQSZACIVSA-N 0 3 361.467 3.016 20 10 FGCDHN COc1cccc(C[NH+]2CCC(C(=O)N(C)c3ccccc3)CC2)c1[O-] ZINC000371421384 499324823 /nfs/dbraw/zinc/32/48/23/499324823.db2.gz RXQKZYBZLGRDQG-UHFFFAOYSA-N 0 3 354.450 3.276 20 10 FGCDHN COc1ccc([C@@H](O)[C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000371422277 499324985 /nfs/dbraw/zinc/32/49/85/499324985.db2.gz DZYQMOHWGNSAEF-LAUBAEHRSA-N 0 3 373.449 3.116 20 10 FGCDHN COc1ccc([C@@H](O)[C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2[O-])cc1 ZINC000371422277 499324986 /nfs/dbraw/zinc/32/49/86/499324986.db2.gz DZYQMOHWGNSAEF-LAUBAEHRSA-N 0 3 373.449 3.116 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000372982356 499445777 /nfs/dbraw/zinc/44/57/77/499445777.db2.gz ZIUNIAQIJPCPIW-UHFFFAOYSA-N 0 3 366.259 3.197 20 10 FGCDHN COc1ccc(O)c(CN2CCC(n3cc(Br)cn3)CC2)c1 ZINC000372982356 499445778 /nfs/dbraw/zinc/44/57/78/499445778.db2.gz ZIUNIAQIJPCPIW-UHFFFAOYSA-N 0 3 366.259 3.197 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000377699470 499722238 /nfs/dbraw/zinc/72/22/38/499722238.db2.gz MNJXWXKHESFXBH-CKJXQJPGSA-N 0 3 372.513 3.210 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000377699470 499722239 /nfs/dbraw/zinc/72/22/39/499722239.db2.gz MNJXWXKHESFXBH-CKJXQJPGSA-N 0 3 372.513 3.210 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1[O-] ZINC000377803575 499736535 /nfs/dbraw/zinc/73/65/35/499736535.db2.gz YAUUTHMJZYMGMV-PWSUYJOCSA-N 0 3 350.260 3.394 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1[O-] ZINC000377803575 499736536 /nfs/dbraw/zinc/73/65/36/499736536.db2.gz YAUUTHMJZYMGMV-PWSUYJOCSA-N 0 3 350.260 3.394 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000471772670 502133111 /nfs/dbraw/zinc/13/31/11/502133111.db2.gz SRGNWHOEGVRZEB-INIZCTEOSA-N 0 3 356.514 3.406 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000472230196 502277761 /nfs/dbraw/zinc/27/77/61/502277761.db2.gz BJURJSMFRNWHGW-INIZCTEOSA-N 0 3 356.514 3.358 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)c3oc(C)cc3C)CC2)c1O ZINC000527587353 503843135 /nfs/dbraw/zinc/84/31/35/503843135.db2.gz LFGFNMUYGOVDJN-UHFFFAOYSA-N 0 3 372.465 3.395 20 10 FGCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(Br)cc1 ZINC000111235881 700546874 /nfs/dbraw/zinc/54/68/74/700546874.db2.gz URAKBVRKFBRFKD-OAHLLOKOSA-N 0 3 366.255 3.026 20 10 FGCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(Br)cc1 ZINC000111235881 700546875 /nfs/dbraw/zinc/54/68/75/700546875.db2.gz URAKBVRKFBRFKD-OAHLLOKOSA-N 0 3 366.255 3.026 20 10 FGCDHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000113960677 700575889 /nfs/dbraw/zinc/57/58/89/700575889.db2.gz SYZFMFPZWQAZBD-OAHLLOKOSA-N 0 3 350.340 3.306 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)c1[O-] ZINC000130375283 700800633 /nfs/dbraw/zinc/80/06/33/700800633.db2.gz JCAJMVMWBQJGFL-GWCFXTLKSA-N 0 3 370.243 3.358 20 10 FGCDHN COC[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172922722 705436314 /nfs/dbraw/zinc/43/63/14/705436314.db2.gz NVGNIGVTSJKZFN-CQSZACIVSA-N 0 3 366.255 3.155 20 10 FGCDHN COc1ccc(O)c(CN2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179946446 705721693 /nfs/dbraw/zinc/72/16/93/705721693.db2.gz PYAYNZJRNSSANC-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN COc1cc(Br)cc(CN2CCCC[C@H]2C[C@@H](C)O)c1O ZINC000790934658 723196000 /nfs/dbraw/zinc/19/60/00/723196000.db2.gz QPABRMDJQHGFTB-RISCZKNCSA-N 0 3 358.276 3.289 20 10 FGCDHN CN(C)Cc1cccc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804737982 724547668 /nfs/dbraw/zinc/54/76/68/724547668.db2.gz XWJWZTSWSGWCLE-UHFFFAOYSA-N 0 3 363.255 3.146 20 10 FGCDHN COc1cccc([O-])c1C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000783720822 724781452 /nfs/dbraw/zinc/78/14/52/724781452.db2.gz XLYBAQVIWPKRPU-UHFFFAOYSA-N 0 3 350.459 3.280 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000731450158 722475438 /nfs/dbraw/zinc/47/54/38/722475438.db2.gz ITLPMDKLVCZQNX-OAHLLOKOSA-N 0 3 357.328 3.123 20 10 FGCDHN O[C@H]([C@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000734844124 722510499 /nfs/dbraw/zinc/51/04/99/722510499.db2.gz VEXDIHCNWCPDQQ-FUHWJXTLSA-N 0 3 351.368 3.246 20 10 FGCDHN O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc([O-])cs1 ZINC000753502114 722901876 /nfs/dbraw/zinc/90/18/76/722901876.db2.gz BLVQANMKRRHGJR-KBAYOESNSA-N 0 3 356.491 3.484 20 10 FGCDHN O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cc([O-])cs1 ZINC000753502114 722901879 /nfs/dbraw/zinc/90/18/79/722901879.db2.gz BLVQANMKRRHGJR-KBAYOESNSA-N 0 3 356.491 3.484 20 10 FGCDHN COc1cc(Br)cc(CN2CCC([C@H]3CCOC3)CC2)c1O ZINC000753576227 722905377 /nfs/dbraw/zinc/90/53/77/722905377.db2.gz PROHMKOPOXQXPV-ZDUSSCGKSA-N 0 3 370.287 3.412 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000758527907 722991145 /nfs/dbraw/zinc/99/11/45/722991145.db2.gz ZNYDYWWOGRZJHZ-CQSZACIVSA-N 0 3 350.256 3.096 20 10 FGCDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1 ZINC000759387145 723003775 /nfs/dbraw/zinc/00/37/75/723003775.db2.gz OBBAOCGRIJOQHA-WWRUEGTHSA-N 0 3 357.841 3.104 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1[O-] ZINC000761205373 723132861 /nfs/dbraw/zinc/13/28/61/723132861.db2.gz AFZLHBNRQNEZJN-UHFFFAOYSA-N 0 3 366.889 3.325 20 10 FGCDHN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761213042 723133693 /nfs/dbraw/zinc/13/36/93/723133693.db2.gz BNGZDTWTKUCHKZ-ZDUSSCGKSA-N 0 3 355.862 3.465 20 10 FGCDHN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000761213042 723133694 /nfs/dbraw/zinc/13/36/94/723133694.db2.gz BNGZDTWTKUCHKZ-ZDUSSCGKSA-N 0 3 355.862 3.465 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000793565761 723449249 /nfs/dbraw/zinc/44/92/49/723449249.db2.gz DBTJOGSFWDLYFK-LNSITVRQSA-N 0 3 374.319 3.272 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769424052 723685347 /nfs/dbraw/zinc/68/53/47/723685347.db2.gz QOUKIMDLUWZQEA-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769424052 723685348 /nfs/dbraw/zinc/68/53/48/723685348.db2.gz QOUKIMDLUWZQEA-HIFRSBDPSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000771890969 723744535 /nfs/dbraw/zinc/74/45/35/723744535.db2.gz VNLCKOPSGXAYBB-KBPBESRZSA-N 0 3 358.276 3.457 20 10 FGCDHN CC[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775504065 723996668 /nfs/dbraw/zinc/99/66/68/723996668.db2.gz RPOWRFOQBOPNER-QGZVFWFLSA-N 0 3 367.921 3.029 20 10 FGCDHN CS(=O)(=O)[C@@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000800534541 724210262 /nfs/dbraw/zinc/21/02/62/724210262.db2.gz OKMJURCMVDOVDZ-LJQANCHMSA-N 0 3 359.491 3.458 20 10 FGCDHN CCCN(CCC)c1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1 ZINC000784621209 724868597 /nfs/dbraw/zinc/86/85/97/724868597.db2.gz NPKWXQUJQAPAKI-LJQANCHMSA-N 0 3 352.544 3.370 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C(C)(C)C2CCOCC2)c1[O-] ZINC000785607748 724924889 /nfs/dbraw/zinc/92/48/89/724924889.db2.gz RZOOMCHBJWVWOP-UHFFFAOYSA-N 0 3 358.276 3.458 20 10 FGCDHN CCn1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])c1=O ZINC000788610602 725075686 /nfs/dbraw/zinc/07/56/86/725075686.db2.gz ZBDLQVXEHLBASS-LBPRGKRZSA-N 0 3 365.271 3.496 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1[O-] ZINC000809665134 725257394 /nfs/dbraw/zinc/25/73/94/725257394.db2.gz PJSFBYXFUXPYFF-NSHDSACASA-N 0 3 358.276 3.146 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1[O-] ZINC000809665134 725257396 /nfs/dbraw/zinc/25/73/96/725257396.db2.gz PJSFBYXFUXPYFF-NSHDSACASA-N 0 3 358.276 3.146 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1[O-] ZINC000816652967 727185543 /nfs/dbraw/zinc/18/55/43/727185543.db2.gz ACDCTKJTIHCCMD-OAHLLOKOSA-N 0 3 363.255 3.169 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1[O-] ZINC000824845957 729361723 /nfs/dbraw/zinc/36/17/23/729361723.db2.gz PNGCHRXYHZGMJX-HZPDHXFCSA-N 0 3 354.288 3.350 20 10 FGCDHN [O-]c1cc(Br)ccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000824870224 729363099 /nfs/dbraw/zinc/36/30/99/729363099.db2.gz OFPMEPSOGSMDQE-CQSZACIVSA-N 0 3 353.304 3.463 20 10 FGCDHN COc1cc(Cl)cc(CN2CCC(OCCOC(C)C)CC2)c1O ZINC000825208032 729374626 /nfs/dbraw/zinc/37/46/26/729374626.db2.gz QPQLLFFJRRYARW-UHFFFAOYSA-N 0 3 357.878 3.460 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263964 729376067 /nfs/dbraw/zinc/37/60/67/729376067.db2.gz XIGKAGLIQUIAAF-KBPBESRZSA-N 0 3 350.459 3.184 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]CC2(CC(N)=O)CCCCC2)c1[O-] ZINC000827750228 729434144 /nfs/dbraw/zinc/43/41/44/729434144.db2.gz BLSSTBMJAIZXHB-UHFFFAOYSA-N 0 3 369.303 3.379 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1[O-] ZINC000840960387 730197518 /nfs/dbraw/zinc/19/75/18/730197518.db2.gz ICZSWZNWTIILFS-HWPZZCPQSA-N 0 3 358.276 3.457 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000843044413 730573225 /nfs/dbraw/zinc/57/32/25/730573225.db2.gz BFVTVOXLNOSZTB-XJKSGUPXSA-N 0 3 353.304 3.427 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1[O-] ZINC000843429681 730620211 /nfs/dbraw/zinc/62/02/11/730620211.db2.gz ZNRSLIZPWSSLHF-INIZCTEOSA-N 0 3 358.869 3.492 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1[O-] ZINC000843429681 730620214 /nfs/dbraw/zinc/62/02/14/730620214.db2.gz ZNRSLIZPWSSLHF-INIZCTEOSA-N 0 3 358.869 3.492 20 10 FGCDHN COc1cccc([C@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000846162065 730932616 /nfs/dbraw/zinc/93/26/16/730932616.db2.gz ADRWKPDIESAIEG-CABCVRRESA-N 0 3 363.479 3.222 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCn2ccnc2C)c1[O-] ZINC000848525447 731175254 /nfs/dbraw/zinc/17/52/54/731175254.db2.gz NZILWFXNHZONBB-JTQLQIEISA-N 0 3 354.248 3.019 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)c1[O-] ZINC000848530577 731176318 /nfs/dbraw/zinc/17/63/18/731176318.db2.gz BOKJMENFVABZJF-NWDGAFQWSA-N 0 3 357.292 3.298 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000848533160 731176848 /nfs/dbraw/zinc/17/68/48/731176848.db2.gz OKKYYOAZYBEKNI-SKDRFNHKSA-N 0 3 366.259 3.095 20 10 FGCDHN COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000849350316 731251522 /nfs/dbraw/zinc/25/15/22/731251522.db2.gz XQGHYGCBJKRTKW-YOEHRIQHSA-N 0 3 364.848 3.429 20 10 FGCDHN COc1ccc(N2CC[C@@H](NCc3c(Cl)nc4ccccn43)C2)cc1 ZINC000850345795 731345045 /nfs/dbraw/zinc/34/50/45/731345045.db2.gz KQCYBYHRYDXTBJ-CQSZACIVSA-N 0 3 356.857 3.365 20 10 FGCDHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858546263 732226168 /nfs/dbraw/zinc/22/61/68/732226168.db2.gz QSINWPRIYUSZHR-OHNRDTAOSA-N 0 3 350.890 3.395 20 10 FGCDHN C[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000866535775 733362372 /nfs/dbraw/zinc/36/23/72/733362372.db2.gz HSNBKVFXWFSJAQ-QWHCGFSZSA-N 0 3 351.443 3.389 20 10 FGCDHN COc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894514636 742294314 /nfs/dbraw/zinc/29/43/14/742294314.db2.gz MVHDAUJAAXIBKR-HNNXBMFYSA-N 0 3 351.830 3.276 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895847879 742462697 /nfs/dbraw/zinc/46/26/97/742462697.db2.gz WWBIOKYRBYGRGX-SMDDNHRTSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895847879 742462699 /nfs/dbraw/zinc/46/26/99/742462699.db2.gz WWBIOKYRBYGRGX-SMDDNHRTSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)NCc2cnn(CCF)c2)c1O ZINC000903274618 743833635 /nfs/dbraw/zinc/83/36/35/743833635.db2.gz PIBRKTVYUDWHMT-SNVBAGLBSA-N 0 3 372.238 3.180 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(C)cc1[O-] ZINC000903434839 743850884 /nfs/dbraw/zinc/85/08/84/743850884.db2.gz NURWSDYFBRBNSK-TZMCWYRMSA-N 0 3 362.861 3.169 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000092012275 494754627 /nfs/dbraw/zinc/75/46/27/494754627.db2.gz CTUMEXXLTHHVCX-QUCCMNQESA-N 0 3 356.514 3.212 20 10 FGCDHN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179529611 495629188 /nfs/dbraw/zinc/62/91/88/495629188.db2.gz ZWAQSCNLXSYYFA-SFHVURJKSA-N 0 3 368.477 3.390 20 10 FGCDHN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179529611 495629195 /nfs/dbraw/zinc/62/91/95/495629195.db2.gz ZWAQSCNLXSYYFA-SFHVURJKSA-N 0 3 368.477 3.390 20 10 FGCDHN Cc1cccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1[O-] ZINC000179899009 495775852 /nfs/dbraw/zinc/77/58/52/495775852.db2.gz YIVRLOOTQMDQRT-UHFFFAOYSA-N 0 3 358.507 3.333 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000180018481 495824701 /nfs/dbraw/zinc/82/47/01/495824701.db2.gz WRMWXQVXSHWUQT-UHFFFAOYSA-N 0 3 354.385 3.356 20 10 FGCDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCCO1 ZINC000160198243 495907072 /nfs/dbraw/zinc/90/70/72/495907072.db2.gz UOOWEKGMPXYOOF-LJQANCHMSA-N 0 3 364.449 3.359 20 10 FGCDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCCO1 ZINC000160198243 495907075 /nfs/dbraw/zinc/90/70/75/495907075.db2.gz UOOWEKGMPXYOOF-LJQANCHMSA-N 0 3 364.449 3.359 20 10 FGCDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC000180848247 496170098 /nfs/dbraw/zinc/17/00/98/496170098.db2.gz DLOKMMJPZIAAPW-ACMHHVSHSA-N 0 3 366.461 3.280 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3COC)c2)CC1 ZINC000184256570 496306691 /nfs/dbraw/zinc/30/66/91/496306691.db2.gz FUCULKJSOUTMNX-UHFFFAOYSA-N 0 3 353.466 3.227 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000185118750 496668045 /nfs/dbraw/zinc/66/80/45/496668045.db2.gz CWSAGKKMQPOAFJ-INIZCTEOSA-N 0 3 370.493 3.460 20 10 FGCDHN COc1ccc([O-])c(C[NH2+]CCCc2nnc(SC)n2CC(C)C)c1 ZINC000182205680 496706595 /nfs/dbraw/zinc/70/65/95/496706595.db2.gz NBRTWORHOYHUIY-UHFFFAOYSA-N 0 3 364.515 3.093 20 10 FGCDHN CC[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000158483922 496711480 /nfs/dbraw/zinc/71/14/80/496711480.db2.gz OPEIWXUXGBHPMS-OAQYLSRUSA-N 0 3 367.541 3.140 20 10 FGCDHN Cc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)c(O)c1C ZINC000273298389 496767420 /nfs/dbraw/zinc/76/74/20/496767420.db2.gz ASBHPDNPLVEKRP-OAHLLOKOSA-N 0 3 362.495 3.110 20 10 FGCDHN O=C1NCCN1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000269398625 496938591 /nfs/dbraw/zinc/93/85/91/496938591.db2.gz CPNSDQSZWKDBPL-UHFFFAOYSA-N 0 3 351.450 3.049 20 10 FGCDHN Cc1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000270925145 497228009 /nfs/dbraw/zinc/22/80/09/497228009.db2.gz KOQCJYCLWOIMKH-INIZCTEOSA-N 0 3 354.498 3.291 20 10 FGCDHN COc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000271179118 497282679 /nfs/dbraw/zinc/28/26/79/497282679.db2.gz LDXBHMAVQHZSSK-DZGCQCFKSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000271179118 497282681 /nfs/dbraw/zinc/28/26/81/497282681.db2.gz LDXBHMAVQHZSSK-DZGCQCFKSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[O-] ZINC000271179118 497282683 /nfs/dbraw/zinc/28/26/83/497282683.db2.gz LDXBHMAVQHZSSK-DZGCQCFKSA-N 0 3 350.459 3.136 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271780124 497446582 /nfs/dbraw/zinc/44/65/82/497446582.db2.gz HLZFTCZKHPAGNZ-CYBMUJFWSA-N 0 3 374.403 3.024 20 10 FGCDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000271780124 497446587 /nfs/dbraw/zinc/44/65/87/497446587.db2.gz HLZFTCZKHPAGNZ-CYBMUJFWSA-N 0 3 374.403 3.024 20 10 FGCDHN CCOC1CC(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])(N2CCOCC2)C1 ZINC000280093848 497647288 /nfs/dbraw/zinc/64/72/88/497647288.db2.gz MQLVXUZTHNLVFL-BIXGBWIQSA-N 0 3 362.514 3.011 20 10 FGCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000273132103 497802256 /nfs/dbraw/zinc/80/22/56/497802256.db2.gz BWOFFEQRJJRPPJ-MRXNPFEDSA-N 0 3 368.477 3.057 20 10 FGCDHN O=C(CN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1)Nc1ccccc1 ZINC000295872127 497838379 /nfs/dbraw/zinc/83/83/79/497838379.db2.gz HDIRUXMEGDRUPV-IBGZPJMESA-N 0 3 365.477 3.072 20 10 FGCDHN COc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1[O-] ZINC000289419551 498139615 /nfs/dbraw/zinc/13/96/15/498139615.db2.gz IWMJDRPNPINCMF-UHFFFAOYSA-N 0 3 374.868 3.449 20 10 FGCDHN COc1cccc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])c1O ZINC000289431477 498144334 /nfs/dbraw/zinc/14/43/34/498144334.db2.gz KUPFRSIOYZIANF-UHFFFAOYSA-N 0 3 352.228 3.467 20 10 FGCDHN CCOc1cccc(CNCc2ccncc2OCC(F)(F)F)c1O ZINC000282227808 498431225 /nfs/dbraw/zinc/43/12/25/498431225.db2.gz NEBVEOKNQMEVEP-UHFFFAOYSA-N 0 3 356.344 3.417 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000361988233 498449173 /nfs/dbraw/zinc/44/91/73/498449173.db2.gz DGPFOLBHEGLEDW-HNNXBMFYSA-N 0 3 362.271 3.209 20 10 FGCDHN CCOCc1cc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1OC ZINC000365669182 498589075 /nfs/dbraw/zinc/58/90/75/498589075.db2.gz SDMGUBTWOJYXJP-VQTJNVASSA-N 0 3 363.498 3.032 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c([O-])c1 ZINC000363176237 498688187 /nfs/dbraw/zinc/68/81/87/498688187.db2.gz GZDJDGMXUMPKLH-UWJYYQICSA-N 0 3 372.513 3.087 20 10 FGCDHN C[C@@H]1CN(c2ccc(CNCc3c[nH]c4nccnc34)cc2F)C[C@H](C)O1 ZINC000290829060 498692455 /nfs/dbraw/zinc/69/24/55/498692455.db2.gz HUHIZQNLFKNASX-OKILXGFUSA-N 0 3 369.444 3.000 20 10 FGCDHN COC1CCN(c2ccc(CN3CCC(c4ncc[nH]4)CC3)cc2)CC1 ZINC000294908633 498846331 /nfs/dbraw/zinc/84/63/31/498846331.db2.gz HPXYDLFPOCOBKE-UHFFFAOYSA-N 0 3 354.498 3.405 20 10 FGCDHN COc1cc([O-])c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)cc1OC ZINC000295054456 498894656 /nfs/dbraw/zinc/89/46/56/498894656.db2.gz GAJGNDKPIHQMDP-ZDUSSCGKSA-N 0 3 368.474 3.192 20 10 FGCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000283488363 498901865 /nfs/dbraw/zinc/90/18/65/498901865.db2.gz XTDOUOWTSMECIG-XERREHJYSA-N 0 3 359.510 3.489 20 10 FGCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366565986 498980662 /nfs/dbraw/zinc/98/06/62/498980662.db2.gz FNFUQGKPEBTKHK-QGZVFWFLSA-N 0 3 373.522 3.139 20 10 FGCDHN CCOc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1O ZINC000299171590 498985762 /nfs/dbraw/zinc/98/57/62/498985762.db2.gz SKDQNULYMYWXAG-UHFFFAOYSA-N 0 3 370.493 3.289 20 10 FGCDHN COC1CCN(c2ccc(CN3CCC(NC(=O)C(C)C)CC3)cc2)CC1 ZINC000295553602 499050381 /nfs/dbraw/zinc/05/03/81/499050381.db2.gz PQMWXRHJPJVUQR-UHFFFAOYSA-N 0 3 373.541 3.038 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1[O-] ZINC000367068205 499143259 /nfs/dbraw/zinc/14/32/59/499143259.db2.gz PXTZTGHJAOLRSJ-FSBGKCOPSA-N 0 3 367.287 3.171 20 10 FGCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c([O-])c1 ZINC000367343620 499185147 /nfs/dbraw/zinc/18/51/47/499185147.db2.gz NURJOOYLNUIZNS-INIZCTEOSA-N 0 3 372.465 3.416 20 10 FGCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c([O-])c1 ZINC000367343620 499185149 /nfs/dbraw/zinc/18/51/49/499185149.db2.gz NURJOOYLNUIZNS-INIZCTEOSA-N 0 3 372.465 3.416 20 10 FGCDHN COc1ccc(C(=O)N2CCCN(Cc3cccc(C)c3O)CC2)cc1 ZINC000367745179 499230129 /nfs/dbraw/zinc/23/01/29/499230129.db2.gz DNTWLKSHZNPXDH-UHFFFAOYSA-N 0 3 354.450 3.057 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000368175180 499271438 /nfs/dbraw/zinc/27/14/38/499271438.db2.gz UYACYFCKGQQCAD-KNQAVFIVSA-N 0 3 369.461 3.399 20 10 FGCDHN CCn1ncc2c1CCC[C@H]2N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000371485140 499333003 /nfs/dbraw/zinc/33/30/03/499333003.db2.gz KSOVMMDOOHZQKS-OXJNMPFZSA-N 0 3 354.498 3.468 20 10 FGCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000373251110 499459754 /nfs/dbraw/zinc/45/97/54/499459754.db2.gz CNLKMVALEQUINJ-MRXNPFEDSA-N 0 3 355.482 3.154 20 10 FGCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(F)ccc1[O-] ZINC000376132837 499585625 /nfs/dbraw/zinc/58/56/25/499585625.db2.gz RTWGHORYQSXZJM-LLVKDONJSA-N 0 3 365.836 3.468 20 10 FGCDHN COc1ccccc1COC[C@@H](O)CNCc1c(C)c2ccccc2n1C ZINC000579344935 506152344 /nfs/dbraw/zinc/15/23/44/506152344.db2.gz NEQSHTXLHBRVFV-SFHVURJKSA-N 0 3 368.477 3.163 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CCN(C(C)C)C3)ccc21 ZINC000457119255 501653916 /nfs/dbraw/zinc/65/39/16/501653916.db2.gz NIHTUGJAHOYJPR-LJQANCHMSA-N 0 3 371.525 3.459 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826268801 609145493 /nfs/dbraw/zinc/14/54/93/609145493.db2.gz OCYHAOPMPKIUBP-CYBMUJFWSA-N 0 3 354.433 3.231 20 10 FGCDHN COc1cc(Br)cc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1[O-] ZINC000093686549 700453592 /nfs/dbraw/zinc/45/35/92/700453592.db2.gz FPHOAAKWKPKNLU-UHFFFAOYSA-N 0 3 374.275 3.327 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1[O-] ZINC000093686549 700453596 /nfs/dbraw/zinc/45/35/96/700453596.db2.gz FPHOAAKWKPKNLU-UHFFFAOYSA-N 0 3 374.275 3.327 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1[O-] ZINC000105442786 700501047 /nfs/dbraw/zinc/50/10/47/700501047.db2.gz UVZLLONRIZCTIO-NSHDSACASA-N 0 3 368.275 3.094 20 10 FGCDHN C[C@H](NCCOC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000121040221 700664419 /nfs/dbraw/zinc/66/44/19/700664419.db2.gz BCRNXQPBFBGEDT-DOTOQJQBSA-N 0 3 368.905 3.023 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2cccs2)c1[O-] ZINC000152996940 704981939 /nfs/dbraw/zinc/98/19/39/704981939.db2.gz SRTKPMBYCHEPFD-OAHLLOKOSA-N 0 3 372.284 3.222 20 10 FGCDHN CCN(CC)c1ccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000774394274 723888418 /nfs/dbraw/zinc/88/84/18/723888418.db2.gz OXNLDUMGTGNDBG-OAHLLOKOSA-N 0 3 361.511 3.031 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCOC1 ZINC000780723212 724495565 /nfs/dbraw/zinc/49/55/65/724495565.db2.gz HEKPIJVQCZIJSN-RLFYNMQTSA-N 0 3 352.906 3.415 20 10 FGCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000756492983 722965535 /nfs/dbraw/zinc/96/55/35/722965535.db2.gz BJCGCMPWZGLWKX-VXGBXAGGSA-N 0 3 352.431 3.315 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000758497328 722990701 /nfs/dbraw/zinc/99/07/01/722990701.db2.gz ZUBWPXFQUYRUOS-KRWDZBQOSA-N 0 3 358.507 3.108 20 10 FGCDHN CN(C)c1ccc(CNCc2ccc(Cl)cc2-n2cncn2)cc1F ZINC000792941933 723384645 /nfs/dbraw/zinc/38/46/45/723384645.db2.gz XFIZFXGIFAZTBA-UHFFFAOYSA-N 0 3 359.836 3.416 20 10 FGCDHN COC(=O)C(C)(C)CC[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000792979427 723389453 /nfs/dbraw/zinc/38/94/53/723389453.db2.gz IIMXEYCYOATJNF-INIZCTEOSA-N 0 3 368.905 3.189 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000794803869 723546709 /nfs/dbraw/zinc/54/67/09/723546709.db2.gz SNHNFDOHECLVBY-SFHVURJKSA-N 0 3 362.495 3.192 20 10 FGCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000766027922 723551989 /nfs/dbraw/zinc/55/19/89/723551989.db2.gz BBCJFCBXNGGUAF-HNNXBMFYSA-N 0 3 361.511 3.283 20 10 FGCDHN Oc1cc2c(cc1CN1CC[C@H](Oc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463445 723658438 /nfs/dbraw/zinc/65/84/38/723658438.db2.gz TYDTZWGOYAXAPN-SUMWQHHRSA-N 0 3 361.825 3.125 20 10 FGCDHN CCOc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769334753 723682746 /nfs/dbraw/zinc/68/27/46/723682746.db2.gz QXFLADIUIFYKOJ-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769334753 723682747 /nfs/dbraw/zinc/68/27/47/723682747.db2.gz QXFLADIUIFYKOJ-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN CN1CCN(c2ccc(CN[C@@H]3COc4c3cccc4Cl)cc2)CC1 ZINC000771841016 723743410 /nfs/dbraw/zinc/74/34/10/723743410.db2.gz CITBSMBNHPVBGS-LJQANCHMSA-N 0 3 357.885 3.315 20 10 FGCDHN [O-]c1c(Br)cccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000771928072 723745656 /nfs/dbraw/zinc/74/56/56/723745656.db2.gz NLENUTATTWBKNO-UHFFFAOYSA-N 0 3 361.283 3.473 20 10 FGCDHN C[C@H](NCC1([S@](C)=O)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798003985 723897782 /nfs/dbraw/zinc/89/77/82/723897782.db2.gz KARPXJKUFNQVHF-BSEYFRJRSA-N 0 3 370.946 3.128 20 10 FGCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500121 723996461 /nfs/dbraw/zinc/99/64/61/723996461.db2.gz WKSAJTFNKZSRPM-QAPCUYQASA-N 0 3 353.938 3.360 20 10 FGCDHN CCOC(=O)[C@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000775634215 724013551 /nfs/dbraw/zinc/01/35/51/724013551.db2.gz PALYHGCWHKVVSZ-LBPRGKRZSA-N 0 3 356.260 3.238 20 10 FGCDHN C[C@@H](NCC(=O)Nc1cccc2nsnc21)c1ccc(N(C)C)cc1 ZINC000775835705 724069267 /nfs/dbraw/zinc/06/92/67/724069267.db2.gz IGHSPPJETPSLFZ-GFCCVEGCSA-N 0 3 355.467 3.047 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1[O-] ZINC000776257575 724124553 /nfs/dbraw/zinc/12/45/53/724124553.db2.gz YKGDJMXKESCZMF-CQSZACIVSA-N 0 3 356.260 3.238 20 10 FGCDHN CC[C@H]([NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000809663668 725257538 /nfs/dbraw/zinc/25/75/38/725257538.db2.gz SPPOQHLVMOMMOT-YJBOKZPZSA-N 0 3 362.495 3.190 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+](C)CCn2cc(Br)cn2)c1[O-] ZINC000809793212 725269348 /nfs/dbraw/zinc/26/93/48/725269348.db2.gz ULGOTYUWODPWCN-UHFFFAOYSA-N 0 3 358.667 3.445 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCn2cc(Br)cn2)c1[O-] ZINC000809793212 725269349 /nfs/dbraw/zinc/26/93/49/725269349.db2.gz ULGOTYUWODPWCN-UHFFFAOYSA-N 0 3 358.667 3.445 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1[O-] ZINC000812782917 726811093 /nfs/dbraw/zinc/81/10/93/726811093.db2.gz PBLGDLOLUZVWSV-CYBMUJFWSA-N 0 3 364.804 3.088 20 10 FGCDHN CCN1CCN(CCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000815558942 727084012 /nfs/dbraw/zinc/08/40/12/727084012.db2.gz SDSDTHJNVIKDST-CQSZACIVSA-N 0 3 359.436 3.089 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000824514645 729344535 /nfs/dbraw/zinc/34/45/35/729344535.db2.gz AJDIZXRTTVXKPJ-ZDUSSCGKSA-N 0 3 351.855 3.015 20 10 FGCDHN COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)s1 ZINC000827942902 729437546 /nfs/dbraw/zinc/43/75/46/729437546.db2.gz UHXHAZZRZOZRNV-NSHDSACASA-N 0 3 350.415 3.154 20 10 FGCDHN COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)s1 ZINC000827942902 729437547 /nfs/dbraw/zinc/43/75/47/729437547.db2.gz UHXHAZZRZOZRNV-NSHDSACASA-N 0 3 350.415 3.154 20 10 FGCDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000842643332 730524068 /nfs/dbraw/zinc/52/40/68/730524068.db2.gz NBWCTVYLQBMQKV-KRWDZBQOSA-N 0 3 352.356 3.046 20 10 FGCDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000842643332 730524071 /nfs/dbraw/zinc/52/40/71/730524071.db2.gz NBWCTVYLQBMQKV-KRWDZBQOSA-N 0 3 352.356 3.046 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCn2cccn2)c1[O-] ZINC000848517513 731174255 /nfs/dbraw/zinc/17/42/55/731174255.db2.gz DZSSOELUNKFMQK-NSHDSACASA-N 0 3 354.248 3.101 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1[O-] ZINC000848520405 731174816 /nfs/dbraw/zinc/17/48/16/731174816.db2.gz ITJQGCINGSUJAN-IINYFYTJSA-N 0 3 357.292 3.154 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1[O-] ZINC000848525084 731175312 /nfs/dbraw/zinc/17/53/12/731175312.db2.gz MSEOQJBWNFNSBU-PWSUYJOCSA-N 0 3 355.276 3.051 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1[O-] ZINC000848533686 731176972 /nfs/dbraw/zinc/17/69/72/731176972.db2.gz JRFLHNPPSGOSIJ-SNVBAGLBSA-N 0 3 373.291 3.119 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCOCC(F)F)c1[O-] ZINC000848547537 731179524 /nfs/dbraw/zinc/17/95/24/731179524.db2.gz QMEVVSYWQIZNKL-QMMMGPOBSA-N 0 3 354.191 3.096 20 10 FGCDHN COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])[C@@H]1CCCO1 ZINC000848549012 731179828 /nfs/dbraw/zinc/17/98/28/731179828.db2.gz IXSJAASBOPMAND-SWHYSGLUSA-N 0 3 374.275 3.008 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000850563296 731373598 /nfs/dbraw/zinc/37/35/98/731373598.db2.gz VRQXTWXTOVQDAW-HIFRSBDPSA-N 0 3 351.878 3.295 20 10 FGCDHN Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C)nc1Br ZINC000858179408 732189722 /nfs/dbraw/zinc/18/97/22/732189722.db2.gz MXQSYTOGNAGWDD-ZDUSSCGKSA-N 0 3 365.319 3.278 20 10 FGCDHN CCOC(=O)c1ccc(CNCc2ccc(N3CCSCC3)cc2)[nH]1 ZINC000876942785 736165957 /nfs/dbraw/zinc/16/59/57/736165957.db2.gz FNCGPOQRIHVCPH-UHFFFAOYSA-N 0 3 359.495 3.034 20 10 FGCDHN Cc1cccc(O)c1CNCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000876985838 736170852 /nfs/dbraw/zinc/17/08/52/736170852.db2.gz RKFVVFZZGFOSQY-UHFFFAOYSA-N 0 3 362.495 3.067 20 10 FGCDHN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879649751 737023292 /nfs/dbraw/zinc/02/32/92/737023292.db2.gz FUTRRZKCNGRRKE-NWDGAFQWSA-N 0 3 362.451 3.227 20 10 FGCDHN CN1CCN(c2ccc(CNCc3occc3Br)cc2)CC1 ZINC000883283476 737546756 /nfs/dbraw/zinc/54/67/56/737546756.db2.gz HEDKQUHUXYSZBJ-UHFFFAOYSA-N 0 3 364.287 3.084 20 10 FGCDHN NC(=O)C1CCN(c2ccc(CNCc3ccc(Cl)s3)cc2)CC1 ZINC000886325485 739244220 /nfs/dbraw/zinc/24/42/20/739244220.db2.gz HNQAZFJUXLLBKN-UHFFFAOYSA-N 0 3 363.914 3.393 20 10 FGCDHN COc1cc(CN2CC[C@](CO)(C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000895837300 742460471 /nfs/dbraw/zinc/46/04/71/742460471.db2.gz KWLZGNBKOUMFNL-KRWDZBQOSA-N 0 3 361.404 3.445 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896983985 742626514 /nfs/dbraw/zinc/62/65/14/742626514.db2.gz GIXHBVSIZQENJN-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896983985 742626516 /nfs/dbraw/zinc/62/65/16/742626516.db2.gz GIXHBVSIZQENJN-AWEZNQCLSA-N 0 3 350.459 3.138 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c1[O-] ZINC000903273596 743833078 /nfs/dbraw/zinc/83/30/78/743833078.db2.gz BMRITCRTHMFEJL-LLVKDONJSA-N 0 3 356.239 3.480 20 10 FGCDHN c1cc(CNCc2ccc3c(c2)CCCO3)cc(N2CCSCC2)n1 ZINC000922303369 758888551 /nfs/dbraw/zinc/88/85/51/758888551.db2.gz ILMXOZRLSYSFFQ-UHFFFAOYSA-N 0 3 355.507 3.250 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCNc2ncccn2)c1[O-] ZINC000779027689 724382584 /nfs/dbraw/zinc/38/25/84/724382584.db2.gz SLLDTBNVDLISLK-LBPRGKRZSA-N 0 3 365.275 3.406 20 10 FGCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779040846 724383777 /nfs/dbraw/zinc/38/37/77/724383777.db2.gz MAIBTZQGIFLHPO-ZKYQVNSYSA-N 0 3 355.276 3.028 20 10 FGCDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCN1Cc1ccccc1 ZINC000080105837 494597516 /nfs/dbraw/zinc/59/75/16/494597516.db2.gz GJYDNRUNRXAZFL-APWZRJJASA-N 0 3 353.466 3.245 20 10 FGCDHN CC[C@H](NCc1ccc(OCCO)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000127695829 494983421 /nfs/dbraw/zinc/98/34/21/494983421.db2.gz CUUHFPYWGCYQGS-IBGZPJMESA-N 0 3 358.482 3.373 20 10 FGCDHN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000122786478 495031403 /nfs/dbraw/zinc/03/14/03/495031403.db2.gz VTKTVFRTSCXRTQ-HNNXBMFYSA-N 0 3 371.481 3.277 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000123087254 495078479 /nfs/dbraw/zinc/07/84/79/495078479.db2.gz UKDNKBSOEVYHCT-UHFFFAOYSA-N 0 3 354.450 3.185 20 10 FGCDHN C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000130429859 495390934 /nfs/dbraw/zinc/39/09/34/495390934.db2.gz ROBMPKSXIYTVNR-JLTOFOAXSA-N 0 3 362.420 3.186 20 10 FGCDHN COc1ccc(O)c(CN[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185605408 495640728 /nfs/dbraw/zinc/64/07/28/495640728.db2.gz QGINEZFXRLKBSA-IBGZPJMESA-N 0 3 358.413 3.123 20 10 FGCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185605408 495640736 /nfs/dbraw/zinc/64/07/36/495640736.db2.gz QGINEZFXRLKBSA-IBGZPJMESA-N 0 3 358.413 3.123 20 10 FGCDHN COc1ccc(O)c(CN2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000179687244 495690187 /nfs/dbraw/zinc/69/01/87/495690187.db2.gz WELFGIOGITVYGS-UHFFFAOYSA-N 0 3 354.450 3.104 20 10 FGCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000183022790 495802013 /nfs/dbraw/zinc/80/20/13/495802013.db2.gz IEJFGWFLQAUIBV-UHFFFAOYSA-N 0 3 364.449 3.400 20 10 FGCDHN COc1cc(O)c(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1OC ZINC000159786384 495808742 /nfs/dbraw/zinc/80/87/42/495808742.db2.gz SUSSZPMSYDMVDH-NRFANRHFSA-N 0 3 357.450 3.355 20 10 FGCDHN C[C@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000186040827 495832346 /nfs/dbraw/zinc/83/23/46/495832346.db2.gz LWEXLPNUKHEBQH-INIZCTEOSA-N 0 3 373.522 3.143 20 10 FGCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Cl)ccc1[O-] ZINC000186126712 495866303 /nfs/dbraw/zinc/86/63/03/495866303.db2.gz UFHASMNEOJYTKJ-IRWQIABSSA-N 0 3 352.906 3.464 20 10 FGCDHN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc(OC)ccc1O ZINC000186164356 495879796 /nfs/dbraw/zinc/87/97/96/495879796.db2.gz LFQBREOWPUBDLR-GJZGRUSLSA-N 0 3 363.479 3.304 20 10 FGCDHN C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2)C[C@@H](C)O1 ZINC000180520597 496030981 /nfs/dbraw/zinc/03/09/81/496030981.db2.gz CJMVMZFTISVEDL-HUUCEWRRSA-N 0 3 372.440 3.071 20 10 FGCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])CC2 ZINC000187146776 496312939 /nfs/dbraw/zinc/31/29/39/496312939.db2.gz QAJMOFWVDJIMQT-GXFFZTMASA-N 0 3 365.275 3.029 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000185109469 496664530 /nfs/dbraw/zinc/66/45/30/496664530.db2.gz ISPIEHYJDPWUSB-LSDHHAIUSA-N 0 3 362.495 3.363 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)ccc2N2CCOCC2)c1 ZINC000273363380 496783941 /nfs/dbraw/zinc/78/39/41/496783941.db2.gz AXGKEJSBPRPNCR-AWEZNQCLSA-N 0 3 360.429 3.227 20 10 FGCDHN C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387929 496791778 /nfs/dbraw/zinc/79/17/78/496791778.db2.gz KAESHYUUTQUEKN-AWEZNQCLSA-N 0 3 359.426 3.092 20 10 FGCDHN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000273446620 496808648 /nfs/dbraw/zinc/80/86/48/496808648.db2.gz KFMCLFJXPJTQOX-KRWDZBQOSA-N 0 3 360.546 3.405 20 10 FGCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c([O-])c1 ZINC000273463012 496812621 /nfs/dbraw/zinc/81/26/21/496812621.db2.gz DDSAGWGHFMDBNZ-LSDHHAIUSA-N 0 3 362.495 3.363 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000273618382 496854845 /nfs/dbraw/zinc/85/48/45/496854845.db2.gz YHDNQVWKYZTOHO-XIKOKIGWSA-N 0 3 355.413 3.021 20 10 FGCDHN COc1cc([O-])c(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1OC ZINC000278570877 497155662 /nfs/dbraw/zinc/15/56/62/497155662.db2.gz CABNLLWDTLRZPI-UHFFFAOYSA-N 0 3 371.477 3.227 20 10 FGCDHN COc1cc(O)c(CN2CCC(CO)(Cc3ccccc3)CC2)cc1OC ZINC000278570877 497155666 /nfs/dbraw/zinc/15/56/66/497155666.db2.gz CABNLLWDTLRZPI-UHFFFAOYSA-N 0 3 371.477 3.227 20 10 FGCDHN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1CCN(C2CC2)CC1 ZINC000278920470 497267579 /nfs/dbraw/zinc/26/75/79/497267579.db2.gz DANLRWYIDRQYTD-UHFFFAOYSA-N 0 3 361.449 3.209 20 10 FGCDHN CC[N@H+](Cc1cnn(CCOC)c1)Cc1cc(Br)ccc1[O-] ZINC000271234284 497298808 /nfs/dbraw/zinc/29/88/08/497298808.db2.gz VWWHRBNFVDUKFI-UHFFFAOYSA-N 0 3 368.275 3.020 20 10 FGCDHN CC[N@@H+](Cc1cnn(CCOC)c1)Cc1cc(Br)ccc1[O-] ZINC000271234284 497298810 /nfs/dbraw/zinc/29/88/10/497298810.db2.gz VWWHRBNFVDUKFI-UHFFFAOYSA-N 0 3 368.275 3.020 20 10 FGCDHN CC[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(C)cc1[O-] ZINC000279957325 497602068 /nfs/dbraw/zinc/60/20/68/497602068.db2.gz CCYFCAFQSDFVMA-IBGZPJMESA-N 0 3 354.498 3.088 20 10 FGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555509 497662208 /nfs/dbraw/zinc/66/22/08/497662208.db2.gz ZHEMRKSWYNSLGW-GRWKNNQQSA-N 0 3 366.461 3.138 20 10 FGCDHN C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000277019194 497717471 /nfs/dbraw/zinc/71/74/71/497717471.db2.gz DBTMSJZPHOSLSG-HNNXBMFYSA-N 0 3 352.482 3.381 20 10 FGCDHN O=C(NCc1ccccc1O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000263697280 497809379 /nfs/dbraw/zinc/80/93/79/497809379.db2.gz HSHGTDRONIWFBW-OAHLLOKOSA-N 0 3 359.495 3.165 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]31)OCO2 ZINC000285176821 498013493 /nfs/dbraw/zinc/01/34/93/498013493.db2.gz QTQRXBUKSMROAL-SQNIBIBYSA-N 0 3 353.418 3.125 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]31)OCO2 ZINC000285176821 498013499 /nfs/dbraw/zinc/01/34/99/498013499.db2.gz QTQRXBUKSMROAL-SQNIBIBYSA-N 0 3 353.418 3.125 20 10 FGCDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296550552 498091560 /nfs/dbraw/zinc/09/15/60/498091560.db2.gz OQSGLOORYZGOEB-SFHVURJKSA-N 0 3 360.498 3.077 20 10 FGCDHN COc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000289519438 498176260 /nfs/dbraw/zinc/17/62/60/498176260.db2.gz VFTMNNCRZFIETM-LJQANCHMSA-N 0 3 350.459 3.138 20 10 FGCDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccn1C ZINC000362259116 498483075 /nfs/dbraw/zinc/48/30/75/498483075.db2.gz TUXPGKZBJBBCDH-ZDUSSCGKSA-N 0 3 350.413 3.341 20 10 FGCDHN CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1[O-] ZINC000283082596 498772913 /nfs/dbraw/zinc/77/29/13/498772913.db2.gz VSTQZZSJWCLRGN-QGZVFWFLSA-N 0 3 355.438 3.187 20 10 FGCDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1cc(F)ccc1[O-] ZINC000363851447 499025898 /nfs/dbraw/zinc/02/58/98/499025898.db2.gz IJMSEFZDGLLBOD-IUODEOHRSA-N 0 3 360.433 3.107 20 10 FGCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c([O-])c1 ZINC000284115803 499051296 /nfs/dbraw/zinc/05/12/96/499051296.db2.gz NNEFGJQGYOSKGC-KRWDZBQOSA-N 0 3 354.498 3.007 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588622 499150040 /nfs/dbraw/zinc/15/00/40/499150040.db2.gz CGPAUWVGGLODPG-GJZGRUSLSA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588622 499150043 /nfs/dbraw/zinc/15/00/43/499150043.db2.gz CGPAUWVGGLODPG-GJZGRUSLSA-N 0 3 374.485 3.175 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588622 499150046 /nfs/dbraw/zinc/15/00/46/499150046.db2.gz CGPAUWVGGLODPG-GJZGRUSLSA-N 0 3 374.485 3.175 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1[O-] ZINC000367348245 499185861 /nfs/dbraw/zinc/18/58/61/499185861.db2.gz GOGHVGFKRRHTIP-AWEZNQCLSA-N 0 3 350.260 3.364 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1[O-] ZINC000367348246 499186084 /nfs/dbraw/zinc/18/60/84/499186084.db2.gz GOGHVGFKRRHTIP-CQSZACIVSA-N 0 3 350.260 3.364 20 10 FGCDHN CN(C)c1ccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1F ZINC000367349290 499186101 /nfs/dbraw/zinc/18/61/01/499186101.db2.gz NQYDXXTUWJBJLM-MRXNPFEDSA-N 0 3 359.445 3.127 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000367376685 499191196 /nfs/dbraw/zinc/19/11/96/499191196.db2.gz CULIUUYUHIDWBG-BQFCYCMXSA-N 0 3 358.461 3.178 20 10 FGCDHN CC[C@@H](c1ccccc1[O-])[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000367376685 499191199 /nfs/dbraw/zinc/19/11/99/499191199.db2.gz CULIUUYUHIDWBG-BQFCYCMXSA-N 0 3 358.461 3.178 20 10 FGCDHN CC(C)c1nc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)no1 ZINC000371332014 499311725 /nfs/dbraw/zinc/31/17/25/499311725.db2.gz MJVCMSMFTQVYCY-UHFFFAOYSA-N 0 3 370.497 3.409 20 10 FGCDHN Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000371375950 499317057 /nfs/dbraw/zinc/31/70/57/499317057.db2.gz WQNCUUHBEMKUDL-KRWDZBQOSA-N 0 3 366.465 3.333 20 10 FGCDHN Cc1nc(CN2CCC[C@H]([N@@H+](C)Cc3c([O-])ccc4ccccc43)C2)no1 ZINC000371375950 499317058 /nfs/dbraw/zinc/31/70/58/499317058.db2.gz WQNCUUHBEMKUDL-KRWDZBQOSA-N 0 3 366.465 3.333 20 10 FGCDHN CCn1ccnc1CN1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000371415890 499323662 /nfs/dbraw/zinc/32/36/62/499323662.db2.gz DKCUUJJSCHBATF-UHFFFAOYSA-N 0 3 364.493 3.470 20 10 FGCDHN CCn1ccnc1CN1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000371415890 499323664 /nfs/dbraw/zinc/32/36/64/499323664.db2.gz DKCUUJJSCHBATF-UHFFFAOYSA-N 0 3 364.493 3.470 20 10 FGCDHN COc1ccc([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371567201 499342728 /nfs/dbraw/zinc/34/27/28/499342728.db2.gz YWDJXTKUCWBVFZ-GOSISDBHSA-N 0 3 358.482 3.015 20 10 FGCDHN c1nn([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c2ccccc12 ZINC000371581979 499344408 /nfs/dbraw/zinc/34/44/08/499344408.db2.gz SYXAQEJXYJVMEX-OAQYLSRUSA-N 0 3 362.477 3.320 20 10 FGCDHN CCOc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1[O-] ZINC000369540680 499414702 /nfs/dbraw/zinc/41/47/02/499414702.db2.gz KDZQMVFSMMERMO-PXNSSMCTSA-N 0 3 354.450 3.100 20 10 FGCDHN COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c([O-])c1 ZINC000373467311 499471628 /nfs/dbraw/zinc/47/16/28/499471628.db2.gz REFDNYHQYLKUMA-UHFFFAOYSA-N 0 3 374.868 3.449 20 10 FGCDHN Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H](C)c2cc(F)ccc2[O-])oc1C ZINC000377765545 499730691 /nfs/dbraw/zinc/73/06/91/499730691.db2.gz CWLAAPDEEFINOQ-RCBQFDQVSA-N 0 3 365.424 3.399 20 10 FGCDHN Cc1nc2ccccn2c(=O)c1CCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000377826536 499739387 /nfs/dbraw/zinc/73/93/87/499739387.db2.gz NNHXEXXMISNGKP-UHFFFAOYSA-N 0 3 374.488 3.011 20 10 FGCDHN CCN1CCC(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490181426 503124016 /nfs/dbraw/zinc/12/40/16/503124016.db2.gz GVDNFIFOMUJQTR-UHFFFAOYSA-N 0 3 357.498 3.119 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)CC[C@@H]3C)ccc21 ZINC000498708900 503244151 /nfs/dbraw/zinc/24/41/51/503244151.db2.gz XQXZCZFXVFUNHV-HNNXBMFYSA-N 0 3 357.498 3.071 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1[O-] ZINC000527804746 503952291 /nfs/dbraw/zinc/95/22/91/503952291.db2.gz AYHWSZHNZUXVIY-HNNXBMFYSA-N 0 3 369.303 3.270 20 10 FGCDHN C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C[C@@H]1n1ccnc1 ZINC000091959666 700429413 /nfs/dbraw/zinc/42/94/13/700429413.db2.gz UDGPHXLTGYGNNT-DOMZBBRYSA-N 0 3 350.260 3.434 20 10 FGCDHN C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C[C@@H]1n1ccnc1 ZINC000091959666 700429416 /nfs/dbraw/zinc/42/94/16/700429416.db2.gz UDGPHXLTGYGNNT-DOMZBBRYSA-N 0 3 350.260 3.434 20 10 FGCDHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092665221 700439511 /nfs/dbraw/zinc/43/95/11/700439511.db2.gz OLFPFJREXSLKLW-HZPDHXFCSA-N 0 3 351.922 3.036 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc3c2N=S=N3)c1 ZINC000182437787 705842303 /nfs/dbraw/zinc/84/23/03/705842303.db2.gz KFUUOHHHWXXVOH-JTQLQIEISA-N 0 3 358.423 3.417 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000182440982 705842710 /nfs/dbraw/zinc/84/27/10/705842710.db2.gz XJQHAEFYDPCXQC-NSHDSACASA-N 0 3 359.451 3.240 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000378873140 713974822 /nfs/dbraw/zinc/97/48/22/713974822.db2.gz SWFZEXXMAIQQFM-NSHDSACASA-N 0 3 358.866 3.447 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000381406826 713978731 /nfs/dbraw/zinc/97/87/31/713978731.db2.gz WSYBAUIJPGWIQT-WDEREUQCSA-N 0 3 358.866 3.446 20 10 FGCDHN CCN(CCCN1CCN(c2ccc(OC)cc2)CC1)CC(F)(F)F ZINC000771752780 723741648 /nfs/dbraw/zinc/74/16/48/723741648.db2.gz FSGNSSPLUIAIJV-UHFFFAOYSA-N 0 3 359.436 3.092 20 10 FGCDHN Cn1ncc(Cl)c1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000780520331 724474754 /nfs/dbraw/zinc/47/47/54/724474754.db2.gz MZFFUDZXPROBTQ-UHFFFAOYSA-N 0 3 370.831 3.434 20 10 FGCDHN CN1CCN([C@H](C[NH2+]Cc2c([O-])cccc2Cl)c2cccs2)CC1 ZINC000733322894 722495677 /nfs/dbraw/zinc/49/56/77/722495677.db2.gz VAOGDSBCTKABKZ-MRXNPFEDSA-N 0 3 365.930 3.185 20 10 FGCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000763425600 723342223 /nfs/dbraw/zinc/34/22/23/723342223.db2.gz RGVFHHGKCRVUEU-LBPRGKRZSA-N 0 3 368.246 3.235 20 10 FGCDHN CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000793389715 723433180 /nfs/dbraw/zinc/43/31/80/723433180.db2.gz NACVDCILLHCNQU-KGLIPLIRSA-N 0 3 357.397 3.248 20 10 FGCDHN CC[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765324434 723505616 /nfs/dbraw/zinc/50/56/16/723505616.db2.gz GXCCZRRGVHTMNG-HXUWFJFHSA-N 0 3 360.523 3.408 20 10 FGCDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCOCC1 ZINC000765994720 723550624 /nfs/dbraw/zinc/55/06/24/723550624.db2.gz RFEFINIBBFBEDE-KBXCAEBGSA-N 0 3 352.906 3.415 20 10 FGCDHN C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000765995761 723550639 /nfs/dbraw/zinc/55/06/39/723550639.db2.gz WXXMFTXLQIQPHC-VKJFTORMSA-N 0 3 352.906 3.415 20 10 FGCDHN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000766136277 723557997 /nfs/dbraw/zinc/55/79/97/723557997.db2.gz CSMZQMARHJHABK-KBXCAEBGSA-N 0 3 364.873 3.462 20 10 FGCDHN CCOc1ccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768350294 723654927 /nfs/dbraw/zinc/65/49/27/723654927.db2.gz CUFYAMNOCQYBLG-OAHLLOKOSA-N 0 3 350.459 3.280 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335832 723682760 /nfs/dbraw/zinc/68/27/60/723682760.db2.gz YIUZYSCNPQKZLY-AWEZNQCLSA-N 0 3 350.459 3.090 20 10 FGCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335832 723682761 /nfs/dbraw/zinc/68/27/61/723682761.db2.gz YIUZYSCNPQKZLY-AWEZNQCLSA-N 0 3 350.459 3.090 20 10 FGCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000774398621 723888906 /nfs/dbraw/zinc/88/89/06/723888906.db2.gz YMPRCRNRMUDWNC-PWSUYJOCSA-N 0 3 357.347 3.450 20 10 FGCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000775644887 724014701 /nfs/dbraw/zinc/01/47/01/724014701.db2.gz WNRJOSPFJBZLEL-LBPRGKRZSA-N 0 3 368.886 3.194 20 10 FGCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1[O-] ZINC000775644887 724014707 /nfs/dbraw/zinc/01/47/07/724014707.db2.gz WNRJOSPFJBZLEL-LBPRGKRZSA-N 0 3 368.886 3.194 20 10 FGCDHN CN1CCN(c2ccc(CN3CCO[C@H](c4cccs4)C3)cc2)CC1 ZINC000775663876 724019165 /nfs/dbraw/zinc/01/91/65/724019165.db2.gz GTBLRXJMWMTICK-IBGZPJMESA-N 0 3 357.523 3.073 20 10 FGCDHN C[C@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000775831450 724068601 /nfs/dbraw/zinc/06/86/01/724068601.db2.gz SFKGLZONNMRXPK-HNNXBMFYSA-N 0 3 359.901 3.416 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1[O-] ZINC000776252124 724124210 /nfs/dbraw/zinc/12/42/10/724124210.db2.gz OBHUJEDNEJJZQC-GOSISDBHSA-N 0 3 362.267 3.387 20 10 FGCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1[O-] ZINC000808680148 725213202 /nfs/dbraw/zinc/21/32/02/725213202.db2.gz CWHLQLLUGKFJMQ-KBXCAEBGSA-N 0 3 370.946 3.213 20 10 FGCDHN CC[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216348 725297448 /nfs/dbraw/zinc/29/74/48/725297448.db2.gz HYPYGOQOBNUEJV-XJKSGUPXSA-N 0 3 359.436 3.088 20 10 FGCDHN COc1cccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c1O ZINC000813792617 726914665 /nfs/dbraw/zinc/91/46/65/726914665.db2.gz SQALUEFOHMZLHG-AWEZNQCLSA-N 0 3 370.218 3.126 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000818218804 727301961 /nfs/dbraw/zinc/30/19/61/727301961.db2.gz QRKQYPBCANUSMD-CVEARBPZSA-N 0 3 350.459 3.182 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@@H](OC)C(C)(C)C2)c1O ZINC000824821304 729360226 /nfs/dbraw/zinc/36/02/26/729360226.db2.gz XWKJJNDZXMBEMF-CQSZACIVSA-N 0 3 358.276 3.410 20 10 FGCDHN COc1cccc(O)c1CN(C)C[C@H](O)c1ccccc1Br ZINC000825305434 729377871 /nfs/dbraw/zinc/37/78/71/729377871.db2.gz IXZPTMHRGSGQMW-INIZCTEOSA-N 0 3 366.255 3.329 20 10 FGCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000825305434 729377872 /nfs/dbraw/zinc/37/78/72/729377872.db2.gz IXZPTMHRGSGQMW-INIZCTEOSA-N 0 3 366.255 3.329 20 10 FGCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000825305434 729377873 /nfs/dbraw/zinc/37/78/73/729377873.db2.gz IXZPTMHRGSGQMW-INIZCTEOSA-N 0 3 366.255 3.329 20 10 FGCDHN C[NH+](C)CCN(Cc1ccco1)Cc1ccc(Br)cc1[O-] ZINC000825922310 729399719 /nfs/dbraw/zinc/39/97/19/729399719.db2.gz OPNHHHGSMYHFOU-UHFFFAOYSA-N 0 3 353.260 3.312 20 10 FGCDHN CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(C)cc1[O-] ZINC000834840574 729838449 /nfs/dbraw/zinc/83/84/49/729838449.db2.gz KSIORQXJILXXKX-HNNXBMFYSA-N 0 3 365.271 3.366 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000834896040 729844811 /nfs/dbraw/zinc/84/48/11/729844811.db2.gz HEUSIHHFCGJHPM-NEPJUHHUSA-N 0 3 352.276 3.478 20 10 FGCDHN [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000841103286 730211719 /nfs/dbraw/zinc/21/17/19/730211719.db2.gz FWMIUHMEJABLOU-ZBFHGGJFSA-N 0 3 359.297 3.417 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000848527935 731175551 /nfs/dbraw/zinc/17/55/51/731175551.db2.gz AHZMIOYXWLPRLN-GVXVVHGQSA-N 0 3 357.292 3.297 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c1[O-] ZINC000848527922 731175601 /nfs/dbraw/zinc/17/56/01/731175601.db2.gz IFBSBFNOKMEYHB-WDEREUQCSA-N 0 3 357.292 3.297 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1[O-] ZINC000848529523 731176010 /nfs/dbraw/zinc/17/60/10/731176010.db2.gz PHDRETZIGXFXOF-DMDPSCGWSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1ccc(N2CC[C@H](NCc3ncccc3C(F)(F)F)C2)cc1 ZINC000850347877 731345615 /nfs/dbraw/zinc/34/56/15/731345615.db2.gz ZNNRASVLJPOGMS-ZDUSSCGKSA-N 0 3 351.372 3.478 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1[O-] ZINC000850421502 731355570 /nfs/dbraw/zinc/35/55/70/731355570.db2.gz YAULOMJLKPUHKG-MEDUHNTESA-N 0 3 366.255 3.375 20 10 FGCDHN Cc1cncc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000850552152 731372356 /nfs/dbraw/zinc/37/23/56/731372356.db2.gz XJOYHLWUJQISMB-GFCCVEGCSA-N 0 3 350.260 3.455 20 10 FGCDHN COC(=O)c1csc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000876942837 736165628 /nfs/dbraw/zinc/16/56/28/736165628.db2.gz GSTYXXMZHVLLLI-UHFFFAOYSA-N 0 3 362.520 3.378 20 10 FGCDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3ccc(Cl)nn3)C2)cc1 ZINC000877071491 736183788 /nfs/dbraw/zinc/18/37/88/736183788.db2.gz PHIVRRCOEHOQOG-ZDUSSCGKSA-N 0 3 368.815 3.490 20 10 FGCDHN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc(C)cc2O)c1 ZINC000877587106 736689047 /nfs/dbraw/zinc/68/90/47/736689047.db2.gz FDJIVLOHNKNGOJ-UHFFFAOYSA-N 0 3 353.871 3.437 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncsc2C2CC2)N(C)C)cc1 ZINC000891243560 739885887 /nfs/dbraw/zinc/88/58/87/739885887.db2.gz QGHIVVUDZLZMAI-MRXNPFEDSA-N 0 3 358.511 3.119 20 10 FGCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)N(C)C)cc1 ZINC000891248322 739885914 /nfs/dbraw/zinc/88/59/14/739885914.db2.gz KOVBECRLTQZSGQ-WMLDXEAASA-N 0 3 353.457 3.297 20 10 FGCDHN COc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)c(O)c1OC ZINC000892470805 740003591 /nfs/dbraw/zinc/00/35/91/740003591.db2.gz ZDKWUNFEFCPYGX-UHFFFAOYSA-N 0 3 365.813 3.124 20 10 FGCDHN COc1cc(C)cc(CNCc2ccnc(OCC(F)(F)F)c2)c1O ZINC000894175758 742248891 /nfs/dbraw/zinc/24/88/91/742248891.db2.gz KOQZLRWKJHHSAA-UHFFFAOYSA-N 0 3 356.344 3.335 20 10 FGCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)c1[O-] ZINC000903372053 743841650 /nfs/dbraw/zinc/84/16/50/743841650.db2.gz HJEZWDOQSLOLMJ-CYBMUJFWSA-N 0 3 355.862 3.053 20 10 FGCDHN C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000091974684 494737869 /nfs/dbraw/zinc/73/78/69/494737869.db2.gz RVALRUSWFFOASV-UHFFFAOYSA-N 0 3 351.406 3.186 20 10 FGCDHN C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1[O-] ZINC000091974684 494737873 /nfs/dbraw/zinc/73/78/73/494737873.db2.gz RVALRUSWFFOASV-UHFFFAOYSA-N 0 3 351.406 3.186 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(CO)c1 ZINC000121411297 494743796 /nfs/dbraw/zinc/74/37/96/494743796.db2.gz BCCGXKFHQDWXEF-OAHLLOKOSA-N 0 3 358.457 3.130 20 10 FGCDHN CCN(CC)c1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000092811394 494758892 /nfs/dbraw/zinc/75/88/92/494758892.db2.gz DEQQQTVKVJZIPJ-UHFFFAOYSA-N 0 3 356.514 3.101 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000124146320 495241306 /nfs/dbraw/zinc/24/13/06/495241306.db2.gz SPKPMTOWJJKUSN-QGZVFWFLSA-N 0 3 370.497 3.488 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000124146320 495241309 /nfs/dbraw/zinc/24/13/09/495241309.db2.gz SPKPMTOWJJKUSN-QGZVFWFLSA-N 0 3 370.497 3.488 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000124146067 495241522 /nfs/dbraw/zinc/24/15/22/495241522.db2.gz SPKPMTOWJJKUSN-KRWDZBQOSA-N 0 3 370.497 3.488 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1[O-] ZINC000124146067 495241527 /nfs/dbraw/zinc/24/15/27/495241527.db2.gz SPKPMTOWJJKUSN-KRWDZBQOSA-N 0 3 370.497 3.488 20 10 FGCDHN Cc1ccc(O)c(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000113328845 495296756 /nfs/dbraw/zinc/29/67/56/495296756.db2.gz QEJFUWMKLIGHEG-UHFFFAOYSA-N 0 3 362.495 3.067 20 10 FGCDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)c1 ZINC000130076627 495338108 /nfs/dbraw/zinc/33/81/08/495338108.db2.gz NCZCDSHQVNFUGP-UKRRQHHQSA-N 0 3 350.413 3.341 20 10 FGCDHN O=C(C1CC[NH+](Cc2cc(F)ccc2[O-])CC1)N1CCc2ccccc21 ZINC000179996329 495815374 /nfs/dbraw/zinc/81/53/74/495815374.db2.gz SMBQGILSSDNHGH-UHFFFAOYSA-N 0 3 354.425 3.333 20 10 FGCDHN COCCOC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183106608 495836828 /nfs/dbraw/zinc/83/68/28/495836828.db2.gz MXLAKZRRMPWQNO-IBGZPJMESA-N 0 3 371.477 3.456 20 10 FGCDHN COCCOC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183106608 495836831 /nfs/dbraw/zinc/83/68/31/495836831.db2.gz MXLAKZRRMPWQNO-IBGZPJMESA-N 0 3 371.477 3.456 20 10 FGCDHN COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)cc1 ZINC000183380038 495955757 /nfs/dbraw/zinc/95/57/57/495955757.db2.gz ZMKJVXPPYRDNQK-OXJNMPFZSA-N 0 3 356.466 3.125 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c1[O-] ZINC000186458004 496005527 /nfs/dbraw/zinc/00/55/27/496005527.db2.gz VAHSJQBMFPSMOE-UHFFFAOYSA-N 0 3 362.857 3.369 20 10 FGCDHN CCOc1cccc(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1O ZINC000152751439 496245537 /nfs/dbraw/zinc/24/55/37/496245537.db2.gz JQBMHQDPUYCSRY-OAHLLOKOSA-N 0 3 363.479 3.051 20 10 FGCDHN COc1cc([O-])c(C[NH2+]CCCc2nc3ccccc3n2C)cc1OC ZINC000181346757 496362106 /nfs/dbraw/zinc/36/21/06/496362106.db2.gz PQAFGXKDRJJVEA-UHFFFAOYSA-N 0 3 355.438 3.019 20 10 FGCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000173199583 496589979 /nfs/dbraw/zinc/58/99/79/496589979.db2.gz PGKWSMUPPFUHNP-UHFFFAOYSA-N 0 3 365.477 3.388 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2CN2CCCC2=O)c1 ZINC000184987967 496612902 /nfs/dbraw/zinc/61/29/02/496612902.db2.gz DBNWIPXEXOIBKH-OAHLLOKOSA-N 0 3 354.450 3.374 20 10 FGCDHN C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000164943265 496640323 /nfs/dbraw/zinc/64/03/23/496640323.db2.gz WKQNUQOHMHXWSK-QGZVFWFLSA-N 0 3 353.466 3.203 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)c([O-])c1 ZINC000185197883 496700502 /nfs/dbraw/zinc/70/05/02/496700502.db2.gz GWDLIMGHSFIGJD-SFHVURJKSA-N 0 3 370.493 3.262 20 10 FGCDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1cc2c(cc1[O-])CCCC2 ZINC000273374928 496787864 /nfs/dbraw/zinc/78/78/64/496787864.db2.gz HBLTUROBTXCNCJ-INIZCTEOSA-N 0 3 367.493 3.353 20 10 FGCDHN C[C@H](NCc1ccc(N2CCOCC2)nc1)c1cc2c(cc1O)CCCC2 ZINC000273374928 496787867 /nfs/dbraw/zinc/78/78/67/496787867.db2.gz HBLTUROBTXCNCJ-INIZCTEOSA-N 0 3 367.493 3.353 20 10 FGCDHN COCCC(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000268986884 496842416 /nfs/dbraw/zinc/84/24/16/496842416.db2.gz TZGISDSHUHVQLJ-UHFFFAOYSA-N 0 3 368.477 3.176 20 10 FGCDHN OC[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 ZINC000269918909 497024160 /nfs/dbraw/zinc/02/41/60/497024160.db2.gz KELJIHISZXUKQO-IFMALSPDSA-N 0 3 354.494 3.251 20 10 FGCDHN CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccccc1[O-] ZINC000274963041 497206242 /nfs/dbraw/zinc/20/62/42/497206242.db2.gz XAFJRAVRAALSBW-MJGOQNOKSA-N 0 3 351.450 3.272 20 10 FGCDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnn1C ZINC000192910427 497243968 /nfs/dbraw/zinc/24/39/68/497243968.db2.gz YFRMZHVWCCSUFA-KGLIPLIRSA-N 0 3 350.413 3.341 20 10 FGCDHN CCO[C@H]1C[C@@](N)(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1(C)C ZINC000275478677 497339028 /nfs/dbraw/zinc/33/90/28/497339028.db2.gz JALLFEZCGPRFOB-SIKLNZKXSA-N 0 3 373.541 3.168 20 10 FGCDHN Cc1cc(Br)cc(CN[C@H](CO)c2ccc(F)cc2)c1O ZINC000271859020 497472659 /nfs/dbraw/zinc/47/26/59/497472659.db2.gz VNJSKOKORFCTMB-OAHLLOKOSA-N 0 3 354.219 3.425 20 10 FGCDHN CCCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)c([O-])c1 ZINC000190429125 497476828 /nfs/dbraw/zinc/47/68/28/497476828.db2.gz KZYYKASQTCVBQB-HKUYNNGSSA-N 0 3 359.470 3.407 20 10 FGCDHN CN1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC000245639725 497484805 /nfs/dbraw/zinc/48/48/05/497484805.db2.gz AOYXSHIQNKHFIF-SPDMGPDVSA-N 0 3 372.490 3.372 20 10 FGCDHN COc1cccc(CNCc2cccc(Br)c2OC)c1O ZINC000267593665 497583999 /nfs/dbraw/zinc/58/39/99/497583999.db2.gz BEKYIKPYCYJRPB-UHFFFAOYSA-N 0 3 352.228 3.462 20 10 FGCDHN COC(=O)CC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000268057598 497669462 /nfs/dbraw/zinc/66/94/62/497669462.db2.gz WUJULIOKTPIYNS-UHFFFAOYSA-N 0 3 355.434 3.261 20 10 FGCDHN [O-]c1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1)OCO2 ZINC000277133732 497752246 /nfs/dbraw/zinc/75/22/46/497752246.db2.gz ZIJDWGKEBCAUNO-UHFFFAOYSA-N 0 3 359.397 3.441 20 10 FGCDHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)OCO2 ZINC000277133732 497752251 /nfs/dbraw/zinc/75/22/51/497752251.db2.gz ZIJDWGKEBCAUNO-UHFFFAOYSA-N 0 3 359.397 3.441 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]4(CCN(C)C4)C3)ccc21 ZINC000292299275 497959189 /nfs/dbraw/zinc/95/91/89/497959189.db2.gz RXHYPLBZKBMMMB-JOCHJYFZSA-N 0 3 369.509 3.072 20 10 FGCDHN COc1cccc(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1O ZINC000293210808 498308497 /nfs/dbraw/zinc/30/84/97/498308497.db2.gz YGMVNTBDFIQWQX-RDTXWAMCSA-N 0 3 372.440 3.382 20 10 FGCDHN COc1ccc(O)c(CN2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)c1 ZINC000360792119 498311293 /nfs/dbraw/zinc/31/12/93/498311293.db2.gz JWCLOXTZWFQXFG-ZDUSSCGKSA-N 0 3 361.467 3.016 20 10 FGCDHN COc1cc([O-])c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1OC ZINC000293750813 498475763 /nfs/dbraw/zinc/47/57/63/498475763.db2.gz WUOLSVOPHSOAOR-UHFFFAOYSA-N 0 3 356.344 3.156 20 10 FGCDHN CN1CCN(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000293941561 498539255 /nfs/dbraw/zinc/53/92/55/498539255.db2.gz YSKCYBATDQQTAL-QFIPXVFZSA-N 0 3 367.537 3.293 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365753575 498626549 /nfs/dbraw/zinc/62/65/49/498626549.db2.gz NGZSVDPAPNTEOC-UHFFFAOYSA-N 0 3 366.461 3.226 20 10 FGCDHN O=C(c1cccc(O)c1[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000365753575 498626551 /nfs/dbraw/zinc/62/65/51/498626551.db2.gz NGZSVDPAPNTEOC-UHFFFAOYSA-N 0 3 366.461 3.226 20 10 FGCDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000287229332 498680999 /nfs/dbraw/zinc/68/09/99/498680999.db2.gz YCROLFGBOYXCNB-DLBZAZTESA-N 0 3 350.528 3.152 20 10 FGCDHN COc1cccc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)c1O ZINC000291071459 498782945 /nfs/dbraw/zinc/78/29/45/498782945.db2.gz LTRXPHVYFUCANK-CQSZACIVSA-N 0 3 355.438 3.171 20 10 FGCDHN COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291071459 498782949 /nfs/dbraw/zinc/78/29/49/498782949.db2.gz LTRXPHVYFUCANK-CQSZACIVSA-N 0 3 355.438 3.171 20 10 FGCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)C1CCOCC1 ZINC000294847694 498825075 /nfs/dbraw/zinc/82/50/75/498825075.db2.gz SFKXNABNBZSUBK-IRLDBZIGSA-N 0 3 355.478 3.443 20 10 FGCDHN COc1ccc([C@@H](O)C2CC[NH+](Cc3cc(OC)ccc3[O-])CC2)cc1 ZINC000291267160 498869496 /nfs/dbraw/zinc/86/94/96/498869496.db2.gz NLNDCFOLNBYQTI-OAQYLSRUSA-N 0 3 357.450 3.355 20 10 FGCDHN CCCOc1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000288375732 499008547 /nfs/dbraw/zinc/00/85/47/499008547.db2.gz FPPWJEDCYCNKLN-MRXNPFEDSA-N 0 3 372.465 3.281 20 10 FGCDHN C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000366694952 499036279 /nfs/dbraw/zinc/03/62/79/499036279.db2.gz LITWFLTZQIFXRF-VGOFRKELSA-N 0 3 351.494 3.361 20 10 FGCDHN COc1ccc(O)c([C@H](C)N2CCCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000372711591 499164748 /nfs/dbraw/zinc/16/47/48/499164748.db2.gz GZXMRVLRVXBWKR-HNNXBMFYSA-N 0 3 359.470 3.275 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370372904 499213854 /nfs/dbraw/zinc/21/38/54/499213854.db2.gz GABPAUBEQJXCHS-IEBWSBKVSA-N 0 3 352.478 3.442 20 10 FGCDHN C[C@@H](NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1ncc[nH]1 ZINC000367601278 499216568 /nfs/dbraw/zinc/21/65/68/499216568.db2.gz NHEYMTWLDAPTDI-CHWSQXEVSA-N 0 3 354.376 3.485 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1[O-] ZINC000368374238 499290061 /nfs/dbraw/zinc/29/00/61/499290061.db2.gz KDQUINNHLIEPGK-WBVHZDCISA-N 0 3 356.470 3.358 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)c1[O-] ZINC000368402225 499292403 /nfs/dbraw/zinc/29/24/03/499292403.db2.gz JODBLJQYFGAUJG-KDOFPFPSSA-N 0 3 362.905 3.260 20 10 FGCDHN COc1ccc([C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C2CCOCC2)cc1 ZINC000371357830 499314863 /nfs/dbraw/zinc/31/48/63/499314863.db2.gz RJVUWAIQLDZVTG-OAQYLSRUSA-N 0 3 371.433 3.387 20 10 FGCDHN Cc1csc(NC(=O)C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000371394821 499320259 /nfs/dbraw/zinc/32/02/59/499320259.db2.gz AQBFWKNSDLBDSY-UHFFFAOYSA-N 0 3 358.511 3.368 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799042 499333859 /nfs/dbraw/zinc/33/38/59/499333859.db2.gz UMZYBYHUBKCAPX-HOTGVXAUSA-N 0 3 366.465 3.459 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368799042 499333861 /nfs/dbraw/zinc/33/38/61/499333861.db2.gz UMZYBYHUBKCAPX-HOTGVXAUSA-N 0 3 366.465 3.459 20 10 FGCDHN COC(=O)c1ccnc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)c1 ZINC000371865622 499373255 /nfs/dbraw/zinc/37/32/55/499373255.db2.gz WZNQVCGLCONOKP-OAHLLOKOSA-N 0 3 369.465 3.202 20 10 FGCDHN COc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000373141215 499453534 /nfs/dbraw/zinc/45/35/34/499453534.db2.gz PDLMDVVQRZONTD-UHFFFAOYSA-N 0 3 374.868 3.449 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c([O-])c1C ZINC000373255278 499460085 /nfs/dbraw/zinc/46/00/85/499460085.db2.gz JJUKTTCZETVKIQ-JKSUJKDBSA-N 0 3 353.466 3.037 20 10 FGCDHN CC[C@@H]([NH2+]C1CCC(N2CCCS2(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000373545143 499476144 /nfs/dbraw/zinc/47/61/44/499476144.db2.gz DZAOZZSDGZJMBG-LEOMRAHMSA-N 0 3 366.527 3.088 20 10 FGCDHN O=C1NC[C@]2(CCCN(Cc3ccc(OCc4ccccc4)cc3O)C2)O1 ZINC000375558632 499532209 /nfs/dbraw/zinc/53/22/09/499532209.db2.gz RWWLYTSOJHWCHO-NRFANRHFSA-N 0 3 368.433 3.046 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000377757153 499729308 /nfs/dbraw/zinc/72/93/08/499729308.db2.gz UHUOUBKDTVZDTL-DGCLKSJQSA-N 0 3 350.260 3.476 20 10 FGCDHN CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1[O-] ZINC000377757153 499729309 /nfs/dbraw/zinc/72/93/09/499729309.db2.gz UHUOUBKDTVZDTL-DGCLKSJQSA-N 0 3 350.260 3.476 20 10 FGCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000471585358 502074995 /nfs/dbraw/zinc/07/49/95/502074995.db2.gz KNASGVZEDYNODD-HOTGVXAUSA-N 0 3 356.514 3.406 20 10 FGCDHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000123044669 700699440 /nfs/dbraw/zinc/69/94/40/700699440.db2.gz WLSSZVHJOIBPHG-HZPDHXFCSA-N 0 3 351.922 3.036 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1[O-] ZINC000779060076 724385705 /nfs/dbraw/zinc/38/57/05/724385705.db2.gz CWHNGADHQAQQDV-AAEUAGOBSA-N 0 3 350.260 3.325 20 10 FGCDHN O=C1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CN1c1ccc(Cl)c(F)c1 ZINC000779100931 724390076 /nfs/dbraw/zinc/39/00/76/724390076.db2.gz VHAJEXWNSPHCRG-LBPRGKRZSA-N 0 3 352.768 3.219 20 10 FGCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000780562723 724479972 /nfs/dbraw/zinc/47/99/72/724479972.db2.gz JWUQUTURHBTLQX-CQSZACIVSA-N 0 3 350.459 3.280 20 10 FGCDHN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000756344935 722963161 /nfs/dbraw/zinc/96/31/61/722963161.db2.gz VAXSCTFDLGDIQJ-RHSMWYFYSA-N 0 3 363.502 3.232 20 10 FGCDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756455154 722964953 /nfs/dbraw/zinc/96/49/53/722964953.db2.gz HSEGQGWMXDQTPG-CZUORRHYSA-N 0 3 363.454 3.284 20 10 FGCDHN Cc1cc(Br)cc(C[N@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000763628177 723356892 /nfs/dbraw/zinc/35/68/92/723356892.db2.gz UJVBZLCDNLUTDO-UHFFFAOYSA-N 0 3 369.303 3.201 20 10 FGCDHN Cc1cc(Br)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1[O-] ZINC000763628177 723356897 /nfs/dbraw/zinc/35/68/97/723356897.db2.gz UJVBZLCDNLUTDO-UHFFFAOYSA-N 0 3 369.303 3.201 20 10 FGCDHN CN(C)c1ccc(CN2CCC(CCC(N)=O)CC2)c(C(F)(F)F)c1 ZINC000792829298 723372533 /nfs/dbraw/zinc/37/25/33/723372533.db2.gz NPMBXWDEXRYPLX-UHFFFAOYSA-N 0 3 357.420 3.249 20 10 FGCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)c(C(F)(F)F)c1 ZINC000793009988 723392582 /nfs/dbraw/zinc/39/25/82/723392582.db2.gz XZNZHXREOAKSGA-ZDUSSCGKSA-N 0 3 357.420 3.260 20 10 FGCDHN COc1ccc(C[NH2+]Cc2cnc3ccc(Br)cn23)c([O-])c1 ZINC000793386381 723432701 /nfs/dbraw/zinc/43/27/01/723432701.db2.gz OELLZJREYMFCEL-UHFFFAOYSA-N 0 3 362.227 3.101 20 10 FGCDHN C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(F)cc1[O-] ZINC000794826554 723547971 /nfs/dbraw/zinc/54/79/71/723547971.db2.gz CJUDXMJUUYMREO-RFAUZJTJSA-N 0 3 367.218 3.171 20 10 FGCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000768650959 723664284 /nfs/dbraw/zinc/66/42/84/723664284.db2.gz HUJTUFXFIKCLOF-ICSRJNTNSA-N 0 3 357.885 3.468 20 10 FGCDHN COc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000769191667 723679163 /nfs/dbraw/zinc/67/91/63/723679163.db2.gz AVIRFTORXYUYPK-UHFFFAOYSA-N 0 3 360.479 3.165 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1[O-] ZINC000770285209 723710418 /nfs/dbraw/zinc/71/04/18/723710418.db2.gz DSUOVGVUKUVWDA-SMDDNHRTSA-N 0 3 356.260 3.164 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1[O-] ZINC000770285209 723710419 /nfs/dbraw/zinc/71/04/19/723710419.db2.gz DSUOVGVUKUVWDA-SMDDNHRTSA-N 0 3 356.260 3.164 20 10 FGCDHN Clc1ccc(N2CCOCC2)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000798499531 723938013 /nfs/dbraw/zinc/93/80/13/723938013.db2.gz YHRDDUOJIXRVRT-UHFFFAOYSA-N 0 3 358.869 3.401 20 10 FGCDHN COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000798952976 723978834 /nfs/dbraw/zinc/97/88/34/723978834.db2.gz AAKSAXYVAMPQDY-LJQANCHMSA-N 0 3 350.459 3.138 20 10 FGCDHN OCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000808429101 725200644 /nfs/dbraw/zinc/20/06/44/725200644.db2.gz ASVQWSSTQFAUFQ-HXUWFJFHSA-N 0 3 360.885 3.390 20 10 FGCDHN CSCC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)N(C)C ZINC000808438839 725201332 /nfs/dbraw/zinc/20/13/32/725201332.db2.gz OXYHYDBTUONEDI-SFHVURJKSA-N 0 3 358.507 3.359 20 10 FGCDHN CCOc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)N(C)CC)c1 ZINC000809722855 725262689 /nfs/dbraw/zinc/26/26/89/725262689.db2.gz LCQZKSDMPIWPOI-MRXNPFEDSA-N 0 3 350.459 3.234 20 10 FGCDHN CCOc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)NC(C)C)c1 ZINC000809721073 725262769 /nfs/dbraw/zinc/26/27/69/725262769.db2.gz SEACIVILCXNRHK-MRXNPFEDSA-N 0 3 350.459 3.280 20 10 FGCDHN COc1cccc(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])c1O ZINC000809740208 725264109 /nfs/dbraw/zinc/26/41/09/725264109.db2.gz PPMVYZFXTGVBOS-UHFFFAOYSA-N 0 3 368.227 3.167 20 10 FGCDHN Cc1cc(Cl)cc(C[NH2+]CCCn2cc(Br)cn2)c1[O-] ZINC000809784153 725268516 /nfs/dbraw/zinc/26/85/16/725268516.db2.gz RSYFEOWFXFHHFF-UHFFFAOYSA-N 0 3 358.667 3.493 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000809792595 725269131 /nfs/dbraw/zinc/26/91/31/725269131.db2.gz BGUHGTPEMQGFJR-YOEHRIQHSA-N 0 3 364.239 3.047 20 10 FGCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000809794373 725269216 /nfs/dbraw/zinc/26/92/16/725269216.db2.gz WPMQBXLAOMYXLB-NRFANRHFSA-N 0 3 368.296 3.490 20 10 FGCDHN CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217030 725297624 /nfs/dbraw/zinc/29/76/24/725297624.db2.gz VDZHJAMPVQCKSZ-YCPHGPKFSA-N 0 3 358.404 3.315 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1[O-] ZINC000812782918 726811203 /nfs/dbraw/zinc/81/12/03/726811203.db2.gz PBLGDLOLUZVWSV-ZDUSSCGKSA-N 0 3 364.804 3.088 20 10 FGCDHN COC1([C@@H](C)[NH2+]Cc2cc(Br)cc(C)c2[O-])CCOCC1 ZINC000817419846 727249967 /nfs/dbraw/zinc/24/99/67/727249967.db2.gz LCUNEHKDFLEMQX-GFCCVEGCSA-N 0 3 358.276 3.137 20 10 FGCDHN CCc1nn(C)c(Cl)c1CNC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818222570 727302166 /nfs/dbraw/zinc/30/21/66/727302166.db2.gz UUFOJPVJWXTBNZ-CQSZACIVSA-N 0 3 362.905 3.261 20 10 FGCDHN C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824894808 729364005 /nfs/dbraw/zinc/36/40/05/729364005.db2.gz KFZVBBREKIXFEH-CQSZACIVSA-N 0 3 353.304 3.318 20 10 FGCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000824894808 729364008 /nfs/dbraw/zinc/36/40/08/729364008.db2.gz KFZVBBREKIXFEH-CQSZACIVSA-N 0 3 353.304 3.318 20 10 FGCDHN Cc1cc([C@H](N)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000825942516 729400305 /nfs/dbraw/zinc/40/03/05/729400305.db2.gz BPUWVIYKJBVHSY-QGZVFWFLSA-N 0 3 360.889 3.158 20 10 FGCDHN COc1cc(O)c(CNCc2cccc3c2OC(F)(F)O3)cc1OC ZINC000827757799 729434276 /nfs/dbraw/zinc/43/42/76/729434276.db2.gz MYJNDRIWTYSLGW-UHFFFAOYSA-N 0 3 353.321 3.021 20 10 FGCDHN CCS(=O)(=O)c1ccc(CNC/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835043799 729852929 /nfs/dbraw/zinc/85/29/29/729852929.db2.gz ZILBLPAHQIRRRQ-WAYWQWQTSA-N 0 3 358.507 3.349 20 10 FGCDHN COC1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000841888894 730282763 /nfs/dbraw/zinc/28/27/63/730282763.db2.gz UNTLAJKDKUSKKB-UHFFFAOYSA-N 0 3 358.404 3.067 20 10 FGCDHN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848527038 731175598 /nfs/dbraw/zinc/17/55/98/731175598.db2.gz PNQBEHWKJREFFZ-QWRGUYRKSA-N 0 3 373.291 3.119 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCNc2ccccn2)c1[O-] ZINC000848528884 731176029 /nfs/dbraw/zinc/17/60/29/731176029.db2.gz JAFTUASCRBLWNP-NSHDSACASA-N 0 3 366.259 3.321 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)c1[O-] ZINC000848530312 731176336 /nfs/dbraw/zinc/17/63/36/731176336.db2.gz CYGQMNPHYIHAPU-WCQYABFASA-N 0 3 374.275 3.010 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1[O-] ZINC000848530314 731176446 /nfs/dbraw/zinc/17/64/46/731176446.db2.gz CYGQMNPHYIHAPU-YPMHNXCESA-N 0 3 374.275 3.010 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)c1[O-] ZINC000848533138 731176982 /nfs/dbraw/zinc/17/69/82/731176982.db2.gz OGZSOHTYTBOBKQ-NQBHXWOUSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000848548177 731179388 /nfs/dbraw/zinc/17/93/88/731179388.db2.gz AWNYUIYNEJWJQM-ZWNOBZJWSA-N 0 3 358.276 3.365 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000848565774 731182699 /nfs/dbraw/zinc/18/26/99/731182699.db2.gz LWIGTJFGXWONFC-SNVBAGLBSA-N 0 3 374.275 3.231 20 10 FGCDHN COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000849349614 731251180 /nfs/dbraw/zinc/25/11/80/731251180.db2.gz CQODEWMZBCXKGR-WMZOPIPTSA-N 0 3 364.848 3.429 20 10 FGCDHN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000858473868 732218460 /nfs/dbraw/zinc/21/84/60/732218460.db2.gz RFAPKTXMEMIDGY-GWCFXTLKSA-N 0 3 354.244 3.376 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1[O-] ZINC000865762083 733264862 /nfs/dbraw/zinc/26/48/62/733264862.db2.gz LERUAIIWWNKVSP-LRDDRELGSA-N 0 3 370.287 3.458 20 10 FGCDHN COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1Cl ZINC000879648685 737022845 /nfs/dbraw/zinc/02/28/45/737022845.db2.gz ZDMMVNZUUJWARD-LLVKDONJSA-N 0 3 364.829 3.352 20 10 FGCDHN CN1CCN(c2ccc(CNCc3nc4c(s3)CCCC4)cc2)CC1 ZINC000883283642 737547135 /nfs/dbraw/zinc/54/71/35/737547135.db2.gz MSPRBLQSJTYFFZ-UHFFFAOYSA-N 0 3 356.539 3.064 20 10 FGCDHN CC[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(C)cc1[O-] ZINC000903434673 743850957 /nfs/dbraw/zinc/85/09/57/743850957.db2.gz NURWSDYFBRBNSK-GXTWGEPZSA-N 0 3 362.861 3.169 20 10 FGCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1[O-] ZINC000779030648 724382739 /nfs/dbraw/zinc/38/27/39/724382739.db2.gz CTLIMRWLWSQLDR-NSHDSACASA-N 0 3 355.276 3.173 20 10 FGCDHN C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CCN1Cc1ccccc1 ZINC000080105827 494597780 /nfs/dbraw/zinc/59/77/80/494597780.db2.gz GJYDNRUNRXAZFL-VQIMIIECSA-N 0 3 353.466 3.245 20 10 FGCDHN OCCn1nccc1C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092811105 494755744 /nfs/dbraw/zinc/75/57/44/494755744.db2.gz OETHRRUXVQPTMF-UHFFFAOYSA-N 0 3 368.525 3.245 20 10 FGCDHN COc1ccc(N2CCCN(Cc3cccc(NC(C)=O)c3)CC2)cc1 ZINC000101545177 495074088 /nfs/dbraw/zinc/07/40/88/495074088.db2.gz OYACGRLMLBAGDF-UHFFFAOYSA-N 0 3 353.466 3.366 20 10 FGCDHN C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124807095 495346592 /nfs/dbraw/zinc/34/65/92/495346592.db2.gz AKVAKVJXCWDEHL-VBKZILBWSA-N 0 3 362.420 3.186 20 10 FGCDHN [O-]c1cc2c(cc1C[NH2+]CCc1coc(-c3ccc(F)cc3)n1)OCO2 ZINC000105482354 495365798 /nfs/dbraw/zinc/36/57/98/495365798.db2.gz SDMRNXFXTGXRHI-UHFFFAOYSA-N 0 3 356.353 3.247 20 10 FGCDHN COc1cc(O)c(CN2CCC(Oc3cccc(C)n3)CC2)cc1OC ZINC000154357620 495591835 /nfs/dbraw/zinc/59/18/35/495591835.db2.gz SIQZELIKCPGUNW-UHFFFAOYSA-N 0 3 358.438 3.156 20 10 FGCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000151069993 495729565 /nfs/dbraw/zinc/72/95/65/495729565.db2.gz IESVCWODUWWQGF-CPJLOUKISA-N 0 3 358.507 3.111 20 10 FGCDHN COc1cc(O)c(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000159515986 495750320 /nfs/dbraw/zinc/75/03/20/495750320.db2.gz DSQAWOURCVLBJJ-UHFFFAOYSA-N 0 3 370.449 3.260 20 10 FGCDHN COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2=O)cc1 ZINC000186050332 495836231 /nfs/dbraw/zinc/83/62/31/495836231.db2.gz PAAKYGJWIWKPBV-BEFAXECRSA-N 0 3 354.450 3.161 20 10 FGCDHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1ccccc1[O-] ZINC000186276330 495924488 /nfs/dbraw/zinc/92/44/88/495924488.db2.gz SNYHSWDPUDOGDA-RBUKOAKNSA-N 0 3 354.450 3.243 20 10 FGCDHN COc1ccc(N2CCC(N[C@H](C)C(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000156284118 496205653 /nfs/dbraw/zinc/20/56/53/496205653.db2.gz NAVNHDKKYDUZIK-IAGOWNOFSA-N 0 3 359.514 3.043 20 10 FGCDHN COc1ccc(N2CCC(N[C@@H](C)C(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000156284356 496206284 /nfs/dbraw/zinc/20/62/84/496206284.db2.gz NAVNHDKKYDUZIK-SJORKVTESA-N 0 3 359.514 3.043 20 10 FGCDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@@H+]1Cc1ccccc1 ZINC000187113688 496299447 /nfs/dbraw/zinc/29/94/47/496299447.db2.gz CNMSPAMRPCBKSW-DOTOQJQBSA-N 0 3 354.450 3.223 20 10 FGCDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000187113688 496299450 /nfs/dbraw/zinc/29/94/50/496299450.db2.gz CNMSPAMRPCBKSW-DOTOQJQBSA-N 0 3 354.450 3.223 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)c3ccccc3C)CC2)c1O ZINC000153274710 496405773 /nfs/dbraw/zinc/40/57/73/496405773.db2.gz OJXSIKNVGAZISK-UHFFFAOYSA-N 0 3 368.477 3.494 20 10 FGCDHN COc1cc(N2CCN(Cc3cccc(C)c3O)CC2)cc(OC)c1OC ZINC000184753463 496518785 /nfs/dbraw/zinc/51/87/85/496518785.db2.gz PLNXUUPOVDJORD-UHFFFAOYSA-N 0 3 372.465 3.049 20 10 FGCDHN C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(N(C)C)cc1 ZINC000157710812 496535562 /nfs/dbraw/zinc/53/55/62/496535562.db2.gz UDEHKLOISHRJRI-IRXDYDNUSA-N 0 3 354.498 3.224 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccccc2CN2CCCC2=O)c1 ZINC000184987942 496613215 /nfs/dbraw/zinc/61/32/15/496613215.db2.gz DBNWIPXEXOIBKH-HNNXBMFYSA-N 0 3 354.450 3.374 20 10 FGCDHN CCCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1 ZINC000179052795 496658833 /nfs/dbraw/zinc/65/88/33/496658833.db2.gz ZZZHPCQFUONCPV-GOSISDBHSA-N 0 3 368.477 3.319 20 10 FGCDHN C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000268783401 496784722 /nfs/dbraw/zinc/78/47/22/496784722.db2.gz YYASWFNPECDRKT-KRWDZBQOSA-N 0 3 367.493 3.076 20 10 FGCDHN C[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000268806172 496792018 /nfs/dbraw/zinc/79/20/18/496792018.db2.gz MJXQXLSISGNELN-KRWDZBQOSA-N 0 3 367.493 3.076 20 10 FGCDHN CC[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268846667 496801464 /nfs/dbraw/zinc/80/14/64/496801464.db2.gz JEOSLZQRGNOYPF-ZRGWGRIASA-N 0 3 360.477 3.414 20 10 FGCDHN COc1ccc(O)c([C@H](C)NCc2ccnc(OC3CCOCC3)c2)c1 ZINC000273566769 496841382 /nfs/dbraw/zinc/84/13/82/496841382.db2.gz JRPBYQWXKUWHPP-AWEZNQCLSA-N 0 3 358.438 3.204 20 10 FGCDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1 ZINC000236903644 497166134 /nfs/dbraw/zinc/16/61/34/497166134.db2.gz SEDVQRZJABKMRL-FQEVSTJZSA-N 0 3 351.494 3.182 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000275423525 497321152 /nfs/dbraw/zinc/32/11/52/497321152.db2.gz DTCKCZQNIRCPGB-KSSFIOAISA-N 0 3 365.861 3.024 20 10 FGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479752 497563972 /nfs/dbraw/zinc/56/39/72/497563972.db2.gz YZWYTGVRWIPOII-FXAWDEMLSA-N 0 3 367.493 3.444 20 10 FGCDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000280921920 497951084 /nfs/dbraw/zinc/95/10/84/497951084.db2.gz HKEXXPBYLOMJPG-HNNXBMFYSA-N 0 3 368.518 3.434 20 10 FGCDHN COC1CCN(c2ccc(CN3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000296315577 497995819 /nfs/dbraw/zinc/99/58/19/497995819.db2.gz NYRDSTAQIVIMGV-UHFFFAOYSA-N 0 3 367.484 3.075 20 10 FGCDHN CCCOc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c([O-])c1 ZINC000293033105 498242387 /nfs/dbraw/zinc/24/23/87/498242387.db2.gz RRAWHWVRHKTZDO-UHFFFAOYSA-N 0 3 356.466 3.307 20 10 FGCDHN [O-]c1ccccc1C[NH+]1CCC(Cn2cc(Br)cn2)CC1 ZINC000360714968 498302079 /nfs/dbraw/zinc/30/20/79/498302079.db2.gz RPLRAHCQRIZATO-UHFFFAOYSA-N 0 3 350.260 3.263 20 10 FGCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282409190 498500288 /nfs/dbraw/zinc/50/02/88/498500288.db2.gz AUBHDQCBNXNUNU-KRWDZBQOSA-N 0 3 355.438 3.187 20 10 FGCDHN Cc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC000366194152 498817513 /nfs/dbraw/zinc/81/75/13/498817513.db2.gz YWZNPQARGQUELI-HXUWFJFHSA-N 0 3 367.493 3.077 20 10 FGCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1OC ZINC000291155877 498821076 /nfs/dbraw/zinc/82/10/76/498821076.db2.gz BUQRLRUNCAQSLJ-QFIPXVFZSA-N 0 3 371.477 3.227 20 10 FGCDHN COc1cc([O-])c(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1OC ZINC000291155877 498821081 /nfs/dbraw/zinc/82/10/81/498821081.db2.gz BUQRLRUNCAQSLJ-QFIPXVFZSA-N 0 3 371.477 3.227 20 10 FGCDHN Cn1cc([C@@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000294939029 498855604 /nfs/dbraw/zinc/85/56/04/498855604.db2.gz XXICAKWXXZMVEC-FPOVZHCZSA-N 0 3 351.450 3.123 20 10 FGCDHN COc1cc(Br)cc(CN[C@H]2CCCc3c[nH]nc32)c1O ZINC000363835779 499019194 /nfs/dbraw/zinc/01/91/94/499019194.db2.gz XGGLVXGKKGVEJS-LBPRGKRZSA-N 0 3 352.232 3.054 20 10 FGCDHN COc1cc([O-])c(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)cc1OC ZINC000367228582 499165119 /nfs/dbraw/zinc/16/51/19/499165119.db2.gz KTRNXAGLRQOUQU-UHFFFAOYSA-N 0 3 373.449 3.027 20 10 FGCDHN COc1cccc(C[NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c1[O-] ZINC000368047908 499259294 /nfs/dbraw/zinc/25/92/94/499259294.db2.gz VPMNTOKOFGLNRB-MRXNPFEDSA-N 0 3 362.470 3.280 20 10 FGCDHN C[C@@H](NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1nccn1C ZINC000368468768 499299002 /nfs/dbraw/zinc/29/90/02/499299002.db2.gz BWCULIVPQSVTCW-KGLIPLIRSA-N 0 3 368.403 3.496 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CCN(C)[C@H]4C3)ccc21 ZINC000368588869 499310823 /nfs/dbraw/zinc/31/08/23/499310823.db2.gz HHEDLBSXZNVHCQ-UTKZUKDTSA-N 0 3 369.509 3.071 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368655285 499317904 /nfs/dbraw/zinc/31/79/04/499317904.db2.gz JIOCECHMSPWTLD-INIZCTEOSA-N 0 3 366.465 3.288 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368655285 499317905 /nfs/dbraw/zinc/31/79/05/499317905.db2.gz JIOCECHMSPWTLD-INIZCTEOSA-N 0 3 366.465 3.288 20 10 FGCDHN Cn1cc(-c2ccccc2CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000372292316 499417025 /nfs/dbraw/zinc/41/70/25/499417025.db2.gz ZWKRNZKWIXZDIL-UHFFFAOYSA-N 0 3 362.477 3.214 20 10 FGCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000373606693 499479546 /nfs/dbraw/zinc/47/95/46/499479546.db2.gz BOJBTFUBQLLXGT-AWEZNQCLSA-N 0 3 355.438 3.208 20 10 FGCDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccccc1[O-] ZINC000376320986 499600330 /nfs/dbraw/zinc/60/03/30/499600330.db2.gz KSJSPIXFUBMVRS-YJBOKZPZSA-N 0 3 353.466 3.201 20 10 FGCDHN COc1cccc(CN2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000126997325 700755887 /nfs/dbraw/zinc/75/58/87/700755887.db2.gz MVDQEZWHOBKTOV-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN CCOc1cccc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000128449698 700775299 /nfs/dbraw/zinc/77/52/99/700775299.db2.gz ZWRPHXAYNCLZSP-HNNXBMFYSA-N 0 3 350.459 3.232 20 10 FGCDHN CCC[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1[O-] ZINC000130736651 700805737 /nfs/dbraw/zinc/80/57/37/700805737.db2.gz UAJIXTXRZRCMPA-UHFFFAOYSA-N 0 3 357.841 3.466 20 10 FGCDHN CCC[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1[O-] ZINC000130736651 700805741 /nfs/dbraw/zinc/80/57/41/700805741.db2.gz UAJIXTXRZRCMPA-UHFFFAOYSA-N 0 3 357.841 3.466 20 10 FGCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000382453659 713979922 /nfs/dbraw/zinc/97/99/22/713979922.db2.gz HPKSYCMDXCCURW-DZGCQCFKSA-N 0 3 350.459 3.184 20 10 FGCDHN CCCC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1[O-] ZINC000802657770 724398364 /nfs/dbraw/zinc/39/83/64/724398364.db2.gz RQHJIFZOWLMFLN-UHFFFAOYSA-N 0 3 361.511 3.488 20 10 FGCDHN CCCC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1[O-] ZINC000802657770 724398367 /nfs/dbraw/zinc/39/83/67/724398367.db2.gz RQHJIFZOWLMFLN-UHFFFAOYSA-N 0 3 361.511 3.488 20 10 FGCDHN C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000705923589 722412047 /nfs/dbraw/zinc/41/20/47/722412047.db2.gz PUDCJGFLMRKRJZ-CYBMUJFWSA-N 0 3 356.438 3.065 20 10 FGCDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)Cc2ccccc2)c2c1c(F)ccc2[O-] ZINC000756455157 722964966 /nfs/dbraw/zinc/96/49/66/722964966.db2.gz HSEGQGWMXDQTPG-XJKSGUPXSA-N 0 3 363.454 3.284 20 10 FGCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000758525072 722991054 /nfs/dbraw/zinc/99/10/54/722991054.db2.gz CRGRYZHGPHLMET-CYBMUJFWSA-N 0 3 350.256 3.096 20 10 FGCDHN Cc1ncc([C@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000761432256 723153558 /nfs/dbraw/zinc/15/35/58/723153558.db2.gz KQCPLBUJVSHHDI-BBRMVZONSA-N 0 3 358.511 3.004 20 10 FGCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1[O-] ZINC000763453402 723343869 /nfs/dbraw/zinc/34/38/69/723343869.db2.gz RXTAZQSORFACIU-LPHOPBHVSA-N 0 3 365.832 3.449 20 10 FGCDHN Cc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1 ZINC000775037023 723954907 /nfs/dbraw/zinc/95/49/07/723954907.db2.gz JIWYHNLFVRXNSS-UHFFFAOYSA-N 0 3 373.396 3.413 20 10 FGCDHN C[C@H]1C[C@H](NCc2ccc(S(C)(=O)=O)s2)c2c1c(F)ccc2O ZINC000786964621 725010361 /nfs/dbraw/zinc/01/03/61/725010361.db2.gz ZJHJYYSXWUVFTG-CABZTGNLSA-N 0 3 355.456 3.334 20 10 FGCDHN CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(OCC)ccc1O ZINC000809726873 725263359 /nfs/dbraw/zinc/26/33/59/725263359.db2.gz WSBRUYYUQXUUBE-INIZCTEOSA-N 0 3 350.459 3.282 20 10 FGCDHN CCCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(OCC)c1O ZINC000809725889 725263372 /nfs/dbraw/zinc/26/33/72/725263372.db2.gz FMQUZNBFFYYLLQ-INIZCTEOSA-N 0 3 350.459 3.282 20 10 FGCDHN CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000809725909 725263387 /nfs/dbraw/zinc/26/33/87/725263387.db2.gz GBMBAVWFJVUKTH-INIZCTEOSA-N 0 3 350.459 3.282 20 10 FGCDHN CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000809725909 725263389 /nfs/dbraw/zinc/26/33/89/725263389.db2.gz GBMBAVWFJVUKTH-INIZCTEOSA-N 0 3 350.459 3.282 20 10 FGCDHN Cc1cc(Br)c([O-])c(C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000809737158 725263874 /nfs/dbraw/zinc/26/38/74/725263874.db2.gz DGGBXBLXZZSZKL-HNNXBMFYSA-N 0 3 371.319 3.006 20 10 FGCDHN Cc1cc(Br)c([O-])c(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000809737158 725263877 /nfs/dbraw/zinc/26/38/77/725263877.db2.gz DGGBXBLXZZSZKL-HNNXBMFYSA-N 0 3 371.319 3.006 20 10 FGCDHN Cc1cc(Br)c([O-])c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000809737158 725263879 /nfs/dbraw/zinc/26/38/79/725263879.db2.gz DGGBXBLXZZSZKL-HNNXBMFYSA-N 0 3 371.319 3.006 20 10 FGCDHN COc1cccc([O-])c1C[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000815144595 727044621 /nfs/dbraw/zinc/04/46/21/727044621.db2.gz HFELRRIRPOWAPB-UHFFFAOYSA-N 0 3 351.830 3.404 20 10 FGCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000824690579 729355300 /nfs/dbraw/zinc/35/53/00/729355300.db2.gz HAOFQIHJLXNTRX-HXUWFJFHSA-N 0 3 360.885 3.342 20 10 FGCDHN COc1cc(Cl)cc(CN[C@H](CC(=O)N(C)C)c2ccccc2)c1O ZINC000824926771 729365404 /nfs/dbraw/zinc/36/54/04/729365404.db2.gz SRQGYEVFNWZPFX-MRXNPFEDSA-N 0 3 362.857 3.363 20 10 FGCDHN Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1ccccc1[O-] ZINC000825133734 729372496 /nfs/dbraw/zinc/37/24/96/729372496.db2.gz MGLLSHVUESQVQC-AWEZNQCLSA-N 0 3 364.283 3.404 20 10 FGCDHN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)c1 ZINC000828667184 729446422 /nfs/dbraw/zinc/44/64/22/729446422.db2.gz NTXAJGLNAGCISW-XHDPSFHLSA-N 0 3 363.845 3.025 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1[O-] ZINC000842919962 730557000 /nfs/dbraw/zinc/55/70/00/730557000.db2.gz OEAKQYSWWKYPIJ-PXAZEXFGSA-N 0 3 372.303 3.291 20 10 FGCDHN COc1ccc(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000843406341 730616090 /nfs/dbraw/zinc/61/60/90/730616090.db2.gz HIAIMMUDOXQPQL-ZFWWWQNUSA-N 0 3 350.459 3.136 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H]2CNc3ccccc3C2)c1[O-] ZINC000844907814 730787876 /nfs/dbraw/zinc/78/78/76/730787876.db2.gz OCHOMVFRFNAWGI-CQSZACIVSA-N 0 3 363.255 3.290 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1[O-] ZINC000846210678 730936819 /nfs/dbraw/zinc/93/68/19/730936819.db2.gz BHZBYDYVOFZZTB-MLGOLLRUSA-N 0 3 358.276 3.045 20 10 FGCDHN COc1cc(Br)cc([C@H](C)NCc2cnn(C)c2C)c1O ZINC000848536490 731177597 /nfs/dbraw/zinc/17/75/97/731177597.db2.gz PWPAKXJKGJRPRK-VIFPVBQESA-N 0 3 354.248 3.056 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(C)c2C)c1[O-] ZINC000848536490 731177600 /nfs/dbraw/zinc/17/76/00/731177600.db2.gz PWPAKXJKGJRPRK-VIFPVBQESA-N 0 3 354.248 3.056 20 10 FGCDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nnc(C)s2)c1[O-] ZINC000848550442 731179742 /nfs/dbraw/zinc/17/97/42/731179742.db2.gz MQVKTIBVWDLVPV-MRVPVSSYSA-N 0 3 372.288 3.217 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccccn2)c1[O-] ZINC000848567305 731182768 /nfs/dbraw/zinc/18/27/68/731182768.db2.gz SFOCMPXMEMQHLQ-LLVKDONJSA-N 0 3 351.244 3.279 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848569608 731183397 /nfs/dbraw/zinc/18/33/97/731183397.db2.gz FYJCUWXSMAAGPN-ZWNOBZJWSA-N 0 3 369.259 3.097 20 10 FGCDHN CCc1cccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000848905723 731219130 /nfs/dbraw/zinc/21/91/30/731219130.db2.gz LXSSKIIQPBYFEE-UHFFFAOYSA-N 0 3 353.871 3.301 20 10 FGCDHN CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000848918538 731220714 /nfs/dbraw/zinc/22/07/14/731220714.db2.gz CJTAVTSZYYRGAI-UHFFFAOYSA-N 0 3 350.434 3.364 20 10 FGCDHN COc1cc(Br)cc(CN[C@H]2C[C@@H](O)c3ccccc32)c1O ZINC000850372815 731349500 /nfs/dbraw/zinc/34/95/00/731349500.db2.gz ZIDMGUNHOVZFSB-LSDHHAIUSA-N 0 3 364.239 3.431 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)c1[O-] ZINC000858563779 732227373 /nfs/dbraw/zinc/22/73/73/732227373.db2.gz UZLJNRWMCYIXRN-VIFPVBQESA-N 0 3 353.216 3.115 20 10 FGCDHN CCC1(N2CCOCC2)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000862536048 732845375 /nfs/dbraw/zinc/84/53/75/732845375.db2.gz FOSOMXSUMDYDFU-UHFFFAOYSA-N 0 3 356.869 3.262 20 10 FGCDHN CCC1([NH+]2CCOCC2)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000862536048 732845383 /nfs/dbraw/zinc/84/53/83/732845383.db2.gz FOSOMXSUMDYDFU-UHFFFAOYSA-N 0 3 356.869 3.262 20 10 FGCDHN CCC1(N2CCOCC2)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000862536611 732846208 /nfs/dbraw/zinc/84/62/08/732846208.db2.gz QGSCOKZBPYFJTN-UHFFFAOYSA-N 0 3 352.906 3.431 20 10 FGCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1[O-] ZINC000865784781 733269529 /nfs/dbraw/zinc/26/95/29/733269529.db2.gz IXAVNFHDHWYQFA-WFASDCNBSA-N 0 3 370.287 3.316 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1[O-] ZINC000866447209 733350736 /nfs/dbraw/zinc/35/07/36/733350736.db2.gz WWUXIDUACDKVCA-LSERIUQWSA-N 0 3 368.271 3.237 20 10 FGCDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1[O-] ZINC000866463053 733352849 /nfs/dbraw/zinc/35/28/49/733352849.db2.gz HQRPHEZALHDWFC-KJNMHVQDSA-N 0 3 372.181 3.126 20 10 FGCDHN CCCOc1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000873130023 735723707 /nfs/dbraw/zinc/72/37/07/735723707.db2.gz XXLKHNFOXOJZKA-KRWDZBQOSA-N 0 3 359.491 3.445 20 10 FGCDHN COc1ccc(O)c(CNCc2c(C(F)(F)F)nc3n2CCCC3)c1 ZINC000877036008 736178788 /nfs/dbraw/zinc/17/87/88/736178788.db2.gz MAVUXDJNBWLKRG-UHFFFAOYSA-N 0 3 355.360 3.242 20 10 FGCDHN Cc1cnc(Cl)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000891242265 739885946 /nfs/dbraw/zinc/88/59/46/739885946.db2.gz DKZNNBLEBLJZRP-QGZVFWFLSA-N 0 3 360.889 3.142 20 10 FGCDHN Cc1csc([C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891248881 739886519 /nfs/dbraw/zinc/88/65/19/739886519.db2.gz NXVKMRBDCVUNRR-WMLDXEAASA-N 0 3 360.527 3.040 20 10 FGCDHN CC(C)c1ncsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891249830 739886641 /nfs/dbraw/zinc/88/66/41/739886641.db2.gz TWKASVSBGWPQNA-MRXNPFEDSA-N 0 3 360.527 3.365 20 10 FGCDHN COc1ccc(CNCC(=O)Nc2ccc(C)cc2Cl)c(O)c1OC ZINC000894988336 742361686 /nfs/dbraw/zinc/36/16/86/742361686.db2.gz DGNJSXPQGSQIOF-UHFFFAOYSA-N 0 3 364.829 3.100 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)c1[O-] ZINC000903391393 743843816 /nfs/dbraw/zinc/84/38/16/743843816.db2.gz XOSMMPGPJLPSLB-DOMZBBRYSA-N 0 3 370.287 3.452 20 10 FGCDHN COc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1[O-] ZINC000922896724 759024580 /nfs/dbraw/zinc/02/45/80/759024580.db2.gz JKQQGVCHPWJMQS-WBMJQRKESA-N 0 3 370.287 3.458 20 10 FGCDHN CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000926910879 759845706 /nfs/dbraw/zinc/84/57/06/759845706.db2.gz WYYDEZPWYOFIJX-CYBMUJFWSA-N 0 3 351.443 3.218 20 10 FGCDHN CC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000779006077 724380450 /nfs/dbraw/zinc/38/04/50/724380450.db2.gz MMYUFAVXOZDUDY-LLVKDONJSA-N 0 3 355.276 3.125 20 10 FGCDHN CC1CCN(c2ccc(CNC(=O)N(C)CC3CCN(C)CC3)cc2)CC1 ZINC000108443863 494708468 /nfs/dbraw/zinc/70/84/68/494708468.db2.gz MGNPVTYJLQNPIU-UHFFFAOYSA-N 0 3 372.557 3.406 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000121773170 494856914 /nfs/dbraw/zinc/85/69/14/494856914.db2.gz FUWSHFFLPMMJQH-MRXNPFEDSA-N 0 3 352.438 3.213 20 10 FGCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1[O-] ZINC000121773170 494856918 /nfs/dbraw/zinc/85/69/18/494856918.db2.gz FUWSHFFLPMMJQH-MRXNPFEDSA-N 0 3 352.438 3.213 20 10 FGCDHN CCOc1cccc(CN2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000123059258 495074411 /nfs/dbraw/zinc/07/44/11/495074411.db2.gz ZRJYIZPPUROVOM-UHFFFAOYSA-N 0 3 354.450 3.185 20 10 FGCDHN CC(=O)Nc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000101726213 495093370 /nfs/dbraw/zinc/09/33/70/495093370.db2.gz MUENBGLJGGEUAK-UHFFFAOYSA-N 0 3 353.466 3.114 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124191108 495248562 /nfs/dbraw/zinc/24/85/62/495248562.db2.gz LVYVEYMMCOTSOH-INIZCTEOSA-N 0 3 370.497 3.488 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124191108 495248563 /nfs/dbraw/zinc/24/85/63/495248563.db2.gz LVYVEYMMCOTSOH-INIZCTEOSA-N 0 3 370.497 3.488 20 10 FGCDHN CC[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000130498577 495401050 /nfs/dbraw/zinc/40/10/50/495401050.db2.gz DJBZHMHNKQMAQK-OAQYLSRUSA-N 0 3 367.541 3.140 20 10 FGCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176308406 495591325 /nfs/dbraw/zinc/59/13/25/495591325.db2.gz JACKXKZTYPVJET-MSOLQXFVSA-N 0 3 352.482 3.188 20 10 FGCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179780784 495732944 /nfs/dbraw/zinc/73/29/44/495732944.db2.gz SJJIDRFBSIGQCY-OAHLLOKOSA-N 0 3 352.438 3.213 20 10 FGCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179780784 495732950 /nfs/dbraw/zinc/73/29/50/495732950.db2.gz SJJIDRFBSIGQCY-OAHLLOKOSA-N 0 3 352.438 3.213 20 10 FGCDHN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(N2CCCCC2)cc1 ZINC000179986174 495811459 /nfs/dbraw/zinc/81/14/59/495811459.db2.gz QMMQVUJVCZGCBI-XLIONFOSSA-N 0 3 360.498 3.250 20 10 FGCDHN Cc1cc(O)c(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174283981 495893820 /nfs/dbraw/zinc/89/38/20/495893820.db2.gz XBAOLLQHIABLNR-OAHLLOKOSA-N 0 3 362.495 3.110 20 10 FGCDHN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000174283981 495893824 /nfs/dbraw/zinc/89/38/24/495893824.db2.gz XBAOLLQHIABLNR-OAHLLOKOSA-N 0 3 362.495 3.110 20 10 FGCDHN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000155413957 495950261 /nfs/dbraw/zinc/95/02/61/495950261.db2.gz RRNQUFOYNRDQDN-INIZCTEOSA-N 0 3 353.466 3.332 20 10 FGCDHN Oc1ccccc1CN(Cc1ccc(-n2ccnc2)nc1)C[C@@H]1CCCO1 ZINC000177153360 495950963 /nfs/dbraw/zinc/95/09/63/495950963.db2.gz RSLWXQOLNQOHEU-IBGZPJMESA-N 0 3 364.449 3.154 20 10 FGCDHN COc1cc([O-])c(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381328 495956686 /nfs/dbraw/zinc/95/66/86/495956686.db2.gz HXPZUZSXDALKTA-CQSZACIVSA-N 0 3 368.437 3.183 20 10 FGCDHN COc1cc([O-])c(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381328 495956693 /nfs/dbraw/zinc/95/66/93/495956693.db2.gz HXPZUZSXDALKTA-CQSZACIVSA-N 0 3 368.437 3.183 20 10 FGCDHN COc1cc(O)c(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381328 495956699 /nfs/dbraw/zinc/95/66/99/495956699.db2.gz HXPZUZSXDALKTA-CQSZACIVSA-N 0 3 368.437 3.183 20 10 FGCDHN Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)cc1 ZINC000183404001 495967425 /nfs/dbraw/zinc/96/74/25/495967425.db2.gz HCAWJMZAGFFRJD-INIZCTEOSA-N 0 3 374.506 3.205 20 10 FGCDHN COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183474029 495999251 /nfs/dbraw/zinc/99/92/51/495999251.db2.gz URHQXEGTQGDQCR-INIZCTEOSA-N 0 3 368.477 3.285 20 10 FGCDHN CC[C@H](C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N(C)C ZINC000163775527 496556897 /nfs/dbraw/zinc/55/68/97/496556897.db2.gz WHGXEALGHKZICH-MRXNPFEDSA-N 0 3 373.419 3.010 20 10 FGCDHN C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184983551 496610884 /nfs/dbraw/zinc/61/08/84/496610884.db2.gz VNMAWJHXQBUUKY-LBPRGKRZSA-N 0 3 360.329 3.376 20 10 FGCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000185131743 496674584 /nfs/dbraw/zinc/67/45/84/496674584.db2.gz HTOZGTLCEYBKIN-VLIAUNLRSA-N 0 3 370.449 3.369 20 10 FGCDHN C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000185165704 496688555 /nfs/dbraw/zinc/68/85/55/496688555.db2.gz SYVRLCJWYYKPJE-AWEZNQCLSA-N 0 3 360.889 3.043 20 10 FGCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c([O-])c1 ZINC000185178838 496693800 /nfs/dbraw/zinc/69/38/00/496693800.db2.gz CSUNYVZGZJYWIZ-INIZCTEOSA-N 0 3 374.506 3.336 20 10 FGCDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000273618380 496854812 /nfs/dbraw/zinc/85/48/12/496854812.db2.gz YHDNQVWKYZTOHO-SGTLLEGYSA-N 0 3 355.413 3.021 20 10 FGCDHN CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3[O-])C2)ncn1 ZINC000248528840 497031639 /nfs/dbraw/zinc/03/16/39/497031639.db2.gz WIUWQDGQJCSOLC-GDBMZVCRSA-N 0 3 356.470 3.073 20 10 FGCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000265412918 497114696 /nfs/dbraw/zinc/11/46/96/497114696.db2.gz FRMDDDHTCAMFNE-UHFFFAOYSA-N 0 3 358.530 3.299 20 10 FGCDHN CCN1CCN(c2cccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])c2)CC1 ZINC000192512960 497137353 /nfs/dbraw/zinc/13/73/53/497137353.db2.gz WSZZWVUPYZRQJC-UHFFFAOYSA-N 0 3 368.437 3.297 20 10 FGCDHN CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3[O-])CC2)cc1 ZINC000236958281 497171843 /nfs/dbraw/zinc/17/18/43/497171843.db2.gz AUUWMGHKJKPDII-UHFFFAOYSA-N 0 3 354.450 3.185 20 10 FGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000237678722 497274794 /nfs/dbraw/zinc/27/47/94/497274794.db2.gz GZENOCGFZSBKJR-UWJYYQICSA-N 0 3 351.494 3.180 20 10 FGCDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479755 497564334 /nfs/dbraw/zinc/56/43/34/497564334.db2.gz YZWYTGVRWIPOII-PXNSSMCTSA-N 0 3 367.493 3.444 20 10 FGCDHN CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(C)cc1O ZINC000279942873 497596642 /nfs/dbraw/zinc/59/66/42/497596642.db2.gz BHMIYIPPEOLELY-KRWDZBQOSA-N 0 3 362.495 3.192 20 10 FGCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292070193 497866013 /nfs/dbraw/zinc/86/60/13/497866013.db2.gz KZWIWFDMJSFJKT-AWEZNQCLSA-N 0 3 355.276 3.035 20 10 FGCDHN CCOc1ccc2c(c1)[C@H](NCc1cc(OC)c(OC)cc1O)CCO2 ZINC000364301910 497887553 /nfs/dbraw/zinc/88/75/53/497887553.db2.gz CDFYHQQFPLTUAV-MRXNPFEDSA-N 0 3 359.422 3.422 20 10 FGCDHN CCOc1cccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000289373542 498124722 /nfs/dbraw/zinc/12/47/22/498124722.db2.gz BDBYDDUTPADTJJ-NRFANRHFSA-N 0 3 359.441 3.357 20 10 FGCDHN CCOc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1[O-] ZINC000289373542 498124727 /nfs/dbraw/zinc/12/47/27/498124727.db2.gz BDBYDDUTPADTJJ-NRFANRHFSA-N 0 3 359.441 3.357 20 10 FGCDHN COc1ccc(O)c([C@@H](C)N2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000364980820 498239065 /nfs/dbraw/zinc/23/90/65/498239065.db2.gz KEVUTERCEISZMY-OAHLLOKOSA-N 0 3 374.485 3.176 20 10 FGCDHN COc1ccc([C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N(C)C)cc1OC ZINC000296992933 498280156 /nfs/dbraw/zinc/28/01/56/498280156.db2.gz SKMFJEGGYHAHMR-IAGOWNOFSA-N 0 3 356.466 3.289 20 10 FGCDHN COc1ccc(N2CCC(N(C)C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000360521049 498281092 /nfs/dbraw/zinc/28/10/92/498281092.db2.gz SCXAVWRZUXLBRN-NRFANRHFSA-N 0 3 358.457 3.469 20 10 FGCDHN C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1[O-] ZINC000360717058 498301345 /nfs/dbraw/zinc/30/13/45/498301345.db2.gz VXSMUGZBOUEALE-CJNGLKHVSA-N 0 3 352.413 3.455 20 10 FGCDHN CN1CCN(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000293941557 498539382 /nfs/dbraw/zinc/53/93/82/498539382.db2.gz YSKCYBATDQQTAL-JOCHJYFZSA-N 0 3 367.537 3.293 20 10 FGCDHN O=S1(=O)CCC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000294287648 498645184 /nfs/dbraw/zinc/64/51/84/498645184.db2.gz MQQHLQLCGFJDTN-QUCCMNQESA-N 0 3 373.518 3.481 20 10 FGCDHN COc1c([O-])c(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000365828040 498658529 /nfs/dbraw/zinc/65/85/29/498658529.db2.gz TZTNSNKGCOFWSM-QAPCUYQASA-N 0 3 371.437 3.092 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000363859474 499028446 /nfs/dbraw/zinc/02/84/46/499028446.db2.gz SJWWOYVPOXVNOF-ZBFHGGJFSA-N 0 3 356.470 3.276 20 10 FGCDHN O=C1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])[C@H](C2CC2)N1 ZINC000366925186 499116927 /nfs/dbraw/zinc/11/69/27/499116927.db2.gz KGNSSAXRFUWUNT-KNQAVFIVSA-N 0 3 366.461 3.118 20 10 FGCDHN COc1cc(Br)cc(CN2CC[C@](CO)(C(C)C)C2)c1O ZINC000367956553 499249260 /nfs/dbraw/zinc/24/92/60/499249260.db2.gz CDKMZHWAHQTBAL-INIZCTEOSA-N 0 3 358.276 3.004 20 10 FGCDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371332534 499311413 /nfs/dbraw/zinc/31/14/13/499311413.db2.gz QHWUTXDIMHFRBD-NEPJUHHUSA-N 0 3 356.260 3.022 20 10 FGCDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371332534 499311414 /nfs/dbraw/zinc/31/14/14/499311414.db2.gz QHWUTXDIMHFRBD-NEPJUHHUSA-N 0 3 356.260 3.022 20 10 FGCDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1[O-] ZINC000371356758 499314545 /nfs/dbraw/zinc/31/45/45/499314545.db2.gz AHXZQBOYQCXAMV-UHFFFAOYSA-N 0 3 369.465 3.345 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000371397304 499321066 /nfs/dbraw/zinc/32/10/66/499321066.db2.gz ZYBCQFHEDDXRFL-CYBMUJFWSA-N 0 3 361.467 3.098 20 10 FGCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000372393372 499428443 /nfs/dbraw/zinc/42/84/43/499428443.db2.gz RNGSCNBTXFPAOX-UHFFFAOYSA-N 0 3 355.438 3.037 20 10 FGCDHN CCOc1ccc(O)c(CN2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000372393372 499428445 /nfs/dbraw/zinc/42/84/45/499428445.db2.gz RNGSCNBTXFPAOX-UHFFFAOYSA-N 0 3 355.438 3.037 20 10 FGCDHN C[C@@H](NCc1ccc2c(c1)CCN2C)c1cccc(N2CCOCC2)c1 ZINC000372417021 499432227 /nfs/dbraw/zinc/43/22/27/499432227.db2.gz NKNODLGDQGUZJE-QGZVFWFLSA-N 0 3 351.494 3.366 20 10 FGCDHN Cc1cccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1[O-] ZINC000372971935 499445277 /nfs/dbraw/zinc/44/52/77/499445277.db2.gz FRIKKUOAQYYRLO-UHFFFAOYSA-N 0 3 350.260 3.497 20 10 FGCDHN CN1CCc2cc(CNCc3ccc(Cl)cc3-n3cncn3)ccc21 ZINC000373401620 499467716 /nfs/dbraw/zinc/46/77/16/499467716.db2.gz ZWNJUNFJRNLRKI-UHFFFAOYSA-N 0 3 353.857 3.203 20 10 FGCDHN COCCn1ncc2c1[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])CCC2 ZINC000375205702 499495460 /nfs/dbraw/zinc/49/54/60/499495460.db2.gz FFRIUQFHVVZLNE-HNNXBMFYSA-N 0 3 365.861 3.064 20 10 FGCDHN CC[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(C)cc1[O-] ZINC000376572475 499619691 /nfs/dbraw/zinc/61/96/91/499619691.db2.gz SRCHOIVFHJOGGU-ZWKOTPCHSA-N 0 3 354.450 3.381 20 10 FGCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3C(N)=O)C2)c1 ZINC000376895202 499644363 /nfs/dbraw/zinc/64/43/63/499644363.db2.gz WAAAGDAKCBTSQO-HZPDHXFCSA-N 0 3 353.466 3.119 20 10 FGCDHN COCCN(C)c1ccc(CNCc2c(C)c3ccccc3n2C)cn1 ZINC000475195595 502096170 /nfs/dbraw/zinc/09/61/70/502096170.db2.gz XPUOSUWKQGYWBO-UHFFFAOYSA-N 0 3 352.482 3.254 20 10 FGCDHN COCCn1c(C)c(C)c2cc(C(=O)NCCN3CCCCC3)ccc21 ZINC000484694927 502711739 /nfs/dbraw/zinc/71/17/39/502711739.db2.gz KIIBJATUIANRBS-UHFFFAOYSA-N 0 3 357.498 3.120 20 10 FGCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000779052503 724385133 /nfs/dbraw/zinc/38/51/33/724385133.db2.gz RESXHTKHXIZHQV-WBMJQRKESA-N 0 3 372.303 3.291 20 10 FGCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736530991 598716122 /nfs/dbraw/zinc/71/61/22/598716122.db2.gz BBDINTPKQSUJDF-UHFFFAOYSA-N 0 3 368.460 3.484 20 10 FGCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736530991 598716124 /nfs/dbraw/zinc/71/61/24/598716124.db2.gz BBDINTPKQSUJDF-UHFFFAOYSA-N 0 3 368.460 3.484 20 10 FGCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736530991 598716126 /nfs/dbraw/zinc/71/61/26/598716126.db2.gz BBDINTPKQSUJDF-UHFFFAOYSA-N 0 3 368.460 3.484 20 10 FGCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736530991 598716128 /nfs/dbraw/zinc/71/61/28/598716128.db2.gz BBDINTPKQSUJDF-UHFFFAOYSA-N 0 3 368.460 3.484 20 10 FGCDHN