smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C[N@@H+](Cc2ccccc2O)[C@@H]2COC[C@@H]21 ZINC000384780242 710997146 /nfs/dbraw/zinc/99/71/46/710997146.db2.gz BILSACKJLMJVLK-QWHCGFSZSA-N 0 1 247.338 2.249 20 10 BECDMN CCn1ccnc1CNCc1cc(C)ccc1O ZINC000385393353 711704280 /nfs/dbraw/zinc/70/42/80/711704280.db2.gz VIDXQQVUPLXSPB-UHFFFAOYSA-N 0 1 245.326 2.207 20 10 BECDMN Cc1c[nH]c(CN[C@H](C)c2ccccc2O)n1 ZINC000703557220 712078457 /nfs/dbraw/zinc/07/84/57/712078457.db2.gz YGKLWFKXUVOHKP-SNVBAGLBSA-N 0 1 231.299 2.275 20 10 BECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3C[C@H]32)c1[O-] ZINC000707054672 712164254 /nfs/dbraw/zinc/16/42/54/712164254.db2.gz PAKNPALNKVDUFC-TVQRCGJNSA-N 0 1 249.285 2.328 20 10 BECDMN COc1ccc(CN2CCCO2)c(O)c1Cl ZINC001236801405 979736689 /nfs/dbraw/zinc/73/66/89/979736689.db2.gz IVCIKHUZHYWVIT-UHFFFAOYSA-N 0 1 243.690 2.192 20 10 BECDMN Cc1cccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1O ZINC001594403902 958879355 /nfs/dbraw/zinc/87/93/55/958879355.db2.gz FOQKSSFSWWBBJU-JTQLQIEISA-N 0 1 249.310 2.138 20 10 BECDMN Cc1ccc(O)c(CN(C)Cc2cncnc2)c1 ZINC001140624335 960466788 /nfs/dbraw/zinc/46/67/88/960466788.db2.gz REVUMGSUWHMGKR-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN C[C@@]1(F)CCCN(Cc2cc(O)ccc2O)C1 ZINC001141156616 960889999 /nfs/dbraw/zinc/88/99/99/960889999.db2.gz OSGYWHRLDXGHDE-CYBMUJFWSA-N 0 1 239.290 2.422 20 10 BECDMN C[C@@H]1CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685725 961245184 /nfs/dbraw/zinc/24/51/84/961245184.db2.gz VCCXHBNVPDQQST-SSDOTTSWSA-N 0 1 213.227 2.265 20 10 BECDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000234888843 961644989 /nfs/dbraw/zinc/64/49/89/961644989.db2.gz ICYNKNKZVVSSAX-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000234888843 961645004 /nfs/dbraw/zinc/64/50/04/961645004.db2.gz ICYNKNKZVVSSAX-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN Oc1cc(CN2CCC23CCCC3)cc(O)c1O ZINC001233011588 965454577 /nfs/dbraw/zinc/45/45/77/965454577.db2.gz ABLOPOXLYQNZBK-UHFFFAOYSA-N 0 1 249.310 2.322 20 10 BECDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203556127 966691484 /nfs/dbraw/zinc/69/14/84/966691484.db2.gz KMGHLAGWEFMANN-GFCCVEGCSA-N 0 1 233.311 2.193 20 10 BECDMN COc1ccc(O)c(CN2C[C@@H](C)[C@@H](F)C2)c1 ZINC001203670701 966734325 /nfs/dbraw/zinc/73/43/25/966734325.db2.gz WXCZSSMLGWXXET-SKDRFNHKSA-N 0 1 239.290 2.191 20 10 BECDMN Oc1ccc(CN2CCC[C@H]3C[C@H]32)cc1O ZINC001203878828 966805315 /nfs/dbraw/zinc/80/53/15/966805315.db2.gz DCNWXLXYFLOOIB-WDEREUQCSA-N 0 1 219.284 2.082 20 10 BECDMN CCN(Cc1cn(C)cn1)Cc1ccccc1O ZINC001206242248 968165586 /nfs/dbraw/zinc/16/55/86/968165586.db2.gz JFXQARVHYMQPRS-UHFFFAOYSA-N 0 1 245.326 2.148 20 10 BECDMN Cc1ccc(Nc2ccncc2)c(O)c1 ZINC001173882335 975928933 /nfs/dbraw/zinc/92/89/33/975928933.db2.gz FTWMFEIRSPCJBK-UHFFFAOYSA-N 0 1 200.241 2.261 20 10 BECDMN Cc1cccc(O)c1Nc1ccncc1 ZINC001173883186 975946454 /nfs/dbraw/zinc/94/64/54/975946454.db2.gz JYARPFAVNAOMRV-UHFFFAOYSA-N 0 1 200.241 2.261 20 10 BECDMN CC(=O)c1cccc(O)c1Nc1ccncc1 ZINC001173884906 975971057 /nfs/dbraw/zinc/97/10/57/975971057.db2.gz XKKLTJIHSIIYAE-UHFFFAOYSA-N 0 1 228.251 2.155 20 10 BECDMN Oc1cccc(Nc2ccc3nccn3c2)c1O ZINC001174278736 976513290 /nfs/dbraw/zinc/51/32/90/976513290.db2.gz GTIYMMMIAMAZTB-UHFFFAOYSA-N 0 1 241.250 2.489 20 10 BECDMN C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231448979 977591693 /nfs/dbraw/zinc/59/16/93/977591693.db2.gz TZRGKOXTRGHIKY-JTQLQIEISA-N 0 1 249.310 2.465 20 10 BECDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C(C)C ZINC001231559850 977630188 /nfs/dbraw/zinc/63/01/88/977630188.db2.gz JHRRODDMFVEFNU-UHFFFAOYSA-N 0 1 237.299 2.321 20 10 BECDMN CC1(C)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231564612 977637063 /nfs/dbraw/zinc/63/70/63/977637063.db2.gz UNFWNSSGBZNVPT-UHFFFAOYSA-N 0 1 249.310 2.322 20 10 BECDMN Cc1cccc(CN2C[C@H]3CC[C@@H]2CO3)c1O ZINC001231595204 977643221 /nfs/dbraw/zinc/64/32/21/977643221.db2.gz QQZUCIGXTSYQJD-CHWSQXEVSA-N 0 1 233.311 2.064 20 10 BECDMN C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)C2(CC2)C1 ZINC001233015308 978415123 /nfs/dbraw/zinc/41/51/23/978415123.db2.gz JWAPKCBTWJSPQG-VIFPVBQESA-N 0 1 249.310 2.178 20 10 BECDMN COc1ccc(O)c(CN2CCC[C@H](F)C2)c1 ZINC000689907776 979059911 /nfs/dbraw/zinc/05/99/11/979059911.db2.gz UMTOEMURSMMCES-NSHDSACASA-N 0 1 239.290 2.335 20 10 BECDMN CCc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001236792254 979737033 /nfs/dbraw/zinc/73/70/33/979737033.db2.gz NERXFLAGYYGQKJ-DZGCQCFKSA-N 0 1 247.338 2.175 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1CCC[C@@H](O)[C@@H](C)C1 ZINC001237484282 979911959 /nfs/dbraw/zinc/91/19/59/979911959.db2.gz ACGMPMYLWHWUBQ-GXTWGEPZSA-N 0 1 249.354 2.293 20 10 BECDMN COC[C@@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC001237482677 979913045 /nfs/dbraw/zinc/91/30/45/979913045.db2.gz NFJXKNQZHRREQD-LBPRGKRZSA-N 0 1 235.327 2.311 20 10 BECDMN CC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC001237489562 979913565 /nfs/dbraw/zinc/91/35/65/979913565.db2.gz BXFXUWFMFKGQLA-LBPRGKRZSA-N 0 1 233.311 2.112 20 10 BECDMN Nc1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001608272258 980199568 /nfs/dbraw/zinc/19/95/68/980199568.db2.gz BMBRNCIMFWPIQL-CYBMUJFWSA-N 0 1 248.326 2.098 20 10 BECDMN CC[N@@H+](Cc1cccc(F)c1[O-])CC(C)(C)O ZINC000272343660 980713259 /nfs/dbraw/zinc/71/32/59/980713259.db2.gz ZCSCLGNIBYKZJZ-UHFFFAOYSA-N 0 1 241.306 2.124 20 10 BECDMN CCCC[N@@H+](CC(=O)[O-])Cc1ccccc1O ZINC001595741727 982403544 /nfs/dbraw/zinc/40/35/44/982403544.db2.gz POMYYHWTWHSQKK-UHFFFAOYSA-N 0 1 237.299 2.079 20 10 BECDMN Cn1ccc2c1ccnc2-c1ccc2nncn2c1 ZINC001245658403 987044250 /nfs/dbraw/zinc/04/42/50/987044250.db2.gz VBDSYQJPCSXZJL-UHFFFAOYSA-N 0 1 249.277 2.283 20 10 BECDMN C[C@@H](CCO)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001308845109 991172229 /nfs/dbraw/zinc/17/22/29/991172229.db2.gz ZJUGWZYCAMJHMM-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](CCO)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308845109 991172241 /nfs/dbraw/zinc/17/22/41/991172241.db2.gz ZJUGWZYCAMJHMM-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](CCO)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308845109 991172257 /nfs/dbraw/zinc/17/22/57/991172257.db2.gz ZJUGWZYCAMJHMM-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN Oc1ccc(F)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140063562 991518090 /nfs/dbraw/zinc/51/80/90/991518090.db2.gz SIVZKRPOVJLTSQ-UWJYBYFXSA-N 0 1 239.265 2.321 20 10 BECDMN Cc1ccc(C)c(CN(C)CCF)c1O ZINC001140185136 991556494 /nfs/dbraw/zinc/55/64/94/991556494.db2.gz PPEJXBOEPGTXHJ-UHFFFAOYSA-N 0 1 211.280 2.410 20 10 BECDMN Cc1ccc(C)c(CN2CCC(=O)[C@H](C)C2)c1O ZINC001140178623 991551322 /nfs/dbraw/zinc/55/13/22/991551322.db2.gz QYXRWVNAFAOMJQ-GFCCVEGCSA-N 0 1 247.338 2.420 20 10 BECDMN COCC1C[NH+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461934 991643442 /nfs/dbraw/zinc/64/34/42/991643442.db2.gz ZAMVEUQWGQLQQX-UHFFFAOYSA-N 0 1 241.718 2.124 20 10 BECDMN CCCO[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000701667868 993899564 /nfs/dbraw/zinc/89/95/64/993899564.db2.gz OMZGFXILQHQGKO-ZDUSSCGKSA-N 0 1 235.327 2.393 20 10 BECDMN [O-]c1c(C[NH2+]C/C=C/CO)ccc2ccccc12 ZINC001621432080 1170806851 /nfs/dbraw/zinc/80/68/51/1170806851.db2.gz GDBRKZSKANQDFP-ONEGZZNKSA-N 0 1 243.306 2.184 20 10 BECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC001621496701 1170827755 /nfs/dbraw/zinc/82/77/55/1170827755.db2.gz QCJSJZZQIDLZDT-QMMMGPOBSA-N 0 1 245.244 2.462 20 10 BECDMN Cc1cc(CNCc2cccc(C)c2O)on1 ZINC000127877525 178026088 /nfs/dbraw/zinc/02/60/88/178026088.db2.gz JONTVTQUZBDXKH-UHFFFAOYSA-N 0 1 232.283 2.287 20 10 BECDMN Cc1cccc(CN(C)Cc2cnn(C)c2)c1O ZINC000179601687 179070167 /nfs/dbraw/zinc/07/01/67/179070167.db2.gz NDWZWOXONLAUDN-UHFFFAOYSA-N 0 1 245.326 2.066 20 10 BECDMN Cc1cc(O)c(CN2CCOC[C@@H]2C)cc1C ZINC000033824099 368262805 /nfs/dbraw/zinc/26/28/05/368262805.db2.gz HNOSYZMYQPLVFT-LBPRGKRZSA-N 0 1 235.327 2.230 20 10 BECDMN [O-]c1ccc(Br)cc1C[NH2+]CCF ZINC000280816240 183266817 /nfs/dbraw/zinc/26/68/17/183266817.db2.gz USSXPRMJOXOURW-UHFFFAOYSA-N 0 1 248.095 2.214 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCOCC1 ZINC000036319482 183273664 /nfs/dbraw/zinc/27/36/64/183273664.db2.gz QKCTYUPQSHPWHS-UHFFFAOYSA-N 0 1 241.718 2.314 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCOCC1 ZINC000083552138 183292456 /nfs/dbraw/zinc/29/24/56/183292456.db2.gz YEYXXWLELIQMRP-UHFFFAOYSA-N 0 1 241.718 2.314 20 10 BECDMN CCC[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113342293 383976973 /nfs/dbraw/zinc/97/69/73/383976973.db2.gz SZJODQIMEJYHEN-SECBINFHSA-N 0 1 243.734 2.296 20 10 BECDMN C[C@@H](CCCO)[NH2+]Cc1c([O-])cccc1Cl ZINC000095016429 384327109 /nfs/dbraw/zinc/32/71/09/384327109.db2.gz CMDPQNBUJRBZHE-VIFPVBQESA-N 0 1 243.734 2.296 20 10 BECDMN CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134904656 384398688 /nfs/dbraw/zinc/39/86/88/384398688.db2.gz JREGTZXMLWDEAK-WPRPVWTQSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@H](CO)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000123207430 384539382 /nfs/dbraw/zinc/53/93/82/384539382.db2.gz ZRPSFUUYQJYEQH-BDAKNGLRSA-N 0 1 243.734 2.152 20 10 BECDMN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000295849261 386710412 /nfs/dbraw/zinc/71/04/12/386710412.db2.gz DUXIOKNSDLRWAR-UJNFCWOMSA-N 0 1 241.718 2.220 20 10 BECDMN CC[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552509 171183293 /nfs/dbraw/zinc/18/32/93/171183293.db2.gz MTUWATSALAPBIQ-GFCCVEGCSA-N 0 1 243.734 2.296 20 10 BECDMN COCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000132707327 174280719 /nfs/dbraw/zinc/28/07/19/174280719.db2.gz IWVQNVLNEJLDTG-UHFFFAOYSA-N 0 1 229.707 2.124 20 10 BECDMN COCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000132707327 174280721 /nfs/dbraw/zinc/28/07/21/174280721.db2.gz IWVQNVLNEJLDTG-UHFFFAOYSA-N 0 1 229.707 2.124 20 10 BECDMN COc1ccc(O)c(CNCc2ccco2)c1 ZINC000020084142 175158909 /nfs/dbraw/zinc/15/89/09/175158909.db2.gz MGEUKZJSJOHSCD-UHFFFAOYSA-N 0 1 233.267 2.284 20 10 BECDMN COc1ccc2c(c1)CCN2Cc1[nH]ncc1C ZINC000283730356 175208608 /nfs/dbraw/zinc/20/86/08/175208608.db2.gz CDCWNTGXMSJPCO-UHFFFAOYSA-N 0 1 243.310 2.289 20 10 BECDMN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000160234751 177264264 /nfs/dbraw/zinc/26/42/64/177264264.db2.gz GXRHUIOCUKLJAM-JTQLQIEISA-N 0 1 239.290 2.142 20 10 BECDMN C[C@H]1COCCN1Cc1cc2c(cc1O)CCC2 ZINC000033882223 177292960 /nfs/dbraw/zinc/29/29/60/177292960.db2.gz QATLHXRCKJCWMN-NSHDSACASA-N 0 1 247.338 2.102 20 10 BECDMN CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H](C)O ZINC001652462817 1173086340 /nfs/dbraw/zinc/08/63/40/1173086340.db2.gz IOEFZCWSSDESIY-LDYMZIIASA-N 0 1 243.734 2.295 20 10 BECDMN Cc1ncoc1CN(C)Cc1ccccc1O ZINC000893961009 583255733 /nfs/dbraw/zinc/25/57/33/583255733.db2.gz AUUKOXIBHZRQIL-UHFFFAOYSA-N 0 1 232.283 2.321 20 10 BECDMN Cc1ccc(C[N@H+](C)C2(CO)CCC2)c(O)c1 ZINC000877642535 583342007 /nfs/dbraw/zinc/34/20/07/583342007.db2.gz ZPSZKOIPPBWIGM-UHFFFAOYSA-N 0 1 235.327 2.047 20 10 BECDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC=CCC1 ZINC000894423450 583455704 /nfs/dbraw/zinc/45/57/04/583455704.db2.gz QPNPOGFSICNIHU-UHFFFAOYSA-N 0 1 225.238 2.432 20 10 BECDMN CCn1cnc(CN[C@H](C)c2ccccc2O)c1 ZINC000902642859 584645373 /nfs/dbraw/zinc/64/53/73/584645373.db2.gz JSKRKIIBVGYARK-LLVKDONJSA-N 0 1 245.326 2.459 20 10 BECDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC(O)C1 ZINC000761224300 585412449 /nfs/dbraw/zinc/41/24/49/585412449.db2.gz VTKDPMOKAKPJIZ-UHFFFAOYSA-N 0 1 241.718 2.001 20 10 BECDMN CCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(C)C1 ZINC000770511075 585575175 /nfs/dbraw/zinc/57/51/75/585575175.db2.gz YSSXHCJUQCQGNF-AWEZNQCLSA-N 0 1 248.370 2.308 20 10 BECDMN Oc1ccccc1CN1CCc2ncsc2C1 ZINC000783746058 585841925 /nfs/dbraw/zinc/84/19/25/585841925.db2.gz VIVYGZOFYHYAEJ-UHFFFAOYSA-N 0 1 246.335 2.407 20 10 BECDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000788269059 585919876 /nfs/dbraw/zinc/91/98/76/585919876.db2.gz LBZLIBOVSRGFRV-PSASIEDQSA-N 0 1 241.718 2.001 20 10 BECDMN C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000788268503 585920157 /nfs/dbraw/zinc/92/01/57/585920157.db2.gz DVSFCMQEYSFKQB-KWQFWETISA-N 0 1 241.718 2.001 20 10 BECDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000788268503 585920158 /nfs/dbraw/zinc/92/01/58/585920158.db2.gz DVSFCMQEYSFKQB-KWQFWETISA-N 0 1 241.718 2.001 20 10 BECDMN CO[C@H](C)C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000795749738 586091815 /nfs/dbraw/zinc/09/18/15/586091815.db2.gz IBSNQFFVOPWYRA-LLVKDONJSA-N 0 1 249.354 2.348 20 10 BECDMN COC1(C)CN(Cc2cccc(Cl)c2O)C1 ZINC000813331942 586600294 /nfs/dbraw/zinc/60/02/94/586600294.db2.gz NRWBQANIXIOCSA-UHFFFAOYSA-N 0 1 241.718 2.266 20 10 BECDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])[C@H](C)CO ZINC000814170592 586614271 /nfs/dbraw/zinc/61/42/71/586614271.db2.gz ZLFLAFDXPJGGFD-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H](C)CO ZINC000814170592 586614272 /nfs/dbraw/zinc/61/42/72/586614272.db2.gz ZLFLAFDXPJGGFD-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](CO)[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816611790 586744059 /nfs/dbraw/zinc/74/40/59/586744059.db2.gz XHVKMJVVTWRBMN-LLVKDONJSA-N 0 1 245.322 2.358 20 10 BECDMN C[C@H](CO)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816611790 586744061 /nfs/dbraw/zinc/74/40/61/586744061.db2.gz XHVKMJVVTWRBMN-LLVKDONJSA-N 0 1 245.322 2.358 20 10 BECDMN C[C@H](CO)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816611790 586744063 /nfs/dbraw/zinc/74/40/63/586744063.db2.gz XHVKMJVVTWRBMN-LLVKDONJSA-N 0 1 245.322 2.358 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000817412093 586802071 /nfs/dbraw/zinc/80/20/71/586802071.db2.gz CUOVPQMIPAVMDU-STQMWFEESA-N 0 1 249.354 2.151 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)O)cc1Cl ZINC000825699094 587333159 /nfs/dbraw/zinc/33/31/59/587333159.db2.gz RZQVBHAXVDENKM-VIFPVBQESA-N 0 1 243.734 2.215 20 10 BECDMN Cc1cc(N(C)C)ccc1CN1CCOC[C@H]1C ZINC000840911370 587929348 /nfs/dbraw/zinc/92/93/48/587929348.db2.gz XXHWXEBADMJVTH-CYBMUJFWSA-N 0 1 248.370 2.282 20 10 BECDMN C[C@@H](N)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841076593 587944275 /nfs/dbraw/zinc/94/42/75/587944275.db2.gz JORFGIJWBWDGDR-RQJHMYQMSA-N 0 1 246.713 2.010 20 10 BECDMN CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745115 587973881 /nfs/dbraw/zinc/97/38/81/587973881.db2.gz UQCDBNPNUUIQLY-PSASIEDQSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@H](CCO)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000846111366 588257278 /nfs/dbraw/zinc/25/72/78/588257278.db2.gz OOZDGEQILVLKCO-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](CCO)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000846113105 588257283 /nfs/dbraw/zinc/25/72/83/588257283.db2.gz ZHSIRBGUWCOZPH-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](CCO)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000846113105 588257284 /nfs/dbraw/zinc/25/72/84/588257284.db2.gz ZHSIRBGUWCOZPH-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](CCO)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000846111367 588257415 /nfs/dbraw/zinc/25/74/15/588257415.db2.gz OOZDGEQILVLKCO-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H]([NH2+]C/C=C\CO)c1ccc(Cl)cc1[O-] ZINC000850509787 588554534 /nfs/dbraw/zinc/55/45/34/588554534.db2.gz SNTFVHZAXCXZRC-XADBCAIWSA-N 0 1 241.718 2.245 20 10 BECDMN C[C@@H]([NH2+]C/C=C\CO)c1ccc(Cl)cc1[O-] ZINC000850509786 588554620 /nfs/dbraw/zinc/55/46/20/588554620.db2.gz SNTFVHZAXCXZRC-PKRMOACSSA-N 0 1 241.718 2.245 20 10 BECDMN C[C@@H]([NH2+]CC(C)(C)CO)c1cc(F)ccc1[O-] ZINC000122035706 589550922 /nfs/dbraw/zinc/55/09/22/589550922.db2.gz VMTHINQOISVWAQ-SECBINFHSA-N 0 1 241.306 2.200 20 10 BECDMN CC(C)[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000123919810 589854354 /nfs/dbraw/zinc/85/43/54/589854354.db2.gz LYPLORRGCUVVAB-LBPRGKRZSA-N 0 1 243.734 2.152 20 10 BECDMN Cc1cccc(O)c1C[N@@H+]1CCOC[C@H](C)C1 ZINC000876752505 590237898 /nfs/dbraw/zinc/23/78/98/590237898.db2.gz RWVHFYWLPZGVFY-LLVKDONJSA-N 0 1 235.327 2.169 20 10 BECDMN Cc1ccc(C[N@@H+](C)C[C@H]2CCOC2)c(O)c1 ZINC000876789004 590241047 /nfs/dbraw/zinc/24/10/47/590241047.db2.gz QOWALNGEUBSATC-GFCCVEGCSA-N 0 1 235.327 2.169 20 10 BECDMN Cc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000877170189 590295952 /nfs/dbraw/zinc/29/59/52/590295952.db2.gz JNISBZDBHKMHBQ-OLZOCXBDSA-N 0 1 249.354 2.293 20 10 BECDMN Cc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(O)c1 ZINC000877409688 590324047 /nfs/dbraw/zinc/32/40/47/590324047.db2.gz XZEXVQYYXKPBCQ-QWHCGFSZSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c(O)c1 ZINC000877409688 590324050 /nfs/dbraw/zinc/32/40/50/590324050.db2.gz XZEXVQYYXKPBCQ-QWHCGFSZSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c(O)c1 ZINC000877631943 590377710 /nfs/dbraw/zinc/37/77/10/590377710.db2.gz WTEHUDNVKPKOPF-UKRRQHHQSA-N 0 1 247.338 2.169 20 10 BECDMN COc1cc(CN[C@H](C)c2ccccc2O)on1 ZINC000879648805 590842123 /nfs/dbraw/zinc/84/21/23/590842123.db2.gz ACUYNDSJCHXIDM-SECBINFHSA-N 0 1 248.282 2.240 20 10 BECDMN C[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000130249958 591451131 /nfs/dbraw/zinc/45/11/31/591451131.db2.gz AILUFJRJANSPOS-VIFPVBQESA-N 0 1 242.750 2.085 20 10 BECDMN C[C@H](NCc1ccn(C)n1)c1cc(F)ccc1O ZINC000213179597 591454845 /nfs/dbraw/zinc/45/48/45/591454845.db2.gz YISQVZQTWCASMZ-VIFPVBQESA-N 0 1 249.289 2.116 20 10 BECDMN CC[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000131707466 591643883 /nfs/dbraw/zinc/64/38/83/591643883.db2.gz OQDIACVAZMIUGS-LLVKDONJSA-N 0 1 243.734 2.296 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000086729772 598132123 /nfs/dbraw/zinc/13/21/23/598132123.db2.gz BUTTVVOYSONFGI-LBPRGKRZSA-N 0 1 249.310 2.140 20 10 BECDMN CC[C@@H]([NH2+]CCO)c1cc(Cl)ccc1[O-] ZINC000309191329 632745012 /nfs/dbraw/zinc/74/50/12/632745012.db2.gz PSGHWWDTZSTGSJ-SNVBAGLBSA-N 0 1 229.707 2.079 20 10 BECDMN CC[C@H]([NH2+]C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000309994475 634053030 /nfs/dbraw/zinc/05/30/30/634053030.db2.gz BTOPVBUPFFCCTG-KWQFWETISA-N 0 1 243.734 2.467 20 10 BECDMN COCC1C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000895970089 636185590 /nfs/dbraw/zinc/18/55/90/636185590.db2.gz BZVHPYWGFSLOCH-UHFFFAOYSA-N 0 1 241.718 2.124 20 10 BECDMN C[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000180190262 642777286 /nfs/dbraw/zinc/77/72/86/642777286.db2.gz LHNIXFYWJOWYMD-LBPRGKRZSA-N 0 1 241.718 2.002 20 10 BECDMN C[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000180190262 642777289 /nfs/dbraw/zinc/77/72/89/642777289.db2.gz LHNIXFYWJOWYMD-LBPRGKRZSA-N 0 1 241.718 2.002 20 10 BECDMN C[C@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000085126963 643685793 /nfs/dbraw/zinc/68/57/93/643685793.db2.gz KRBQSLUTBACGLL-SECBINFHSA-N 0 1 243.734 2.154 20 10 BECDMN C[C@@H](CCCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000087358626 644491129 /nfs/dbraw/zinc/49/11/29/644491129.db2.gz DWSKGMPETRFPOL-VIFPVBQESA-N 0 1 243.734 2.296 20 10 BECDMN COc1cc(CN2CC[C@@H](F)C2)c(O)cc1C ZINC000840105029 644866529 /nfs/dbraw/zinc/86/65/29/644866529.db2.gz WPKCUOWQOLVRJA-LLVKDONJSA-N 0 1 239.290 2.253 20 10 BECDMN COc1ccc(N(C)Cc2cnc[nH]2)cc1 ZINC000724772761 711611275 /nfs/dbraw/zinc/61/12/75/711611275.db2.gz FJXMPQNESVRLQD-UHFFFAOYSA-N 0 1 217.272 2.055 20 10 BECDMN C[C@@H](O)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227958300 711833166 /nfs/dbraw/zinc/83/31/66/711833166.db2.gz CYDPBPWJHMHEBJ-SECBINFHSA-N 0 1 243.734 2.296 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOCCF ZINC000702645353 712057931 /nfs/dbraw/zinc/05/79/31/712057931.db2.gz KVWSUQCGUPNRGP-UHFFFAOYSA-N 0 1 247.697 2.121 20 10 BECDMN Oc1cccc(Br)c1CNCCF ZINC000706808425 712156655 /nfs/dbraw/zinc/15/66/55/712156655.db2.gz NLLQLRHBKXBTNH-UHFFFAOYSA-N 0 1 248.095 2.214 20 10 BECDMN C[C@H](O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000160599035 711808995 /nfs/dbraw/zinc/80/89/95/711808995.db2.gz XMVSESJCQWSFSC-QMMMGPOBSA-N 0 1 243.734 2.295 20 10 BECDMN CO[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703530165 712078042 /nfs/dbraw/zinc/07/80/42/712078042.db2.gz MVKBKKLLAAGBAG-QMMMGPOBSA-N 0 1 245.269 2.137 20 10 BECDMN CO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000706532185 712149502 /nfs/dbraw/zinc/14/95/02/712149502.db2.gz LDXXQOWTPHATTK-KYZUINATSA-N 0 1 241.718 2.313 20 10 BECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001142512836 961466585 /nfs/dbraw/zinc/46/65/85/961466585.db2.gz MXDYMFBYTHQTPF-OCAPTIKFSA-N 0 1 225.238 2.122 20 10 BECDMN CSCC[N@@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233335878 978567715 /nfs/dbraw/zinc/56/77/15/978567715.db2.gz PLTXTXXKAFVMBY-UHFFFAOYSA-N 0 1 247.310 2.465 20 10 BECDMN C[N@@H+](Cc1c(F)ccc(F)c1[O-])C1CC1 ZINC001139683170 1169298889 /nfs/dbraw/zinc/29/88/89/1169298889.db2.gz ANUQYOBWYAGTDD-UHFFFAOYSA-N 0 1 213.227 2.265 20 10 BECDMN CCC[C@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001257309465 971201995 /nfs/dbraw/zinc/20/19/95/971201995.db2.gz UQSXVIQTXBOIJE-VIFPVBQESA-N 0 1 237.299 2.059 20 10 BECDMN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140461138 958486092 /nfs/dbraw/zinc/48/60/92/958486092.db2.gz FIJDVYCSXXNGLS-KCJUWKMLSA-N 0 1 241.718 2.001 20 10 BECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140461138 958486106 /nfs/dbraw/zinc/48/61/06/958486106.db2.gz FIJDVYCSXXNGLS-KCJUWKMLSA-N 0 1 241.718 2.001 20 10 BECDMN CN(Cc1c(O)cc(F)cc1F)CC(F)F ZINC001140585130 960443716 /nfs/dbraw/zinc/44/37/16/960443716.db2.gz UEHMXNNRDNUIKV-UHFFFAOYSA-N 0 1 237.196 2.367 20 10 BECDMN CN(Cc1cc(O)ccc1O)C1CC(F)(F)C1 ZINC001141156546 960893257 /nfs/dbraw/zinc/89/32/57/960893257.db2.gz ZPVFNGPRCNTTQD-UHFFFAOYSA-N 0 1 243.253 2.327 20 10 BECDMN Cc1cnc(NCc2ccc(N)cc2)c(N)c1 ZINC001162787574 965170908 /nfs/dbraw/zinc/17/09/08/965170908.db2.gz NMSUGEBOIRYFCH-UHFFFAOYSA-N 0 1 228.299 2.167 20 10 BECDMN Oc1ccc(CN2CCC[C@@H]3C[C@@H]32)cc1O ZINC001203878825 966804739 /nfs/dbraw/zinc/80/47/39/966804739.db2.gz DCNWXLXYFLOOIB-MNOVXSKESA-N 0 1 219.284 2.082 20 10 BECDMN Oc1ccc(CN2CCc3occc3C2)c(O)c1 ZINC001204279573 966960969 /nfs/dbraw/zinc/96/09/69/966960969.db2.gz BMRVFEZDQSKXKT-UHFFFAOYSA-N 0 1 245.278 2.249 20 10 BECDMN COc1cc(CN2CCCC23CC3)cc(O)c1O ZINC001204343492 966973612 /nfs/dbraw/zinc/97/36/12/966973612.db2.gz RTWYJNFAESHXLC-UHFFFAOYSA-N 0 1 249.310 2.235 20 10 BECDMN C[C@H](O)CC[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001204768996 967161157 /nfs/dbraw/zinc/16/11/57/967161157.db2.gz OZTYNBDQSCAKEN-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](O)CC[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001204768996 967161164 /nfs/dbraw/zinc/16/11/64/967161164.db2.gz OZTYNBDQSCAKEN-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](O)CC[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001204768996 967161181 /nfs/dbraw/zinc/16/11/81/967161181.db2.gz OZTYNBDQSCAKEN-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN COc1cnccc1N(C)c1ccc(N)cc1 ZINC001211266026 970217762 /nfs/dbraw/zinc/21/77/62/970217762.db2.gz XHQAFMYYAWDTHP-UHFFFAOYSA-N 0 1 229.283 2.440 20 10 BECDMN C[C@H]1CC[C@@H]([NH2+]CC(=O)c2ccc([O-])c(O)c2)C1 ZINC001170108777 970316326 /nfs/dbraw/zinc/31/63/26/970316326.db2.gz DZZBXNSXAQVGLG-GXSJLCMTSA-N 0 1 249.310 2.059 20 10 BECDMN Cc1cc(F)cc(Nc2ccncc2)c1O ZINC001173883623 975956884 /nfs/dbraw/zinc/95/68/84/975956884.db2.gz VGSHCXBMDOXXGB-UHFFFAOYSA-N 0 1 218.231 2.400 20 10 BECDMN C[C@@H]1CN(Cc2ccc(N)cc2)C[C@H](C2CC2)O1 ZINC001334775266 976639972 /nfs/dbraw/zinc/63/99/72/976639972.db2.gz UQUGFWUHAUNKLA-IAQYHMDHSA-N 0 1 246.354 2.268 20 10 BECDMN CC1(C)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231560745 977634332 /nfs/dbraw/zinc/63/43/32/977634332.db2.gz LIAQLQXDVPNDRE-UHFFFAOYSA-N 0 1 249.310 2.465 20 10 BECDMN Cc1cc(C)c(CN(C)C2(C)COC2)c(O)c1 ZINC001231845644 977762996 /nfs/dbraw/zinc/76/29/96/977762996.db2.gz DZHIXAQABVFAMA-UHFFFAOYSA-N 0 1 235.327 2.230 20 10 BECDMN Cc1cc(C)c(CN2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001231850217 977770472 /nfs/dbraw/zinc/77/04/72/977770472.db2.gz MHSLBKNRADVLIG-CHWSQXEVSA-N 0 1 247.338 2.372 20 10 BECDMN Oc1cccc2c1CN(Cc1ccns1)CC2 ZINC001232192608 977914756 /nfs/dbraw/zinc/91/47/56/977914756.db2.gz RBEUHXGAVZYRQW-UHFFFAOYSA-N 0 1 246.335 2.407 20 10 BECDMN CSCC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001233078883 978455019 /nfs/dbraw/zinc/45/50/19/978455019.db2.gz MSEMJNDVGFLFRU-UHFFFAOYSA-N 0 1 247.310 2.465 20 10 BECDMN Cn1ccc2c1ccnc2-c1ccc(N)nc1 ZINC001236308314 979511828 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C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745219 587973767 /nfs/dbraw/zinc/97/37/67/587973767.db2.gz OBBJSHYXIODPHX-SFYZADRCSA-N 0 1 229.707 2.077 20 10 BECDMN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841752569 587973826 /nfs/dbraw/zinc/97/38/26/587973826.db2.gz BNPVMFZVTHOOED-QNSHHTMESA-N 0 1 241.718 2.220 20 10 BECDMN C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000841891128 587981961 /nfs/dbraw/zinc/98/19/61/587981961.db2.gz JEIFEEWGLRJQGA-KLPPZKSPSA-N 0 1 241.718 2.049 20 10 BECDMN Cc1ccc(O)c(C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000848639713 588403388 /nfs/dbraw/zinc/40/33/88/588403388.db2.gz JYFAQUZEZOHHAB-UHFFFAOYSA-N 0 1 249.310 2.140 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000848902073 588418686 /nfs/dbraw/zinc/41/86/86/588418686.db2.gz JJWYVDBZCRCJIK-YPMHNXCESA-N 0 1 249.354 2.157 20 10 BECDMN Cc1ccc(O)c(CN[C@@H](C)c2nccn2C)c1 ZINC000850410437 588544586 /nfs/dbraw/zinc/54/45/86/588544586.db2.gz UFTKVQVOAQQMNS-NSHDSACASA-N 0 1 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BECDMN Cc1ccc(C[N@H+]2CCC[C@H](CO)CC2)c(O)c1 ZINC000877554714 590355996 /nfs/dbraw/zinc/35/59/96/590355996.db2.gz LUVLYGBETRWVIG-ZDUSSCGKSA-N 0 1 249.354 2.295 20 10 BECDMN Cc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC000877554671 590356543 /nfs/dbraw/zinc/35/65/43/590356543.db2.gz LLIYUOVNPFVFJW-CYBMUJFWSA-N 0 1 235.327 2.047 20 10 BECDMN CCOC1(C)CN(Cc2ccc(C)cc2O)C1 ZINC000877581660 590366062 /nfs/dbraw/zinc/36/60/62/590366062.db2.gz NGQHYHZIXRPSMJ-UHFFFAOYSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1cccc(O)c1CN(C)Cc1c[nH]cn1 ZINC000877620645 590375503 /nfs/dbraw/zinc/37/55/03/590375503.db2.gz VPWUISYEYJLJSH-UHFFFAOYSA-N 0 1 231.299 2.056 20 10 BECDMN Oc1cccc2c1C[N@@H+](CCC[C@@H]1CCO1)C2 ZINC000877702794 590396879 /nfs/dbraw/zinc/39/68/79/590396879.db2.gz HVJKTKSXVWNOGG-GFCCVEGCSA-N 0 1 233.311 2.277 20 10 BECDMN CCCN(CC(C)=O)Cc1ccccc1O ZINC000878151881 590506646 /nfs/dbraw/zinc/50/66/46/590506646.db2.gz RFWRJEUWRRVWGG-UHFFFAOYSA-N 0 1 221.300 2.193 20 10 BECDMN Cc1oncc1CN(C)Cc1ccccc1O ZINC000129063564 591226532 /nfs/dbraw/zinc/22/65/32/591226532.db2.gz FTYDUPQEHPHDFN-UHFFFAOYSA-N 0 1 232.283 2.321 20 10 BECDMN C[C@H](NCc1ccccc1O)c1cnccn1 ZINC000130431888 591467858 /nfs/dbraw/zinc/46/78/58/591467858.db2.gz RTBHBEVIYLZYTB-JTQLQIEISA-N 0 1 229.283 2.033 20 10 BECDMN C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000134247581 591906523 /nfs/dbraw/zinc/90/65/23/591906523.db2.gz JJUUGHCHVYSPTI-LDYMZIIASA-N 0 1 241.718 2.313 20 10 BECDMN C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000134247598 591906633 /nfs/dbraw/zinc/90/66/33/591906633.db2.gz JJUUGHCHVYSPTI-GZMMTYOYSA-N 0 1 241.718 2.313 20 10 BECDMN C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000134937830 591961875 /nfs/dbraw/zinc/96/18/75/591961875.db2.gz UANMTUBUNYAWPD-PSASIEDQSA-N 0 1 241.718 2.485 20 10 BECDMN C[C@H]([NH2+][C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000134937801 591962162 /nfs/dbraw/zinc/96/21/62/591962162.db2.gz UANMTUBUNYAWPD-WCBMZHEXSA-N 0 1 241.718 2.485 20 10 BECDMN C[C@@H](O)C[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000164559360 633079276 /nfs/dbraw/zinc/07/92/76/633079276.db2.gz JGYTWVXJDUFRLL-DTWKUNHWSA-N 0 1 243.734 2.295 20 10 BECDMN C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000164600131 633079773 /nfs/dbraw/zinc/07/97/73/633079773.db2.gz DFFDJEIAFWAPAS-RKDXNWHRSA-N 0 1 243.734 2.295 20 10 BECDMN C[C@@H](CF)NCc1ccc(N(C)C)c(F)c1 ZINC000309794954 633748927 /nfs/dbraw/zinc/74/89/27/633748927.db2.gz VDFGASZZHJFVPO-VIFPVBQESA-N 0 1 228.286 2.339 20 10 BECDMN CC[C@@H]([NH2+]C[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000309994477 634056904 /nfs/dbraw/zinc/05/69/04/634056904.db2.gz BTOPVBUPFFCCTG-LDYMZIIASA-N 0 1 243.734 2.467 20 10 BECDMN C[C@@H](NCc1ccno1)c1ccccc1O ZINC000223660785 635374488 /nfs/dbraw/zinc/37/44/88/635374488.db2.gz KGCIUVQZSANMAD-SECBINFHSA-N 0 1 218.256 2.231 20 10 BECDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC000128520313 637085004 /nfs/dbraw/zinc/08/50/04/637085004.db2.gz MFVBBFJZHCPSBN-CHWSQXEVSA-N 0 1 248.370 2.362 20 10 BECDMN Oc1ccccc1CNCc1cscn1 ZINC000082367491 643303783 /nfs/dbraw/zinc/30/37/83/643303783.db2.gz ZESIJOBHIHHUND-UHFFFAOYSA-N 0 1 220.297 2.139 20 10 BECDMN CC[C@@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000091980095 644644306 /nfs/dbraw/zinc/64/43/06/644644306.db2.gz BKKZVNQBPIXSFA-CQSZACIVSA-N 0 1 248.370 2.363 20 10 BECDMN COCCN(CCF)Cc1ccc(C)cc1O ZINC000877627079 645802458 /nfs/dbraw/zinc/80/24/58/645802458.db2.gz LULIJBZDURCQDO-UHFFFAOYSA-N 0 1 241.306 2.119 20 10 BECDMN Cc1ncc(CNCc2ccc(N(C)C)cc2)o1 ZINC000397908749 711395886 /nfs/dbraw/zinc/39/58/86/711395886.db2.gz BSILRVSXTPORCJ-UHFFFAOYSA-N 0 1 245.326 2.339 20 10 BECDMN COc1ccc2c(c1)CCCN2Cc1cnc[nH]1 ZINC000139544359 711657002 /nfs/dbraw/zinc/65/70/02/711657002.db2.gz ZAAUJHKHJPSXOW-UHFFFAOYSA-N 0 1 243.310 2.371 20 10 BECDMN Cc1c[nH]c(CN[C@@H](C)c2ccccc2O)n1 ZINC000703557219 712078675 /nfs/dbraw/zinc/07/86/75/712078675.db2.gz YGKLWFKXUVOHKP-JTQLQIEISA-N 0 1 231.299 2.275 20 10 BECDMN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000706532320 712149373 /nfs/dbraw/zinc/14/93/73/712149373.db2.gz ORYNSSQQNJOTGE-XYPYZODXSA-N 0 1 241.718 2.313 20 10 BECDMN CC[N@@H+](CCOC)Cc1cc(F)cc(F)c1[O-] ZINC000708411915 712193421 /nfs/dbraw/zinc/19/34/21/712193421.db2.gz DILXHYXYMARTAG-UHFFFAOYSA-N 0 1 245.269 2.139 20 10 BECDMN Oc1ccccc1CNCc1nccn1C1CC1 ZINC000711725195 712322633 /nfs/dbraw/zinc/32/26/33/712322633.db2.gz GQIJOJCLPJKZLA-UHFFFAOYSA-N 0 1 243.310 2.213 20 10 BECDMN CN(Cc1cc(F)cc(F)c1O)CC(F)F ZINC000708402122 1166401731 /nfs/dbraw/zinc/40/17/31/1166401731.db2.gz UZEQVCKHQKHQJM-UHFFFAOYSA-N 0 1 237.196 2.367 20 10 BECDMN Oc1cccc(F)c1Nc1ccncc1 ZINC001173882861 975946100 /nfs/dbraw/zinc/94/61/00/975946100.db2.gz YHLIQMVFSPIAPN-UHFFFAOYSA-N 0 1 204.204 2.092 20 10 BECDMN CC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231450514 977589392 /nfs/dbraw/zinc/58/93/92/977589392.db2.gz SNELXEVTUVVBBK-VIFPVBQESA-N 0 1 237.299 2.321 20 10 BECDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C(C)(C)C ZINC001231563028 977636462 /nfs/dbraw/zinc/63/64/62/977636462.db2.gz DEPFFARRNQJOAU-UHFFFAOYSA-N 0 1 237.299 2.321 20 10 BECDMN C[NH+](C)Cc1c([O-])ccc(F)c1Cl ZINC001237120071 979821589 /nfs/dbraw/zinc/82/15/89/979821589.db2.gz ILLGDPMQXYIHOF-UHFFFAOYSA-N 0 1 203.644 2.246 20 10 BECDMN C[C@H]([NH2+]CCCC(=O)[O-])c1c(O)cccc1F ZINC001589128110 982628161 /nfs/dbraw/zinc/62/81/61/982628161.db2.gz KIGWHNCNRDUGDH-QMMMGPOBSA-N 0 1 241.262 2.047 20 10 BECDMN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CO1 ZINC000402241375 970776151 /nfs/dbraw/zinc/77/61/51/970776151.db2.gz YBWZPHJCTHZASL-RKDXNWHRSA-N 0 1 241.718 2.313 20 10 BECDMN Cc1ccc(C)c(CN(C2CC2)C2COC2)c1O ZINC001140182329 957722446 /nfs/dbraw/zinc/72/24/46/957722446.db2.gz PAGFYNHECAXSAO-UHFFFAOYSA-N 0 1 247.338 2.372 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1 ZINC000086791611 957989801 /nfs/dbraw/zinc/98/98/01/957989801.db2.gz UIPIMNAATPJDDV-GFCCVEGCSA-N 0 1 249.310 2.140 20 10 BECDMN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140461140 958480983 /nfs/dbraw/zinc/48/09/83/958480983.db2.gz FIJDVYCSXXNGLS-LDYMZIIASA-N 0 1 241.718 2.001 20 10 BECDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140461140 958480995 /nfs/dbraw/zinc/48/09/95/958480995.db2.gz FIJDVYCSXXNGLS-LDYMZIIASA-N 0 1 241.718 2.001 20 10 BECDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])CC1COC1 ZINC001140465650 958518499 /nfs/dbraw/zinc/51/84/99/958518499.db2.gz PSEYVJSDDMSYAR-UHFFFAOYSA-N 0 1 241.718 2.124 20 10 BECDMN C[N@H+](Cc1ccc(Cl)cc1[O-])CC1COC1 ZINC001140465650 958518514 /nfs/dbraw/zinc/51/85/14/958518514.db2.gz PSEYVJSDDMSYAR-UHFFFAOYSA-N 0 1 241.718 2.124 20 10 BECDMN Cc1ccc(O)c(CN(C)Cc2ccno2)c1 ZINC001140623807 960467554 /nfs/dbraw/zinc/46/75/54/960467554.db2.gz SIMYQBFFWAOHDV-UHFFFAOYSA-N 0 1 232.283 2.321 20 10 BECDMN Cc1ccc(CN2CCCC(=O)CC2)c(O)c1 ZINC001140952031 960757198 /nfs/dbraw/zinc/75/71/98/960757198.db2.gz CBFBRITZQXPOCE-UHFFFAOYSA-N 0 1 233.311 2.256 20 10 BECDMN C[C@@H]1C[C@@H](F)CN1Cc1cc(O)ccc1O ZINC001141156074 960890239 /nfs/dbraw/zinc/89/02/39/960890239.db2.gz DTPQJVNMAWUJSD-PSASIEDQSA-N 0 1 225.263 2.030 20 10 BECDMN COCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840871434 961220223 /nfs/dbraw/zinc/22/02/23/961220223.db2.gz CNAQUGQHRUMKHJ-UHFFFAOYSA-N 0 1 243.734 2.480 20 10 BECDMN CC[N@@H+](CCOC)Cc1cc(F)c(F)cc1[O-] ZINC001142501893 961460114 /nfs/dbraw/zinc/46/01/14/961460114.db2.gz FIIRHMYAAMAHEB-UHFFFAOYSA-N 0 1 245.269 2.139 20 10 BECDMN CSCC[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142530969 961480493 /nfs/dbraw/zinc/48/04/93/961480493.db2.gz MWGRDWWVVPWSHH-UHFFFAOYSA-N 0 1 247.310 2.465 20 10 BECDMN CC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203556129 966691631 /nfs/dbraw/zinc/69/16/31/966691631.db2.gz KMGHLAGWEFMANN-LBPRGKRZSA-N 0 1 233.311 2.193 20 10 BECDMN COc1ccc(CN2C[C@H](F)C[C@H]2C)c(O)c1 ZINC001203621318 966708889 /nfs/dbraw/zinc/70/88/89/966708889.db2.gz SZMHHCCHOKYUQV-MWLCHTKSSA-N 0 1 239.290 2.333 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH+]1CC=CC1 ZINC001203651461 966722377 /nfs/dbraw/zinc/72/23/77/966722377.db2.gz PHYRMLAFYDFJHC-UHFFFAOYSA-N 0 1 209.676 2.417 20 10 BECDMN CN(C)c1ccc(CN2CCOC3(CC3)C2)cc1 ZINC001203937139 966824801 /nfs/dbraw/zinc/82/48/01/966824801.db2.gz MJASMFWVHFQXPP-UHFFFAOYSA-N 0 1 246.354 2.117 20 10 BECDMN CN(Cc1cccnc1)Cc1ccc(O)cc1O ZINC001204273127 966956041 /nfs/dbraw/zinc/95/60/41/966956041.db2.gz ZBRJIWCEDKHJEU-UHFFFAOYSA-N 0 1 244.294 2.125 20 10 BECDMN C[C@@H](O)CC[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001204768994 967159342 /nfs/dbraw/zinc/15/93/42/967159342.db2.gz OZTYNBDQSCAKEN-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](O)CC[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001204768994 967159349 /nfs/dbraw/zinc/15/93/49/967159349.db2.gz OZTYNBDQSCAKEN-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](O)CC[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001204768994 967159355 /nfs/dbraw/zinc/15/93/55/967159355.db2.gz OZTYNBDQSCAKEN-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN CCN(Cc1cnoc1)Cc1ccccc1O ZINC001205724727 967801885 /nfs/dbraw/zinc/80/18/85/967801885.db2.gz XZSQESFWROGEDW-UHFFFAOYSA-N 0 1 232.283 2.402 20 10 BECDMN COc1cnccc1Nc1cc(F)ccc1O ZINC001211260232 970202370 /nfs/dbraw/zinc/20/23/70/970202370.db2.gz JSEVVOKGGTVCAR-UHFFFAOYSA-N 0 1 234.230 2.100 20 10 BECDMN C[C@@H]1CC[C@H]([NH2+]CC(=O)c2ccc([O-])c(O)c2)C1 ZINC001170108778 970315580 /nfs/dbraw/zinc/31/55/80/970315580.db2.gz DZZBXNSXAQVGLG-KOLCDFICSA-N 0 1 249.310 2.059 20 10 BECDMN Cc1cccc(Nc2ccncc2)c1O ZINC001173882160 975929962 /nfs/dbraw/zinc/92/99/62/975929962.db2.gz BEQAUSNEFPEYQC-UHFFFAOYSA-N 0 1 200.241 2.261 20 10 BECDMN Cc1ccc(O)c(Nc2ccncc2)c1 ZINC001173883449 975956052 /nfs/dbraw/zinc/95/60/52/975956052.db2.gz PSBBFBJWOMFEHY-UHFFFAOYSA-N 0 1 200.241 2.261 20 10 BECDMN CC(=O)c1cccc(Nc2ccncc2)c1O ZINC001173883497 975958101 /nfs/dbraw/zinc/95/81/01/975958101.db2.gz QRLOTRCIXGSKGN-UHFFFAOYSA-N 0 1 228.251 2.155 20 10 BECDMN CC1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231452415 977592949 /nfs/dbraw/zinc/59/29/49/977592949.db2.gz OTQMBZQIZZYFGW-UHFFFAOYSA-N 0 1 249.310 2.322 20 10 BECDMN C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231561997 977638118 /nfs/dbraw/zinc/63/81/18/977638118.db2.gz YPTKKGJIBRPGMP-SNVBAGLBSA-N 0 1 249.310 2.322 20 10 BECDMN CCOC1CN(Cc2c(C)cc(C)cc2O)C1 ZINC001231843400 977759399 /nfs/dbraw/zinc/75/93/99/977759399.db2.gz YAIAZAYZAHJAKY-UHFFFAOYSA-N 0 1 235.327 2.230 20 10 BECDMN Nc1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176004454 977859748 /nfs/dbraw/zinc/85/97/48/977859748.db2.gz NILBZCSBYFVKFN-UHFFFAOYSA-N 0 1 225.255 2.284 20 10 BECDMN Nc1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176004454 977859751 /nfs/dbraw/zinc/85/97/51/977859751.db2.gz NILBZCSBYFVKFN-UHFFFAOYSA-N 0 1 225.255 2.284 20 10 BECDMN C[C@@H]1CCCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233009485 978409452 /nfs/dbraw/zinc/40/94/52/978409452.db2.gz XITUSHLKEIIVSH-SECBINFHSA-N 0 1 237.299 2.178 20 10 BECDMN Oc1cc(CN2CCCCC23CC3)cc(O)c1O ZINC001233017457 978411295 /nfs/dbraw/zinc/41/12/95/978411295.db2.gz WLXGTIBSLGZCFM-UHFFFAOYSA-N 0 1 249.310 2.322 20 10 BECDMN Oc1cc(CN2CCC3(CC3)CC2)cc(O)c1O ZINC001233014664 978416049 /nfs/dbraw/zinc/41/60/49/978416049.db2.gz XAEGEONHAQADFQ-UHFFFAOYSA-N 0 1 249.310 2.179 20 10 BECDMN COc1cc(O)c(CN2CCC2)c(Cl)c1 ZINC001236803663 979739698 /nfs/dbraw/zinc/73/96/98/979739698.db2.gz NTAHTMMJLMZIFX-UHFFFAOYSA-N 0 1 227.691 2.260 20 10 BECDMN CC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC001237489558 979908296 /nfs/dbraw/zinc/90/82/96/979908296.db2.gz BXFXUWFMFKGQLA-GFCCVEGCSA-N 0 1 233.311 2.112 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1CCCC[C@@H]1CO ZINC001237482153 979911377 /nfs/dbraw/zinc/91/13/77/979911377.db2.gz JXTXQLITBOTZHM-GFCCVEGCSA-N 0 1 235.327 2.047 20 10 BECDMN Oc1c(CN2CC(F)(F)C2)ccc(F)c1F ZINC001184418578 980079893 /nfs/dbraw/zinc/07/98/93/980079893.db2.gz PYUAJKLUUSHJHY-UHFFFAOYSA-N 0 1 235.180 2.121 20 10 BECDMN O=c1ccc(CN2Cc3cccc(O)c3C2)c[nH]1 ZINC001462520714 986414543 /nfs/dbraw/zinc/41/45/43/986414543.db2.gz MNGPBMMRKLXICK-UHFFFAOYSA-N 0 1 242.278 2.009 20 10 BECDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137831976 990855138 /nfs/dbraw/zinc/85/51/38/990855138.db2.gz VNMRASBARCYJQC-JTQLQIEISA-N 0 1 239.290 2.142 20 10 BECDMN CCC[N@@H+](CCOC)Cc1cccc(F)c1[O-] ZINC001138122493 990883649 /nfs/dbraw/zinc/88/36/49/990883649.db2.gz JCJMDJRYDQCONN-UHFFFAOYSA-N 0 1 241.306 2.390 20 10 BECDMN C[C@H](CC1CC1)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001258454154 991405794 /nfs/dbraw/zinc/40/57/94/991405794.db2.gz FNTOTSZHNJXYHE-SECBINFHSA-N 0 1 249.310 2.059 20 10 BECDMN C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1F ZINC001140057715 991510801 /nfs/dbraw/zinc/51/08/01/991510801.db2.gz LBWNNQDNCXTSNO-KCJUWKMLSA-N 0 1 227.254 2.321 20 10 BECDMN Cc1ccc(C)c(CN2CCOC[C@H]2C)c1O ZINC001140178509 991550533 /nfs/dbraw/zinc/55/05/33/991550533.db2.gz NDCFIRHVGRZKBA-GFCCVEGCSA-N 0 1 235.327 2.230 20 10 BECDMN C[N@H+](CCCCO)Cc1ccc(Cl)cc1[O-] ZINC001560759943 991587732 /nfs/dbraw/zinc/58/77/32/991587732.db2.gz QYBJTDAKRVGGEE-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN C[N@@H+](CCCCO)Cc1ccc(Cl)cc1[O-] ZINC001560759943 991587743 /nfs/dbraw/zinc/58/77/43/991587743.db2.gz QYBJTDAKRVGGEE-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC001140460988 991643522 /nfs/dbraw/zinc/64/35/22/991643522.db2.gz AJPAJJOHOFKPMM-LLVKDONJSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001140460988 991643523 /nfs/dbraw/zinc/64/35/23/991643523.db2.gz AJPAJJOHOFKPMM-LLVKDONJSA-N 0 1 241.718 2.002 20 10 BECDMN COCC[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140461000 991644553 /nfs/dbraw/zinc/64/45/53/991644553.db2.gz AUVYJZRHVJZJDM-UHFFFAOYSA-N 0 1 229.707 2.124 20 10 BECDMN COCC[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140461000 991644557 /nfs/dbraw/zinc/64/45/57/991644557.db2.gz AUVYJZRHVJZJDM-UHFFFAOYSA-N 0 1 229.707 2.124 20 10 BECDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC=CCC1 ZINC001621200515 1170742857 /nfs/dbraw/zinc/74/28/57/1170742857.db2.gz MEXFHNSXJGLDJL-UHFFFAOYSA-N 0 1 225.238 2.432 20 10 BECDMN CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001621449910 1170812599 /nfs/dbraw/zinc/81/25/99/1170812599.db2.gz FSQWCPCCNMOTCX-NEPJUHHUSA-N 0 1 241.718 2.313 20 10 BECDMN [O-]c1cc(Cl)ccc1C[NH2+]CC1CSC1 ZINC001621471058 1170819794 /nfs/dbraw/zinc/81/97/94/1170819794.db2.gz RMDYPWNLBLTSGG-UHFFFAOYSA-N 0 1 243.759 2.498 20 10 BECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](CF)C1 ZINC001621496700 1170828356 /nfs/dbraw/zinc/82/83/56/1170828356.db2.gz QCJSJZZQIDLZDT-MRVPVSSYSA-N 0 1 245.244 2.462 20 10 BECDMN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CO)c1O ZINC000289467618 178063433 /nfs/dbraw/zinc/06/34/33/178063433.db2.gz PBTQUISPFWMFSO-VIFPVBQESA-N 0 1 243.734 2.167 20 10 BECDMN Cc1cc(Cl)cc(C[N@H+](C)C[C@H](C)O)c1O ZINC000130690814 178064123 /nfs/dbraw/zinc/06/41/23/178064123.db2.gz XPAWTJZMRODCBE-VIFPVBQESA-N 0 1 243.734 2.167 20 10 BECDMN Cc1cc(O)c(C[N@@H+]2CCOC[C@@H](C)C2)cc1C ZINC000372230879 178195375 /nfs/dbraw/zinc/19/53/75/178195375.db2.gz HSZUFOCPQLZJRF-NSHDSACASA-N 0 1 249.354 2.477 20 10 BECDMN Cc1cc(O)c(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1C ZINC000289706376 178195685 /nfs/dbraw/zinc/19/56/85/178195685.db2.gz OTOFVAYDZKIEOM-ZIAGYGMSSA-N 0 1 249.354 2.354 20 10 BECDMN CC(C)[N@@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000132484811 191103083 /nfs/dbraw/zinc/10/30/83/191103083.db2.gz AKACCQVKBFHPJP-UHFFFAOYSA-N 0 1 243.734 2.248 20 10 BECDMN Oc1ccc(F)cc1CN1CCC[C@H]1CF ZINC000293961245 183274643 /nfs/dbraw/zinc/27/46/43/183274643.db2.gz JNDQOEBQRCQMTC-NSHDSACASA-N 0 1 227.254 2.465 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+]CCF ZINC000280848129 183292829 /nfs/dbraw/zinc/29/28/29/183292829.db2.gz ZFPXKRPBCLCEGI-UHFFFAOYSA-N 0 1 203.644 2.105 20 10 BECDMN CC[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000132507919 384234912 /nfs/dbraw/zinc/23/49/12/384234912.db2.gz ZRVPLZLDIHUDNI-LBPRGKRZSA-N 0 1 221.300 2.003 20 10 BECDMN C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618462 384305997 /nfs/dbraw/zinc/30/59/97/384305997.db2.gz WSNYXCBCLVAULI-UWVGGRQHSA-N 0 1 241.306 2.200 20 10 BECDMN C[C@H](CO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134914603 384398698 /nfs/dbraw/zinc/39/86/98/384398698.db2.gz NPRHPLDBZJBAME-IUCAKERBSA-N 0 1 243.734 2.325 20 10 BECDMN C[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134921119 384399801 /nfs/dbraw/zinc/39/98/01/384399801.db2.gz WJHNIIDFZPNJHZ-IUCAKERBSA-N 0 1 243.734 2.467 20 10 BECDMN CCC[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000179577244 385476277 /nfs/dbraw/zinc/47/62/77/385476277.db2.gz DRSIGUHCTOYEFJ-CYBMUJFWSA-N 0 1 235.327 2.393 20 10 BECDMN CN(C)c1ccc(CN(C)CCF)cc1 ZINC000269501309 385599398 /nfs/dbraw/zinc/59/93/98/385599398.db2.gz NBXONGWVRFMBKW-UHFFFAOYSA-N 0 1 210.296 2.154 20 10 BECDMN CO[C@H]1CC[N@@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000282171350 385738627 /nfs/dbraw/zinc/73/86/27/385738627.db2.gz FAPHZQFJWLIAIS-AAEUAGOBSA-N 0 1 235.327 2.392 20 10 BECDMN CO[C@@H]1CC[N@@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000282171364 385739431 /nfs/dbraw/zinc/73/94/31/385739431.db2.gz FAPHZQFJWLIAIS-DGCLKSJQSA-N 0 1 235.327 2.392 20 10 BECDMN Cc1cc(CN(C)Cc2ccccc2O)ncn1 ZINC000293253448 386794051 /nfs/dbraw/zinc/79/40/51/386794051.db2.gz ROVHFZIHRVUCEW-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN CCOc1ccc(O)c(CN(C)CCF)c1 ZINC000293678821 398117238 /nfs/dbraw/zinc/11/72/38/398117238.db2.gz PNOLGVIWIAZFPH-UHFFFAOYSA-N 0 1 227.279 2.192 20 10 BECDMN COCC(C)(C)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000292791460 174080178 /nfs/dbraw/zinc/08/01/78/174080178.db2.gz MLPSFPLMSIFUGW-UHFFFAOYSA-N 0 1 241.306 2.388 20 10 BECDMN COc1ccc(CN[C@H](C)CF)cc1C ZINC000288474888 175111390 /nfs/dbraw/zinc/11/13/90/175111390.db2.gz PGCAEBNFXSLXSU-SNVBAGLBSA-N 0 1 211.280 2.451 20 10 BECDMN CC[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H](C)O ZINC001652462815 1173088174 /nfs/dbraw/zinc/08/81/74/1173088174.db2.gz IOEFZCWSSDESIY-KWQFWETISA-N 0 1 243.734 2.295 20 10 BECDMN COc1ccc(CN2CC3(CC3)C2)c(O)c1OC ZINC000894663534 583502147 /nfs/dbraw/zinc/50/21/47/583502147.db2.gz LGDWMGDCRDTXTA-UHFFFAOYSA-N 0 1 249.310 2.005 20 10 BECDMN C[C@@H](NC(=O)C(F)(F)F)c1ccccc1O ZINC000864493074 584011022 /nfs/dbraw/zinc/01/10/22/584011022.db2.gz VJDFSFCRJIBOBL-ZCFIWIBFSA-N 0 1 233.189 2.132 20 10 BECDMN CC(C)[C@@H](N)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841031034 584028902 /nfs/dbraw/zinc/02/89/02/584028902.db2.gz RFNIMYJBRASXKU-NSHDSACASA-N 0 1 242.750 2.119 20 10 BECDMN C[C@@H](NCc1csc(N)n1)c1ccccc1O ZINC000902492328 584618856 /nfs/dbraw/zinc/61/88/56/584618856.db2.gz XVGUSNAVCXVBQO-MRVPVSSYSA-N 0 1 249.339 2.282 20 10 BECDMN CCn1cnc(CN[C@@H](C)c2ccccc2O)c1 ZINC000902642860 584645342 /nfs/dbraw/zinc/64/53/42/584645342.db2.gz JSKRKIIBVGYARK-NSHDSACASA-N 0 1 245.326 2.459 20 10 BECDMN Cc1ccc([C@H](C)NCc2cn(C)cn2)c(O)c1 ZINC000903352557 584755726 /nfs/dbraw/zinc/75/57/26/584755726.db2.gz VECFZIBMRTZDGW-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN Cc1ccc(CN2CCOCC2(C)C)c(O)c1 ZINC000876633984 584886536 /nfs/dbraw/zinc/88/65/36/584886536.db2.gz ZGEZZSTXZMMLKO-UHFFFAOYSA-N 0 1 235.327 2.311 20 10 BECDMN COC1CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000839131557 585093706 /nfs/dbraw/zinc/09/37/06/585093706.db2.gz VZALRNLFJBABFK-UHFFFAOYSA-N 0 1 245.681 2.015 20 10 BECDMN Cc1cccc(CN[C@H](C)c2ccn(C)n2)c1O ZINC000839190693 585097446 /nfs/dbraw/zinc/09/74/46/585097446.db2.gz JPRBBFQPAAODRD-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN COCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647842 585682279 /nfs/dbraw/zinc/68/22/79/585682279.db2.gz CVKFXEBEWHCHMW-UHFFFAOYSA-N 0 1 247.697 2.263 20 10 BECDMN CN(Cc1ccc[nH]1)Cc1cc(F)ccc1O ZINC000779032480 585744223 /nfs/dbraw/zinc/74/42/23/585744223.db2.gz JLDZUNUPXVPLJB-UHFFFAOYSA-N 0 1 234.274 2.491 20 10 BECDMN C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000788268501 585920412 /nfs/dbraw/zinc/92/04/12/585920412.db2.gz DVSFCMQEYSFKQB-GZMMTYOYSA-N 0 1 241.718 2.001 20 10 BECDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000788268501 585920413 /nfs/dbraw/zinc/92/04/13/585920413.db2.gz DVSFCMQEYSFKQB-GZMMTYOYSA-N 0 1 241.718 2.001 20 10 BECDMN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000816646813 586749233 /nfs/dbraw/zinc/74/92/33/586749233.db2.gz JHYPPZRXJGRMRM-DTWKUNHWSA-N 0 1 209.264 2.372 20 10 BECDMN CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)CO ZINC000816653844 586752999 /nfs/dbraw/zinc/75/29/99/586752999.db2.gz KOADDICHNSSYTN-LBPRGKRZSA-N 0 1 237.343 2.212 20 10 BECDMN CC[C@@H]([NH2+]C[C@H](C)N)c1cccc(Cl)c1[O-] ZINC000817973814 586860813 /nfs/dbraw/zinc/86/08/13/586860813.db2.gz WWAXPNMUEIRXSN-GZMMTYOYSA-N 0 1 242.750 2.434 20 10 BECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC2)c(Cl)c1 ZINC000818237314 586881333 /nfs/dbraw/zinc/88/13/33/586881333.db2.gz YRFVFSNEATXPHI-SECBINFHSA-N 0 1 241.718 2.233 20 10 BECDMN Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1O ZINC000821112403 587096679 /nfs/dbraw/zinc/09/66/79/587096679.db2.gz YMYUZZWBOQEKTR-GFCCVEGCSA-N 0 1 249.310 2.140 20 10 BECDMN CC[N@H+](CCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000824491091 587271821 /nfs/dbraw/zinc/27/18/21/587271821.db2.gz MBMMWFMGLZMSQO-UHFFFAOYSA-N 0 1 243.734 2.168 20 10 BECDMN CC[N@@H+](CCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000824491091 587271822 /nfs/dbraw/zinc/27/18/22/587271822.db2.gz MBMMWFMGLZMSQO-UHFFFAOYSA-N 0 1 243.734 2.168 20 10 BECDMN CC[C@@H](CO)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000824534066 587274500 /nfs/dbraw/zinc/27/45/00/587274500.db2.gz ZKYYPODDANCATM-JTQLQIEISA-N 0 1 243.734 2.248 20 10 BECDMN [O-]c1c(Cl)cccc1C[NH2+]C(CF)CF ZINC000824554259 587276022 /nfs/dbraw/zinc/27/60/22/587276022.db2.gz DFHANRPEJZPJSH-UHFFFAOYSA-N 0 1 235.661 2.443 20 10 BECDMN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000827700827 587397429 /nfs/dbraw/zinc/39/74/29/587397429.db2.gz XVHNHIJEPBEHMI-IUODEOHRSA-N 0 1 249.354 2.151 20 10 BECDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1(CO)CC1 ZINC000827904301 587409169 /nfs/dbraw/zinc/40/91/69/587409169.db2.gz ZUIJVHGGFINTOB-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1(CO)CC1 ZINC000827904301 587409171 /nfs/dbraw/zinc/40/91/71/587409171.db2.gz ZUIJVHGGFINTOB-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CCCCO)c(Cl)c1 ZINC000840941128 587930643 /nfs/dbraw/zinc/93/06/43/587930643.db2.gz SPKOQMAHRHRWJJ-UHFFFAOYSA-N 0 1 243.734 2.216 20 10 BECDMN C[C@@H](N)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841076592 587944030 /nfs/dbraw/zinc/94/40/30/587944030.db2.gz JORFGIJWBWDGDR-RNFRBKRXSA-N 0 1 246.713 2.010 20 10 BECDMN C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841752293 587973971 /nfs/dbraw/zinc/97/39/71/587973971.db2.gz SFVPVKIMUQBYDY-SCZZXKLOSA-N 0 1 241.718 2.485 20 10 BECDMN C[C@@H]([NH2+]C/C=C/CO)c1cc(Cl)ccc1[O-] ZINC000850507196 588553184 /nfs/dbraw/zinc/55/31/84/588553184.db2.gz DTPBJBXDRVWNNL-GKQMSVHHSA-N 0 1 241.718 2.245 20 10 BECDMN CC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000850527874 588557454 /nfs/dbraw/zinc/55/74/54/588557454.db2.gz CMZJOEXBQZCFHV-PSASIEDQSA-N 0 1 243.734 2.467 20 10 BECDMN Oc1ccccc1CNCc1cn(C2CC2)cn1 ZINC000865441140 589435852 /nfs/dbraw/zinc/43/58/52/589435852.db2.gz BULLLMPTBCYYKK-UHFFFAOYSA-N 0 1 243.310 2.213 20 10 BECDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](C)CO ZINC000121093786 589498404 /nfs/dbraw/zinc/49/84/04/589498404.db2.gz KRZWXTYFTPUQPZ-LBPRGKRZSA-N 0 1 237.343 2.233 20 10 BECDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H](C)CO ZINC000121093786 589498408 /nfs/dbraw/zinc/49/84/08/589498408.db2.gz KRZWXTYFTPUQPZ-LBPRGKRZSA-N 0 1 237.343 2.233 20 10 BECDMN CC(C)[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000123927978 589862052 /nfs/dbraw/zinc/86/20/52/589862052.db2.gz HJGJEGNMXFPNAQ-GFCCVEGCSA-N 0 1 243.734 2.152 20 10 BECDMN CN(Cc1ccns1)Cc1ccccc1O ZINC000876615367 590222245 /nfs/dbraw/zinc/22/22/45/590222245.db2.gz CCPRBVOXIRVDLI-UHFFFAOYSA-N 0 1 234.324 2.481 20 10 BECDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)cc2O)C1 ZINC000877516293 590346219 /nfs/dbraw/zinc/34/62/19/590346219.db2.gz YVVNQVZLEGMMSQ-BETUJISGSA-N 0 1 235.327 2.310 20 10 BECDMN Cc1ncc(CNCc2c(C)cccc2O)o1 ZINC000877585989 590367742 /nfs/dbraw/zinc/36/77/42/590367742.db2.gz ZBMOLJIGKCYSGC-UHFFFAOYSA-N 0 1 232.283 2.287 20 10 BECDMN Cc1ccc(CN[C@@H](C)c2ccn(C)n2)c(O)c1 ZINC000877585139 590368329 /nfs/dbraw/zinc/36/83/29/590368329.db2.gz ANODIZWAWLCWQV-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN C[C@@H](CN(C)C)[NH2+]Cc1c([O-])cccc1Cl ZINC000130242529 591450190 /nfs/dbraw/zinc/45/01/90/591450190.db2.gz KZCLUEHSMKGDEQ-VIFPVBQESA-N 0 1 242.750 2.085 20 10 BECDMN CC[NH+]1CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC000131566376 591623038 /nfs/dbraw/zinc/62/30/38/591623038.db2.gz LCCQNLHOMFGKHA-UHFFFAOYSA-N 0 1 248.370 2.308 20 10 BECDMN CC[NH+]1CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC000131566376 591623041 /nfs/dbraw/zinc/62/30/41/591623041.db2.gz LCCQNLHOMFGKHA-UHFFFAOYSA-N 0 1 248.370 2.308 20 10 BECDMN CC[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000132633272 591726071 /nfs/dbraw/zinc/72/60/71/591726071.db2.gz FSWAUCNJTAHJTI-GFCCVEGCSA-N 0 1 221.300 2.003 20 10 BECDMN CC[C@@H]([NH2+]C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000309994472 632692061 /nfs/dbraw/zinc/69/20/61/632692061.db2.gz BTOPVBUPFFCCTG-GZMMTYOYSA-N 0 1 243.734 2.467 20 10 BECDMN Cc1ccc(O)c(CNCc2cscn2)c1 ZINC000066737975 633175136 /nfs/dbraw/zinc/17/51/36/633175136.db2.gz FPGODIUWESNSQL-UHFFFAOYSA-N 0 1 234.324 2.447 20 10 BECDMN C[C@@H](O)C[C@@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000164559483 640488497 /nfs/dbraw/zinc/48/84/97/640488497.db2.gz JGYTWVXJDUFRLL-RKDXNWHRSA-N 0 1 243.734 2.295 20 10 BECDMN C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000164600390 640493237 /nfs/dbraw/zinc/49/32/37/640493237.db2.gz DFFDJEIAFWAPAS-BDAKNGLRSA-N 0 1 243.734 2.295 20 10 BECDMN CC[C@H](NCc1cc[nH]n1)c1ccccc1O ZINC000041014256 641538820 /nfs/dbraw/zinc/53/88/20/641538820.db2.gz CDPFKHKNECEXJG-LBPRGKRZSA-N 0 1 231.299 2.356 20 10 BECDMN Cc1cn[nH]c1CSc1nccs1 ZINC000916759891 641975976 /nfs/dbraw/zinc/97/59/76/641975976.db2.gz VMCPSZGSOQPNPJ-UHFFFAOYSA-N 0 1 211.315 2.467 20 10 BECDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC000253358178 642639592 /nfs/dbraw/zinc/63/95/92/642639592.db2.gz MFVBBFJZHCPSBN-QWHCGFSZSA-N 0 1 248.370 2.362 20 10 BECDMN Cc1ccc(O)c([C@@H](C)NCc2cc[nH]n2)c1 ZINC000041015012 643492566 /nfs/dbraw/zinc/49/25/66/643492566.db2.gz FIWAYRATFFTSKA-SNVBAGLBSA-N 0 1 231.299 2.275 20 10 BECDMN CC(C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000086120612 643918280 /nfs/dbraw/zinc/91/82/80/643918280.db2.gz OOYGNWFPQMBQEB-LLVKDONJSA-N 0 1 243.734 2.152 20 10 BECDMN C[C@H](NCc1cc[nH]n1)c1cc(F)ccc1O ZINC000094617841 644720392 /nfs/dbraw/zinc/72/03/92/644720392.db2.gz AOWXLUSKKIUOIJ-QMMMGPOBSA-N 0 1 235.262 2.105 20 10 BECDMN COc1cc(C)cc(CN2CC[C@@H](F)C2)c1O ZINC000840104036 644865870 /nfs/dbraw/zinc/86/58/70/644865870.db2.gz GGESHDIQOMJESC-LLVKDONJSA-N 0 1 239.290 2.253 20 10 BECDMN COCCC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703517577 712078025 /nfs/dbraw/zinc/07/80/25/712078025.db2.gz MJVYKELDGUUQDQ-UHFFFAOYSA-N 0 1 245.269 2.139 20 10 BECDMN COCCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708415605 712194320 /nfs/dbraw/zinc/19/43/20/712194320.db2.gz ZRZTVROLVYUBRD-UHFFFAOYSA-N 0 1 245.269 2.139 20 10 BECDMN N#Cc1csc(CNCc2ccccc2O)n1 ZINC000386132456 711023195 /nfs/dbraw/zinc/02/31/95/711023195.db2.gz OSWVLRIJKKGYLH-UHFFFAOYSA-N 0 1 245.307 2.010 20 10 BECDMN CC(C)(O)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000390477749 711120793 /nfs/dbraw/zinc/12/07/93/711120793.db2.gz JUTXBOUGMYTMMB-UHFFFAOYSA-N 0 1 243.734 2.296 20 10 BECDMN C[C@H]1C[C@@H](NCc2ccccc2O)c2nccn21 ZINC000393318280 711157474 /nfs/dbraw/zinc/15/74/74/711157474.db2.gz CYAVOGIXFNBFCP-CMPLNLGQSA-N 0 1 243.310 2.384 20 10 BECDMN [O-]c1c(C[N@@H+]2CC[C@@H](F)C2)ccc(F)c1F ZINC000703448654 712076016 /nfs/dbraw/zinc/07/60/16/712076016.db2.gz UNCXIHREAUICPM-MRVPVSSYSA-N 0 1 231.217 2.214 20 10 BECDMN [O-]c1c(C[N@H+]2CC[C@@H](F)C2)ccc(F)c1F ZINC000703448654 712076017 /nfs/dbraw/zinc/07/60/17/712076017.db2.gz UNCXIHREAUICPM-MRVPVSSYSA-N 0 1 231.217 2.214 20 10 BECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1[O-] ZINC000707054670 712164336 /nfs/dbraw/zinc/16/43/36/712164336.db2.gz PAKNPALNKVDUFC-RNCFNFMXSA-N 0 1 249.285 2.328 20 10 BECDMN Oc1c(F)cc(F)cc1CN1CC[C@@H](F)C1 ZINC000708382825 712191834 /nfs/dbraw/zinc/19/18/34/712191834.db2.gz IKILBALQZCIBSU-MRVPVSSYSA-N 0 1 231.217 2.214 20 10 BECDMN c1ccc(CNCc2ccc3c(c2)CCO3)nc1 ZINC000037362678 712574933 /nfs/dbraw/zinc/57/49/33/712574933.db2.gz ZYFCLDSULZHUBU-UHFFFAOYSA-N 0 1 240.306 2.306 20 10 BECDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N(C)C ZINC000038088617 712807163 /nfs/dbraw/zinc/80/71/63/712807163.db2.gz FJXYKMTYLSCNRA-VIFPVBQESA-N 0 1 242.750 2.085 20 10 BECDMN C[N@@H+](Cc1ccc(Cl)cc1O)C1(C)COC1 ZINC001140466114 1166135929 /nfs/dbraw/zinc/13/59/29/1166135929.db2.gz XLWZJJIBVLFREQ-UHFFFAOYSA-N 0 1 241.718 2.266 20 10 BECDMN CN(Cc1ccc(Cl)cc1O)C1(C)COC1 ZINC001140466114 1166135935 /nfs/dbraw/zinc/13/59/35/1166135935.db2.gz XLWZJJIBVLFREQ-UHFFFAOYSA-N 0 1 241.718 2.266 20 10 BECDMN COCC[N@@H+](Cc1cccc(F)c1[O-])C(C)C ZINC000160254065 982545753 /nfs/dbraw/zinc/54/57/53/982545753.db2.gz LUHGEUQTENVGEF-UHFFFAOYSA-N 0 1 241.306 2.388 20 10 BECDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CO1 ZINC000402217289 970766570 /nfs/dbraw/zinc/76/65/70/970766570.db2.gz MVGZYIMWAYNHAS-LDYMZIIASA-N 0 1 241.718 2.313 20 10 BECDMN c1cc(CNCc2ccc3c(c2)CCO3)sn1 ZINC000404320195 971150471 /nfs/dbraw/zinc/15/04/71/971150471.db2.gz QGKFZBPMTSRSRK-UHFFFAOYSA-N 0 1 246.335 2.368 20 10 BECDMN CCC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001257309464 971202856 /nfs/dbraw/zinc/20/28/56/971202856.db2.gz UQSXVIQTXBOIJE-SECBINFHSA-N 0 1 237.299 2.059 20 10 BECDMN Cc1cccc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1O ZINC001594403903 958878459 /nfs/dbraw/zinc/87/84/59/958878459.db2.gz FOQKSSFSWWBBJU-SNVBAGLBSA-N 0 1 249.310 2.138 20 10 BECDMN Cc1c(O)ccc(CN2CCC[C@H](F)C2)c1O ZINC001140746255 959792482 /nfs/dbraw/zinc/79/24/82/959792482.db2.gz XFOOSTBFRKUMHJ-NSHDSACASA-N 0 1 239.290 2.340 20 10 BECDMN CO[C@@]1(C)C[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000694356316 959837944 /nfs/dbraw/zinc/83/79/44/959837944.db2.gz VXPUEUYEFNEOTD-NEPJUHHUSA-N 0 1 241.718 2.313 20 10 BECDMN C[C@@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@@H]1F ZINC001139685759 961246031 /nfs/dbraw/zinc/24/60/31/961246031.db2.gz WBXXNIOGUBMITQ-HQJQHLMTSA-N 0 1 245.244 2.460 20 10 BECDMN C[C@@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])C[C@@H]1F ZINC001139685759 961246049 /nfs/dbraw/zinc/24/60/49/961246049.db2.gz WBXXNIOGUBMITQ-HQJQHLMTSA-N 0 1 245.244 2.460 20 10 BECDMN C[C@H]1C[N@H+](Cc2ccccc2[O-])CCC[C@]1(C)O ZINC001203549869 966927008 /nfs/dbraw/zinc/92/70/08/966927008.db2.gz ADTWSAWTAUSBCS-WFASDCNBSA-N 0 1 249.354 2.375 20 10 BECDMN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CCC[C@]1(C)O ZINC001203549869 966927019 /nfs/dbraw/zinc/92/70/19/966927019.db2.gz ADTWSAWTAUSBCS-WFASDCNBSA-N 0 1 249.354 2.375 20 10 BECDMN Oc1ccc(CN2CCC[C@H](F)C2)c(O)c1 ZINC001204275380 966951617 /nfs/dbraw/zinc/95/16/17/966951617.db2.gz PUSWGSTVJHZWOU-JTQLQIEISA-N 0 1 225.263 2.032 20 10 BECDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H]1CF ZINC001137841568 967966968 /nfs/dbraw/zinc/96/69/68/967966968.db2.gz JYTLOQLLQSLRGB-SECBINFHSA-N 0 1 227.254 2.465 20 10 BECDMN Cc1cc(N)ncc1N(C)c1ccc(N)cc1 ZINC001209970733 969740888 /nfs/dbraw/zinc/74/08/88/969740888.db2.gz BCSJEFXIYOPXKN-UHFFFAOYSA-N 0 1 228.299 2.322 20 10 BECDMN Oc1ccc(F)cc1Nc1ccncc1 ZINC001173883796 975955905 /nfs/dbraw/zinc/95/59/05/975955905.db2.gz TUTGAVXRJXZZHV-UHFFFAOYSA-N 0 1 204.204 2.092 20 10 BECDMN C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231447047 977589980 /nfs/dbraw/zinc/58/99/80/977589980.db2.gz NTQYPEOLSOMHJS-SECBINFHSA-N 0 1 235.283 2.075 20 10 BECDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231448277 977590103 /nfs/dbraw/zinc/59/01/03/977590103.db2.gz BGEYPWOLGBJVJX-SNVBAGLBSA-N 0 1 249.310 2.322 20 10 BECDMN CC(C)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231446165 977591435 /nfs/dbraw/zinc/59/14/35/977591435.db2.gz FFVLBBQIZWOVPT-UHFFFAOYSA-N 0 1 237.299 2.178 20 10 BECDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001231453015 977597379 /nfs/dbraw/zinc/59/73/79/977597379.db2.gz AABOWPGHJBONGH-JOYOIKCWSA-N 0 1 247.294 2.075 20 10 BECDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001231565946 977636063 /nfs/dbraw/zinc/63/60/63/977636063.db2.gz FGLCNGWFLLSWFQ-SKDRFNHKSA-N 0 1 247.294 2.075 20 10 BECDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1O)CC1CCC1 ZINC001231565367 977636324 /nfs/dbraw/zinc/63/63/24/977636324.db2.gz UVBAWAPVCTYJMP-UHFFFAOYSA-N 0 1 249.310 2.322 20 10 BECDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001231565945 977638032 /nfs/dbraw/zinc/63/80/32/977638032.db2.gz FGLCNGWFLLSWFQ-JOYOIKCWSA-N 0 1 247.294 2.075 20 10 BECDMN Cc1cccc(CN2CCOC3(CC3)C2)c1O ZINC001231594308 977640088 /nfs/dbraw/zinc/64/00/88/977640088.db2.gz DQHYBVDTPMJPOS-UHFFFAOYSA-N 0 1 233.311 2.065 20 10 BECDMN Cc1cccc(CN(C)Cc2cncnc2)c1O ZINC001231594916 977640498 /nfs/dbraw/zinc/64/04/98/977640498.db2.gz NCHHOSSSIRRHIK-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN Cc1cc(C)c(CN2CCC(=O)[C@H](C)C2)c(O)c1 ZINC001231843307 977762760 /nfs/dbraw/zinc/76/27/60/977762760.db2.gz VLDATGNCUWTSKT-GFCCVEGCSA-N 0 1 247.338 2.420 20 10 BECDMN Oc1c(Cl)cccc1CN1CCC12COC2 ZINC001231911628 977800350 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237.299 2.077 20 10 BECDMN C[C@H]1CN(Cc2ccc(N)cc2)C2(CCC2)CO1 ZINC001120269638 989624028 /nfs/dbraw/zinc/62/40/28/989624028.db2.gz WVLFOWDSWTXSJY-LBPRGKRZSA-N 0 1 246.354 2.412 20 10 BECDMN C[N@@H+](Cc1c([O-])cccc1F)C1CCOCC1 ZINC001137831683 990853894 /nfs/dbraw/zinc/85/38/94/990853894.db2.gz JYMICDIVVIMGEH-UHFFFAOYSA-N 0 1 239.290 2.142 20 10 BECDMN Cc1cc(CN(C)C2(C)COC2)ccc1N(C)C ZINC001139672874 991314573 /nfs/dbraw/zinc/31/45/73/991314573.db2.gz KZJWKODYUZAKEU-UHFFFAOYSA-N 0 1 248.370 2.282 20 10 BECDMN Cc1ccc(C)c(CN(C)C2(C)COC2)c1O ZINC001140181565 991549166 /nfs/dbraw/zinc/54/91/66/991549166.db2.gz DGEMKHAKNOHAFH-UHFFFAOYSA-N 0 1 235.327 2.230 20 10 BECDMN CCn1cc(CN(C)Cc2ccc(N)cc2)cn1 ZINC000050540160 1171814439 /nfs/dbraw/zinc/81/44/39/1171814439.db2.gz NAJAYDXCEORNHL-UHFFFAOYSA-N 0 1 244.342 2.117 20 10 BECDMN CC1(C)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000097987272 344404980 /nfs/dbraw/zinc/40/49/80/344404980.db2.gz CXCNIUJCZWECIS-UHFFFAOYSA-N 0 1 249.310 2.353 20 10 BECDMN 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586742924 /nfs/dbraw/zinc/74/29/24/586742924.db2.gz DUMUXAFNPADOKR-NSHDSACASA-N 0 1 245.322 2.406 20 10 BECDMN CN(CCF)Cc1cc(Cl)ccc1O ZINC000816640588 586748200 /nfs/dbraw/zinc/74/82/00/586748200.db2.gz OUNUYFLCUJPNPN-UHFFFAOYSA-N 0 1 217.671 2.447 20 10 BECDMN C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000818362237 586889385 /nfs/dbraw/zinc/88/93/85/586889385.db2.gz SFVPVKIMUQBYDY-WCBMZHEXSA-N 0 1 241.718 2.485 20 10 BECDMN CN(C)c1ccc(CN2CC[C@H](F)C2)cc1 ZINC000824571911 587277264 /nfs/dbraw/zinc/27/72/64/587277264.db2.gz QVBIXBFWMIMYAI-LBPRGKRZSA-N 0 1 222.307 2.296 20 10 BECDMN CCOc1ccc(O)c(CN2CC[C@@H](F)C2)c1 ZINC000824572272 587277270 /nfs/dbraw/zinc/27/72/70/587277270.db2.gz XHJBVFURMIBPSZ-LLVKDONJSA-N 0 1 239.290 2.335 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](C)O)cc1Cl ZINC000825341788 587315733 /nfs/dbraw/zinc/31/57/33/587315733.db2.gz RZQVBHAXVDENKM-SECBINFHSA-N 0 1 243.734 2.215 20 10 BECDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](C)O)cc1Cl ZINC000825500458 587322060 /nfs/dbraw/zinc/32/20/60/587322060.db2.gz CAHCQYLPMXHOCR-SECBINFHSA-N 0 1 243.734 2.167 20 10 BECDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H](C)O)cc1Cl ZINC000825500458 587322062 /nfs/dbraw/zinc/32/20/62/587322062.db2.gz CAHCQYLPMXHOCR-SECBINFHSA-N 0 1 243.734 2.167 20 10 BECDMN C[C@@H](O)C1([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000827579759 587390128 /nfs/dbraw/zinc/39/01/28/587390128.db2.gz JPXFCAMNNXOLLQ-MRVPVSSYSA-N 0 1 241.718 2.049 20 10 BECDMN CCC[N@@H+](CC[C@@H](C)O)Cc1ccccc1O ZINC000827938032 587411443 /nfs/dbraw/zinc/41/14/43/587411443.db2.gz HXJJGSNNHBOEAA-GFCCVEGCSA-N 0 1 237.343 2.375 20 10 BECDMN CCN1CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244840 587652177 /nfs/dbraw/zinc/65/21/77/587652177.db2.gz ZTOFDGMQZCZEMU-ZDUSSCGKSA-N 0 1 247.342 2.082 20 10 BECDMN CN(C)c1ccc(/C=C/CNCCF)cc1 ZINC000835050933 587779704 /nfs/dbraw/zinc/77/97/04/587779704.db2.gz GNXHKVNQHDEWEW-ONEGZZNKSA-N 0 1 222.307 2.325 20 10 BECDMN Cc1cc([O-])c(C[NH2+][C@H](C)CCO)c(Cl)c1 ZINC000840899496 587928511 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ZINC000850577869 588561770 /nfs/dbraw/zinc/56/17/70/588561770.db2.gz DUXIOKNSDLRWAR-HGNGGELXSA-N 0 1 241.718 2.220 20 10 BECDMN [O-]c1c(C[NH2+]CC2COC2)ccc2ccccc21 ZINC000862532321 589218170 /nfs/dbraw/zinc/21/81/70/589218170.db2.gz WYNCXEFHTJGLMY-UHFFFAOYSA-N 0 1 243.306 2.281 20 10 BECDMN Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000124846149 590094439 /nfs/dbraw/zinc/09/44/39/590094439.db2.gz OTBOHBLBBRMDBC-TZMCWYRMSA-N 0 1 248.370 2.273 20 10 BECDMN Cc1ccc(C[N@@H+]2CCCOC[C@H]2C)c(O)c1 ZINC000876752565 590238199 /nfs/dbraw/zinc/23/81/99/590238199.db2.gz TUTQRAOXCNKTIG-GFCCVEGCSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC000877554554 590356565 /nfs/dbraw/zinc/35/65/65/590356565.db2.gz KGXDWXUWXRRMRK-GFCCVEGCSA-N 0 1 235.327 2.047 20 10 BECDMN Cc1cccc(O)c1CN[C@H]1CCn2ccnc21 ZINC000877557987 590359026 /nfs/dbraw/zinc/35/90/26/590359026.db2.gz ZPSVMTXCNWOLDO-LBPRGKRZSA-N 0 1 243.310 2.132 20 10 BECDMN Cn1cccc1CN1Cc2cccc(O)c2C1 ZINC000877703558 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634071303 /nfs/dbraw/zinc/07/13/03/634071303.db2.gz JGQXNYCHHNBUFX-LLVKDONJSA-N 0 1 243.734 2.469 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000164237395 640457754 /nfs/dbraw/zinc/45/77/54/640457754.db2.gz WUSYDTXXXDKMHH-ZYHUDNBSSA-N 0 1 241.718 2.049 20 10 BECDMN CC[C@@H](NCc1cc[nH]n1)c1ccccc1O ZINC000041014259 641539352 /nfs/dbraw/zinc/53/93/52/641539352.db2.gz CDPFKHKNECEXJG-GFCCVEGCSA-N 0 1 231.299 2.356 20 10 BECDMN CC[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000077453732 641856848 /nfs/dbraw/zinc/85/68/48/641856848.db2.gz STIBYNBGQADUCH-LLVKDONJSA-N 0 1 243.734 2.296 20 10 BECDMN C=Cn1cc(CN(C)Cc2ccccc2O)cn1 ZINC000193757512 644277799 /nfs/dbraw/zinc/27/77/99/644277799.db2.gz LICNMYZAGGOVBX-UHFFFAOYSA-N 0 1 243.310 2.321 20 10 BECDMN C[C@H](CCCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000087358627 644489422 /nfs/dbraw/zinc/48/94/22/644489422.db2.gz DWSKGMPETRFPOL-SECBINFHSA-N 0 1 243.734 2.296 20 10 BECDMN COc1cc(C)cc(CN2CC[C@H](F)C2)c1O ZINC000840104039 644865060 /nfs/dbraw/zinc/86/50/60/644865060.db2.gz GGESHDIQOMJESC-NSHDSACASA-N 0 1 239.290 2.253 20 10 BECDMN Oc1cc(F)c(Cl)cc1CN1CC(F)C1 ZINC000816567603 644962980 /nfs/dbraw/zinc/96/29/80/644962980.db2.gz GZONXQPWXWROIT-UHFFFAOYSA-N 0 1 233.645 2.338 20 10 BECDMN COCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825050837 645061069 /nfs/dbraw/zinc/06/10/69/645061069.db2.gz VGCRESUWIKXPDS-UHFFFAOYSA-N 0 1 229.707 2.090 20 10 BECDMN CN(Cc1ccc(F)c(F)c1O)CC(F)F ZINC000703459524 712076039 /nfs/dbraw/zinc/07/60/39/712076039.db2.gz OUXRKXPKZAFVTE-UHFFFAOYSA-N 0 1 237.196 2.367 20 10 BECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000711504367 712308021 /nfs/dbraw/zinc/30/80/21/712308021.db2.gz ZOEWFAJWTZVNJX-MRVPVSSYSA-N 0 1 245.244 2.462 20 10 BECDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](C)O ZINC000395294842 711207515 /nfs/dbraw/zinc/20/75/15/711207515.db2.gz DAEBPFSINKZYIQ-KCJUWKMLSA-N 0 1 243.734 2.295 20 10 BECDMN Cc1nnc([C@H](C)N[C@@H](C)c2ccccc2O)[nH]1 ZINC000392453179 711148551 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/nfs/dbraw/zinc/77/01/24/970770124.db2.gz MVGZYIMWAYNHAS-KWQFWETISA-N 0 1 241.718 2.313 20 10 BECDMN CCC(CC)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001257290380 971175220 /nfs/dbraw/zinc/17/52/20/971175220.db2.gz VASRUVZFLZIBCK-UHFFFAOYSA-N 0 1 237.299 2.059 20 10 BECDMN Cc1c[nH]c(CNCc2cc(C)ccc2O)n1 ZINC000693497198 958573666 /nfs/dbraw/zinc/57/36/66/958573666.db2.gz TVNURTQZEPZCMS-UHFFFAOYSA-N 0 1 231.299 2.022 20 10 BECDMN CSCC[N@@H+](C)Cc1c([O-])cc(F)cc1F ZINC001140585319 960445269 /nfs/dbraw/zinc/44/52/69/960445269.db2.gz FIZIUFIUXBVFPN-UHFFFAOYSA-N 0 1 247.310 2.465 20 10 BECDMN CCN(Cc1cc(C)n[nH]1)Cc1ccccc1O ZINC001203081601 960750982 /nfs/dbraw/zinc/75/09/82/960750982.db2.gz CRKLMJXXEQLQME-UHFFFAOYSA-N 0 1 245.326 2.446 20 10 BECDMN CN1CCOc2cc(CN3CC(C)(C)C3)ccc21 ZINC001141140052 960887639 /nfs/dbraw/zinc/88/76/39/960887639.db2.gz HPZRMQWUVIJNAR-UHFFFAOYSA-N 0 1 246.354 2.357 20 10 BECDMN COc1cccc(CN2CCC[C@H](F)C2)c1O ZINC000689902887 965453863 /nfs/dbraw/zinc/45/38/63/965453863.db2.gz GLDDWFWKEXBHQN-NSHDSACASA-N 0 1 239.290 2.335 20 10 BECDMN CCc1ccc(CN(C2CC2)C2COC2)c(O)c1 ZINC001236795537 966537594 /nfs/dbraw/zinc/53/75/94/966537594.db2.gz WDKHYPNSFSSTOB-UHFFFAOYSA-N 0 1 247.338 2.318 20 10 BECDMN Oc1ccccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001203556014 966688144 /nfs/dbraw/zinc/68/81/44/966688144.db2.gz IQMRDVPNYOAJKU-AWEZNQCLSA-N 0 1 233.311 2.147 20 10 BECDMN CN(Cc1ccc(O)c(O)c1)C1CC(F)(F)C1 ZINC001203873566 966804055 /nfs/dbraw/zinc/80/40/55/966804055.db2.gz GANFVJAFYPOTTF-UHFFFAOYSA-N 0 1 243.253 2.327 20 10 BECDMN C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001207630448 968848104 /nfs/dbraw/zinc/84/81/04/968848104.db2.gz CCQSBMCUZQYMCF-KWQFWETISA-N 0 1 241.718 2.170 20 10 BECDMN C[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H](C2CC2)O1 ZINC001334775265 976641475 /nfs/dbraw/zinc/64/14/75/976641475.db2.gz UQUGFWUHAUNKLA-ABAIWWIYSA-N 0 1 246.354 2.268 20 10 BECDMN CC1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231446829 977591954 /nfs/dbraw/zinc/59/19/54/977591954.db2.gz 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GKLYGHGGVTWUDE-UHFFFAOYSA-N 0 1 249.310 2.233 20 10 BECDMN C[N@H+](Cc1ccc(Cl)cc1[O-])C1CC(O)C1 ZINC001205340805 967552741 /nfs/dbraw/zinc/55/27/41/967552741.db2.gz LIULXMHVFHDQAV-UHFFFAOYSA-N 0 1 241.718 2.001 20 10 BECDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])C1CC(O)C1 ZINC001205340805 967552754 /nfs/dbraw/zinc/55/27/54/967552754.db2.gz LIULXMHVFHDQAV-UHFFFAOYSA-N 0 1 241.718 2.001 20 10 BECDMN Oc1cccc2c1C[N@H+]([C@H]1CCSC1)CC2 ZINC001255290330 970045734 /nfs/dbraw/zinc/04/57/34/970045734.db2.gz CRYUZWGNFYGEEX-NSHDSACASA-N 0 1 235.352 2.256 20 10 BECDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCCOC1 ZINC000401570617 970703023 /nfs/dbraw/zinc/70/30/23/970703023.db2.gz LEFCTFZTDPLEJK-NSHDSACASA-N 0 1 239.290 2.142 20 10 BECDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCCOC1 ZINC000401570616 970704998 /nfs/dbraw/zinc/70/49/98/970704998.db2.gz LEFCTFZTDPLEJK-LLVKDONJSA-N 0 1 239.290 2.142 20 10 BECDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCCC23CC3)c1 ZINC001231560523 977637671 /nfs/dbraw/zinc/63/76/71/977637671.db2.gz MTGWFMCPMZFCRO-UHFFFAOYSA-N 0 1 247.294 2.219 20 10 BECDMN Cc1cc(C)c(CN2CCO[C@@H](C)C2)c(O)c1 ZINC001231842795 977764791 /nfs/dbraw/zinc/76/47/91/977764791.db2.gz PWPOWPHWILSKMP-LBPRGKRZSA-N 0 1 235.327 2.230 20 10 BECDMN Cc1cc(C)c(CN(C)CCF)c(O)c1 ZINC001231848369 977769001 /nfs/dbraw/zinc/76/90/01/977769001.db2.gz HFGVEZRHPAPMIB-UHFFFAOYSA-N 0 1 211.280 2.410 20 10 BECDMN Oc1c(Cl)cccc1CN1CCCO1 ZINC001231909233 977789553 /nfs/dbraw/zinc/78/95/53/977789553.db2.gz CVMSBTDDXLLGIA-UHFFFAOYSA-N 0 1 213.664 2.183 20 10 BECDMN Oc1c(CN2CCCCO2)ccc(F)c1F ZINC001233073694 978460447 /nfs/dbraw/zinc/46/04/47/978460447.db2.gz CCZCSKKTWAPWOS-UHFFFAOYSA-N 0 1 229.226 2.198 20 10 BECDMN C[C@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccc(F)cc1O ZINC001603134457 979387914 /nfs/dbraw/zinc/38/79/14/979387914.db2.gz RVJXDDPIGHJUAQ-SFYZADRCSA-N 0 1 241.262 2.045 20 10 BECDMN Oc1c(F)cc(Cl)cc1CN1CCCO1 ZINC001237615861 979978328 /nfs/dbraw/zinc/97/83/28/979978328.db2.gz ABIXBZMRKXGKDA-UHFFFAOYSA-N 0 1 231.654 2.322 20 10 BECDMN Cc1cccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1O ZINC001607850800 980134490 /nfs/dbraw/zinc/13/44/90/980134490.db2.gz NDNMDCHMULZESD-GFCCVEGCSA-N 0 1 249.310 2.140 20 10 BECDMN Nc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001608272259 980198525 /nfs/dbraw/zinc/19/85/25/980198525.db2.gz BMBRNCIMFWPIQL-ZDUSSCGKSA-N 0 1 248.326 2.098 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CCCCO)cc1Cl ZINC000825720126 983916822 /nfs/dbraw/zinc/91/68/22/983916822.db2.gz APIVRNYJXVLBEP-UHFFFAOYSA-N 0 1 243.734 2.216 20 10 BECDMN Oc1c(F)cc(F)cc1CN1CC(F)(F)C1 ZINC001474759225 987819430 /nfs/dbraw/zinc/81/94/30/987819430.db2.gz FRKIBELCPDMZJR-UHFFFAOYSA-N 0 1 235.180 2.121 20 10 BECDMN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001137837879 990857254 /nfs/dbraw/zinc/85/72/54/990857254.db2.gz YAKUAMNQEZSYOD-HOTUBEGUSA-N 0 1 239.265 2.464 20 10 BECDMN C[C@@H](CC1CC1)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001258454155 991407020 /nfs/dbraw/zinc/40/70/20/991407020.db2.gz FNTOTSZHNJXYHE-VIFPVBQESA-N 0 1 249.310 2.059 20 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CCOCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000036229095 383891201 /nfs/dbraw/zinc/89/12/01/383891201.db2.gz NJBPYURLOZQUOH-UHFFFAOYSA-N 0 1 229.707 2.172 20 10 BECDMN CC[C@H](NCc1nccn1C)c1ccccc1O ZINC000071272988 384159810 /nfs/dbraw/zinc/15/98/10/384159810.db2.gz XYHHFVXAERYGLJ-LBPRGKRZSA-N 0 1 245.326 2.367 20 10 BECDMN Cc1ccc([C@H](C)NCc2nccn2C)c(O)c1 ZINC000071273087 384159970 /nfs/dbraw/zinc/15/99/70/384159970.db2.gz NREQDJHUNKTKSO-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN C[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134922981 384400024 /nfs/dbraw/zinc/40/00/24/384400024.db2.gz VAHQCQQSSAGKRG-IUCAKERBSA-N 0 1 243.734 2.467 20 10 BECDMN CC[N@H+](CCCO)Cc1c([O-])cccc1Cl ZINC000271206603 385802342 /nfs/dbraw/zinc/80/23/42/385802342.db2.gz SFGWIWKTFHIBPT-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN CC[N@@H+](CCCO)Cc1c([O-])cccc1Cl ZINC000271206603 385802346 /nfs/dbraw/zinc/80/23/46/385802346.db2.gz SFGWIWKTFHIBPT-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN CCC[C@]1(CO)CC[N@@H+](Cc2ccccc2O)C1 ZINC000290225301 386409398 /nfs/dbraw/zinc/40/93/98/386409398.db2.gz SGAVWYIIDCQSQZ-HNNXBMFYSA-N 0 1 249.354 2.377 20 10 BECDMN C[C@H]([NH2+]CCN(C)C)c1cc(Cl)ccc1[O-] ZINC000287005216 387353054 /nfs/dbraw/zinc/35/30/54/387353054.db2.gz KIZSHQVNEJJKKT-VIFPVBQESA-N 0 1 242.750 2.258 20 10 BECDMN C[C@@H]([NH2+]CCCO)c1cc(Cl)ccc1[O-] ZINC000134903787 388480103 /nfs/dbraw/zinc/48/01/03/388480103.db2.gz AAAQWONRCDSFSF-MRVPVSSYSA-N 0 1 229.707 2.079 20 10 BECDMN C[C@H]([NH2+]CCCO)c1cc(Cl)ccc1[O-] ZINC000134903766 388480184 /nfs/dbraw/zinc/48/01/84/388480184.db2.gz AAAQWONRCDSFSF-QMMMGPOBSA-N 0 1 229.707 2.079 20 10 BECDMN Oc1ccccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000179583400 134322062 /nfs/dbraw/zinc/32/20/62/134322062.db2.gz PWSMUMVJBPUESG-AWEZNQCLSA-N 0 1 233.311 2.005 20 10 BECDMN CCn1ccnc1CN[C@@H](C)c1ccccc1O ZINC000271646752 172223987 /nfs/dbraw/zinc/22/39/87/172223987.db2.gz IEYFUZBFKVKATJ-NSHDSACASA-N 0 1 245.326 2.459 20 10 BECDMN C[C@@H]1CSCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000272253591 176350982 /nfs/dbraw/zinc/35/09/82/176350982.db2.gz ITSNBPJFZOSADA-SECBINFHSA-N 0 1 241.331 2.469 20 10 BECDMN CCN(C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000083552237 491126518 /nfs/dbraw/zinc/12/65/18/491126518.db2.gz HQPYLNFOWKVMOK-UHFFFAOYSA-N 0 1 242.750 2.087 20 10 BECDMN COC1CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000839130355 585093640 /nfs/dbraw/zinc/09/36/40/585093640.db2.gz BXLDFPZAIXWTPZ-UHFFFAOYSA-N 0 1 245.681 2.015 20 10 BECDMN COc1cccc(CN(C)Cc2ccc[nH]2)c1O ZINC000769544527 585559196 /nfs/dbraw/zinc/55/91/96/585559196.db2.gz XTJFTURBCKUJGD-UHFFFAOYSA-N 0 1 246.310 2.361 20 10 BECDMN CC[N@H+](Cc1ccccc1O)C[C@H]1CCOC1 ZINC000770508698 585575179 /nfs/dbraw/zinc/57/51/79/585575179.db2.gz FHFHNSCVSQJSCA-GFCCVEGCSA-N 0 1 235.327 2.251 20 10 BECDMN Oc1c(F)cc(Cl)cc1CN1CCOCC1 ZINC000775634656 585681847 /nfs/dbraw/zinc/68/18/47/585681847.db2.gz TUDHFBAXLQVUOQ-UHFFFAOYSA-N 0 1 245.681 2.017 20 10 BECDMN Oc1cc2c(cc1CN1CC[C@@H](F)C1)CCC2 ZINC000840105692 586447473 /nfs/dbraw/zinc/44/74/73/586447473.db2.gz PYYCBSOCQVDOEF-CYBMUJFWSA-N 0 1 235.302 2.425 20 10 BECDMN Cc1nc([C@@H](C)Sc2nccs2)n[nH]1 ZINC000840194303 586537727 /nfs/dbraw/zinc/53/77/27/586537727.db2.gz XGJUUFGNDVPZBG-RXMQYKEDSA-N 0 1 226.330 2.423 20 10 BECDMN COCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816528516 586738977 /nfs/dbraw/zinc/73/89/77/586738977.db2.gz GQGOVJWZCJECHK-UHFFFAOYSA-N 0 1 231.295 2.281 20 10 BECDMN [O-]c1c(C[NH2+]CCCCO)ccc2ccccc21 ZINC000816593177 586743183 /nfs/dbraw/zinc/74/31/83/586743183.db2.gz HNTGXRIOFQWPTL-UHFFFAOYSA-N 0 1 245.322 2.408 20 10 BECDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1C ZINC000816646815 586749107 /nfs/dbraw/zinc/74/91/07/586749107.db2.gz JHYPPZRXJGRMRM-RKDXNWHRSA-N 0 1 209.264 2.372 20 10 BECDMN Cc1cccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000817412736 586801994 /nfs/dbraw/zinc/80/19/94/586801994.db2.gz OQNWATWZPYIXPT-DGCLKSJQSA-N 0 1 249.354 2.151 20 10 BECDMN Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c1O ZINC000821112404 587096534 /nfs/dbraw/zinc/09/65/34/587096534.db2.gz YMYUZZWBOQEKTR-LBPRGKRZSA-N 0 1 249.310 2.140 20 10 BECDMN CO[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1C ZINC000824815758 587288779 /nfs/dbraw/zinc/28/87/79/587288779.db2.gz YURFCAQSTNNFKR-FZMZJTMJSA-N 0 1 235.327 2.249 20 10 BECDMN C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000825103504 587304357 /nfs/dbraw/zinc/30/43/57/587304357.db2.gz GTZTZGRQXUKVMU-LDYMZIIASA-N 0 1 241.718 2.001 20 10 BECDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000825103504 587304359 /nfs/dbraw/zinc/30/43/59/587304359.db2.gz GTZTZGRQXUKVMU-LDYMZIIASA-N 0 1 241.718 2.001 20 10 BECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CCO)cc1Cl ZINC000825298170 587313254 /nfs/dbraw/zinc/31/32/54/587313254.db2.gz VWKHGURTABBQON-VIFPVBQESA-N 0 1 243.734 2.215 20 10 BECDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H](C)O)cc1Cl ZINC000825500459 587321947 /nfs/dbraw/zinc/32/19/47/587321947.db2.gz CAHCQYLPMXHOCR-VIFPVBQESA-N 0 1 243.734 2.167 20 10 BECDMN Cc1cc([O-])c(C[N@H+](C)C[C@H](C)O)cc1Cl ZINC000825500459 587321949 /nfs/dbraw/zinc/32/19/49/587321949.db2.gz CAHCQYLPMXHOCR-VIFPVBQESA-N 0 1 243.734 2.167 20 10 BECDMN CO[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825641440 587328624 /nfs/dbraw/zinc/32/86/24/587328624.db2.gz RZMSUMHQHRKHML-SECBINFHSA-N 0 1 243.734 2.479 20 10 BECDMN Cc1cccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1O ZINC000827700828 587397435 /nfs/dbraw/zinc/39/74/35/587397435.db2.gz XVHNHIJEPBEHMI-SWLSCSKDSA-N 0 1 249.354 2.151 20 10 BECDMN CCC[N@@H+](CC[C@H](C)O)Cc1ccccc1O ZINC000827938033 587410946 /nfs/dbraw/zinc/41/09/46/587410946.db2.gz HXJJGSNNHBOEAA-LBPRGKRZSA-N 0 1 237.343 2.375 20 10 BECDMN Cc1cc(O)c(C[N@@H+](CC(=O)[O-])C2CC2)cc1C ZINC000832898088 587694551 /nfs/dbraw/zinc/69/45/51/587694551.db2.gz CNQNODXTRJDPLR-UHFFFAOYSA-N 0 1 249.310 2.058 20 10 BECDMN Cc1cc(N(C)C)ccc1CN1CCO[C@H](C)C1 ZINC000840909896 587929588 /nfs/dbraw/zinc/92/95/88/587929588.db2.gz MMDNXKVNNNFIIX-CYBMUJFWSA-N 0 1 248.370 2.282 20 10 BECDMN Cc1cc(N(C)C)ccc1CN1CCO[C@@H](C)C1 ZINC000840909898 587929782 /nfs/dbraw/zinc/92/97/82/587929782.db2.gz MMDNXKVNNNFIIX-ZDUSSCGKSA-N 0 1 248.370 2.282 20 10 BECDMN CCn1ccc(CNCc2cc(C)ccc2O)n1 ZINC000840956551 587932047 /nfs/dbraw/zinc/93/20/47/587932047.db2.gz WZRCSSVHWJFKPM-UHFFFAOYSA-N 0 1 245.326 2.207 20 10 BECDMN CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745121 587973940 /nfs/dbraw/zinc/97/39/40/587973940.db2.gz UQCDBNPNUUIQLY-WPRPVWTQSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755152 587974530 /nfs/dbraw/zinc/97/45/30/587974530.db2.gz OBBJSHYXIODPHX-YUMQZZPRSA-N 0 1 229.707 2.077 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000848902071 588418749 /nfs/dbraw/zinc/41/87/49/588418749.db2.gz JJWYVDBZCRCJIK-DGCLKSJQSA-N 0 1 249.354 2.157 20 10 BECDMN CC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000850527527 588557540 /nfs/dbraw/zinc/55/75/40/588557540.db2.gz ALXNZUJPMXMTDX-PSASIEDQSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000850577871 588561789 /nfs/dbraw/zinc/56/17/89/588561789.db2.gz DUXIOKNSDLRWAR-SZEHBUNVSA-N 0 1 241.718 2.220 20 10 BECDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442661 589213207 /nfs/dbraw/zinc/21/32/07/589213207.db2.gz FHRMXOFYLFNDCY-AOOOYVTPSA-N 0 1 223.703 2.497 20 10 BECDMN Cc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000876566871 590217079 /nfs/dbraw/zinc/21/70/79/590217079.db2.gz VUHUGFFZWFHSIC-LBPRGKRZSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1ccc(C[N@@H+](C)C[C@H]2CCCO2)c(O)c1 ZINC000876566838 590217223 /nfs/dbraw/zinc/21/72/23/590217223.db2.gz UXXSZVPXWAKPLG-CYBMUJFWSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000876789820 590241272 /nfs/dbraw/zinc/24/12/72/590241272.db2.gz KHBIBFJPCLFWKT-OAHLLOKOSA-N 0 1 247.338 2.313 20 10 BECDMN Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c(O)c1 ZINC000877170318 590295812 /nfs/dbraw/zinc/29/58/12/590295812.db2.gz MBXZPXSBGNLQEL-CHWSQXEVSA-N 0 1 249.354 2.293 20 10 BECDMN Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c(O)c1 ZINC000877170323 590295975 /nfs/dbraw/zinc/29/59/75/590295975.db2.gz MBXZPXSBGNLQEL-STQMWFEESA-N 0 1 249.354 2.293 20 10 BECDMN Cc1ccc(CN[C@@H]2CCn3ccnc32)c(O)c1 ZINC000877557931 590358654 /nfs/dbraw/zinc/35/86/54/590358654.db2.gz ZBUPZKHPNCJEEN-GFCCVEGCSA-N 0 1 243.310 2.132 20 10 BECDMN Cc1ncc(CNCc2ccc(C)cc2O)o1 ZINC000877583332 590366278 /nfs/dbraw/zinc/36/62/78/590366278.db2.gz OVKOWLZNLPWHNY-UHFFFAOYSA-N 0 1 232.283 2.287 20 10 BECDMN CCn1ccc(CNCc2ccc(C)cc2O)n1 ZINC000877587077 590368038 /nfs/dbraw/zinc/36/80/38/590368038.db2.gz DCMFMWXJPBIHBW-UHFFFAOYSA-N 0 1 245.326 2.207 20 10 BECDMN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c(O)c1 ZINC000877591609 590368561 /nfs/dbraw/zinc/36/85/61/590368561.db2.gz HCARICPRXCIELE-OCCSQVGLSA-N 0 1 249.354 2.293 20 10 BECDMN Cc1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c(O)c1 ZINC000877631945 590378433 /nfs/dbraw/zinc/37/84/33/590378433.db2.gz WTEHUDNVKPKOPF-ZFWWWQNUSA-N 0 1 247.338 2.169 20 10 BECDMN Cc1ccc(O)c([C@@H](C)NCc2ccn(C)n2)c1 ZINC000213178510 591454664 /nfs/dbraw/zinc/45/46/64/591454664.db2.gz FBIQBJKHEBRHPD-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN Oc1c(F)cc(F)cc1CNC(CF)CF ZINC000883132534 591547382 /nfs/dbraw/zinc/54/73/82/591547382.db2.gz USFZTZKWLQUHSN-UHFFFAOYSA-N 0 1 237.196 2.068 20 10 BECDMN CC[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000132633470 591725949 /nfs/dbraw/zinc/72/59/49/591725949.db2.gz FSWAUCNJTAHJTI-LBPRGKRZSA-N 0 1 221.300 2.003 20 10 BECDMN CC(C)(CO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000133519013 591811798 /nfs/dbraw/zinc/81/17/98/591811798.db2.gz ZNPBLQCHPFCSBA-UHFFFAOYSA-N 0 1 243.734 2.154 20 10 BECDMN COCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134905827 591958278 /nfs/dbraw/zinc/95/82/78/591958278.db2.gz HLEJHRGFZYVAGC-QMMMGPOBSA-N 0 1 229.707 2.343 20 10 BECDMN COc1cccc(O)c1CNCc1ccco1 ZINC000725841666 632765714 /nfs/dbraw/zinc/76/57/14/632765714.db2.gz TVSCHDPIOZFKLU-UHFFFAOYSA-N 0 1 233.267 2.284 20 10 BECDMN CC[C@@H]([NH2+][C@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000309421634 633048261 /nfs/dbraw/zinc/04/82/61/633048261.db2.gz DSPVJLXYAGOWTA-LDYMZIIASA-N 0 1 243.734 2.467 20 10 BECDMN Cc1ccc(O)c([C@H](C)NCc2cc[nH]n2)c1 ZINC000041015015 636951441 /nfs/dbraw/zinc/95/14/41/636951441.db2.gz FIWAYRATFFTSKA-JTQLQIEISA-N 0 1 231.299 2.275 20 10 BECDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](C)CO ZINC000077423897 641855836 /nfs/dbraw/zinc/85/58/36/641855836.db2.gz VVCWZOVBGNMUGF-RKDXNWHRSA-N 0 1 243.734 2.152 20 10 BECDMN CO[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000191199428 641906098 /nfs/dbraw/zinc/90/60/98/641906098.db2.gz RXRMMSTZWXVOOB-MRVPVSSYSA-N 0 1 229.707 2.170 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCOC1 ZINC000071011530 643093548 /nfs/dbraw/zinc/09/35/48/643093548.db2.gz AHUCFOPVMZVWOB-NSHDSACASA-N 0 1 241.718 2.314 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCOC1 ZINC000071011527 643094314 /nfs/dbraw/zinc/09/43/14/643094314.db2.gz AHUCFOPVMZVWOB-LLVKDONJSA-N 0 1 241.718 2.314 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000086816694 644471570 /nfs/dbraw/zinc/47/15/70/644471570.db2.gz KJFAWKFIRYWCJS-CQSZACIVSA-N 0 1 249.310 2.140 20 10 BECDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)(C)O ZINC000381287914 710615979 /nfs/dbraw/zinc/61/59/79/710615979.db2.gz ZZDZJDKNPLUFAL-QMMMGPOBSA-N 0 1 243.734 2.295 20 10 BECDMN CC[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@H](C)O ZINC000386748875 711036068 /nfs/dbraw/zinc/03/60/68/711036068.db2.gz GAMFWUPUPPDPJU-GZMMTYOYSA-N 0 1 243.734 2.295 20 10 BECDMN CO[C@H](C)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703530163 712077960 /nfs/dbraw/zinc/07/79/60/712077960.db2.gz MVKBKKLLAAGBAG-MRVPVSSYSA-N 0 1 245.269 2.137 20 10 BECDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N(C)C ZINC000038088618 712806825 /nfs/dbraw/zinc/80/68/25/712806825.db2.gz FJXYKMTYLSCNRA-SECBINFHSA-N 0 1 242.750 2.085 20 10 BECDMN Cc1ccc(O)c(CN2CC(OC(C)C)C2)c1 ZINC001140623906 960465946 /nfs/dbraw/zinc/46/59/46/960465946.db2.gz WQLWUFKYSIOYHU-UHFFFAOYSA-N 0 1 235.327 2.310 20 10 BECDMN Oc1ccc(CN2CCC(F)CC2)cc1O ZINC001203875497 966804657 /nfs/dbraw/zinc/80/46/57/966804657.db2.gz NTIWJFKZBXKKCC-UHFFFAOYSA-N 0 1 225.263 2.032 20 10 BECDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CO1 ZINC000402217287 970768780 /nfs/dbraw/zinc/76/87/80/970768780.db2.gz MVGZYIMWAYNHAS-KCJUWKMLSA-N 0 1 241.718 2.313 20 10 BECDMN Cc1ccc(O)c(CN(C)Cc2ccncn2)c1 ZINC001140624219 959223985 /nfs/dbraw/zinc/22/39/85/959223985.db2.gz LOFVUCGCQCKXIX-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN Cc1c(O)ccc(CN2CC(C(F)F)C2)c1O ZINC001140751106 960553162 /nfs/dbraw/zinc/55/31/62/960553162.db2.gz JMDNJJSXLXLOHG-UHFFFAOYSA-N 0 1 243.253 2.103 20 10 BECDMN CN(C)Cc1ccc(N(C)C)cc1Cl ZINC001140921366 960688368 /nfs/dbraw/zinc/68/83/68/960688368.db2.gz CGFIQNTZRQVXLP-UHFFFAOYSA-N 0 1 212.724 2.468 20 10 BECDMN Cc1ncoc1CN1CCc2cccc(O)c2C1 ZINC001141053738 960844923 /nfs/dbraw/zinc/84/49/23/960844923.db2.gz OBFPHHGYAPKBEL-UHFFFAOYSA-N 0 1 244.294 2.247 20 10 BECDMN C[C@@H]1C[C@H](F)CN1Cc1cc(O)ccc1O ZINC001141156076 960892492 /nfs/dbraw/zinc/89/24/92/960892492.db2.gz DTPQJVNMAWUJSD-SCZZXKLOSA-N 0 1 225.263 2.030 20 10 BECDMN Oc1ccc(O)c(CN2CCCC[C@@H](F)C2)c1 ZINC001141156795 960894921 /nfs/dbraw/zinc/89/49/21/960894921.db2.gz VGVMCJGWKMSFNT-LLVKDONJSA-N 0 1 239.290 2.422 20 10 BECDMN CC[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142502403 961455923 /nfs/dbraw/zinc/45/59/23/961455923.db2.gz OJRBYDVOHKIAAJ-UHFFFAOYSA-N 0 1 201.216 2.122 20 10 BECDMN CC1(F)CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203875677 966804684 /nfs/dbraw/zinc/80/46/84/966804684.db2.gz SKJCWJUNFPTVRR-UHFFFAOYSA-N 0 1 239.290 2.422 20 10 BECDMN CC(=O)[C@H]1CCCCN1Cc1ccc(O)cc1O ZINC001204281873 966961169 /nfs/dbraw/zinc/96/11/69/966961169.db2.gz YNGOJXAHOXFGRI-CYBMUJFWSA-N 0 1 249.310 2.041 20 10 BECDMN CC(=O)[C@@H]1CCCCN1Cc1ccc(O)cc1O ZINC001204281874 966961466 /nfs/dbraw/zinc/96/14/66/966961466.db2.gz YNGOJXAHOXFGRI-ZDUSSCGKSA-N 0 1 249.310 2.041 20 10 BECDMN COc1cc(CN2CCC3(CC3)C2)cc(O)c1O ZINC001204347875 966976880 /nfs/dbraw/zinc/97/68/80/966976880.db2.gz ZNZZMWSZBFRSNY-UHFFFAOYSA-N 0 1 249.310 2.092 20 10 BECDMN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1O ZINC001203556991 966977528 /nfs/dbraw/zinc/97/75/28/966977528.db2.gz XYGIDFBQMXVLAV-BETUJISGSA-N 0 1 245.322 2.478 20 10 BECDMN CCN(Cc1cncn1C)Cc1ccccc1O ZINC001204386418 966988089 /nfs/dbraw/zinc/98/80/89/966988089.db2.gz BJSSWRAPIHPVPO-UHFFFAOYSA-N 0 1 245.326 2.148 20 10 BECDMN Cc1nc[nH]c1CN(C)Cc1ccccc1O ZINC001204592211 967093016 /nfs/dbraw/zinc/09/30/16/967093016.db2.gz LJMQADZJTXEOSI-UHFFFAOYSA-N 0 1 231.299 2.056 20 10 BECDMN Oc1c(F)cc(F)cc1Nc1ccncc1 ZINC001173884683 975971867 /nfs/dbraw/zinc/97/18/67/975971867.db2.gz WIMYFKMEWJRYPC-UHFFFAOYSA-N 0 1 222.194 2.231 20 10 BECDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C(C)(C)C ZINC001231450394 977592221 /nfs/dbraw/zinc/59/22/21/977592221.db2.gz DYNGYGRVQALDLT-UHFFFAOYSA-N 0 1 237.299 2.321 20 10 BECDMN CCCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231446355 977593814 /nfs/dbraw/zinc/59/38/14/977593814.db2.gz HKESGIMIMKGEQK-UHFFFAOYSA-N 0 1 237.299 2.322 20 10 BECDMN Cc1cc(C)c(CN2CCO[C@H](C)C2)c(O)c1 ZINC001231842794 977761868 /nfs/dbraw/zinc/76/18/68/977761868.db2.gz PWPOWPHWILSKMP-GFCCVEGCSA-N 0 1 235.327 2.230 20 10 BECDMN Cc1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c(O)c1 ZINC001331074675 977995983 /nfs/dbraw/zinc/99/59/83/977995983.db2.gz GNFFJERYTJVJED-OAHLLOKOSA-N 0 1 247.338 2.047 20 10 BECDMN COc1cc(Cl)cc(CN2CCC2)c1O ZINC001233287527 978536998 /nfs/dbraw/zinc/53/69/98/978536998.db2.gz UUFAYPITRGPXGT-UHFFFAOYSA-N 0 1 227.691 2.260 20 10 BECDMN CCc1ccc(CN2CCO[C@H](C)C2)c(O)c1 ZINC001236782782 979729094 /nfs/dbraw/zinc/72/90/94/979729094.db2.gz DVUHEJQETWSSTO-LLVKDONJSA-N 0 1 235.327 2.175 20 10 BECDMN CCc1ccc(CN(C)C2(C)COC2)c(O)c1 ZINC001236794856 979739952 /nfs/dbraw/zinc/73/99/52/979739952.db2.gz PZFLSKWGVPWGGI-UHFFFAOYSA-N 0 1 235.327 2.175 20 10 BECDMN COc1cc(C)c(C[N@@H+](C)CCF)c(O)c1 ZINC001236813063 979743952 /nfs/dbraw/zinc/74/39/52/979743952.db2.gz FTIXGWIRMCMMMP-UHFFFAOYSA-N 0 1 227.279 2.111 20 10 BECDMN COc1cc(C)c(CN(C)CCF)c(O)c1 ZINC001236813063 979743965 /nfs/dbraw/zinc/74/39/65/979743965.db2.gz FTIXGWIRMCMMMP-UHFFFAOYSA-N 0 1 227.279 2.111 20 10 BECDMN Cc1cccc(O)c1CN1CCC(=O)[C@H](C)C1 ZINC001237486259 979912080 /nfs/dbraw/zinc/91/20/80/979912080.db2.gz ZTXBMPHUQZCKBY-LLVKDONJSA-N 0 1 233.311 2.112 20 10 BECDMN Cc1cccc(O)c1CN(C)Cc1ccncn1 ZINC001237494627 979916431 /nfs/dbraw/zinc/91/64/31/979916431.db2.gz JXJCAJKMRWUZHO-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN Cc1cccc(O)c1CN1C[C@H]2CC[C@@H]1CO2 ZINC001237494150 979918978 /nfs/dbraw/zinc/91/89/78/979918978.db2.gz FKHADAHGNLRZLZ-VXGBXAGGSA-N 0 1 233.311 2.064 20 10 BECDMN COc1cccc(CN2C[C@@H](C)[C@@H](F)C2)c1O ZINC001203584849 979973696 /nfs/dbraw/zinc/97/36/96/979973696.db2.gz HRZBFYGSNOBCPD-KOLCDFICSA-N 0 1 239.290 2.191 20 10 BECDMN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])C1COC1 ZINC001237800070 980048694 /nfs/dbraw/zinc/04/86/94/980048694.db2.gz WLNQPOTUESNFBV-UHFFFAOYSA-N 0 1 245.681 2.015 20 10 BECDMN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C1COC1 ZINC001237800070 980048702 /nfs/dbraw/zinc/04/87/02/980048702.db2.gz WLNQPOTUESNFBV-UHFFFAOYSA-N 0 1 245.681 2.015 20 10 BECDMN CCN(CC)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193589993 981377696 /nfs/dbraw/zinc/37/76/96/981377696.db2.gz TZVXLUQZYKHOHH-UHFFFAOYSA-N 0 1 243.690 2.233 20 10 BECDMN CC1(NCc2ccc(N3CCCC3)cc2)COC1 ZINC001119246674 988863011 /nfs/dbraw/zinc/86/30/11/988863011.db2.gz BWBIDETUBSQBDL-UHFFFAOYSA-N 0 1 246.354 2.165 20 10 BECDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cccc1F ZINC001137833111 990855178 /nfs/dbraw/zinc/85/51/78/990855178.db2.gz TVKOVOKTQHCPMZ-AOOOYVTPSA-N 0 1 249.285 2.227 20 10 BECDMN CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138131150 990886604 /nfs/dbraw/zinc/88/66/04/990886604.db2.gz RUJPIMZKSWDRPN-LBPRGKRZSA-N 0 1 237.274 2.085 20 10 BECDMN Oc1cccc(Br)c1CN1CCC1 ZINC001140098863 991521902 /nfs/dbraw/zinc/52/19/02/991521902.db2.gz PONLAGCJOKFFAP-UHFFFAOYSA-N 0 1 242.116 2.360 20 10 BECDMN CC(=O)CN(C)Cc1c(C)ccc(C)c1O ZINC001140178574 991550468 /nfs/dbraw/zinc/55/04/68/991550468.db2.gz PERZVQPADBKUAH-UHFFFAOYSA-N 0 1 221.300 2.030 20 10 BECDMN CCC[N@H+](CCO)Cc1ccc(Cl)cc1[O-] ZINC001560730432 991579198 /nfs/dbraw/zinc/57/91/98/991579198.db2.gz YGXZTXLDDOEOTM-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN CCC[N@@H+](CCO)Cc1ccc(Cl)cc1[O-] ZINC001560730432 991579206 /nfs/dbraw/zinc/57/92/06/991579206.db2.gz YGXZTXLDDOEOTM-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN C[C@@]1(O)CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140462272 991643851 /nfs/dbraw/zinc/64/38/51/991643851.db2.gz CYLCKCWBHVXVIA-GFCCVEGCSA-N 0 1 241.718 2.002 20 10 BECDMN C[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140462272 991643853 /nfs/dbraw/zinc/64/38/53/991643853.db2.gz CYLCKCWBHVXVIA-GFCCVEGCSA-N 0 1 241.718 2.002 20 10 BECDMN COC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140468351 991647763 /nfs/dbraw/zinc/64/77/63/991647763.db2.gz HWRZAJMIEMDSOD-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN COC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140468351 991647764 /nfs/dbraw/zinc/64/77/64/991647764.db2.gz HWRZAJMIEMDSOD-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN [O-]c1c(C[NH2+]C/C=C\CO)ccc2ccccc12 ZINC001621432079 1170806566 /nfs/dbraw/zinc/80/65/66/1170806566.db2.gz GDBRKZSKANQDFP-ARJAWSKDSA-N 0 1 243.306 2.184 20 10 BECDMN C[C@H]1CN(Cc2ccc(N)cc2)CC(C)(C)O1 ZINC000045661738 1171452957 /nfs/dbraw/zinc/45/29/57/1171452957.db2.gz VZGGDHBHKPSJKF-NSHDSACASA-N 0 1 234.343 2.268 20 10 BECDMN CC(C)(CCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611972 187321185 /nfs/dbraw/zinc/32/11/85/187321185.db2.gz SNZQSSHLQZLNBB-UHFFFAOYSA-N 0 1 241.306 2.030 20 10 BECDMN CC[C@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552507 398283893 /nfs/dbraw/zinc/28/38/93/398283893.db2.gz MTUWATSALAPBIQ-LBPRGKRZSA-N 0 1 243.734 2.296 20 10 BECDMN CC(=O)C(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000289611085 187347533 /nfs/dbraw/zinc/34/75/33/187347533.db2.gz KWPXMPXGAWOSCI-UHFFFAOYSA-N 0 1 248.307 2.122 20 10 BECDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1CF ZINC000293824661 188390881 /nfs/dbraw/zinc/39/08/81/188390881.db2.gz AHITWMHFNKNKBJ-JTQLQIEISA-N 0 1 227.254 2.465 20 10 BECDMN OCC[C@H](NCc1ccccc1O)c1ccco1 ZINC000184519995 183097058 /nfs/dbraw/zinc/09/70/58/183097058.db2.gz HZRKUUXEOSVQDA-LBPRGKRZSA-N 0 1 247.294 2.199 20 10 BECDMN CCC[N@@H+](CCC(=O)[O-])Cc1ccccc1O ZINC000084857718 169139940 /nfs/dbraw/zinc/13/99/40/169139940.db2.gz XIHOQDCZIQEBBW-UHFFFAOYSA-N 0 1 237.299 2.079 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCOC1 ZINC000083551888 183293374 /nfs/dbraw/zinc/29/33/74/183293374.db2.gz QWVVXAQYPLUGIH-VIFPVBQESA-N 0 1 241.718 2.172 20 10 BECDMN Oc1ccccc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000368623038 183301309 /nfs/dbraw/zinc/30/13/09/183301309.db2.gz HLZCUARDAGHKDJ-LBPRGKRZSA-N 0 1 243.310 2.452 20 10 BECDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CC2)c1[O-] ZINC000037322940 383972117 /nfs/dbraw/zinc/97/21/17/383972117.db2.gz LXKMMJPOQCXZJI-UHFFFAOYSA-N 0 1 237.274 2.328 20 10 BECDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CC2)c1[O-] ZINC000037322940 383972122 /nfs/dbraw/zinc/97/21/22/383972122.db2.gz LXKMMJPOQCXZJI-UHFFFAOYSA-N 0 1 237.274 2.328 20 10 BECDMN CC(=O)c1cc(F)cc(CN(C)C2CC2)c1O ZINC000037322940 383972124 /nfs/dbraw/zinc/97/21/24/383972124.db2.gz LXKMMJPOQCXZJI-UHFFFAOYSA-N 0 1 237.274 2.328 20 10 BECDMN C[C@@H]1OCCN(Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000093417621 384234679 /nfs/dbraw/zinc/23/46/79/384234679.db2.gz ODIYBPQUZMKDTA-STQMWFEESA-N 0 1 248.370 2.362 20 10 BECDMN C[C@@H](O)CC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000132509803 384234938 /nfs/dbraw/zinc/23/49/38/384234938.db2.gz BAOFZGVHZKJJFP-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618465 384307093 /nfs/dbraw/zinc/30/70/93/384307093.db2.gz WSNYXCBCLVAULI-NXEZZACHSA-N 0 1 241.306 2.200 20 10 BECDMN C[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134923044 384399995 /nfs/dbraw/zinc/39/99/95/384399995.db2.gz VAHQCQQSSAGKRG-RKDXNWHRSA-N 0 1 243.734 2.467 20 10 BECDMN Cc1cnc(CNCc2ccccc2O)s1 ZINC000164841475 385045730 /nfs/dbraw/zinc/04/57/30/385045730.db2.gz DLIWGDFTEOGMCP-UHFFFAOYSA-N 0 1 234.324 2.447 20 10 BECDMN Cc1c[nH]nc1CNCc1ccc(N(C)C)cc1 ZINC000289927051 386373110 /nfs/dbraw/zinc/37/31/10/386373110.db2.gz OVJOQXAJLYUCAU-UHFFFAOYSA-N 0 1 244.342 2.074 20 10 BECDMN CC[C@H]1CN(Cc2cccc(C)c2O)CCO1 ZINC000124525332 386635470 /nfs/dbraw/zinc/63/54/70/386635470.db2.gz SPDQYOSRJADPSJ-ZDUSSCGKSA-N 0 1 235.327 2.311 20 10 BECDMN C[C@@H](CF)NCc1ccc2c(c1)CCO2 ZINC000288369903 386760580 /nfs/dbraw/zinc/76/05/80/386760580.db2.gz FAEDIHRALCBDQR-VIFPVBQESA-N 0 1 209.264 2.069 20 10 BECDMN C[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134899065 388480513 /nfs/dbraw/zinc/48/05/13/388480513.db2.gz ISDZZYIPAOPAFZ-HTQZYQBOSA-N 0 1 229.707 2.077 20 10 BECDMN C[C@H]1OCCN(Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000093417622 177399816 /nfs/dbraw/zinc/39/98/16/177399816.db2.gz ODIYBPQUZMKDTA-CHWSQXEVSA-N 0 1 248.370 2.362 20 10 BECDMN CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H](C)O ZINC001652462812 1173086522 /nfs/dbraw/zinc/08/65/22/1173086522.db2.gz IOEFZCWSSDESIY-GZMMTYOYSA-N 0 1 243.734 2.295 20 10 BECDMN CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891577624 582697839 /nfs/dbraw/zinc/69/78/39/582697839.db2.gz DHLNHKHRMJYQSH-UHFFFAOYSA-N 0 1 239.315 2.251 20 10 BECDMN Cc1ccc(CN(C)Cc2ccccc2O)nn1 ZINC000840911092 583116204 /nfs/dbraw/zinc/11/62/04/583116204.db2.gz OTWPJEOQRAQQSA-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN COc1ccc(N(C)Cc2cnc[nH]2)cc1F ZINC000894429355 583456610 /nfs/dbraw/zinc/45/66/10/583456610.db2.gz GUKZMAPAMXVJHM-UHFFFAOYSA-N 0 1 235.262 2.194 20 10 BECDMN Cc1ccc(O)c(CN[C@@H](C)c2cnccn2)c1 ZINC000895392961 583664847 /nfs/dbraw/zinc/66/48/47/583664847.db2.gz XAYMGNXZIRXMBK-NSHDSACASA-N 0 1 243.310 2.341 20 10 BECDMN Cc1[nH]nc(CN2Cc3cccc(O)c3C2)c1C ZINC000895448985 583675810 /nfs/dbraw/zinc/67/58/10/583675810.db2.gz BAYJMZVUNKXYSD-UHFFFAOYSA-N 0 1 243.310 2.248 20 10 BECDMN Cc1cccc(O)c1CN1CC(OC(C)C)C1 ZINC000895954566 583752238 /nfs/dbraw/zinc/75/22/38/583752238.db2.gz AXRANEDHYAYSIN-UHFFFAOYSA-N 0 1 235.327 2.310 20 10 BECDMN C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745535 583993012 /nfs/dbraw/zinc/99/30/12/583993012.db2.gz ZYHVJBYRFRRUFQ-HTQZYQBOSA-N 0 1 229.707 2.077 20 10 BECDMN C[C@H](NCc1cc(F)ccc1O)c1ccn(C)n1 ZINC000839192512 585097410 /nfs/dbraw/zinc/09/74/10/585097410.db2.gz VEZLXQLGVMXUIY-VIFPVBQESA-N 0 1 249.289 2.116 20 10 BECDMN Cc1cccc(C[N@H+]2CCC[C@@H]2CCO)c1O ZINC000779201353 585746946 /nfs/dbraw/zinc/74/69/46/585746946.db2.gz DSNVDCPLPBLVRP-CYBMUJFWSA-N 0 1 235.327 2.047 20 10 BECDMN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000788268502 585920105 /nfs/dbraw/zinc/92/01/05/585920105.db2.gz DVSFCMQEYSFKQB-KCJUWKMLSA-N 0 1 241.718 2.001 20 10 BECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000788268502 585920106 /nfs/dbraw/zinc/92/01/06/585920106.db2.gz DVSFCMQEYSFKQB-KCJUWKMLSA-N 0 1 241.718 2.001 20 10 BECDMN [O-]c1c(C[NH2+][C@@H]2CCOC2)ccc2ccccc21 ZINC000816558319 586740861 /nfs/dbraw/zinc/74/08/61/586740861.db2.gz UPGAWIWWISDNQV-CYBMUJFWSA-N 0 1 243.306 2.424 20 10 BECDMN COC[C@@H]1CCN1Cc1cc(Cl)ccc1O ZINC000816637325 586746343 /nfs/dbraw/zinc/74/63/43/586746343.db2.gz ZUJFWVXTNPZAMH-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000816637325 586746345 /nfs/dbraw/zinc/74/63/45/586746345.db2.gz ZUJFWVXTNPZAMH-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN COC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000816637325 586746348 /nfs/dbraw/zinc/74/63/48/586746348.db2.gz ZUJFWVXTNPZAMH-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN Cc1ccc(O)c(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1 ZINC000817412092 586801945 /nfs/dbraw/zinc/80/19/45/586801945.db2.gz CUOVPQMIPAVMDU-QWHCGFSZSA-N 0 1 249.354 2.151 20 10 BECDMN COc1cc(O)c(CN2CC3(CC3)C2)cc1OC ZINC000824533908 587273706 /nfs/dbraw/zinc/27/37/06/587273706.db2.gz SCWYZGQYLKPHKS-UHFFFAOYSA-N 0 1 249.310 2.005 20 10 BECDMN CO[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1C ZINC000824815757 587288690 /nfs/dbraw/zinc/28/86/90/587288690.db2.gz YURFCAQSTNNFKR-BXUZGUMPSA-N 0 1 235.327 2.249 20 10 BECDMN CC1(C)C[C@@H](O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000825091320 587303621 /nfs/dbraw/zinc/30/36/21/587303621.db2.gz YCOGKQZSVDWXJD-ZDUSSCGKSA-N 0 1 249.354 2.375 20 10 BECDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000825091320 587303623 /nfs/dbraw/zinc/30/36/23/587303623.db2.gz YCOGKQZSVDWXJD-ZDUSSCGKSA-N 0 1 249.354 2.375 20 10 BECDMN Oc1ccccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134173 587306120 /nfs/dbraw/zinc/30/61/20/587306120.db2.gz WLANGSMTKNIBEM-OAHLLOKOSA-N 0 1 247.338 2.395 20 10 BECDMN Cc1cccc(C[N@H+](C)C2(CO)CCC2)c1O ZINC000827903410 587408922 /nfs/dbraw/zinc/40/89/22/587408922.db2.gz GZDQMONARPPSFP-UHFFFAOYSA-N 0 1 235.327 2.047 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CC[C@H](C)O)c(Cl)c1 ZINC000840896801 587928422 /nfs/dbraw/zinc/92/84/22/587928422.db2.gz GROYFVLJZUUNTF-VIFPVBQESA-N 0 1 243.734 2.215 20 10 BECDMN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H](C)N ZINC000841076591 587944419 /nfs/dbraw/zinc/94/44/19/587944419.db2.gz JORFGIJWBWDGDR-NKWVEPMBSA-N 0 1 246.713 2.010 20 10 BECDMN CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745117 587973482 /nfs/dbraw/zinc/97/34/82/587973482.db2.gz UQCDBNPNUUIQLY-SCZZXKLOSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745218 587973582 /nfs/dbraw/zinc/97/35/82/587973582.db2.gz OBBJSHYXIODPHX-HTQZYQBOSA-N 0 1 229.707 2.077 20 10 BECDMN C[C@@H]([NH2+][C@@H](C)CO)c1ccc(Cl)cc1[O-] ZINC000841755151 587974075 /nfs/dbraw/zinc/97/40/75/587974075.db2.gz OBBJSHYXIODPHX-JGVFFNPUSA-N 0 1 229.707 2.077 20 10 BECDMN C[C@@H](CCO)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000846111453 588257253 /nfs/dbraw/zinc/25/72/53/588257253.db2.gz PGEIAPCJCQUFMI-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](CCO)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000846111453 588257254 /nfs/dbraw/zinc/25/72/54/588257254.db2.gz PGEIAPCJCQUFMI-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000848902072 588418557 /nfs/dbraw/zinc/41/85/57/588418557.db2.gz JJWYVDBZCRCJIK-WCQYABFASA-N 0 1 249.354 2.157 20 10 BECDMN CCc1cccc(CN2CCOCC23CC3)c1O ZINC000848909637 588419292 /nfs/dbraw/zinc/41/92/92/588419292.db2.gz YPFSDVFRBNNOHN-UHFFFAOYSA-N 0 1 247.338 2.319 20 10 BECDMN C[C@@H]([NH2+]C/C=C/CO)c1ccc(Cl)cc1[O-] ZINC000850509784 588554668 /nfs/dbraw/zinc/55/46/68/588554668.db2.gz SNTFVHZAXCXZRC-GKQMSVHHSA-N 0 1 241.718 2.245 20 10 BECDMN CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000850527876 588557239 /nfs/dbraw/zinc/55/72/39/588557239.db2.gz CMZJOEXBQZCFHV-WCBMZHEXSA-N 0 1 243.734 2.467 20 10 BECDMN CC[C@@H](CCO)[NH2+]Cc1c([O-])cccc1Cl ZINC000123839416 589826419 /nfs/dbraw/zinc/82/64/19/589826419.db2.gz HISUHEFZADLLLR-VIFPVBQESA-N 0 1 243.734 2.296 20 10 BECDMN CC(C)[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000123928178 589861927 /nfs/dbraw/zinc/86/19/27/589861927.db2.gz HJGJEGNMXFPNAQ-LBPRGKRZSA-N 0 1 243.734 2.152 20 10 BECDMN Cc1ccc(CN(C)Cc2cnn(C)c2)c(O)c1 ZINC000876547880 590214095 /nfs/dbraw/zinc/21/40/95/590214095.db2.gz LRRKMSPEIFUZFI-UHFFFAOYSA-N 0 1 245.326 2.066 20 10 BECDMN CC[C@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC000876561322 590215906 /nfs/dbraw/zinc/21/59/06/590215906.db2.gz QYGZBQYSCCMNHY-ZDUSSCGKSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCO1 ZINC000876566870 590216899 /nfs/dbraw/zinc/21/68/99/590216899.db2.gz VUHUGFFZWFHSIC-GFCCVEGCSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000876752506 590237673 /nfs/dbraw/zinc/23/76/73/590237673.db2.gz RWVHFYWLPZGVFY-NSHDSACASA-N 0 1 235.327 2.169 20 10 BECDMN Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c(O)c1 ZINC000877170320 590295783 /nfs/dbraw/zinc/29/57/83/590295783.db2.gz MBXZPXSBGNLQEL-OLZOCXBDSA-N 0 1 249.354 2.293 20 10 BECDMN Cc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c(O)c1 ZINC000877407063 590324287 /nfs/dbraw/zinc/32/42/87/590324287.db2.gz MEYWLNFEZYYSJQ-QWHCGFSZSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(O)c1 ZINC000877407063 590324290 /nfs/dbraw/zinc/32/42/90/590324290.db2.gz MEYWLNFEZYYSJQ-QWHCGFSZSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000877553228 590355681 /nfs/dbraw/zinc/35/56/81/590355681.db2.gz YQKSWEIJMNVBLU-BETUJISGSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN[C@H]2CCn3ccnc32)c(O)c1 ZINC000877557935 590358590 /nfs/dbraw/zinc/35/85/90/590358590.db2.gz ZBUPZKHPNCJEEN-LBPRGKRZSA-N 0 1 243.310 2.132 20 10 BECDMN CCn1ccc(CNCc2c(C)cccc2O)n1 ZINC000877587036 590367705 /nfs/dbraw/zinc/36/77/05/590367705.db2.gz BSSOCLFMURAHFJ-UHFFFAOYSA-N 0 1 245.326 2.207 20 10 BECDMN Cc1ccc(CN[C@H](C)c2ccn(C)n2)c(O)c1 ZINC000877585138 590367840 /nfs/dbraw/zinc/36/78/40/590367840.db2.gz ANODIZWAWLCWQV-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN Cc1cccc(O)c1CN1CC2(C1)CCCO2 ZINC000877654155 590385331 /nfs/dbraw/zinc/38/53/31/590385331.db2.gz WECCZIHUOLZXTQ-UHFFFAOYSA-N 0 1 233.311 2.065 20 10 BECDMN CO[C@H](C[N@H+]1Cc2cccc(O)c2C1)C1CC1 ZINC000877702902 590395503 /nfs/dbraw/zinc/39/55/03/590395503.db2.gz JJKWAQBQZPVWQD-CQSZACIVSA-N 0 1 233.311 2.133 20 10 BECDMN Cn1ccc(CN2Cc3cccc(O)c3C2)c1 ZINC000877703170 590396439 /nfs/dbraw/zinc/39/64/39/590396439.db2.gz UOKOABUXRYKLJJ-UHFFFAOYSA-N 0 1 228.295 2.247 20 10 BECDMN CC[C@@H](NCc1ccn(C)n1)c1ccccc1O ZINC000213106879 591449053 /nfs/dbraw/zinc/44/90/53/591449053.db2.gz XXIKKDRYQRSDHO-CYBMUJFWSA-N 0 1 245.326 2.367 20 10 BECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCOCC1 ZINC000132726989 591733970 /nfs/dbraw/zinc/73/39/70/591733970.db2.gz ITYIODGGYJHOQW-UHFFFAOYSA-N 0 1 241.718 2.268 20 10 BECDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCOCC1 ZINC000132726989 591733971 /nfs/dbraw/zinc/73/39/71/591733971.db2.gz ITYIODGGYJHOQW-UHFFFAOYSA-N 0 1 241.718 2.268 20 10 BECDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000300045467 592501723 /nfs/dbraw/zinc/50/17/23/592501723.db2.gz LHARBENHAACHOE-SECBINFHSA-N 0 1 241.718 2.266 20 10 BECDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000300045467 592501724 /nfs/dbraw/zinc/50/17/24/592501724.db2.gz LHARBENHAACHOE-SECBINFHSA-N 0 1 241.718 2.266 20 10 BECDMN C[N@@H+](CCCCC(=O)[O-])Cc1ccccc1O ZINC000719393336 597794518 /nfs/dbraw/zinc/79/45/18/597794518.db2.gz IHSDINABJDBRBQ-UHFFFAOYSA-N 0 1 237.299 2.079 20 10 BECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1CO ZINC000092470848 631555885 /nfs/dbraw/zinc/55/58/85/631555885.db2.gz LRQLQFALFDCLBE-LLVKDONJSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000092470848 631555891 /nfs/dbraw/zinc/55/58/91/631555891.db2.gz LRQLQFALFDCLBE-LLVKDONJSA-N 0 1 241.718 2.002 20 10 BECDMN C[C@H](C[C@H](C)O)[NH2+]Cc1c([O-])cccc1Cl ZINC000164559734 633079391 /nfs/dbraw/zinc/07/93/91/633079391.db2.gz JGYTWVXJDUFRLL-BDAKNGLRSA-N 0 1 243.734 2.295 20 10 BECDMN C[C@@H](CF)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000308519601 633745151 /nfs/dbraw/zinc/74/51/51/633745151.db2.gz QSRYJTNAFFEHFD-ZETCQYMHSA-N 0 1 217.671 2.493 20 10 BECDMN COCC1C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000895970055 636185574 /nfs/dbraw/zinc/18/55/74/636185574.db2.gz AQTMTCRQQUIBDI-UHFFFAOYSA-N 0 1 241.718 2.124 20 10 BECDMN Cc1cc(CNCc2cc(F)ccc2O)on1 ZINC000226619610 640779929 /nfs/dbraw/zinc/77/99/29/640779929.db2.gz QUSDZBHKOLPELA-UHFFFAOYSA-N 0 1 236.246 2.118 20 10 BECDMN CC[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000077453730 641858565 /nfs/dbraw/zinc/85/85/65/641858565.db2.gz STIBYNBGQADUCH-NSHDSACASA-N 0 1 243.734 2.296 20 10 BECDMN C[C@@H](O)CC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000093481416 644692325 /nfs/dbraw/zinc/69/23/25/644692325.db2.gz CUEBHKNLJLSEGA-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000093481416 644692328 /nfs/dbraw/zinc/69/23/28/644692328.db2.gz CUEBHKNLJLSEGA-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN Oc1ccc(Cl)c(F)c1CN1CC(F)C1 ZINC000792173827 644793926 /nfs/dbraw/zinc/79/39/26/644793926.db2.gz KJKTXMJTIQZBNM-UHFFFAOYSA-N 0 1 233.645 2.338 20 10 BECDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Cl)[C@@H](C)O ZINC000386748876 711035816 /nfs/dbraw/zinc/03/58/16/711035816.db2.gz GAMFWUPUPPDPJU-KCJUWKMLSA-N 0 1 243.734 2.295 20 10 BECDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](C)O ZINC000395294841 711207066 /nfs/dbraw/zinc/20/70/66/711207066.db2.gz DAEBPFSINKZYIQ-GZMMTYOYSA-N 0 1 243.734 2.295 20 10 BECDMN Cc1nnc([C@@H](C)N[C@@H](C)c2ccccc2O)[nH]1 ZINC000392453177 711148508 /nfs/dbraw/zinc/14/85/08/711148508.db2.gz HROGNEVVVRFLKR-DTWKUNHWSA-N 0 1 246.314 2.231 20 10 BECDMN Cc1cn(C)nc1CN[C@H](C)c1ccccc1O ZINC000723486691 711512735 /nfs/dbraw/zinc/51/27/35/711512735.db2.gz HAFVRESMRNZJHV-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000382311080 711659262 /nfs/dbraw/zinc/65/92/62/711659262.db2.gz QAJWTUTYIOFZIQ-NYRNMGCKSA-N 0 1 241.718 2.220 20 10 BECDMN C[C@@H](NCc1cc(F)cc(F)c1O)C(F)F ZINC000708515910 712212058 /nfs/dbraw/zinc/21/20/58/712212058.db2.gz AGXPURUVRKJYPE-RXMQYKEDSA-N 0 1 237.196 2.414 20 10 BECDMN CC(C)n1ccnc1CNCc1ccccc1O ZINC000710324852 712251995 /nfs/dbraw/zinc/25/19/95/712251995.db2.gz JHDDILUQPSTYGI-UHFFFAOYSA-N 0 1 245.326 2.459 20 10 BECDMN Oc1ccc(C[N@H+]2CCC3(CC3)C2)c(O)c1 ZINC001204276609 966956575 /nfs/dbraw/zinc/95/65/75/966956575.db2.gz OKLCAHLQMWJZQM-UHFFFAOYSA-N 0 1 219.284 2.084 20 10 BECDMN CN(Cc1cc(Cl)cc(F)c1O)C1COC1 ZINC001237619990 979978752 /nfs/dbraw/zinc/97/87/52/979978752.db2.gz HKBHFPDJWHANKC-UHFFFAOYSA-N 0 1 245.681 2.015 20 10 BECDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1COC1 ZINC001237619990 979978756 /nfs/dbraw/zinc/97/87/56/979978756.db2.gz HKBHFPDJWHANKC-UHFFFAOYSA-N 0 1 245.681 2.015 20 10 BECDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1COC1 ZINC001237619990 979978761 /nfs/dbraw/zinc/97/87/61/979978761.db2.gz HKBHFPDJWHANKC-UHFFFAOYSA-N 0 1 245.681 2.015 20 10 BECDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CO1 ZINC000402217286 970770344 /nfs/dbraw/zinc/77/03/44/970770344.db2.gz MVGZYIMWAYNHAS-GZMMTYOYSA-N 0 1 241.718 2.313 20 10 BECDMN COC(C)(C)C[N@@H+](C)Cc1ccccc1O ZINC000404267120 971154825 /nfs/dbraw/zinc/15/48/25/971154825.db2.gz WBPZRKCLBXQJSF-UHFFFAOYSA-N 0 1 223.316 2.249 20 10 BECDMN C[N@@H+](Cc1cnco1)Cc1ccccc1O ZINC001140933934 960717135 /nfs/dbraw/zinc/71/71/35/960717135.db2.gz NFWSKMIXNNVZRC-UHFFFAOYSA-N 0 1 218.256 2.012 20 10 BECDMN CN(Cc1cnco1)Cc1ccccc1O ZINC001140933934 960717139 /nfs/dbraw/zinc/71/71/39/960717139.db2.gz NFWSKMIXNNVZRC-UHFFFAOYSA-N 0 1 218.256 2.012 20 10 BECDMN Cc1ccc(CN2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001140954763 960763372 /nfs/dbraw/zinc/76/33/72/960763372.db2.gz YIKFXUUZCIBWEN-CHWSQXEVSA-N 0 1 233.311 2.064 20 10 BECDMN Oc1c(CN2C[C@@H](F)[C@@H](F)C2)ccc(F)c1F ZINC000714557974 964099658 /nfs/dbraw/zinc/09/96/58/964099658.db2.gz JSUAGDCMLVOZGE-DTORHVGOSA-N 0 1 249.207 2.162 20 10 BECDMN C[C@H]1CC[N@H+](Cc2ccccc2[O-])CC[C@@]1(C)O ZINC001203550364 966679192 /nfs/dbraw/zinc/67/91/92/966679192.db2.gz TWQILBFSKIMRGC-SWLSCSKDSA-N 0 1 249.354 2.375 20 10 BECDMN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])CC[C@@]1(C)O ZINC001203550364 966679205 /nfs/dbraw/zinc/67/92/05/966679205.db2.gz TWQILBFSKIMRGC-SWLSCSKDSA-N 0 1 249.354 2.375 20 10 BECDMN C[C@@]1(CO)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC001203550554 966679791 /nfs/dbraw/zinc/67/97/91/966679791.db2.gz ZCHPWNKVNIDMDO-OAHLLOKOSA-N 0 1 249.354 2.377 20 10 BECDMN C[C@@]1(CO)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC001203550554 966679806 /nfs/dbraw/zinc/67/98/06/966679806.db2.gz ZCHPWNKVNIDMDO-OAHLLOKOSA-N 0 1 249.354 2.377 20 10 BECDMN Oc1ccccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001203556018 966691340 /nfs/dbraw/zinc/69/13/40/966691340.db2.gz IQMRDVPNYOAJKU-CQSZACIVSA-N 0 1 233.311 2.147 20 10 BECDMN COc1cccc(CN2C[C@@H](F)C[C@H]2C)c1O ZINC001203586137 966699985 /nfs/dbraw/zinc/69/99/85/966699985.db2.gz ZJSBSANMCFKDTF-KOLCDFICSA-N 0 1 239.290 2.333 20 10 BECDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1COC1 ZINC001203664297 966731428 /nfs/dbraw/zinc/73/14/28/966731428.db2.gz WVHGUFXTLFOTCW-UHFFFAOYSA-N 0 1 241.718 2.124 20 10 BECDMN C[N@H+](Cc1cc(Cl)ccc1[O-])CC1COC1 ZINC001203664297 966731443 /nfs/dbraw/zinc/73/14/43/966731443.db2.gz WVHGUFXTLFOTCW-UHFFFAOYSA-N 0 1 241.718 2.124 20 10 BECDMN C[C@@H]1C[C@H](F)CN1Cc1ccc(O)cc1O ZINC001204276793 966959461 /nfs/dbraw/zinc/95/94/61/966959461.db2.gz RLQLBNXIKVTMOR-SCZZXKLOSA-N 0 1 225.263 2.030 20 10 BECDMN Oc1cccc(Nc2ccc3cncn3c2)c1O ZINC001250328227 967709460 /nfs/dbraw/zinc/70/94/60/967709460.db2.gz IVTFDIYWLUWUFC-UHFFFAOYSA-N 0 1 241.250 2.489 20 10 BECDMN CN(Cc1cnoc1)Cc1ccccc1O ZINC001205724736 967804334 /nfs/dbraw/zinc/80/43/34/967804334.db2.gz YGUFMMAVJNWTBR-UHFFFAOYSA-N 0 1 218.256 2.012 20 10 BECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137832581 967829841 /nfs/dbraw/zinc/82/98/41/967829841.db2.gz ABUPVYPMEFFYFT-SECBINFHSA-N 0 1 209.264 2.373 20 10 BECDMN C[C@H](O)C1([NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001206743439 968451836 /nfs/dbraw/zinc/45/18/36/968451836.db2.gz SVYJQKJMLXUXIV-QMMMGPOBSA-N 0 1 241.718 2.049 20 10 BECDMN Oc1cccc2c1CN(Cc1cncs1)CC2 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20 10 BECDMN CCc1cccc(CN2CCO[C@@H](C)C2)c1O ZINC000692110486 985410599 /nfs/dbraw/zinc/41/05/99/985410599.db2.gz XDSKPBDBUPMCQP-NSHDSACASA-N 0 1 235.327 2.175 20 10 BECDMN C[N@H+](Cc1c([O-])cccc1F)CC1CC1 ZINC001137831540 990853649 /nfs/dbraw/zinc/85/36/49/990853649.db2.gz DIZIRZMVFPFDQE-UHFFFAOYSA-N 0 1 209.264 2.373 20 10 BECDMN COC[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137831927 990855526 /nfs/dbraw/zinc/85/55/26/990855526.db2.gz SPIIEFUDWVOKHQ-JTQLQIEISA-N 0 1 239.290 2.142 20 10 BECDMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(F)c1[O-] ZINC001138122521 990883946 /nfs/dbraw/zinc/88/39/46/990883946.db2.gz KTAXPYWZMJNXAH-SCZZXKLOSA-N 0 1 227.254 2.464 20 10 BECDMN [O-]c1c(F)cccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001138129433 990886005 /nfs/dbraw/zinc/88/60/05/990886005.db2.gz CHAQRWBLVKXAJC-RTCCRHLQSA-N 0 1 239.265 2.179 20 10 BECDMN CC[N@H+](Cc1ccc(Cl)cc1[O-])[C@H](C)CO ZINC001308795608 991134462 /nfs/dbraw/zinc/13/44/62/991134462.db2.gz NRSRLEQOKFVVCA-SECBINFHSA-N 0 1 243.734 2.248 20 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BECDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](O)CC2)cc1C ZINC000293993758 178195203 /nfs/dbraw/zinc/19/52/03/178195203.db2.gz LVJXPPLDLLPUJE-CQSZACIVSA-N 0 1 249.354 2.356 20 10 BECDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](CO)C2)cc1C ZINC000154579586 178195512 /nfs/dbraw/zinc/19/55/12/178195512.db2.gz BNNFIXACZIEAHF-ZDUSSCGKSA-N 0 1 249.354 2.213 20 10 BECDMN COC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019904850 342962575 /nfs/dbraw/zinc/96/25/75/342962575.db2.gz JVYSEYIOHXBDPQ-QMMMGPOBSA-N 0 1 229.707 2.170 20 10 BECDMN CCN(Cc1n[nH]c(C)n1)c1ccc(OC)cc1 ZINC000292632651 352325799 /nfs/dbraw/zinc/32/57/99/352325799.db2.gz YWLFUAOGMQURKZ-UHFFFAOYSA-N 0 1 246.314 2.148 20 10 BECDMN C[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618463 384308522 /nfs/dbraw/zinc/30/85/22/384308522.db2.gz WSNYXCBCLVAULI-ZJUUUORDSA-N 0 1 241.306 2.200 20 10 BECDMN Cc1ccc(O)c(CN(C)Cc2cnn(C)c2)c1 ZINC000119720735 384300019 /nfs/dbraw/zinc/30/00/19/384300019.db2.gz NSBZDJKVUVRYBB-UHFFFAOYSA-N 0 1 245.326 2.066 20 10 BECDMN C[C@H](CCCO)[NH2+]Cc1c([O-])cccc1Cl ZINC000095016430 384327510 /nfs/dbraw/zinc/32/75/10/384327510.db2.gz CMDPQNBUJRBZHE-SECBINFHSA-N 0 1 243.734 2.296 20 10 BECDMN COC[C@H](NCc1ccccc1O)c1ccco1 ZINC000177572037 385264207 /nfs/dbraw/zinc/26/42/07/385264207.db2.gz OFNANHVLCFJEJL-LBPRGKRZSA-N 0 1 247.294 2.463 20 10 BECDMN Oc1c(Cl)cccc1CN1CCO[C@H]2C[C@H]21 ZINC000366563166 385637885 /nfs/dbraw/zinc/63/78/85/385637885.db2.gz XONASYUDGSNPJM-MNOVXSKESA-N 0 1 239.702 2.019 20 10 BECDMN C[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)O ZINC000271841892 385854499 /nfs/dbraw/zinc/85/44/99/385854499.db2.gz QKIRTJWCJOAJCM-UHFFFAOYSA-N 0 1 243.734 2.248 20 10 BECDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCSC1 ZINC000272301712 385891969 /nfs/dbraw/zinc/89/19/69/385891969.db2.gz PUOZWUWXJOSTQY-SNVBAGLBSA-N 0 1 241.331 2.469 20 10 BECDMN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000295849257 386708835 /nfs/dbraw/zinc/70/88/35/386708835.db2.gz DUXIOKNSDLRWAR-QNSHHTMESA-N 0 1 241.718 2.220 20 10 BECDMN COC[C@@H]1CC[N@H+]1Cc1c(O)cccc1Cl ZINC000293583885 386842686 /nfs/dbraw/zinc/84/26/86/386842686.db2.gz HXCPKTWEGDMACV-VIFPVBQESA-N 0 1 241.718 2.266 20 10 BECDMN COC[C@@H]1CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000293583885 386842697 /nfs/dbraw/zinc/84/26/97/386842697.db2.gz HXCPKTWEGDMACV-VIFPVBQESA-N 0 1 241.718 2.266 20 10 BECDMN COC[C@H]1CC[N@H+]1Cc1c(O)cccc1Cl ZINC000293583881 386844191 /nfs/dbraw/zinc/84/41/91/386844191.db2.gz HXCPKTWEGDMACV-SECBINFHSA-N 0 1 241.718 2.266 20 10 BECDMN COC[C@H]1CC[N@H+]1Cc1c([O-])cccc1Cl ZINC000293583881 386844193 /nfs/dbraw/zinc/84/41/93/386844193.db2.gz HXCPKTWEGDMACV-SECBINFHSA-N 0 1 241.718 2.266 20 10 BECDMN CC1(C[NH2+]Cc2c([O-])cccc2Cl)COC1 ZINC000083552554 168042877 /nfs/dbraw/zinc/04/28/77/168042877.db2.gz YHOKDYKSGFEZEB-UHFFFAOYSA-N 0 1 241.718 2.172 20 10 BECDMN COCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551236 174246761 /nfs/dbraw/zinc/24/67/61/174246761.db2.gz AJCKNKHUYHJMSA-UHFFFAOYSA-N 0 1 229.707 2.172 20 10 BECDMN C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000165415914 176176579 /nfs/dbraw/zinc/17/65/79/176176579.db2.gz IHEOYTWUJMZCDT-SECBINFHSA-N 0 1 209.264 2.373 20 10 BECDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000160234624 176305755 /nfs/dbraw/zinc/30/57/55/176305755.db2.gz GXRHUIOCUKLJAM-SNVBAGLBSA-N 0 1 239.290 2.142 20 10 BECDMN C[C@H](c1cnccn1)N(C)Cc1ccccc1O ZINC000184654867 177050840 /nfs/dbraw/zinc/05/08/40/177050840.db2.gz SGVQILPCPATLCR-LLVKDONJSA-N 0 1 243.310 2.375 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)O)c(Cl)c1 ZINC000840898148 583056046 /nfs/dbraw/zinc/05/60/46/583056046.db2.gz UUXSSLDXOYNVJC-UHFFFAOYSA-N 0 1 243.734 2.215 20 10 BECDMN Cc1ccc(O)c(CN[C@H](C)c2cnccn2)c1 ZINC000895392960 583664902 /nfs/dbraw/zinc/66/49/02/583664902.db2.gz XAYMGNXZIRXMBK-LLVKDONJSA-N 0 1 243.310 2.341 20 10 BECDMN Cc1cccc(CN(C)Cc2cn[nH]c2)c1O ZINC000775700253 585683299 /nfs/dbraw/zinc/68/32/99/585683299.db2.gz LHBQRETXMSUOOI-UHFFFAOYSA-N 0 1 231.299 2.056 20 10 BECDMN O=C(Nc1ccccc1)c1c(F)ccc(O)c1O ZINC000789941406 585954362 /nfs/dbraw/zinc/95/43/62/585954362.db2.gz GZZACIIWWGWLFB-UHFFFAOYSA-N 0 1 247.225 2.489 20 10 BECDMN CC1C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000802651088 586308077 /nfs/dbraw/zinc/30/80/77/586308077.db2.gz IONFFKIWXUGGSZ-UHFFFAOYSA-N 0 1 211.692 2.497 20 10 BECDMN CC[C@@H]([NH2+]C1CNC1)c1cccc(Cl)c1[O-] ZINC000817955805 586849956 /nfs/dbraw/zinc/84/99/56/586849956.db2.gz IEVDLTYLIXMNKK-LLVKDONJSA-N 0 1 240.734 2.058 20 10 BECDMN CC[C@H](CO)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000824534067 587274560 /nfs/dbraw/zinc/27/45/60/587274560.db2.gz ZKYYPODDANCATM-SNVBAGLBSA-N 0 1 243.734 2.248 20 10 BECDMN CCOc1ccc(CN2CC[C@H](F)C2)c(O)c1 ZINC000824571044 587276935 /nfs/dbraw/zinc/27/69/35/587276935.db2.gz HRUPRCQMNZSBRZ-NSHDSACASA-N 0 1 239.290 2.335 20 10 BECDMN CCOCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825421633 587318782 /nfs/dbraw/zinc/31/87/82/587318782.db2.gz FIMSOVWYUOYRQG-UHFFFAOYSA-N 0 1 243.734 2.480 20 10 BECDMN Cc1cc([O-])c(C[N@H+](C)CCCO)cc1Cl ZINC000825774295 587338338 /nfs/dbraw/zinc/33/83/38/587338338.db2.gz VXGGNIHFOHXUML-UHFFFAOYSA-N 0 1 243.734 2.168 20 10 BECDMN Cc1cc([O-])c(C[N@@H+](C)CCCO)cc1Cl ZINC000825774295 587338340 /nfs/dbraw/zinc/33/83/40/587338340.db2.gz VXGGNIHFOHXUML-UHFFFAOYSA-N 0 1 243.734 2.168 20 10 BECDMN Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000827700664 587397443 /nfs/dbraw/zinc/39/74/43/587397443.db2.gz WOAMURYYSCYKAY-IUODEOHRSA-N 0 1 249.354 2.151 20 10 BECDMN Cc1cccc(CN[C@@H](C)c2nccn2C)c1O ZINC000827722736 587399247 /nfs/dbraw/zinc/39/92/47/587399247.db2.gz SWKOKEJCRMCELF-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CC[C@@H](C)O)c(Cl)c1 ZINC000840896800 587928485 /nfs/dbraw/zinc/92/84/85/587928485.db2.gz GROYFVLJZUUNTF-SECBINFHSA-N 0 1 243.734 2.215 20 10 BECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC2)c(Cl)c1 ZINC000840908705 587929676 /nfs/dbraw/zinc/92/96/76/587929676.db2.gz YRFVFSNEATXPHI-VIFPVBQESA-N 0 1 241.718 2.233 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CCF)c(Cl)c1 ZINC000840942586 587931371 /nfs/dbraw/zinc/93/13/71/587931371.db2.gz IPRIRHSQBKNDIU-UHFFFAOYSA-N 0 1 217.671 2.413 20 10 BECDMN Cc1cc(O)c(CNCCF)c(Cl)c1 ZINC000840942586 587931373 /nfs/dbraw/zinc/93/13/73/587931373.db2.gz IPRIRHSQBKNDIU-UHFFFAOYSA-N 0 1 217.671 2.413 20 10 BECDMN C[C@H](N)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841076590 587944167 /nfs/dbraw/zinc/94/41/67/587944167.db2.gz JORFGIJWBWDGDR-BQBZGAKWSA-N 0 1 246.713 2.010 20 10 BECDMN COCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744544 587973459 /nfs/dbraw/zinc/97/34/59/587973459.db2.gz PPFBMBSUNSTZDP-MRVPVSSYSA-N 0 1 229.707 2.343 20 10 BECDMN COc1cccc(O)c1CN1CCC[C@H](F)C1 ZINC000846120212 588258065 /nfs/dbraw/zinc/25/80/65/588258065.db2.gz MUKWABFEZYOXEI-JTQLQIEISA-N 0 1 239.290 2.335 20 10 BECDMN COc1cccc(O)c1CN1CCC[C@@H](F)C1 ZINC000846120214 588258144 /nfs/dbraw/zinc/25/81/44/588258144.db2.gz MUKWABFEZYOXEI-SNVBAGLBSA-N 0 1 239.290 2.335 20 10 BECDMN C[C@H]([NH2+]C/C=C/CO)c1cc(Cl)ccc1[O-] ZINC000850507198 588553581 /nfs/dbraw/zinc/55/35/81/588553581.db2.gz DTPBJBXDRVWNNL-HPOULIHZSA-N 0 1 241.718 2.245 20 10 BECDMN Cc1cc([O-])c(C[NH2+]CC2COC2)cc1Cl ZINC000862532283 589218435 /nfs/dbraw/zinc/21/84/35/589218435.db2.gz VWQLGNXYGRZLHN-UHFFFAOYSA-N 0 1 241.718 2.090 20 10 BECDMN Cc1cccc(O)c1C[N@@H+]1CCCOC[C@@H]1C ZINC000876751972 590237950 /nfs/dbraw/zinc/23/79/50/590237950.db2.gz CEECMMOEVBNPPH-LBPRGKRZSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c(O)c1 ZINC000877409686 590323721 /nfs/dbraw/zinc/32/37/21/590323721.db2.gz XZEXVQYYXKPBCQ-CHWSQXEVSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c(O)c1 ZINC000877409686 590323722 /nfs/dbraw/zinc/32/37/22/590323722.db2.gz XZEXVQYYXKPBCQ-CHWSQXEVSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(O)c1 ZINC000877407064 590323938 /nfs/dbraw/zinc/32/39/38/590323938.db2.gz MEYWLNFEZYYSJQ-STQMWFEESA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c(O)c1 ZINC000877407064 590323941 /nfs/dbraw/zinc/32/39/41/590323941.db2.gz MEYWLNFEZYYSJQ-STQMWFEESA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c(O)c1 ZINC000877591610 590369253 /nfs/dbraw/zinc/36/92/53/590369253.db2.gz HCARICPRXCIELE-TZMCWYRMSA-N 0 1 249.354 2.293 20 10 BECDMN Cc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c(O)c1 ZINC000877631939 590378414 /nfs/dbraw/zinc/37/84/14/590378414.db2.gz WTEHUDNVKPKOPF-DZGCQCFKSA-N 0 1 247.338 2.169 20 10 BECDMN Cc1cccc(O)c1CN[C@@H](C)c1nccn1C ZINC000877639938 590381517 /nfs/dbraw/zinc/38/15/17/590381517.db2.gz HAFDEWTZTXFOAE-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(O)CC1 ZINC000128062308 590886378 /nfs/dbraw/zinc/88/63/78/590886378.db2.gz NFJFCYDNWAMYHK-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN C[C@@H](NCc1ccccc1O)c1cnccn1 ZINC000130432124 591467934 /nfs/dbraw/zinc/46/79/34/591467934.db2.gz RTBHBEVIYLZYTB-SNVBAGLBSA-N 0 1 229.283 2.033 20 10 BECDMN CC[C@H](O)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000131707247 591643978 /nfs/dbraw/zinc/64/39/78/591643978.db2.gz OQDIACVAZMIUGS-NSHDSACASA-N 0 1 243.734 2.296 20 10 BECDMN C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000077423894 641855917 /nfs/dbraw/zinc/85/59/17/641855917.db2.gz VVCWZOVBGNMUGF-DTWKUNHWSA-N 0 1 243.734 2.152 20 10 BECDMN CC[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070899079 643080072 /nfs/dbraw/zinc/08/00/72/643080072.db2.gz FFTMWEWMHJEBEA-LBPRGKRZSA-N 0 1 243.734 2.296 20 10 BECDMN Cc1ccc(O)c([C@H](C)NCc2nccn2C)c1 ZINC000071273192 643114454 /nfs/dbraw/zinc/11/44/54/643114454.db2.gz ATDVFEREYKYICP-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000086814582 644470814 /nfs/dbraw/zinc/47/08/14/644470814.db2.gz XDQGIOWDEVSSQA-LBPRGKRZSA-N 0 1 249.310 2.221 20 10 BECDMN CN(C)c1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000091917240 644641998 /nfs/dbraw/zinc/64/19/98/644641998.db2.gz IDPWGURLXALGNF-UHFFFAOYSA-N 0 1 248.370 2.363 20 10 BECDMN COc1cc(CN2CC[C@H](F)C2)c(O)cc1C ZINC000840105033 644866265 /nfs/dbraw/zinc/86/62/65/644866265.db2.gz WPKCUOWQOLVRJA-NSHDSACASA-N 0 1 239.290 2.253 20 10 BECDMN Cc1nc(C)c(CN(C)Cc2ccccc2O)[nH]1 ZINC000929974743 646381367 /nfs/dbraw/zinc/38/13/67/646381367.db2.gz ADTAIMANTZPUIA-UHFFFAOYSA-N 0 1 245.326 2.364 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+]CCOCCF ZINC000705766571 712137218 /nfs/dbraw/zinc/13/72/18/712137218.db2.gz ZFHRUSXJBVWXPR-UHFFFAOYSA-N 0 1 247.697 2.121 20 10 BECDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708415629 712193505 /nfs/dbraw/zinc/19/35/05/712193505.db2.gz ZZPLZNXAXXDTGU-QMMMGPOBSA-N 0 1 245.269 2.137 20 10 BECDMN CC(F)(F)CNCc1cc(F)cc(F)c1O ZINC000708502696 712212073 /nfs/dbraw/zinc/21/20/73/712212073.db2.gz MRMSHFKUYSFLOR-UHFFFAOYSA-N 0 1 237.196 2.415 20 10 BECDMN CC1C[NH+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140460986 958494339 /nfs/dbraw/zinc/49/43/39/958494339.db2.gz AHIGDKYNRKROJM-UHFFFAOYSA-N 0 1 211.692 2.497 20 10 BECDMN C[C@H]1CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685726 961244928 /nfs/dbraw/zinc/24/49/28/961244928.db2.gz VCCXHBNVPDQQST-ZETCQYMHSA-N 0 1 213.227 2.265 20 10 BECDMN C[C@H](NCc1cnns1)c1ccccc1O ZINC000400227258 970562814 /nfs/dbraw/zinc/56/28/14/970562814.db2.gz MMCJOCRCYCASOU-QMMMGPOBSA-N 0 1 235.312 2.095 20 10 BECDMN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CO1 ZINC000402241372 970776008 /nfs/dbraw/zinc/77/60/08/970776008.db2.gz YBWZPHJCTHZASL-IUCAKERBSA-N 0 1 241.718 2.313 20 10 BECDMN C[C@H]([NH2+]CCCC(=O)[O-])c1ccc(F)cc1O ZINC000062747628 948953995 /nfs/dbraw/zinc/95/39/95/948953995.db2.gz UQQRJKOZAYTIQS-QMMMGPOBSA-N 0 1 241.262 2.047 20 10 BECDMN CC[N@H+](Cc1ccccc1[O-])C1CCN(C)CC1 ZINC001203555859 966676540 /nfs/dbraw/zinc/67/65/40/966676540.db2.gz HSBLIAWXZOVTEZ-UHFFFAOYSA-N 0 1 248.370 2.308 20 10 BECDMN CC[N@@H+](Cc1ccccc1[O-])C1CCN(C)CC1 ZINC001203555859 966676550 /nfs/dbraw/zinc/67/65/50/966676550.db2.gz HSBLIAWXZOVTEZ-UHFFFAOYSA-N 0 1 248.370 2.308 20 10 BECDMN C[C@]1(CO)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC001203550553 966681234 /nfs/dbraw/zinc/68/12/34/966681234.db2.gz ZCHPWNKVNIDMDO-HNNXBMFYSA-N 0 1 249.354 2.377 20 10 BECDMN C[C@]1(CO)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC001203550553 966681245 /nfs/dbraw/zinc/68/12/45/966681245.db2.gz ZCHPWNKVNIDMDO-HNNXBMFYSA-N 0 1 249.354 2.377 20 10 BECDMN C[C@H]1CC[N@H+](Cc2ccccc2[O-])CC[C@]1(C)O ZINC001203550365 966681971 /nfs/dbraw/zinc/68/19/71/966681971.db2.gz TWQILBFSKIMRGC-WFASDCNBSA-N 0 1 249.354 2.375 20 10 BECDMN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])CC[C@]1(C)O ZINC001203550365 966681991 /nfs/dbraw/zinc/68/19/91/966681991.db2.gz TWQILBFSKIMRGC-WFASDCNBSA-N 0 1 249.354 2.375 20 10 BECDMN COc1cccc(CN2C[C@H](F)C[C@H]2C)c1O ZINC001203586138 966701435 /nfs/dbraw/zinc/70/14/35/966701435.db2.gz ZJSBSANMCFKDTF-MWLCHTKSSA-N 0 1 239.290 2.333 20 10 BECDMN COc1cc(CN2CCC[C@H]3C[C@H]32)cc(O)c1O ZINC001204349083 966977268 /nfs/dbraw/zinc/97/72/68/966977268.db2.gz OJUVYWGRLZVEGK-WDEREUQCSA-N 0 1 249.310 2.091 20 10 BECDMN COc1cnccc1Nc1c(O)cccc1F ZINC001211260929 970208424 /nfs/dbraw/zinc/20/84/24/970208424.db2.gz TZQWYELUSMZINB-UHFFFAOYSA-N 0 1 234.230 2.100 20 10 BECDMN Cc1ccc(C[N@H+]2CCC[C@@](C)(CO)C2)c(O)c1 ZINC001332975966 975349427 /nfs/dbraw/zinc/34/94/27/975349427.db2.gz MKFVRXQDTZBDKX-OAHLLOKOSA-N 0 1 249.354 2.295 20 10 BECDMN Oc1cc(F)c(F)cc1Nc1ccncc1 ZINC001173883718 975951998 /nfs/dbraw/zinc/95/19/98/975951998.db2.gz XTLOIBKTIARLIV-UHFFFAOYSA-N 0 1 222.194 2.231 20 10 BECDMN C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231559454 977628523 /nfs/dbraw/zinc/62/85/23/977628523.db2.gz FESKHLLVSZWAMC-SNVBAGLBSA-N 0 1 249.310 2.465 20 10 BECDMN C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231559453 977628566 /nfs/dbraw/zinc/62/85/66/977628566.db2.gz FESKHLLVSZWAMC-JTQLQIEISA-N 0 1 249.310 2.465 20 10 BECDMN CCC[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1O ZINC001231559892 977629449 /nfs/dbraw/zinc/62/94/49/977629449.db2.gz KIYNASXVYFWYCH-UHFFFAOYSA-N 0 1 237.299 2.322 20 10 BECDMN C[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231561495 977635734 /nfs/dbraw/zinc/63/57/34/977635734.db2.gz VKWRJNZUCUGIAR-SECBINFHSA-N 0 1 235.283 2.075 20 10 BECDMN C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231561994 977635937 /nfs/dbraw/zinc/63/59/37/977635937.db2.gz YPTKKGJIBRPGMP-JTQLQIEISA-N 0 1 249.310 2.322 20 10 BECDMN CN(Cc1ccc2ccccc2c1O)C1COC1 ZINC001231881803 977786000 /nfs/dbraw/zinc/78/60/00/977786000.db2.gz IFQPTKGIZJCVCG-UHFFFAOYSA-N 0 1 243.306 2.376 20 10 BECDMN O=C([O-])c1cc[nH+]c(NCc2ccccc2O)c1 ZINC001595265635 978010782 /nfs/dbraw/zinc/01/07/82/978010782.db2.gz WADXPHMDJVSFOF-UHFFFAOYSA-N 0 1 244.250 2.098 20 10 BECDMN C[C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233008792 978409900 /nfs/dbraw/zinc/40/99/00/978409900.db2.gz HHZCVESTLFKOMC-SECBINFHSA-N 0 1 237.299 2.035 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC001600543422 978700035 /nfs/dbraw/zinc/70/00/35/978700035.db2.gz VUSROONBPGKUBQ-LLVKDONJSA-N 0 1 249.310 2.140 20 10 BECDMN C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccc(F)cc1O ZINC001603134459 979386966 /nfs/dbraw/zinc/38/69/66/979386966.db2.gz RVJXDDPIGHJUAQ-YUMQZZPRSA-N 0 1 241.262 2.045 20 10 BECDMN Cc1cccc(O)c1CN1CCC(=O)[C@@H](C)C1 ZINC001237486260 979908157 /nfs/dbraw/zinc/90/81/57/979908157.db2.gz ZTXBMPHUQZCKBY-NSHDSACASA-N 0 1 233.311 2.112 20 10 BECDMN Cc1cccc(O)c1C[N@H+](C)C1CCOCC1 ZINC001237483722 979911603 /nfs/dbraw/zinc/91/16/03/979911603.db2.gz RTQUKWWNJUBGQG-UHFFFAOYSA-N 0 1 235.327 2.311 20 10 BECDMN COC[C@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC001237482667 979911926 /nfs/dbraw/zinc/91/19/26/979911926.db2.gz NFJXKNQZHRREQD-GFCCVEGCSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1cccc(O)c1CN1CCOCC12CC2 ZINC001237491623 979916948 /nfs/dbraw/zinc/91/69/48/979916948.db2.gz KOPDIRQOTFNOCS-UHFFFAOYSA-N 0 1 233.311 2.065 20 10 BECDMN COc1ccc(N(C)Cc2cc(C)[nH]n2)cc1 ZINC001346197732 980783024 /nfs/dbraw/zinc/78/30/24/980783024.db2.gz WIZWWMFZJSYQHQ-UHFFFAOYSA-N 0 1 231.299 2.363 20 10 BECDMN [O-]c1cc(Br)ccc1C[NH2+]CCF ZINC000691390598 984313656 /nfs/dbraw/zinc/31/36/56/984313656.db2.gz HDEPPCGBOMISON-UHFFFAOYSA-N 0 1 248.095 2.214 20 10 BECDMN CO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137831977 990857277 /nfs/dbraw/zinc/85/72/77/990857277.db2.gz VNMRASBARCYJQC-SNVBAGLBSA-N 0 1 239.290 2.142 20 10 BECDMN [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001138127881 990885653 /nfs/dbraw/zinc/88/56/53/990885653.db2.gz UFOGTVYROSJTGS-JBLDHEPKSA-N 0 1 239.265 2.464 20 10 BECDMN CSCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001138129603 990887434 /nfs/dbraw/zinc/88/74/34/990887434.db2.gz MGRMSNJLGGGCMN-UHFFFAOYSA-N 0 1 229.320 2.326 20 10 BECDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC001308857538 991176993 /nfs/dbraw/zinc/17/69/93/991176993.db2.gz ODESPVSVYDOGHP-NSHDSACASA-N 0 1 241.718 2.314 20 10 BECDMN [O-]c1cc(Cl)ccc1C[N@@H+](CCO)C1CC1 ZINC001560678919 991549368 /nfs/dbraw/zinc/54/93/68/991549368.db2.gz WIAFIQDNSVRHTI-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1cc(Cl)ccc1C[N@H+](CCO)C1CC1 ZINC001560678919 991549377 /nfs/dbraw/zinc/54/93/77/991549377.db2.gz WIAFIQDNSVRHTI-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1cc(Cl)ccc1C[NH+]1CC=CC1 ZINC001140461076 991643574 /nfs/dbraw/zinc/64/35/74/991643574.db2.gz DLLCCDPPSXFTNE-UHFFFAOYSA-N 0 1 209.676 2.417 20 10 BECDMN CCN(Cc1ccc(Cl)cc1O)C1COC1 ZINC001140464708 991644342 /nfs/dbraw/zinc/64/43/42/991644342.db2.gz AGSBOCGTMPNMRV-UHFFFAOYSA-N 0 1 241.718 2.266 20 10 BECDMN C[NH+](C)Cc1cc(Br)ccc1[O-] ZINC000032153296 343230097 /nfs/dbraw/zinc/23/00/97/343230097.db2.gz VKWZAKOXYMCAER-UHFFFAOYSA-N 0 1 230.105 2.216 20 10 BECDMN Cc1csc(CNCc2ccccc2O)n1 ZINC000038090720 343370527 /nfs/dbraw/zinc/37/05/27/343370527.db2.gz SKBQJHKQQVGXTF-UHFFFAOYSA-N 0 1 234.324 2.447 20 10 BECDMN CC[C@@H](NCc1nccn1C)c1ccccc1O ZINC000071272989 343962288 /nfs/dbraw/zinc/96/22/88/343962288.db2.gz XYHHFVXAERYGLJ-GFCCVEGCSA-N 0 1 245.326 2.367 20 10 BECDMN CCC[N@H+](Cc1ccccc1O)C[C@H](O)CC ZINC000076073924 344793984 /nfs/dbraw/zinc/79/39/84/344793984.db2.gz ZDGHRZKKYYOKKC-CYBMUJFWSA-N 0 1 237.343 2.375 20 10 BECDMN Cc1cccc(CN(C2CC2)C2COC2)c1O ZINC000296136177 179071500 /nfs/dbraw/zinc/07/15/00/179071500.db2.gz UVGLAVMFUVZWNN-UHFFFAOYSA-N 0 1 233.311 2.064 20 10 BECDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1CO ZINC000132487127 183150245 /nfs/dbraw/zinc/15/02/45/183150245.db2.gz COINNAJGCVIGME-SNVBAGLBSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCOC1 ZINC000037738220 183273068 /nfs/dbraw/zinc/27/30/68/183273068.db2.gz MKBIRPKYBMIFKR-SECBINFHSA-N 0 1 241.718 2.172 20 10 BECDMN Oc1ccc(F)cc1CN1CCC[C@@H]1CF ZINC000293961242 183275448 /nfs/dbraw/zinc/27/54/48/183275448.db2.gz JNDQOEBQRCQMTC-LLVKDONJSA-N 0 1 227.254 2.465 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCCOC1 ZINC000083552504 183292556 /nfs/dbraw/zinc/29/25/56/183292556.db2.gz KXYLCZKWFQXERJ-SECBINFHSA-N 0 1 241.718 2.314 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCCOC1 ZINC000083552505 183293309 /nfs/dbraw/zinc/29/33/09/183293309.db2.gz KXYLCZKWFQXERJ-VIFPVBQESA-N 0 1 241.718 2.314 20 10 BECDMN CCC[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113342291 383976436 /nfs/dbraw/zinc/97/64/36/383976436.db2.gz SZJODQIMEJYHEN-VIFPVBQESA-N 0 1 243.734 2.296 20 10 BECDMN CN(Cc1ccc(CO)o1)Cc1ccccc1O ZINC000091974438 384157408 /nfs/dbraw/zinc/15/74/08/384157408.db2.gz ALDMOZOSAPJELJ-UHFFFAOYSA-N 0 1 247.294 2.110 20 10 BECDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000132481044 384234356 /nfs/dbraw/zinc/23/43/56/384234356.db2.gz JYCIRLIOAGJPOB-SNVBAGLBSA-N 0 1 241.718 2.002 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000132759440 384250202 /nfs/dbraw/zinc/25/02/02/384250202.db2.gz MHDYCQOOTFZYHX-DZGCQCFKSA-N 0 1 247.338 2.454 20 10 BECDMN C[N@H+](Cc1c([O-])cccc1Cl)CC(C)(C)O ZINC000126399060 384795823 /nfs/dbraw/zinc/79/58/23/384795823.db2.gz AMMQYJBVXXWWHF-UHFFFAOYSA-N 0 1 243.734 2.248 20 10 BECDMN C[N@@H+](Cc1c([O-])cccc1Cl)CC(C)(C)O ZINC000126399060 384795830 /nfs/dbraw/zinc/79/58/30/384795830.db2.gz AMMQYJBVXXWWHF-UHFFFAOYSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](O)CC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000127679977 384933329 /nfs/dbraw/zinc/93/33/29/384933329.db2.gz GQMWWPVUMVKLCO-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@@H](O)CC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000127679977 384933340 /nfs/dbraw/zinc/93/33/40/384933340.db2.gz GQMWWPVUMVKLCO-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN CCC[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000179577258 385476163 /nfs/dbraw/zinc/47/61/63/385476163.db2.gz DRSIGUHCTOYEFJ-ZDUSSCGKSA-N 0 1 235.327 2.393 20 10 BECDMN CC[N@@H+](CCCO)Cc1cccc(Cl)c1[O-] ZINC000271880287 385857135 /nfs/dbraw/zinc/85/71/35/385857135.db2.gz UYKIECZCEYVUOO-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN CS[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000295021322 385944516 /nfs/dbraw/zinc/94/45/16/385944516.db2.gz KQVMUAZLULNSGR-SNVBAGLBSA-N 0 1 241.331 2.469 20 10 BECDMN CO[C@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000223865831 387937113 /nfs/dbraw/zinc/93/71/13/387937113.db2.gz HYWKOFHGAGIXAM-MRVPVSSYSA-N 0 1 229.707 2.170 20 10 BECDMN Cc1nocc1CNCc1ccc(N(C)C)cc1 ZINC000294357136 388399492 /nfs/dbraw/zinc/39/94/92/388399492.db2.gz ZSRJMNQJFUKYAD-UHFFFAOYSA-N 0 1 245.326 2.339 20 10 BECDMN C[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134899005 388480144 /nfs/dbraw/zinc/48/01/44/388480144.db2.gz ISDZZYIPAOPAFZ-YUMQZZPRSA-N 0 1 229.707 2.077 20 10 BECDMN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000125493349 171089192 /nfs/dbraw/zinc/08/91/92/171089192.db2.gz DQMGZQBRMOSHNH-OAHLLOKOSA-N 0 1 248.370 2.363 20 10 BECDMN COc1ccc(O)c(CN2CCC[C@@H]2CF)c1 ZINC000294086978 175158157 /nfs/dbraw/zinc/15/81/57/175158157.db2.gz RHCMPCZOIDTTGI-LLVKDONJSA-N 0 1 239.290 2.335 20 10 BECDMN Oc1ccccc1CN1CCn2cccc2C1 ZINC000896759768 583831376 /nfs/dbraw/zinc/83/13/76/583831376.db2.gz FIVDOKBMKZOGMN-UHFFFAOYSA-N 0 1 228.295 2.210 20 10 BECDMN C[C@@H](NCc1cc(F)ccc1O)c1ccn(C)n1 ZINC000839192511 585097319 /nfs/dbraw/zinc/09/73/19/585097319.db2.gz VEZLXQLGVMXUIY-SECBINFHSA-N 0 1 249.289 2.116 20 10 BECDMN CC(C)(C)C[N@@H+](CCO)Cc1ccccc1O ZINC000770510853 585575252 /nfs/dbraw/zinc/57/52/52/585575252.db2.gz SDFCFXAFWNUGON-UHFFFAOYSA-N 0 1 237.343 2.233 20 10 BECDMN Oc1ccccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000779028868 585744346 /nfs/dbraw/zinc/74/43/46/585744346.db2.gz LJZXWTOEQHWFJT-KBPBESRZSA-N 0 1 247.338 2.393 20 10 BECDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000788269062 585920032 /nfs/dbraw/zinc/92/00/32/585920032.db2.gz LBZLIBOVSRGFRV-WPRPVWTQSA-N 0 1 241.718 2.001 20 10 BECDMN Cc1ccc(O)c(CN2CCOCC23CC3)c1 ZINC000802658588 586308478 /nfs/dbraw/zinc/30/84/78/586308478.db2.gz ISDZHMRIQXWVPE-UHFFFAOYSA-N 0 1 233.311 2.065 20 10 BECDMN CC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560457 586740605 /nfs/dbraw/zinc/74/06/05/586740605.db2.gz PFTXPXFZCVYYGS-CYBMUJFWSA-N 0 1 245.322 2.406 20 10 BECDMN C[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558833 586740915 /nfs/dbraw/zinc/74/09/15/586740915.db2.gz MSEXYFHKIGDDDN-SNVBAGLBSA-N 0 1 231.295 2.016 20 10 BECDMN CC[C@H]([NH2+]C[C@H](C)N)c1cccc(Cl)c1[O-] ZINC000817973937 586860972 /nfs/dbraw/zinc/86/09/72/586860972.db2.gz WWAXPNMUEIRXSN-KWQFWETISA-N 0 1 242.750 2.434 20 10 BECDMN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000818357637 586888829 /nfs/dbraw/zinc/88/88/29/586888829.db2.gz CRDYMWYJYCIHSJ-WHGOUJPWSA-N 0 1 241.718 2.220 20 10 BECDMN Oc1ccc(F)cc1CN1CC2(CC2)C1 ZINC000824533554 587273945 /nfs/dbraw/zinc/27/39/45/587273945.db2.gz HUNUSJJPJNCWFB-UHFFFAOYSA-N 0 1 207.248 2.127 20 10 BECDMN COCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824547780 587275447 /nfs/dbraw/zinc/27/54/47/587275447.db2.gz BVPHSWPMPUMRTO-UHFFFAOYSA-N 0 1 243.734 2.432 20 10 BECDMN COCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824547780 587275448 /nfs/dbraw/zinc/27/54/48/587275448.db2.gz BVPHSWPMPUMRTO-UHFFFAOYSA-N 0 1 243.734 2.432 20 10 BECDMN CCOc1ccc(CN2CC[C@@H](F)C2)c(O)c1 ZINC000824571042 587276917 /nfs/dbraw/zinc/27/69/17/587276917.db2.gz HRUPRCQMNZSBRZ-LLVKDONJSA-N 0 1 239.290 2.335 20 10 BECDMN Cc1ncc(CN(C)Cc2ccccc2O)n1C ZINC000824593175 587278548 /nfs/dbraw/zinc/27/85/48/587278548.db2.gz LXVLATOADXUFJL-UHFFFAOYSA-N 0 1 245.326 2.066 20 10 BECDMN Oc1ccccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827152685 587371291 /nfs/dbraw/zinc/37/12/91/587371291.db2.gz UTQZOJDPQJVZKV-HNNXBMFYSA-N 0 1 247.338 2.129 20 10 BECDMN C[N@H+](Cc1c([O-])cccc1Cl)C1(CO)CC1 ZINC000827904175 587409500 /nfs/dbraw/zinc/40/95/00/587409500.db2.gz VNUMDOMNEHNBQV-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN C[N@@H+](Cc1c([O-])cccc1Cl)C1(CO)CC1 ZINC000827904175 587409501 /nfs/dbraw/zinc/40/95/01/587409501.db2.gz VNUMDOMNEHNBQV-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN CN(C)c1ccc(/C=C\CNCCF)cc1 ZINC000835050931 587779642 /nfs/dbraw/zinc/77/96/42/587779642.db2.gz GNXHKVNQHDEWEW-ARJAWSKDSA-N 0 1 222.307 2.325 20 10 BECDMN CCn1ccc(CN[C@H](C)c2ccccc2O)n1 ZINC000840839759 587924672 /nfs/dbraw/zinc/92/46/72/587924672.db2.gz RRANKPOMPFTCDL-LLVKDONJSA-N 0 1 245.326 2.459 20 10 BECDMN Cc1cc(N(C)C)ccc1CN1CCOC[C@@H]1C ZINC000840911371 587929384 /nfs/dbraw/zinc/92/93/84/587929384.db2.gz XXHWXEBADMJVTH-ZDUSSCGKSA-N 0 1 248.370 2.282 20 10 BECDMN C[C@@H]([NH2+]CCN(C)C)c1ccc(Cl)cc1[O-] ZINC000841757630 587974402 /nfs/dbraw/zinc/97/44/02/587974402.db2.gz NZPLPVUNUFNGCQ-SECBINFHSA-N 0 1 242.750 2.258 20 10 BECDMN C[C@@]1(O)C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000841891826 587982002 /nfs/dbraw/zinc/98/20/02/587982002.db2.gz PQCQSPVTVFDKGC-LYWQIFSTSA-N 0 1 241.718 2.049 20 10 BECDMN CC[C@H](O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000842210646 588007387 /nfs/dbraw/zinc/00/73/87/588007387.db2.gz DHVIJDQYNQWHEZ-VIFPVBQESA-N 0 1 243.734 2.215 20 10 BECDMN CCc1nc(CN(C)c2ccc(OC)cc2)n[nH]1 ZINC000844353596 588186764 /nfs/dbraw/zinc/18/67/64/588186764.db2.gz ZOIDMJFCBYZYAW-UHFFFAOYSA-N 0 1 246.314 2.012 20 10 BECDMN CCc1cccc(CN(C)Cc2cn[nH]c2)c1O ZINC000848886813 588416982 /nfs/dbraw/zinc/41/69/82/588416982.db2.gz IQRWTDMQJAWUBF-UHFFFAOYSA-N 0 1 245.326 2.310 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000848904392 588418353 /nfs/dbraw/zinc/41/83/53/588418353.db2.gz SFRKEPNZZGNQCI-BXUZGUMPSA-N 0 1 249.354 2.157 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000848904393 588418642 /nfs/dbraw/zinc/41/86/42/588418642.db2.gz SFRKEPNZZGNQCI-FZMZJTMJSA-N 0 1 249.354 2.157 20 10 BECDMN CCc1cccc(C[N@H+]2CCC[C@H]2CCO)c1O ZINC000848903855 588418872 /nfs/dbraw/zinc/41/88/72/588418872.db2.gz FQYYFEXBRPTRGY-AWEZNQCLSA-N 0 1 249.354 2.301 20 10 BECDMN CCc1cccc(CN2CC(O)(C(C)C)C2)c1O ZINC000848915055 588420411 /nfs/dbraw/zinc/42/04/11/588420411.db2.gz RJSCWGVVGOJEPP-UHFFFAOYSA-N 0 1 249.354 2.157 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(O)CCC1 ZINC000123542465 589748631 /nfs/dbraw/zinc/74/86/31/589748631.db2.gz BBRMPUZZFDOYNI-UHFFFAOYSA-N 0 1 241.718 2.050 20 10 BECDMN CC[C@@H](O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000124282687 589973276 /nfs/dbraw/zinc/97/32/76/589973276.db2.gz QNSNLJSGAMDCQX-SECBINFHSA-N 0 1 243.734 2.296 20 10 BECDMN Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000124846292 590094963 /nfs/dbraw/zinc/09/49/63/590094963.db2.gz OTBOHBLBBRMDBC-OCCSQVGLSA-N 0 1 248.370 2.273 20 10 BECDMN Cc1ccc(C[N@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC000877554672 590356861 /nfs/dbraw/zinc/35/68/61/590356861.db2.gz LLIYUOVNPFVFJW-ZDUSSCGKSA-N 0 1 235.327 2.047 20 10 BECDMN Cc1cccc(O)c1CN[C@@H]1CCn2ccnc21 ZINC000877557986 590358499 /nfs/dbraw/zinc/35/84/99/590358499.db2.gz ZPSVMTXCNWOLDO-GFCCVEGCSA-N 0 1 243.310 2.132 20 10 BECDMN [O-]c1c(C[NH+]2CC(C(F)F)C2)ccc(F)c1F ZINC000877580188 590364999 /nfs/dbraw/zinc/36/49/99/590364999.db2.gz HGHOQUAJKNAIRK-UHFFFAOYSA-N 0 1 249.207 2.367 20 10 BECDMN Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c(O)c1 ZINC000877631941 590377842 /nfs/dbraw/zinc/37/78/42/590377842.db2.gz WTEHUDNVKPKOPF-HIFRSBDPSA-N 0 1 247.338 2.169 20 10 BECDMN Cc1cc(CN[C@@H](C)c2ccccc2O)nn1C ZINC000877758037 590418025 /nfs/dbraw/zinc/41/80/25/590418025.db2.gz FWFTVQGRCFKEKA-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2CC[C@H](C(C)(C)O)C2)c1 ZINC000877835135 590431610 /nfs/dbraw/zinc/43/16/10/590431610.db2.gz ICKLVMCORIKREX-ZDUSSCGKSA-N 0 1 249.354 2.293 20 10 BECDMN COCC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132703433 591731274 /nfs/dbraw/zinc/73/12/74/591731274.db2.gz ZMHLYOQDFJQIDJ-UHFFFAOYSA-N 0 1 229.707 2.124 20 10 BECDMN COCC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000132703433 591731277 /nfs/dbraw/zinc/73/12/77/591731277.db2.gz ZMHLYOQDFJQIDJ-UHFFFAOYSA-N 0 1 229.707 2.124 20 10 BECDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2O)C1 ZINC000086783198 631473666 /nfs/dbraw/zinc/47/36/66/631473666.db2.gz IVWPCMDZMOHSSB-CQSZACIVSA-N 0 1 249.310 2.079 20 10 BECDMN CCn1cc(CN(C)Cc2ccccc2O)cn1 ZINC000091956592 632708225 /nfs/dbraw/zinc/70/82/25/632708225.db2.gz IHFWCKZWXLRYFQ-UHFFFAOYSA-N 0 1 245.326 2.241 20 10 BECDMN Cc1cc(C)c(O)c(CN2CCOC[C@H]2C)c1 ZINC000163979570 633068234 /nfs/dbraw/zinc/06/82/34/633068234.db2.gz BNTAYWWAJXXNHW-GFCCVEGCSA-N 0 1 235.327 2.230 20 10 BECDMN CC[C@H]([NH2+][C@@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000310000766 634061579 /nfs/dbraw/zinc/06/15/79/634061579.db2.gz DSPVJLXYAGOWTA-KWQFWETISA-N 0 1 243.734 2.467 20 10 BECDMN C[C@H](NCc1nccn1C)c1cc(F)ccc1O ZINC000094618189 635378015 /nfs/dbraw/zinc/37/80/15/635378015.db2.gz YOWCLNGPXMFITM-VIFPVBQESA-N 0 1 249.289 2.116 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(CO)CCC1 ZINC000157501879 640688737 /nfs/dbraw/zinc/68/87/37/640688737.db2.gz CNETUTCRAYPMJN-UHFFFAOYSA-N 0 1 241.718 2.050 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+]CCF ZINC000308129171 642401514 /nfs/dbraw/zinc/40/15/14/642401514.db2.gz BBPMNSVKJAUWHP-UHFFFAOYSA-N 0 1 203.644 2.105 20 10 BECDMN C[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000180190274 642777594 /nfs/dbraw/zinc/77/75/94/642777594.db2.gz LHNIXFYWJOWYMD-GFCCVEGCSA-N 0 1 241.718 2.002 20 10 BECDMN C[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000180190274 642777605 /nfs/dbraw/zinc/77/76/05/642777605.db2.gz LHNIXFYWJOWYMD-GFCCVEGCSA-N 0 1 241.718 2.002 20 10 BECDMN CN(CC(=O)Nc1ccc(N)cc1)CC(C)(C)C ZINC000045064457 643551167 /nfs/dbraw/zinc/55/11/67/643551167.db2.gz UOKCWQJFOLDAPE-UHFFFAOYSA-N 0 1 249.358 2.185 20 10 BECDMN Cc1cc(C)c(O)c(CN2CCO[C@@H](C)C2)c1 ZINC000192597133 644167521 /nfs/dbraw/zinc/16/75/21/644167521.db2.gz BPIPLCXUXVQTQK-LBPRGKRZSA-N 0 1 235.327 2.230 20 10 BECDMN O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000086814581 644471431 /nfs/dbraw/zinc/47/14/31/644471431.db2.gz XDQGIOWDEVSSQA-GFCCVEGCSA-N 0 1 249.310 2.221 20 10 BECDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](F)C1 ZINC000840104597 644866276 /nfs/dbraw/zinc/86/62/76/644866276.db2.gz UTWYYUWNAOFEAZ-LLVKDONJSA-N 0 1 246.285 2.484 20 10 BECDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](F)C1 ZINC000840104597 644866279 /nfs/dbraw/zinc/86/62/79/644866279.db2.gz UTWYYUWNAOFEAZ-LLVKDONJSA-N 0 1 246.285 2.484 20 10 BECDMN CC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708398542 712192688 /nfs/dbraw/zinc/19/26/88/712192688.db2.gz GSGURWZMYNATGR-UHFFFAOYSA-N 0 1 201.216 2.122 20 10 BECDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Cl)[C@H](C)O ZINC000386748879 711035913 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/nfs/dbraw/zinc/55/46/00/588554600.db2.gz SNTFVHZAXCXZRC-HPOULIHZSA-N 0 1 241.718 2.245 20 10 BECDMN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000850577631 588561096 /nfs/dbraw/zinc/56/10/96/588561096.db2.gz BNPVMFZVTHOOED-HGNGGELXSA-N 0 1 241.718 2.220 20 10 BECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862439931 589212880 /nfs/dbraw/zinc/21/28/80/589212880.db2.gz BZIPXEAFFQDUPH-DTORHVGOSA-N 0 1 223.703 2.497 20 10 BECDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862439931 589212881 /nfs/dbraw/zinc/21/28/81/589212881.db2.gz BZIPXEAFFQDUPH-DTORHVGOSA-N 0 1 223.703 2.497 20 10 BECDMN CC[C@H](O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000124282478 589972994 /nfs/dbraw/zinc/97/29/94/589972994.db2.gz QNSNLJSGAMDCQX-VIFPVBQESA-N 0 1 243.734 2.296 20 10 BECDMN Cc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000877170192 590296100 /nfs/dbraw/zinc/29/61/00/590296100.db2.gz JNISBZDBHKMHBQ-STQMWFEESA-N 0 1 249.354 2.293 20 10 BECDMN [O-]c1c(C[NH2+]C(CF)CF)ccc(F)c1F ZINC000877559231 590358750 /nfs/dbraw/zinc/35/87/50/590358750.db2.gz KAFKHRKVYJFHAU-UHFFFAOYSA-N 0 1 237.196 2.068 20 10 BECDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC000127988454 590864052 /nfs/dbraw/zinc/86/40/52/590864052.db2.gz JPVYURLZZLFOOO-VIFPVBQESA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000127988454 590864055 /nfs/dbraw/zinc/86/40/55/590864055.db2.gz JPVYURLZZLFOOO-VIFPVBQESA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCO)C1CC1 ZINC000128120301 590899407 /nfs/dbraw/zinc/89/94/07/590899407.db2.gz UPYSXLAPKBEAHV-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1ccc(Cl)cc1C[N@H+](CCO)C1CC1 ZINC000128120301 590899411 /nfs/dbraw/zinc/89/94/11/590899411.db2.gz UPYSXLAPKBEAHV-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN CC(C)(CO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000133521566 591818505 /nfs/dbraw/zinc/81/85/05/591818505.db2.gz FEUZVHJHWYPITB-UHFFFAOYSA-N 0 1 243.734 2.154 20 10 BECDMN C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000134247619 591906990 /nfs/dbraw/zinc/90/69/90/591906990.db2.gz JJUUGHCHVYSPTI-KCJUWKMLSA-N 0 1 241.718 2.313 20 10 BECDMN C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000134247644 591907000 /nfs/dbraw/zinc/90/70/00/591907000.db2.gz JJUUGHCHVYSPTI-KWQFWETISA-N 0 1 241.718 2.313 20 10 BECDMN C[C@@H](CF)[NH2+]Cc1c([O-])cccc1Cl ZINC000308523090 631419759 /nfs/dbraw/zinc/41/97/59/631419759.db2.gz VBWAVEIKQPHBFZ-ZETCQYMHSA-N 0 1 217.671 2.493 20 10 BECDMN CC[C@H]([NH2+][C@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000309421633 633048016 /nfs/dbraw/zinc/04/80/16/633048016.db2.gz DSPVJLXYAGOWTA-KCJUWKMLSA-N 0 1 243.734 2.467 20 10 BECDMN Cc1ccc(C[N@H+]2CC[C@@H](CF)C2)c(O)c1 ZINC000895569081 636160444 /nfs/dbraw/zinc/16/04/44/636160444.db2.gz RZJBKJKNORZAQS-NSHDSACASA-N 0 1 223.291 2.492 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000164237274 640457140 /nfs/dbraw/zinc/45/71/40/640457140.db2.gz WUSYDTXXXDKMHH-JQWIXIFHSA-N 0 1 241.718 2.049 20 10 BECDMN CC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000082687171 643365019 /nfs/dbraw/zinc/36/50/19/643365019.db2.gz DSPAQMUKRPATTI-LBPRGKRZSA-N 0 1 243.734 2.296 20 10 BECDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2O)C1 ZINC000086783194 644181853 /nfs/dbraw/zinc/18/18/53/644181853.db2.gz IVWPCMDZMOHSSB-AWEZNQCLSA-N 0 1 249.310 2.079 20 10 BECDMN C[C@H](NCc1cc(F)cc(F)c1O)C(F)F ZINC000708515913 712211929 /nfs/dbraw/zinc/21/19/29/712211929.db2.gz AGXPURUVRKJYPE-YFKPBYRVSA-N 0 1 237.196 2.414 20 10 BECDMN COC[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000045656596 711487927 /nfs/dbraw/zinc/48/79/27/711487927.db2.gz QOZSNLBPCDSCPJ-SECBINFHSA-N 0 1 243.734 2.418 20 10 BECDMN COc1ccc(N(C)Cc2cn[nH]c2C)cc1 ZINC000724776225 711611438 /nfs/dbraw/zinc/61/14/38/711611438.db2.gz YCJLXILUVCNLEY-UHFFFAOYSA-N 0 1 231.299 2.363 20 10 BECDMN C[C@H](O)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227958308 711833188 /nfs/dbraw/zinc/83/31/88/711833188.db2.gz CYDPBPWJHMHEBJ-VIFPVBQESA-N 0 1 243.734 2.296 20 10 BECDMN O=C([O-])CC[N@H+](Cc1ccccc1O)CC1CC1 ZINC000717244339 1166628714 /nfs/dbraw/zinc/62/87/14/1166628714.db2.gz WPOCJYYRMCHMCM-UHFFFAOYSA-N 0 1 249.310 2.079 20 10 BECDMN C[C@@H]([NH2+]CCCC(=O)[O-])c1ccc(F)cc1O ZINC000062747629 948953236 /nfs/dbraw/zinc/95/32/36/948953236.db2.gz UQQRJKOZAYTIQS-MRVPVSSYSA-N 0 1 241.262 2.047 20 10 BECDMN CCN(Cc1cnccn1)Cc1ccccc1O ZINC001209787108 957532095 /nfs/dbraw/zinc/53/20/95/957532095.db2.gz OSYDDPHEZLMCNH-UHFFFAOYSA-N 0 1 243.310 2.204 20 10 BECDMN CCN(Cc1c[nH]cn1)Cc1ccccc1O ZINC001136871961 972293005 /nfs/dbraw/zinc/29/30/05/972293005.db2.gz WQWUPEOHOOMNCH-UHFFFAOYSA-N 0 1 231.299 2.137 20 10 BECDMN CCOc1cccc(CN2CC[C@@H](F)C2)c1O ZINC000689865741 960296953 /nfs/dbraw/zinc/29/69/53/960296953.db2.gz ZGHSITGFWIJHOI-LLVKDONJSA-N 0 1 239.290 2.335 20 10 BECDMN Cc1ccc(CN(C)Cc2ccncn2)c(O)c1 ZINC001140953548 960762642 /nfs/dbraw/zinc/76/26/42/960762642.db2.gz BERARRLIMJABRL-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN CN(Cc1cccnc1)Cc1cc(O)ccc1O ZINC001141156444 960890268 /nfs/dbraw/zinc/89/02/68/960890268.db2.gz YAKRHTDKGKIOCB-UHFFFAOYSA-N 0 1 244.294 2.125 20 10 BECDMN Oc1c(CN2C[C@@H](F)[C@H](F)C2)ccc(F)c1F ZINC000714557985 964097213 /nfs/dbraw/zinc/09/72/13/964097213.db2.gz JSUAGDCMLVOZGE-RKDXNWHRSA-N 0 1 249.207 2.162 20 10 BECDMN COc1cccc(CN2CCC[C@@H](F)C2)c1O ZINC000689902886 965454724 /nfs/dbraw/zinc/45/47/24/965454724.db2.gz GLDDWFWKEXBHQN-LLVKDONJSA-N 0 1 239.290 2.335 20 10 BECDMN COc1ccc(CN2C[C@@H](F)C[C@H]2C)c(O)c1 ZINC001203621317 966711408 /nfs/dbraw/zinc/71/14/08/966711408.db2.gz SZMHHCCHOKYUQV-KOLCDFICSA-N 0 1 239.290 2.333 20 10 BECDMN CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000694348287 967805961 /nfs/dbraw/zinc/80/59/61/967805961.db2.gz KPTYAOGMZHMBOL-NEPJUHHUSA-N 0 1 241.718 2.313 20 10 BECDMN Cc1cc(N)ncc1Nc1ccc(N)cc1 ZINC001209969550 969736929 /nfs/dbraw/zinc/73/69/29/969736929.db2.gz LMYUFMJUQYGFPD-UHFFFAOYSA-N 0 1 214.272 2.298 20 10 BECDMN Cc1ccc(C[N@H+]2CCC[C@](C)(CO)C2)c(O)c1 ZINC001332975954 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ZINC001231561398 977632799 /nfs/dbraw/zinc/63/27/99/977632799.db2.gz UIGWBHYWGKGYNZ-UHFFFAOYSA-N 0 1 249.310 2.321 20 10 BECDMN C[N@@H+](CCC1CC1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566359 977633837 /nfs/dbraw/zinc/63/38/37/977633837.db2.gz ZMZRZPMKMOOQJZ-UHFFFAOYSA-N 0 1 249.310 2.322 20 10 BECDMN Cc1cccc(CN2CC3(C2)CCCCO3)c1O ZINC001231591904 977644412 /nfs/dbraw/zinc/64/44/12/977644412.db2.gz MCUGOOSVNZWOHR-UHFFFAOYSA-N 0 1 247.338 2.456 20 10 BECDMN CCN(Cc1c(C)cc(C)cc1O)C1COC1 ZINC001231846240 977760225 /nfs/dbraw/zinc/76/02/25/977760225.db2.gz JCYQNMWYNABZGQ-UHFFFAOYSA-N 0 1 235.327 2.230 20 10 BECDMN CN(c1ccc(N)cc1)c1ccc2nn[nH]c2c1 ZINC001176003583 977862094 /nfs/dbraw/zinc/86/20/94/977862094.db2.gz RUFWKDWAFGZSSC-UHFFFAOYSA-N 0 1 239.282 2.308 20 10 BECDMN CN(c1ccc(N)cc1)c1ccc2n[nH]nc2c1 ZINC001176003583 977862099 /nfs/dbraw/zinc/86/20/99/977862099.db2.gz RUFWKDWAFGZSSC-UHFFFAOYSA-N 0 1 239.282 2.308 20 10 BECDMN CN(Cc1cncc(O)c1)Cc1ccccc1O ZINC001232044099 977871398 /nfs/dbraw/zinc/87/13/98/977871398.db2.gz FUCDBPJEJFQPSJ-UHFFFAOYSA-N 0 1 244.294 2.125 20 10 BECDMN COc1cc(O)c(CN2CCC2)cc1Cl ZINC001232263569 977984910 /nfs/dbraw/zinc/98/49/10/977984910.db2.gz AWFAQBKZYUXRSZ-UHFFFAOYSA-N 0 1 227.691 2.260 20 10 BECDMN Cc1ncc(CN2CCc3cccc(O)c3C2)o1 ZINC001233368052 978579765 /nfs/dbraw/zinc/57/97/65/978579765.db2.gz UCDKMCVPDRXALO-UHFFFAOYSA-N 0 1 244.294 2.247 20 10 BECDMN COc1ccc(C[N@@H+](C)CCF)c([O-])c1Cl ZINC001236818604 979743807 /nfs/dbraw/zinc/74/38/07/979743807.db2.gz PILQTZMUOYGXBW-UHFFFAOYSA-N 0 1 247.697 2.456 20 10 BECDMN C[N@@H+](Cc1cc2ccccc2cc1O)C1COC1 ZINC001236838987 979752554 /nfs/dbraw/zinc/75/25/54/979752554.db2.gz DGLKDQYBTVYIQG-UHFFFAOYSA-N 0 1 243.306 2.376 20 10 BECDMN CN(Cc1cc2ccccc2cc1O)C1COC1 ZINC001236838987 979752563 /nfs/dbraw/zinc/75/25/63/979752563.db2.gz DGLKDQYBTVYIQG-UHFFFAOYSA-N 0 1 243.306 2.376 20 10 BECDMN Cc1cc(C)c(O)c(C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC001607620832 980118533 /nfs/dbraw/zinc/11/85/33/980118533.db2.gz KMKFPNXIZWPCNJ-UHFFFAOYSA-N 0 1 249.310 2.058 20 10 BECDMN C[C@@H]([NH2+]CCCC(=O)[O-])c1c(O)cccc1F ZINC001589128109 982628745 /nfs/dbraw/zinc/62/87/45/982628745.db2.gz KIGWHNCNRDUGDH-MRVPVSSYSA-N 0 1 241.262 2.047 20 10 BECDMN CCc1cccc(CN2CCO[C@H](C)C2)c1O ZINC000692110485 985413206 /nfs/dbraw/zinc/41/32/06/985413206.db2.gz XDSKPBDBUPMCQP-LLVKDONJSA-N 0 1 235.327 2.175 20 10 BECDMN CCN(Cc1ccc(N(C)C)c(C)c1)C1COC1 ZINC001139673560 991311114 /nfs/dbraw/zinc/31/11/14/991311114.db2.gz SLUHBFQGVCKYOX-UHFFFAOYSA-N 0 1 248.370 2.282 20 10 BECDMN COC1(C)CN(Cc2c(C)ccc(C)c2O)C1 ZINC001140178311 991549846 /nfs/dbraw/zinc/54/98/46/991549846.db2.gz HTARRFURZQXICG-UHFFFAOYSA-N 0 1 235.327 2.230 20 10 BECDMN C[N@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCOC1 ZINC001140466645 991643384 /nfs/dbraw/zinc/64/33/84/991643384.db2.gz JDOXXGKWUSRFPV-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCOC1 ZINC001140466645 991643388 /nfs/dbraw/zinc/64/33/88/991643388.db2.gz JDOXXGKWUSRFPV-NSHDSACASA-N 0 1 241.718 2.266 20 10 BECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1CO ZINC001140462261 991643656 /nfs/dbraw/zinc/64/36/56/991643656.db2.gz COAFPFHAYSADAS-LLVKDONJSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC001140462261 991643658 /nfs/dbraw/zinc/64/36/58/991643658.db2.gz COAFPFHAYSADAS-LLVKDONJSA-N 0 1 241.718 2.002 20 10 BECDMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])CO1 ZINC001621421441 1170806338 /nfs/dbraw/zinc/80/63/38/1170806338.db2.gz URMFCJKJROABRN-GZMMTYOYSA-N 0 1 241.718 2.313 20 10 BECDMN Cc1cc(O)c(C[N@@H+]2CCOC[C@H](C)C2)cc1C ZINC000372230876 178195481 /nfs/dbraw/zinc/19/54/81/178195481.db2.gz HSZUFOCPQLZJRF-LLVKDONJSA-N 0 1 249.354 2.477 20 10 BECDMN Cc1cc(O)c(C[N@@H+](C)CCCCO)cc1C ZINC000276625403 178196014 /nfs/dbraw/zinc/19/60/14/178196014.db2.gz INVXUOHTQMVSJA-UHFFFAOYSA-N 0 1 237.343 2.213 20 10 BECDMN CC(C)(O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000274711551 188092293 /nfs/dbraw/zinc/09/22/93/188092293.db2.gz ADUDBMVQVQWKLD-UHFFFAOYSA-N 0 1 243.734 2.296 20 10 BECDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)CO ZINC000293675331 353760967 /nfs/dbraw/zinc/76/09/67/353760967.db2.gz PGGFAXNHBYDYRV-VIFPVBQESA-N 0 1 243.734 2.248 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCCCO ZINC000083372154 183047219 /nfs/dbraw/zinc/04/72/19/183047219.db2.gz KLEKZNGSEHDSMD-UHFFFAOYSA-N 0 1 243.734 2.298 20 10 BECDMN OCC[C@@H](NCc1ccccc1O)c1ccco1 ZINC000184520012 183091463 /nfs/dbraw/zinc/09/14/63/183091463.db2.gz HZRKUUXEOSVQDA-GFCCVEGCSA-N 0 1 247.294 2.199 20 10 BECDMN C[C@@H]1[C@H](C)OCCN1Cc1ccc(N(C)C)cc1 ZINC000093417620 384236024 /nfs/dbraw/zinc/23/60/24/384236024.db2.gz ODIYBPQUZMKDTA-OLZOCXBDSA-N 0 1 248.370 2.362 20 10 BECDMN CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134904694 384398130 /nfs/dbraw/zinc/39/81/30/384398130.db2.gz JREGTZXMLWDEAK-SCZZXKLOSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@@H]([NH2+][C@@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000134923022 384399786 /nfs/dbraw/zinc/39/97/86/384399786.db2.gz VAHQCQQSSAGKRG-DTWKUNHWSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134923001 384400034 /nfs/dbraw/zinc/40/00/34/384400034.db2.gz VAHQCQQSSAGKRG-BDAKNGLRSA-N 0 1 243.734 2.467 20 10 BECDMN C[NH+](Cc1ccccc1O)C[C@@H]1CCC[N@H+](C)C1 ZINC000179559528 385474471 /nfs/dbraw/zinc/47/44/71/385474471.db2.gz ARUUMLHQYHGOPO-CYBMUJFWSA-N 0 1 248.370 2.166 20 10 BECDMN C[NH+](Cc1ccccc1O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000179559528 385474472 /nfs/dbraw/zinc/47/44/72/385474472.db2.gz ARUUMLHQYHGOPO-CYBMUJFWSA-N 0 1 248.370 2.166 20 10 BECDMN CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)C[C@H]1O ZINC000271244479 385809562 /nfs/dbraw/zinc/80/95/62/385809562.db2.gz BUTKZVBYTHHKCH-SWLSCSKDSA-N 0 1 249.354 2.212 20 10 BECDMN Cc1cc(CN(C)Cc2ccccc2O)on1 ZINC000264722579 386267884 /nfs/dbraw/zinc/26/78/84/386267884.db2.gz PKQGGLMVLIWGGT-UHFFFAOYSA-N 0 1 232.283 2.321 20 10 BECDMN CCC[C@@]1(CO)CC[N@@H+](Cc2ccccc2O)C1 ZINC000290225305 386409076 /nfs/dbraw/zinc/40/90/76/386409076.db2.gz SGAVWYIIDCQSQZ-OAHLLOKOSA-N 0 1 249.354 2.377 20 10 BECDMN CC(C)[N@@H+](Cc1ccccc1O)[C@@H]1CCOC1 ZINC000291250596 386529259 /nfs/dbraw/zinc/52/92/59/386529259.db2.gz MASUMHSGBUTTQV-CYBMUJFWSA-N 0 1 235.327 2.392 20 10 BECDMN CC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000293221207 386770537 /nfs/dbraw/zinc/77/05/37/386770537.db2.gz ALXNZUJPMXMTDX-WPRPVWTQSA-N 0 1 243.734 2.467 20 10 BECDMN CO[C@@H](C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000223865765 388658859 /nfs/dbraw/zinc/65/88/59/388658859.db2.gz HYWKOFHGAGIXAM-QMMMGPOBSA-N 0 1 229.707 2.170 20 10 BECDMN CSCC[N@@H+](C)Cc1ccccc1O ZINC000178856886 397849055 /nfs/dbraw/zinc/84/90/55/397849055.db2.gz UYEOOQJAXXFGCP-UHFFFAOYSA-N 0 1 211.330 2.187 20 10 BECDMN COc1ccc(CNCc2cnn(C)c2)cc1C ZINC000041159407 175108815 /nfs/dbraw/zinc/10/88/15/175108815.db2.gz YMUMCNJEIXLVPC-UHFFFAOYSA-N 0 1 245.326 2.027 20 10 BECDMN Cc1nccnc1CN(C)Cc1ccccc1O ZINC000857018308 588882668 /nfs/dbraw/zinc/88/26/68/588882668.db2.gz LTTRLSWHXSZTIR-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN Cc1cc(O)c(CNCc2ncc[nH]2)cc1C ZINC000747863393 583400897 /nfs/dbraw/zinc/40/08/97/583400897.db2.gz ATBLZEIUEGDVJN-UHFFFAOYSA-N 0 1 231.299 2.022 20 10 BECDMN COc1ccc(N(C)Cc2cnc[nH]2)cc1OC ZINC000894461565 583466787 /nfs/dbraw/zinc/46/67/87/583466787.db2.gz HBLMDRWPDPZERR-UHFFFAOYSA-N 0 1 247.298 2.063 20 10 BECDMN Cc1ccc(O)c([C@@H](C)NCc2cn(C)cn2)c1 ZINC000903352949 584755771 /nfs/dbraw/zinc/75/57/71/584755771.db2.gz XIZQZVMTGBLVAB-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN C[C@]1(O)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769543272 585559306 /nfs/dbraw/zinc/55/93/06/585559306.db2.gz LSWCSAROSCOBNV-LBPRGKRZSA-N 0 1 241.718 2.002 20 10 BECDMN C[C@]1(O)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000769543272 585559307 /nfs/dbraw/zinc/55/93/07/585559307.db2.gz LSWCSAROSCOBNV-LBPRGKRZSA-N 0 1 241.718 2.002 20 10 BECDMN CN(Cc1ccccc1O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000770511093 585575228 /nfs/dbraw/zinc/57/52/28/585575228.db2.gz ZRXBOZGMEZKHHU-CQSZACIVSA-N 0 1 246.354 2.061 20 10 BECDMN Oc1ccccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000779028875 585744240 /nfs/dbraw/zinc/74/42/40/585744240.db2.gz LJZXWTOEQHWFJT-UONOGXRCSA-N 0 1 247.338 2.393 20 10 BECDMN Oc1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000779028872 585744298 /nfs/dbraw/zinc/74/42/98/585744298.db2.gz LJZXWTOEQHWFJT-KGLIPLIRSA-N 0 1 247.338 2.393 20 10 BECDMN C[N@H+](CCCCO)Cc1cc(Cl)ccc1[O-] ZINC000788268814 585920343 /nfs/dbraw/zinc/92/03/43/585920343.db2.gz IRSPNXYMQFIGLC-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN C[N@@H+](CCCCO)Cc1cc(Cl)ccc1[O-] ZINC000788268814 585920344 /nfs/dbraw/zinc/92/03/44/585920344.db2.gz IRSPNXYMQFIGLC-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN CCOc1ccc(N(C)Cc2n[nH]c(C)n2)cc1 ZINC000794375665 586038751 /nfs/dbraw/zinc/03/87/51/586038751.db2.gz SSGSEWODUUCISA-UHFFFAOYSA-N 0 1 246.314 2.148 20 10 BECDMN Cc1nccc(CN(C)Cc2ccccc2O)n1 ZINC000796451942 586103602 /nfs/dbraw/zinc/10/36/02/586103602.db2.gz ZYYOJGDXVXTURT-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN CC(C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551265 586739961 /nfs/dbraw/zinc/73/99/61/586739961.db2.gz VAQOFPFVYNGQDG-UHFFFAOYSA-N 0 1 245.322 2.406 20 10 BECDMN C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554552 586740574 /nfs/dbraw/zinc/74/05/74/586740574.db2.gz BLXIFFUQULTDLQ-JTQLQIEISA-N 0 1 231.295 2.016 20 10 BECDMN CC[C@H]([NH2+]C1CNC1)c1cccc(Cl)c1[O-] ZINC000817955806 586849910 /nfs/dbraw/zinc/84/99/10/586849910.db2.gz IEVDLTYLIXMNKK-NSHDSACASA-N 0 1 240.734 2.058 20 10 BECDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1C ZINC000821046092 587090909 /nfs/dbraw/zinc/09/09/09/587090909.db2.gz QNNFUSHGDVHTFJ-GFCCVEGCSA-N 0 1 249.310 2.058 20 10 BECDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000825104195 587304715 /nfs/dbraw/zinc/30/47/15/587304715.db2.gz QTUKBPHUEGSWBR-LDYMZIIASA-N 0 1 241.718 2.001 20 10 BECDMN [O-]c1c(C[NH2+][C@H]2C[C@@H](O)C2)ccc2ccccc21 ZINC000825256971 587311530 /nfs/dbraw/zinc/31/15/30/587311530.db2.gz OVZYKKYLMUBCKN-BETUJISGSA-N 0 1 243.306 2.158 20 10 BECDMN Cc1cc([O-])c(C[NH2+][C@H](C)CCO)cc1Cl ZINC000825298169 587313582 /nfs/dbraw/zinc/31/35/82/587313582.db2.gz VWKHGURTABBQON-SECBINFHSA-N 0 1 243.734 2.215 20 10 BECDMN CO[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825641441 587328698 /nfs/dbraw/zinc/32/86/98/587328698.db2.gz RZMSUMHQHRKHML-VIFPVBQESA-N 0 1 243.734 2.479 20 10 BECDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)CO)cc1Cl ZINC000825916361 587345362 /nfs/dbraw/zinc/34/53/62/587345362.db2.gz MSKYQHZFBSNJJA-VIFPVBQESA-N 0 1 243.734 2.167 20 10 BECDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)CO)cc1Cl ZINC000825916361 587345363 /nfs/dbraw/zinc/34/53/63/587345363.db2.gz MSKYQHZFBSNJJA-VIFPVBQESA-N 0 1 243.734 2.167 20 10 BECDMN Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC000827700663 587397578 /nfs/dbraw/zinc/39/75/78/587397578.db2.gz WOAMURYYSCYKAY-DOMZBBRYSA-N 0 1 249.354 2.151 20 10 BECDMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244838 587652401 /nfs/dbraw/zinc/65/24/01/587652401.db2.gz ZTOFDGMQZCZEMU-CYBMUJFWSA-N 0 1 247.342 2.082 20 10 BECDMN CCn1ccc(CN[C@@H](C)c2ccccc2O)n1 ZINC000840839760 587924794 /nfs/dbraw/zinc/92/47/94/587924794.db2.gz RRANKPOMPFTCDL-NSHDSACASA-N 0 1 245.326 2.459 20 10 BECDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H](C)O)c(Cl)c1 ZINC000840939545 587930523 /nfs/dbraw/zinc/93/05/23/587930523.db2.gz NMXHHRIJMSTPGR-VIFPVBQESA-N 0 1 243.734 2.167 20 10 BECDMN Cc1cc([O-])c(C[N@H+](C)C[C@H](C)O)c(Cl)c1 ZINC000840939545 587930524 /nfs/dbraw/zinc/93/05/24/587930524.db2.gz NMXHHRIJMSTPGR-VIFPVBQESA-N 0 1 243.734 2.167 20 10 BECDMN C[C@H](CCO)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000846111452 588257225 /nfs/dbraw/zinc/25/72/25/588257225.db2.gz PGEIAPCJCQUFMI-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](CCO)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000846111452 588257226 /nfs/dbraw/zinc/25/72/26/588257226.db2.gz PGEIAPCJCQUFMI-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@](O)(CC)C2)c1O ZINC000848904599 588418442 /nfs/dbraw/zinc/41/84/42/588418442.db2.gz YCFWYXPDXCVYCR-OAHLLOKOSA-N 0 1 249.354 2.301 20 10 BECDMN CCc1cccc(C[N@H+]2CCC[C@@H]2CCO)c1O ZINC000848903856 588418516 /nfs/dbraw/zinc/41/85/16/588418516.db2.gz FQYYFEXBRPTRGY-CQSZACIVSA-N 0 1 249.354 2.301 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000848904394 588418585 /nfs/dbraw/zinc/41/85/85/588418585.db2.gz SFRKEPNZZGNQCI-RISCZKNCSA-N 0 1 249.354 2.157 20 10 BECDMN CC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850527528 588557183 /nfs/dbraw/zinc/55/71/83/588557183.db2.gz ALXNZUJPMXMTDX-WCBMZHEXSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000850577632 588560984 /nfs/dbraw/zinc/56/09/84/588560984.db2.gz BNPVMFZVTHOOED-SZEHBUNVSA-N 0 1 241.718 2.220 20 10 BECDMN C[C@@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCOC1 ZINC000120158982 589385023 /nfs/dbraw/zinc/38/50/23/589385023.db2.gz VZIVZPIROQOLOF-GFCCVEGCSA-N 0 1 241.718 2.314 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+]CCCF ZINC000124422170 589990075 /nfs/dbraw/zinc/99/00/75/589990075.db2.gz FSXZNHADMSICJY-UHFFFAOYSA-N 0 1 217.671 2.495 20 10 BECDMN Cc1cccc(O)c1CN[C@H](C)c1nccn1C ZINC000877639937 590381238 /nfs/dbraw/zinc/38/12/38/590381238.db2.gz HAFDEWTZTXFOAE-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN C[C@H]1C[C@H]1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703073 590396034 /nfs/dbraw/zinc/39/60/34/590396034.db2.gz PZBDWVGPBQULBN-ONGXEEELSA-N 0 1 203.285 2.364 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c1 ZINC000877835134 590431275 /nfs/dbraw/zinc/43/12/75/590431275.db2.gz ICKLVMCORIKREX-CYBMUJFWSA-N 0 1 249.354 2.293 20 10 BECDMN Cc1ccc(O)c([C@H](C)NCc2ccn(C)n2)c1 ZINC000213178568 591454791 /nfs/dbraw/zinc/45/47/91/591454791.db2.gz FBIQBJKHEBRHPD-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN O=C([O-])C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000083663506 600219102 /nfs/dbraw/zinc/21/91/02/600219102.db2.gz YGCBZRWLWPRSIF-UHFFFAOYSA-N 0 1 249.310 2.221 20 10 BECDMN Cc1cc(C)c(O)c(CN2CCOC[C@@H]2C)c1 ZINC000163979457 633067493 /nfs/dbraw/zinc/06/74/93/633067493.db2.gz BNTAYWWAJXXNHW-LBPRGKRZSA-N 0 1 235.327 2.230 20 10 BECDMN Cc1ccc(C[N@H+]2CC[C@H](CF)C2)c(O)c1 ZINC000895569080 636159656 /nfs/dbraw/zinc/15/96/56/636159656.db2.gz RZJBKJKNORZAQS-LLVKDONJSA-N 0 1 223.291 2.492 20 10 BECDMN CC[C@H]([NH2+]C[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000309994474 634052231 /nfs/dbraw/zinc/05/22/31/634052231.db2.gz BTOPVBUPFFCCTG-KCJUWKMLSA-N 0 1 243.734 2.467 20 10 BECDMN CC[C@@H]([NH2+][C@@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000310000764 634061213 /nfs/dbraw/zinc/06/12/13/634061213.db2.gz DSPVJLXYAGOWTA-GZMMTYOYSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(N(C)C)cc1 ZINC000128520539 637084923 /nfs/dbraw/zinc/08/49/23/637084923.db2.gz MFVBBFJZHCPSBN-OLZOCXBDSA-N 0 1 248.370 2.362 20 10 BECDMN CC[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070899087 643079325 /nfs/dbraw/zinc/07/93/25/643079325.db2.gz FFTMWEWMHJEBEA-GFCCVEGCSA-N 0 1 243.734 2.296 20 10 BECDMN CSCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551390 643537268 /nfs/dbraw/zinc/53/72/68/643537268.db2.gz TYUNOZAZNZKNJD-UHFFFAOYSA-N 0 1 231.748 2.498 20 10 BECDMN C[C@@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000085126956 643685608 /nfs/dbraw/zinc/68/56/08/643685608.db2.gz KRBQSLUTBACGLL-VIFPVBQESA-N 0 1 243.734 2.154 20 10 BECDMN C[C@@H](NCc1cc[nH]n1)c1cc(F)ccc1O ZINC000094617842 644720752 /nfs/dbraw/zinc/72/07/52/644720752.db2.gz AOWXLUSKKIUOIJ-MRVPVSSYSA-N 0 1 235.262 2.105 20 10 BECDMN C[C@H]1C[C@H](NCc2ccccc2O)c2nccn21 ZINC000393318282 711158007 /nfs/dbraw/zinc/15/80/07/711158007.db2.gz CYAVOGIXFNBFCP-JQWIXIFHSA-N 0 1 243.310 2.384 20 10 BECDMN Cc1nnc([C@@H](C)N[C@H](C)c2ccccc2O)[nH]1 ZINC000392453181 711149057 /nfs/dbraw/zinc/14/90/57/711149057.db2.gz HROGNEVVVRFLKR-RKDXNWHRSA-N 0 1 246.314 2.231 20 10 BECDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](C)O ZINC000395294843 711693714 /nfs/dbraw/zinc/69/37/14/711693714.db2.gz DAEBPFSINKZYIQ-KWQFWETISA-N 0 1 243.734 2.295 20 10 BECDMN Oc1c(F)cc(F)cc1CN1CC[C@H](F)C1 ZINC000708382827 712191751 /nfs/dbraw/zinc/19/17/51/712191751.db2.gz IKILBALQZCIBSU-QMMMGPOBSA-N 0 1 231.217 2.214 20 10 BECDMN Oc1c(F)cc(F)cc1CNCC(F)F ZINC000708391035 712192132 /nfs/dbraw/zinc/19/21/32/712192132.db2.gz SPEMCJIPJSAMMU-UHFFFAOYSA-N 0 1 223.169 2.025 20 10 BECDMN C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CCO1 ZINC000720482331 712847023 /nfs/dbraw/zinc/84/70/23/712847023.db2.gz KPALDNHYDYJACI-SNVBAGLBSA-N 0 1 239.290 2.142 20 10 BECDMN CC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231564121 977637164 /nfs/dbraw/zinc/63/71/64/977637164.db2.gz VPEITVMTLRAHFK-VIFPVBQESA-N 0 1 237.299 2.321 20 10 BECDMN COC1CN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800679 980049511 /nfs/dbraw/zinc/04/95/11/980049511.db2.gz AJDVIEUBTLQCNP-UHFFFAOYSA-N 0 1 245.681 2.015 20 10 BECDMN Cc1ccc(F)c(Nc2ccncc2)c1O ZINC001215735797 970820677 /nfs/dbraw/zinc/82/06/77/970820677.db2.gz FXJRZSJOUNZNMV-UHFFFAOYSA-N 0 1 218.231 2.400 20 10 BECDMN [O-]c1cc(F)cc(F)c1C[NH+]1CC(C(F)F)C1 ZINC001140585265 960443882 /nfs/dbraw/zinc/44/38/82/960443882.db2.gz CAMUOIXEVVDXOF-UHFFFAOYSA-N 0 1 249.207 2.367 20 10 BECDMN Cc1ccc(CN(C)Cc2ccno2)c(O)c1 ZINC001140953580 960763892 /nfs/dbraw/zinc/76/38/92/960763892.db2.gz CITQERZASQBLLM-UHFFFAOYSA-N 0 1 232.283 2.321 20 10 BECDMN Oc1ccc(O)c(CN2CCC(F)(F)CC2)c1 ZINC001141155849 960892255 /nfs/dbraw/zinc/89/22/55/960892255.db2.gz MPUZIKIFWFRUFQ-UHFFFAOYSA-N 0 1 243.253 2.329 20 10 BECDMN C[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000699753272 966068689 /nfs/dbraw/zinc/06/86/89/966068689.db2.gz FPVIOOZGVRCVKY-KWQFWETISA-N 0 1 241.718 2.170 20 10 BECDMN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])CC[C@@]1(C)O ZINC001203550363 966677741 /nfs/dbraw/zinc/67/77/41/966677741.db2.gz TWQILBFSKIMRGC-IUODEOHRSA-N 0 1 249.354 2.375 20 10 BECDMN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])CC[C@@]1(C)O ZINC001203550363 966677752 /nfs/dbraw/zinc/67/77/52/966677752.db2.gz TWQILBFSKIMRGC-IUODEOHRSA-N 0 1 249.354 2.375 20 10 BECDMN COc1ccc(CN2CC(C(F)F)C2)c(O)c1 ZINC001203634986 966714375 /nfs/dbraw/zinc/71/43/75/966714375.db2.gz FHSQVOQZFRIGDP-UHFFFAOYSA-N 0 1 243.253 2.098 20 10 BECDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCCOC1 ZINC001206098965 968063865 /nfs/dbraw/zinc/06/38/65/968063865.db2.gz KDOGHCATNFVTDW-NSHDSACASA-N 0 1 241.718 2.314 20 10 BECDMN CCN(Cc1ccnn1C)Cc1ccccc1O ZINC001206355689 968253053 /nfs/dbraw/zinc/25/30/53/968253053.db2.gz WWXFYLUTXQWNMK-UHFFFAOYSA-N 0 1 245.326 2.148 20 10 BECDMN COc1cnccc1Nc1cc(F)cc(C)c1O ZINC001211263150 970207925 /nfs/dbraw/zinc/20/79/25/970207925.db2.gz HZJUVNUGTFRPKH-UHFFFAOYSA-N 0 1 248.257 2.409 20 10 BECDMN COc1cnccc1Nc1c(C)cccc1O ZINC001211263584 970207977 /nfs/dbraw/zinc/20/79/77/970207977.db2.gz WGFWTDGTIYCGAW-UHFFFAOYSA-N 0 1 230.267 2.270 20 10 BECDMN C[C@H]1CC[C@H]([NH2+]CC(=O)c2ccc([O-])c(O)c2)C1 ZINC001170108780 970316129 /nfs/dbraw/zinc/31/61/29/970316129.db2.gz DZZBXNSXAQVGLG-ONGXEEELSA-N 0 1 249.310 2.059 20 10 BECDMN Oc1c(F)cccc1Nc1ccncc1 ZINC001173883262 975949519 /nfs/dbraw/zinc/94/95/19/975949519.db2.gz DNDBBGABDIUVGD-UHFFFAOYSA-N 0 1 204.204 2.092 20 10 BECDMN COc1ccc2c(c1)CCN2Cc1cc(C)[nH]n1 ZINC001334281044 976422109 /nfs/dbraw/zinc/42/21/09/976422109.db2.gz SUTUYOWNDMENQJ-UHFFFAOYSA-N 0 1 243.310 2.289 20 10 BECDMN CC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231564119 977637380 /nfs/dbraw/zinc/63/73/80/977637380.db2.gz VPEITVMTLRAHFK-SECBINFHSA-N 0 1 237.299 2.321 20 10 BECDMN CC[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231568950 977637818 /nfs/dbraw/zinc/63/78/18/977637818.db2.gz SLNPXDVZLQPAFK-SNVBAGLBSA-N 0 1 249.310 2.322 20 10 BECDMN Cc1cccc(CN2CCC(=O)[C@@H](C)C2)c1O ZINC001231590991 977642049 /nfs/dbraw/zinc/64/20/49/977642049.db2.gz NEXPDPAAWZSLII-NSHDSACASA-N 0 1 233.311 2.112 20 10 BECDMN Cc1ccc(O)c(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC001594373081 977642495 /nfs/dbraw/zinc/64/24/95/977642495.db2.gz AETUJFMSHSSODG-JTQLQIEISA-N 0 1 249.310 2.138 20 10 BECDMN Cc1cc(C)c(CN2CC3(C2)CCCO3)c(O)c1 ZINC001231841944 977760291 /nfs/dbraw/zinc/76/02/91/977760291.db2.gz HUERFUCWSFYJEO-UHFFFAOYSA-N 0 1 247.338 2.374 20 10 BECDMN C[C@H]1CCCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233009486 978407518 /nfs/dbraw/zinc/40/75/18/978407518.db2.gz XITUSHLKEIIVSH-VIFPVBQESA-N 0 1 237.299 2.178 20 10 BECDMN C[C@H]1CN(Cc2cc(O)c(O)c(O)c2)C2(CC2)C1 ZINC001233015307 978411026 /nfs/dbraw/zinc/41/10/26/978411026.db2.gz JWAPKCBTWJSPQG-SECBINFHSA-N 0 1 249.310 2.178 20 10 BECDMN Oc1cc(CN2CC3CCC2CC3)cc(O)c1O ZINC001233017566 978412875 /nfs/dbraw/zinc/41/28/75/978412875.db2.gz XJKROBNLWGWUQS-UHFFFAOYSA-N 0 1 249.310 2.178 20 10 BECDMN C[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233073815 978461145 /nfs/dbraw/zinc/46/11/45/978461145.db2.gz CZKILUILJFBLQS-SSDOTTSWSA-N 0 1 213.227 2.265 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC001600543423 978702104 /nfs/dbraw/zinc/70/21/04/978702104.db2.gz VUSROONBPGKUBQ-NSHDSACASA-N 0 1 249.310 2.140 20 10 BECDMN C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1ccc(F)cc1O ZINC001603134456 979386422 /nfs/dbraw/zinc/38/64/22/979386422.db2.gz RVJXDDPIGHJUAQ-JGVFFNPUSA-N 0 1 241.262 2.045 20 10 BECDMN C[C@H](CC(=O)[O-])[NH2+][C@H](C)c1ccc(F)cc1O ZINC001603134454 979387170 /nfs/dbraw/zinc/38/71/70/979387170.db2.gz RVJXDDPIGHJUAQ-HTQZYQBOSA-N 0 1 241.262 2.045 20 10 BECDMN CCc1ccc(CN2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001236787745 979733111 /nfs/dbraw/zinc/73/31/11/979733111.db2.gz KRCNSXFPZGWGEY-ZIAGYGMSSA-N 0 1 247.338 2.318 20 10 BECDMN Cc1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c(O)c1 ZINC001605273221 979847301 /nfs/dbraw/zinc/84/73/01/979847301.db2.gz QEDSJFNDDNRQNK-JTQLQIEISA-N 0 1 249.310 2.138 20 10 BECDMN Cn1ccc2c1ncnc2-c1ccc2cncn2c1 ZINC001245895217 987107582 /nfs/dbraw/zinc/10/75/82/987107582.db2.gz SABZWSNVORNPIU-UHFFFAOYSA-N 0 1 249.277 2.283 20 10 BECDMN CCC[N@@H+](CCOC)Cc1c([O-])cccc1F ZINC001137831492 990853181 /nfs/dbraw/zinc/85/31/81/990853181.db2.gz BRVQQSLFBHCAFD-UHFFFAOYSA-N 0 1 241.306 2.390 20 10 BECDMN COC[C@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137831928 990858096 /nfs/dbraw/zinc/85/80/96/990858096.db2.gz SPIIEFUDWVOKHQ-SNVBAGLBSA-N 0 1 239.290 2.142 20 10 BECDMN CC[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139685665 991318411 /nfs/dbraw/zinc/31/84/11/991318411.db2.gz SAKHOOGOIPDUHW-UHFFFAOYSA-N 0 1 201.216 2.122 20 10 BECDMN CCN(Cc1ccnnc1)Cc1ccccc1O ZINC001139985024 991461223 /nfs/dbraw/zinc/46/12/23/991461223.db2.gz HUTCGAUECSXLPZ-UHFFFAOYSA-N 0 1 243.310 2.204 20 10 BECDMN CC[C@@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001560858015 991628447 /nfs/dbraw/zinc/62/84/47/991628447.db2.gz MEAZFQCHJGPWQO-NSHDSACASA-N 0 1 243.734 2.248 20 10 BECDMN CC[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001560858015 991628452 /nfs/dbraw/zinc/62/84/52/991628452.db2.gz MEAZFQCHJGPWQO-NSHDSACASA-N 0 1 243.734 2.248 20 10 BECDMN CC[C@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001560858014 991629152 /nfs/dbraw/zinc/62/91/52/991629152.db2.gz MEAZFQCHJGPWQO-LLVKDONJSA-N 0 1 243.734 2.248 20 10 BECDMN CC[C@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001560858014 991629154 /nfs/dbraw/zinc/62/91/54/991629154.db2.gz MEAZFQCHJGPWQO-LLVKDONJSA-N 0 1 243.734 2.248 20 10 BECDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(O)CC1 ZINC001140461335 991644165 /nfs/dbraw/zinc/64/41/65/991644165.db2.gz IFDCBFAVTUYBEK-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCOCC1 ZINC001140461151 991644644 /nfs/dbraw/zinc/64/46/44/991644644.db2.gz FLWVBUGFSSTURD-UHFFFAOYSA-N 0 1 241.718 2.268 20 10 BECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCOCC1 ZINC001140461151 991644648 /nfs/dbraw/zinc/64/46/48/991644648.db2.gz FLWVBUGFSSTURD-UHFFFAOYSA-N 0 1 241.718 2.268 20 10 BECDMN Oc1cc2ccccc2cc1CN1CCOCC1 ZINC000020806876 1170154472 /nfs/dbraw/zinc/15/44/72/1170154472.db2.gz JFJXHOPSPGOLNE-UHFFFAOYSA-N 0 1 243.306 2.378 20 10 BECDMN Cc1cc(CN[C@H]2CCc3cccc(O)c32)on1 ZINC000297608261 178041391 /nfs/dbraw/zinc/04/13/91/178041391.db2.gz IIQVPRIBMVVFES-LBPRGKRZSA-N 0 1 244.294 2.466 20 10 BECDMN Cc1ccc(O)c(CNCc2nccs2)c1 ZINC000070955288 384143586 /nfs/dbraw/zinc/14/35/86/384143586.db2.gz FALCUMNASNVTOW-UHFFFAOYSA-N 0 1 234.324 2.447 20 10 BECDMN C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976143 384145253 /nfs/dbraw/zinc/14/52/53/384145253.db2.gz CNVHRNWTQDRHTK-GFCCVEGCSA-N 0 1 221.300 2.003 20 10 BECDMN C[C@H]1OCCN(Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000093417623 384234870 /nfs/dbraw/zinc/23/48/70/384234870.db2.gz ODIYBPQUZMKDTA-QWHCGFSZSA-N 0 1 248.370 2.362 20 10 BECDMN CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134904672 384398255 /nfs/dbraw/zinc/39/82/55/384398255.db2.gz JREGTZXMLWDEAK-WCBMZHEXSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@@H](CO)[C@@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000123206716 384540799 /nfs/dbraw/zinc/54/07/99/384540799.db2.gz ZRPSFUUYQJYEQH-DTWKUNHWSA-N 0 1 243.734 2.152 20 10 BECDMN CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1O ZINC000271244486 385809343 /nfs/dbraw/zinc/80/93/43/385809343.db2.gz BUTKZVBYTHHKCH-WFASDCNBSA-N 0 1 249.354 2.212 20 10 BECDMN C[C@@H](O)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000227954105 386524320 /nfs/dbraw/zinc/52/43/20/386524320.db2.gz GTPQLDGNSTYCOG-SECBINFHSA-N 0 1 243.734 2.296 20 10 BECDMN COC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000293720855 386866342 /nfs/dbraw/zinc/86/63/42/386866342.db2.gz TZBZXBONVGNGFU-JTQLQIEISA-N 0 1 241.718 2.266 20 10 BECDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2ccccc2O)C1 ZINC000368225658 386952025 /nfs/dbraw/zinc/95/20/25/386952025.db2.gz LWZLJCBYXPTLDE-OAHLLOKOSA-N 0 1 249.354 2.233 20 10 BECDMN C[C@@H]([NH2+]CC1COC1)c1cc(Cl)ccc1[O-] ZINC000528026172 387830903 /nfs/dbraw/zinc/83/09/03/387830903.db2.gz PBMOWTGUOIFMTN-MRVPVSSYSA-N 0 1 241.718 2.343 20 10 BECDMN C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134913680 388481739 /nfs/dbraw/zinc/48/17/39/388481739.db2.gz CASBAUFVGCNWLF-HTQZYQBOSA-N 0 1 229.707 2.077 20 10 BECDMN Oc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000179577212 134321789 /nfs/dbraw/zinc/32/17/89/134321789.db2.gz MEDLBVSQORUUKF-UKRRQHHQSA-N 0 1 247.338 2.393 20 10 BECDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(N)cc1 ZINC000036797826 171114232 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ZINC000827152686 587371349 /nfs/dbraw/zinc/37/13/49/587371349.db2.gz UTQZOJDPQJVZKV-OAHLLOKOSA-N 0 1 247.338 2.129 20 10 BECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CCO)c(Cl)c1 ZINC000840899498 587928690 /nfs/dbraw/zinc/92/86/90/587928690.db2.gz NULBQFLPURRGCR-VIFPVBQESA-N 0 1 243.734 2.215 20 10 BECDMN CCc1cccc(CN2CC(C)(OC)C2)c1O ZINC000848912210 588418324 /nfs/dbraw/zinc/41/83/24/588418324.db2.gz OFFDVYWQABVVAM-UHFFFAOYSA-N 0 1 235.327 2.175 20 10 BECDMN CCCNC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849049541 588451488 /nfs/dbraw/zinc/45/14/88/588451488.db2.gz RVUJARIGMYILLJ-UHFFFAOYSA-N 0 1 241.722 2.070 20 10 BECDMN Clc1cnc(SCCc2c[nH]nn2)s1 ZINC000850002288 588514033 /nfs/dbraw/zinc/51/40/33/588514033.db2.gz ZMKVCDDQLXXFAK-UHFFFAOYSA-N 0 1 246.748 2.249 20 10 BECDMN C[C@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCOC1 ZINC000120158851 589384805 /nfs/dbraw/zinc/38/48/05/589384805.db2.gz VZIVZPIROQOLOF-LBPRGKRZSA-N 0 1 241.718 2.314 20 10 BECDMN Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000124811972 590090736 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ZINC000817413883 586801460 /nfs/dbraw/zinc/80/14/60/586801460.db2.gz CFVOJRPAMLVNAJ-TZMCWYRMSA-N 0 1 249.354 2.354 20 10 BECDMN Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000817414055 586801613 /nfs/dbraw/zinc/80/16/13/586801613.db2.gz FDSGWHZLTQEQGD-YPMHNXCESA-N 0 1 235.327 2.046 20 10 BECDMN Cc1cc([C@@H](C)NCCc2ccc(N)cc2)no1 ZINC000817956677 586850869 /nfs/dbraw/zinc/85/08/69/586850869.db2.gz ALZATLXPSRJCFD-LLVKDONJSA-N 0 1 245.326 2.459 20 10 BECDMN CC[C@H]([NH2+]C[C@@H](C)N)c1cccc(Cl)c1[O-] ZINC000817973815 586860461 /nfs/dbraw/zinc/86/04/61/586860461.db2.gz WWAXPNMUEIRXSN-KCJUWKMLSA-N 0 1 242.750 2.434 20 10 BECDMN Cc1ccc(O)c(CN(C(C)C)C2COC2)c1 ZINC000824472350 587271430 /nfs/dbraw/zinc/27/14/30/587271430.db2.gz QWSKNVJSABMNQJ-UHFFFAOYSA-N 0 1 235.327 2.310 20 10 BECDMN CCn1ccnc1[C@H](C)NCc1ccccc1O ZINC000825005663 587298102 /nfs/dbraw/zinc/29/81/02/587298102.db2.gz PRXWTWDJEAOPIN-NSHDSACASA-N 0 1 245.326 2.459 20 10 BECDMN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1O 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590241417 /nfs/dbraw/zinc/24/14/17/590241417.db2.gz CCGFYWSYRQITHL-OAHLLOKOSA-N 0 1 247.338 2.313 20 10 BECDMN CO[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1O ZINC000877522825 590346076 /nfs/dbraw/zinc/34/60/76/590346076.db2.gz HDTWGBWNYCHEAQ-NSHDSACASA-N 0 1 223.316 2.167 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1CCC[C@H](O)CC1 ZINC000877554555 590356177 /nfs/dbraw/zinc/35/61/77/590356177.db2.gz KGXDWXUWXRRMRK-LBPRGKRZSA-N 0 1 235.327 2.047 20 10 BECDMN Cc1ccc(CN(C2CC2)C2COC2)c(O)c1 ZINC000877557731 590358884 /nfs/dbraw/zinc/35/88/84/590358884.db2.gz PGOSIHFJZHVAGU-UHFFFAOYSA-N 0 1 233.311 2.064 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000877630264 590378468 /nfs/dbraw/zinc/37/84/68/590378468.db2.gz DIETUYGUNXPHOB-SWLSCSKDSA-N 0 1 247.338 2.169 20 10 BECDMN CC(C)[C@H]1CN(Cc2ccccc2O)CC[N@@H+]1C ZINC000877751193 590414567 /nfs/dbraw/zinc/41/45/67/590414567.db2.gz YABPYFXUJBRJEK-CQSZACIVSA-N 0 1 248.370 2.164 20 10 BECDMN CC(C)[C@H]1CN(Cc2ccccc2O)CC[N@H+]1C ZINC000877751193 590414570 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2.117 20 10 BECDMN CC[N@@H+](Cc1c([O-])cccc1F)CC(C)(C)O ZINC001137838763 990856692 /nfs/dbraw/zinc/85/66/92/990856692.db2.gz KBJXJUAMHCNBJD-UHFFFAOYSA-N 0 1 241.306 2.124 20 10 BECDMN [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001138128671 990886646 /nfs/dbraw/zinc/88/66/46/990886646.db2.gz UFOGTVYROSJTGS-NHCYSSNCSA-N 0 1 239.265 2.464 20 10 BECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001139681155 991314927 /nfs/dbraw/zinc/31/49/27/991314927.db2.gz JWAUNXSMPIOPSO-OCAPTIKFSA-N 0 1 225.238 2.122 20 10 BECDMN CSCC[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139688047 991316710 /nfs/dbraw/zinc/31/67/10/991316710.db2.gz XJOHHJVTMBUKCZ-UHFFFAOYSA-N 0 1 247.310 2.465 20 10 BECDMN Cc1ccc(C)c(CN2CCOC[C@@H]2C)c1O ZINC001140178510 991550863 /nfs/dbraw/zinc/55/08/63/991550863.db2.gz NDCFIRHVGRZKBA-LBPRGKRZSA-N 0 1 235.327 2.230 20 10 BECDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])CO1 ZINC001621421442 1170804925 /nfs/dbraw/zinc/80/49/25/1170804925.db2.gz URMFCJKJROABRN-KCJUWKMLSA-N 0 1 241.718 2.313 20 10 BECDMN C[C@@H]1CN(Cc2ccc(N)cc2)CC(C)(C)O1 ZINC000045661734 1171454187 /nfs/dbraw/zinc/45/41/87/1171454187.db2.gz VZGGDHBHKPSJKF-LLVKDONJSA-N 0 1 234.343 2.268 20 10 BECDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1C ZINC000294697754 178195516 /nfs/dbraw/zinc/19/55/16/178195516.db2.gz AZFALOCZIFZPID-TZMCWYRMSA-N 0 1 249.354 2.354 20 10 BECDMN Cc1nc(CNCc2ccccc2O)cs1 ZINC000041010307 343412612 /nfs/dbraw/zinc/41/26/12/343412612.db2.gz AGLRTCCTJDKTAN-UHFFFAOYSA-N 0 1 234.324 2.447 20 10 BECDMN [O-]c1c(Cl)cccc1C[N@H+](CCO)C1CC1 ZINC000132490954 183070713 /nfs/dbraw/zinc/07/07/13/183070713.db2.gz HKROGMSCGYQSKF-UHFFFAOYSA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1CO ZINC000132495283 183120527 /nfs/dbraw/zinc/12/05/27/183120527.db2.gz COINNAJGCVIGME-JTQLQIEISA-N 0 1 241.718 2.002 20 10 BECDMN Cc1ccc([C@@H](C)NCc2nccn2C)c(O)c1 ZINC000071273085 384159373 /nfs/dbraw/zinc/15/93/73/384159373.db2.gz NREQDJHUNKTKSO-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000211695132 384181147 /nfs/dbraw/zinc/18/11/47/384181147.db2.gz UWKGDHJGFGRNHE-BETUJISGSA-N 0 1 233.311 2.064 20 10 BECDMN CC(C)N(Cc1ccc(N(C)C)cc1)C1COC1 ZINC000295973808 386118210 /nfs/dbraw/zinc/11/82/10/386118210.db2.gz IWKXJZBWPIMVAR-UHFFFAOYSA-N 0 1 248.370 2.362 20 10 BECDMN Cc1ccc(O)c(CN(C2CC2)C2COC2)c1 ZINC000296106589 386138376 /nfs/dbraw/zinc/13/83/76/386138376.db2.gz SDISJYVJYKAKSA-UHFFFAOYSA-N 0 1 233.311 2.064 20 10 BECDMN CCOc1cccc(CN(C)CCF)c1O ZINC000293613989 386662545 /nfs/dbraw/zinc/66/25/45/386662545.db2.gz KFGZMIJIADFXCR-UHFFFAOYSA-N 0 1 227.279 2.192 20 10 BECDMN CN(C)Cc1c(O)cccc1Br ZINC000575553063 387655803 /nfs/dbraw/zinc/65/58/03/387655803.db2.gz UDCWEPRMJQEUHU-UHFFFAOYSA-N 0 1 230.105 2.216 20 10 BECDMN Oc1ccccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000179583411 134322284 /nfs/dbraw/zinc/32/22/84/134322284.db2.gz PWSMUMVJBPUESG-CQSZACIVSA-N 0 1 233.311 2.005 20 10 BECDMN CCOCC[N@@H+](CC)Cc1cccc(F)c1[O-] ZINC000160236587 170396529 /nfs/dbraw/zinc/39/65/29/170396529.db2.gz CORRQYAPRRGVFO-UHFFFAOYSA-N 0 1 241.306 2.390 20 10 BECDMN C[C@H]1CSCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000272253595 177305448 /nfs/dbraw/zinc/30/54/48/177305448.db2.gz ITSNBPJFZOSADA-VIFPVBQESA-N 0 1 241.331 2.469 20 10 BECDMN C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)CCN1C ZINC000179579740 177327163 /nfs/dbraw/zinc/32/71/63/177327163.db2.gz HFPNXVCRNNKZCV-JSGCOSHPSA-N 0 1 248.370 2.307 20 10 BECDMN COc1ccc(O)c([C@H](C)NCc2ccno2)c1 ZINC000223739689 582816055 /nfs/dbraw/zinc/81/60/55/582816055.db2.gz YEIKPHAOCFTUAS-VIFPVBQESA-N 0 1 248.282 2.240 20 10 BECDMN Cc1ncoc1CNCc1ccc(N(C)C)cc1 ZINC000894161721 583320883 /nfs/dbraw/zinc/32/08/83/583320883.db2.gz XACRUAGKKSPAPU-UHFFFAOYSA-N 0 1 245.326 2.339 20 10 BECDMN Cc1ccc(C[N@H+](C)[C@@H]2CCCOC2)c(O)c1 ZINC000877515513 583322108 /nfs/dbraw/zinc/32/21/08/583322108.db2.gz HRCDIAOUYCWPST-CYBMUJFWSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1ccc(C[N@H+]2CCCCC[C@H]2CO)c(O)c1 ZINC000895152227 583607044 /nfs/dbraw/zinc/60/70/44/583607044.db2.gz YXRNFRDDVJWVNR-AWEZNQCLSA-N 0 1 249.354 2.438 20 10 BECDMN Cc1ccc(C[N@H+]2CCCCC[C@@H]2CO)c(O)c1 ZINC000895152231 583607090 /nfs/dbraw/zinc/60/70/90/583607090.db2.gz YXRNFRDDVJWVNR-CQSZACIVSA-N 0 1 249.354 2.438 20 10 BECDMN COC1CN(Cc2c(O)ccc3ccccc32)C1 ZINC000738225300 584885447 /nfs/dbraw/zinc/88/54/47/584885447.db2.gz MHMFQIZOUVIQTA-UHFFFAOYSA-N 0 1 243.306 2.376 20 10 BECDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC000839131841 585094082 /nfs/dbraw/zinc/09/40/82/585094082.db2.gz PNVOFXLQLAUOGG-TXEJJXNPSA-N 0 1 231.295 2.088 20 10 BECDMN CCOC1(C)CN(Cc2cc(C)ccc2O)C1 ZINC000839141796 585094867 /nfs/dbraw/zinc/09/48/67/585094867.db2.gz ADQOYHUXKKOTOZ-UHFFFAOYSA-N 0 1 235.327 2.311 20 10 BECDMN Oc1c(F)cc(Cl)cc1CN1CC(F)C1 ZINC000753577005 585262244 /nfs/dbraw/zinc/26/22/44/585262244.db2.gz QKEGAONZBKUMQQ-UHFFFAOYSA-N 0 1 233.645 2.338 20 10 BECDMN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000788268504 585919980 /nfs/dbraw/zinc/91/99/80/585919980.db2.gz DVSFCMQEYSFKQB-LDYMZIIASA-N 0 1 241.718 2.001 20 10 BECDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000788268504 585919981 /nfs/dbraw/zinc/91/99/81/585919981.db2.gz DVSFCMQEYSFKQB-LDYMZIIASA-N 0 1 241.718 2.001 20 10 BECDMN Cc1cccc(NCCc2ccc(O)c(O)c2)n1 ZINC000811810787 586567146 /nfs/dbraw/zinc/56/71/46/586567146.db2.gz CDMKKGTZRDLZAP-UHFFFAOYSA-N 0 1 244.294 2.456 20 10 BECDMN C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816538021 586738945 /nfs/dbraw/zinc/73/89/45/586738945.db2.gz BLXIFFUQULTDLQ-SNVBAGLBSA-N 0 1 231.295 2.016 20 10 BECDMN CC[C@@H]1CN(C)CC[N@H+]1Cc1cccc(C)c1O ZINC000816660763 586752823 /nfs/dbraw/zinc/75/28/23/586752823.db2.gz OKQFGORJYQWFIX-CQSZACIVSA-N 0 1 248.370 2.227 20 10 BECDMN Cc1cccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000817412734 586801449 /nfs/dbraw/zinc/80/14/49/586801449.db2.gz OQNWATWZPYIXPT-AAEUAGOBSA-N 0 1 249.354 2.151 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1 ZINC000817412091 586801874 /nfs/dbraw/zinc/80/18/74/586801874.db2.gz CUOVPQMIPAVMDU-OLZOCXBDSA-N 0 1 249.354 2.151 20 10 BECDMN CC[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825070839 587303018 /nfs/dbraw/zinc/30/30/18/587303018.db2.gz MZADTJNNMRSCOF-SNVBAGLBSA-N 0 1 243.734 2.215 20 10 BECDMN Oc1ccccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134172 587306041 /nfs/dbraw/zinc/30/60/41/587306041.db2.gz WLANGSMTKNIBEM-HNNXBMFYSA-N 0 1 247.338 2.395 20 10 BECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC2)cc1Cl ZINC000825371433 587317608 /nfs/dbraw/zinc/31/76/08/587317608.db2.gz XIYRRNXNIKTHAV-SNVBAGLBSA-N 0 1 241.718 2.233 20 10 BECDMN Cc1cc([O-])c(C[NH2+]C(C)(C)CO)cc1Cl ZINC000825425600 587318626 /nfs/dbraw/zinc/31/86/26/587318626.db2.gz DHYDQNALYGQOIX-UHFFFAOYSA-N 0 1 243.734 2.215 20 10 BECDMN Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000827151984 587371425 /nfs/dbraw/zinc/37/14/25/587371425.db2.gz ONTBQQZFUSAJIF-IMRBUKKESA-N 0 1 249.354 2.149 20 10 BECDMN CCc1cccc(C[N@H+]2CCC3(COC3)C2)c1O ZINC000827643428 587394223 /nfs/dbraw/zinc/39/42/23/587394223.db2.gz LMVISRWVRLKQSG-UHFFFAOYSA-N 0 1 247.338 2.177 20 10 BECDMN CC[N@H+](CCO)Cc1c([O-])cc(C)cc1Cl ZINC000840907295 587928808 /nfs/dbraw/zinc/92/88/08/587928808.db2.gz CAVOZDZZGSGMFA-UHFFFAOYSA-N 0 1 243.734 2.168 20 10 BECDMN CC[N@@H+](CCO)Cc1c([O-])cc(C)cc1Cl ZINC000840907295 587928809 /nfs/dbraw/zinc/92/88/09/587928809.db2.gz CAVOZDZZGSGMFA-UHFFFAOYSA-N 0 1 243.734 2.168 20 10 BECDMN CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745119 587973872 /nfs/dbraw/zinc/97/38/72/587973872.db2.gz UQCDBNPNUUIQLY-WCBMZHEXSA-N 0 1 243.734 2.467 20 10 BECDMN Cc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1O ZINC000844935601 588219460 /nfs/dbraw/zinc/21/94/60/588219460.db2.gz QOLCSGOOLLGGQZ-ZYHUDNBSSA-N 0 1 249.310 2.138 20 10 BECDMN CCc1cccc(C[N@@H+](CCCO)C2CC2)c1O ZINC000848887461 588416914 /nfs/dbraw/zinc/41/69/14/588416914.db2.gz WZGBCWKKGUTMFN-UHFFFAOYSA-N 0 1 249.354 2.301 20 10 BECDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862439780 589212920 /nfs/dbraw/zinc/21/29/20/589212920.db2.gz BJFGAYBGPPQPRI-DTORHVGOSA-N 0 1 223.703 2.497 20 10 BECDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862439780 589212921 /nfs/dbraw/zinc/21/29/21/589212921.db2.gz BJFGAYBGPPQPRI-DTORHVGOSA-N 0 1 223.703 2.497 20 10 BECDMN C[C@H]([NH2+]CC(C)(C)CO)c1cc(F)ccc1[O-] ZINC000122035483 589550266 /nfs/dbraw/zinc/55/02/66/589550266.db2.gz VMTHINQOISVWAQ-VIFPVBQESA-N 0 1 241.306 2.200 20 10 BECDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(O)CCC1 ZINC000123175594 589670958 /nfs/dbraw/zinc/67/09/58/589670958.db2.gz KELNFZINHRXZMM-UHFFFAOYSA-N 0 1 241.718 2.050 20 10 BECDMN CC[C@@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC000876561321 590215778 /nfs/dbraw/zinc/21/57/78/590215778.db2.gz QYGZBQYSCCMNHY-CYBMUJFWSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1cccc(O)c1CN(C)Cc1cnccn1 ZINC000876644457 590225659 /nfs/dbraw/zinc/22/56/59/590225659.db2.gz XOUJTNZAVGGEHT-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN Cc1cccc(O)c1C[N@@H+]1CCCOC[C@H]1C ZINC000876751971 590238325 /nfs/dbraw/zinc/23/83/25/590238325.db2.gz CEECMMOEVBNPPH-GFCCVEGCSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)c(O)c1 ZINC000876789005 590240804 /nfs/dbraw/zinc/24/08/04/590240804.db2.gz QOWALNGEUBSATC-LBPRGKRZSA-N 0 1 235.327 2.169 20 10 BECDMN Cc1ccc(CNCc2nccs2)c(O)c1 ZINC000876954571 590260853 /nfs/dbraw/zinc/26/08/53/590260853.db2.gz LWEFASPSACZOLT-UHFFFAOYSA-N 0 1 234.324 2.447 20 10 BECDMN Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c(O)c1 ZINC000877170321 590296030 /nfs/dbraw/zinc/29/60/30/590296030.db2.gz MBXZPXSBGNLQEL-QWHCGFSZSA-N 0 1 249.354 2.293 20 10 BECDMN Cc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(O)c1 ZINC000877409687 590323697 /nfs/dbraw/zinc/32/36/97/590323697.db2.gz XZEXVQYYXKPBCQ-OLZOCXBDSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c(O)c1 ZINC000877409687 590323699 /nfs/dbraw/zinc/32/36/99/590323699.db2.gz XZEXVQYYXKPBCQ-OLZOCXBDSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(O)c1 ZINC000877407057 590324355 /nfs/dbraw/zinc/32/43/55/590324355.db2.gz MEYWLNFEZYYSJQ-CHWSQXEVSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c(O)c1 ZINC000877407057 590324357 /nfs/dbraw/zinc/32/43/57/590324357.db2.gz MEYWLNFEZYYSJQ-CHWSQXEVSA-N 0 1 248.370 2.225 20 10 BECDMN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c(O)c1 ZINC000877591608 590368518 /nfs/dbraw/zinc/36/85/18/590368518.db2.gz HCARICPRXCIELE-JSGCOSHPSA-N 0 1 249.354 2.293 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000877630263 590377972 /nfs/dbraw/zinc/37/79/72/590377972.db2.gz DIETUYGUNXPHOB-IUODEOHRSA-N 0 1 247.338 2.169 20 10 BECDMN COc1cc(CN[C@@H](C)c2ccccc2O)on1 ZINC000879649636 590842472 /nfs/dbraw/zinc/84/24/72/590842472.db2.gz ACUYNDSJCHXIDM-VIFPVBQESA-N 0 1 248.282 2.240 20 10 BECDMN Cc1ccc([C@@H](C)NCc2ccn(C)n2)c(O)c1 ZINC000213127682 591449117 /nfs/dbraw/zinc/44/91/17/591449117.db2.gz XRMHQHZJPQDBKR-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN C[C@@H]([NH2+][C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000134937871 591962310 /nfs/dbraw/zinc/96/23/10/591962310.db2.gz UANMTUBUNYAWPD-SCZZXKLOSA-N 0 1 241.718 2.485 20 10 BECDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000300045221 592501611 /nfs/dbraw/zinc/50/16/11/592501611.db2.gz ICYNKNKZVVSSAX-LLVKDONJSA-N 0 1 241.718 2.266 20 10 BECDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000300045221 592501613 /nfs/dbraw/zinc/50/16/13/592501613.db2.gz ICYNKNKZVVSSAX-LLVKDONJSA-N 0 1 241.718 2.266 20 10 BECDMN C[N@@H+](CC(=O)[O-])Cc1c(O)ccc2ccccc21 ZINC000039193036 597054370 /nfs/dbraw/zinc/05/43/70/597054370.db2.gz HVHYYDPPHMWXMR-UHFFFAOYSA-N 0 1 245.278 2.062 20 10 BECDMN CC[C@H]([NH2+]CCO)c1cc(Cl)ccc1[O-] ZINC000309191328 632743850 /nfs/dbraw/zinc/74/38/50/632743850.db2.gz PSGHWWDTZSTGSJ-JTQLQIEISA-N 0 1 229.707 2.079 20 10 BECDMN C[C@@H](NCc1nccn1C)c1cc(F)ccc1O ZINC000094618190 635378306 /nfs/dbraw/zinc/37/83/06/635378306.db2.gz YOWCLNGPXMFITM-SECBINFHSA-N 0 1 249.289 2.116 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000164231269 640457299 /nfs/dbraw/zinc/45/72/99/640457299.db2.gz AHKVOWSNVTXDOK-ZYHUDNBSSA-N 0 1 241.718 2.049 20 10 BECDMN CCOc1cccc(CNCc2ccno2)c1O ZINC000231883370 641211943 /nfs/dbraw/zinc/21/19/43/641211943.db2.gz UHEYWDBMLLCAAJ-UHFFFAOYSA-N 0 1 248.282 2.069 20 10 BECDMN C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(N(C)C)cc1 ZINC000088750662 641387116 /nfs/dbraw/zinc/38/71/16/641387116.db2.gz VSLRIPQVJLHLMZ-LLVKDONJSA-N 0 1 244.342 2.327 20 10 BECDMN Cc1ccc([C@H](C)NCc2cc[nH]n2)c(O)c1 ZINC000041014725 641539758 /nfs/dbraw/zinc/53/97/58/641539758.db2.gz RATXWMUDNJHLAX-JTQLQIEISA-N 0 1 231.299 2.275 20 10 BECDMN CSCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000068890380 642807431 /nfs/dbraw/zinc/80/74/31/642807431.db2.gz UHBNSJUAHYRQGQ-UHFFFAOYSA-N 0 1 231.748 2.498 20 10 BECDMN Cc1cc(CNCc2cc(C)ccc2O)on1 ZINC000071408710 643141511 /nfs/dbraw/zinc/14/15/11/643141511.db2.gz HEXWPPPJFXJBFG-UHFFFAOYSA-N 0 1 232.283 2.287 20 10 BECDMN COCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792162862 644791347 /nfs/dbraw/zinc/79/13/47/644791347.db2.gz QOVONTDJGKTMHK-UHFFFAOYSA-N 0 1 247.697 2.263 20 10 BECDMN Cc1ccc(C[N@@H+](C)CC2=CCCOC2)c(O)c1 ZINC000877628304 645804857 /nfs/dbraw/zinc/80/48/57/645804857.db2.gz GMJPMHUXWVANSU-UHFFFAOYSA-N 0 1 247.338 2.479 20 10 BECDMN C[C@H]([NH2+]C/C=C\CO)c1cc(Cl)ccc1[O-] ZINC000850507201 711677675 /nfs/dbraw/zinc/67/76/75/711677675.db2.gz DTPBJBXDRVWNNL-XADBCAIWSA-N 0 1 241.718 2.245 20 10 BECDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](C)O ZINC000395294844 711207398 /nfs/dbraw/zinc/20/73/98/711207398.db2.gz DAEBPFSINKZYIQ-LDYMZIIASA-N 0 1 243.734 2.295 20 10 BECDMN COCCN(CCF)Cc1cccc(C)c1O ZINC000700401779 711992158 /nfs/dbraw/zinc/99/21/58/711992158.db2.gz AQUJAUJOMRAWDA-UHFFFAOYSA-N 0 1 241.306 2.119 20 10 BECDMN COc1ccc(CN2CC(F)C2)c(O)c1Cl ZINC001236800694 979741056 /nfs/dbraw/zinc/74/10/56/979741056.db2.gz DDACXDIWZQGXGT-UHFFFAOYSA-N 0 1 245.681 2.208 20 10 BECDMN Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1 ZINC000086791612 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/nfs/dbraw/zinc/92/86/14/966928614.db2.gz ADTWSAWTAUSBCS-IUODEOHRSA-N 0 1 249.354 2.375 20 10 BECDMN COc1cc(CN2CCCCC2)cc(O)c1O ZINC001204340083 966973947 /nfs/dbraw/zinc/97/39/47/966973947.db2.gz BGDJUYCVCAFBSV-UHFFFAOYSA-N 0 1 237.299 2.092 20 10 BECDMN [O-]c1cc(Cl)ccc1C[NH2+]C1(CO)CCC1 ZINC001204999493 967278579 /nfs/dbraw/zinc/27/85/79/967278579.db2.gz CQAYNCCLFDDBMF-UHFFFAOYSA-N 0 1 241.718 2.050 20 10 BECDMN CCc1nnc(-c2cc(O)c(O)c(Cl)c2)o1 ZINC001255144826 969951474 /nfs/dbraw/zinc/95/14/74/969951474.db2.gz MTLQKSNDXVQFLZ-UHFFFAOYSA-N 0 1 240.646 2.364 20 10 BECDMN COc1cnccc1Nc1ccc(C)cc1O ZINC001211260972 970207590 /nfs/dbraw/zinc/20/75/90/970207590.db2.gz VJYKNGFQHBUKCZ-UHFFFAOYSA-N 0 1 230.267 2.270 20 10 BECDMN C[C@@H]1CC[C@@H]([NH2+]CC(=O)c2ccc([O-])c(O)c2)C1 ZINC001170108779 970318112 /nfs/dbraw/zinc/31/81/12/970318112.db2.gz DZZBXNSXAQVGLG-MWLCHTKSSA-N 0 1 249.310 2.059 20 10 BECDMN C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231447049 977591527 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VCQUYRBTXCJRAN-UHFFFAOYSA-N 0 1 215.680 2.116 20 10 BECDMN Oc1cc(CN2CCC3(CCC3)C2)cc(O)c1O ZINC001233017191 978413764 /nfs/dbraw/zinc/41/37/64/978413764.db2.gz UKGMEOMFAPDZBU-UHFFFAOYSA-N 0 1 249.310 2.179 20 10 BECDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1F ZINC001233074901 978460327 /nfs/dbraw/zinc/46/03/27/978460327.db2.gz ZQZUCXUMZNXHGT-XCBNKYQSSA-N 0 1 245.244 2.460 20 10 BECDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1F ZINC001233074901 978460335 /nfs/dbraw/zinc/46/03/35/978460335.db2.gz ZQZUCXUMZNXHGT-XCBNKYQSSA-N 0 1 245.244 2.460 20 10 BECDMN COc1cc(Cl)cc(CN2CC=CC2)c1O ZINC001233287440 978534977 /nfs/dbraw/zinc/53/49/77/978534977.db2.gz PVNAXLVLGNDYJE-UHFFFAOYSA-N 0 1 239.702 2.426 20 10 BECDMN CCc1ccc(CN2CCOC[C@H]2C)c(O)c1 ZINC001236782851 979728583 /nfs/dbraw/zinc/72/85/83/979728583.db2.gz FSCASYSVMIBGGP-LLVKDONJSA-N 0 1 235.327 2.175 20 10 BECDMN CCc1ccc(C[N@H+]2CC[C@H](C(C)=O)C2)c(O)c1 ZINC001236792767 979737229 /nfs/dbraw/zinc/73/72/29/979737229.db2.gz QZLMODLDZBCSQE-ZDUSSCGKSA-N 0 1 247.338 2.366 20 10 BECDMN CC[C@@H](C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193624957 981390247 /nfs/dbraw/zinc/39/02/47/981390247.db2.gz AZRHXDACBGGJFY-ZCFIWIBFSA-N 0 1 243.690 2.280 20 10 BECDMN Cn1ccc2c1ccnc2-c1ccc(=O)[nH]c1 ZINC001242059882 983269713 /nfs/dbraw/zinc/26/97/13/983269713.db2.gz QPFNWTDXQBKZQK-UHFFFAOYSA-N 0 1 225.251 2.341 20 10 BECDMN CCc1cccc(CN2CCOC[C@H]2C)c1O ZINC000692110396 985408884 /nfs/dbraw/zinc/40/88/84/985408884.db2.gz UNHINXUNXRYXSE-LLVKDONJSA-N 0 1 235.327 2.175 20 10 BECDMN [O-]c1cc(Cl)ccc1C[NH2+]C1CSC1 ZINC001474718918 987807930 /nfs/dbraw/zinc/80/79/30/987807930.db2.gz JPDXNUUGRKCNMP-UHFFFAOYSA-N 0 1 229.732 2.251 20 10 BECDMN C[C@@H]1CN(Cc2ccc(N)cc2)C2(CCC2)CO1 ZINC001120269637 989625208 /nfs/dbraw/zinc/62/52/08/989625208.db2.gz WVLFOWDSWTXSJY-GFCCVEGCSA-N 0 1 246.354 2.412 20 10 BECDMN CC(C)[N@@H+](CCCO)Cc1c([O-])cccc1F ZINC001137837370 990857968 /nfs/dbraw/zinc/85/79/68/990857968.db2.gz DIVNHXJMXHCAQB-UHFFFAOYSA-N 0 1 241.306 2.124 20 10 BECDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1F ZINC001138122387 990884927 /nfs/dbraw/zinc/88/49/27/990884927.db2.gz ATZAAWTURSUBJP-KCJUWKMLSA-N 0 1 227.254 2.321 20 10 BECDMN C[C@H](CCO)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001308845108 991173943 /nfs/dbraw/zinc/17/39/43/991173943.db2.gz ZJUGWZYCAMJHMM-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](CCO)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308845108 991173953 /nfs/dbraw/zinc/17/39/53/991173953.db2.gz ZJUGWZYCAMJHMM-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN C[C@H](CCO)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308845108 991173959 /nfs/dbraw/zinc/17/39/59/991173959.db2.gz ZJUGWZYCAMJHMM-SECBINFHSA-N 0 1 243.734 2.248 20 10 BECDMN Cc1cc(CN(C)CCF)ccc1N(C)C ZINC001139673939 991309739 /nfs/dbraw/zinc/30/97/39/991309739.db2.gz JKSRLMAFUXAIGJ-UHFFFAOYSA-N 0 1 224.323 2.462 20 10 BECDMN C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])CO1 ZINC001621421443 1170803862 /nfs/dbraw/zinc/80/38/62/1170803862.db2.gz URMFCJKJROABRN-KWQFWETISA-N 0 1 241.718 2.313 20 10 BECDMN Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCOC2)cc1C ZINC000176100300 178194520 /nfs/dbraw/zinc/19/45/20/178194520.db2.gz ZQSMAUNRNSVDSK-ZDUSSCGKSA-N 0 1 249.354 2.477 20 10 BECDMN Cc1cccc(CNCc2nccs2)c1O ZINC000162828672 179096820 /nfs/dbraw/zinc/09/68/20/179096820.db2.gz DOJDMZLNFUMPQF-UHFFFAOYSA-N 0 1 234.324 2.447 20 10 BECDMN Cc1[nH]ncc1CN(C)c1ccc2c(c1)OCO2 ZINC000180760289 179844909 /nfs/dbraw/zinc/84/49/09/179844909.db2.gz UPUIFUAHGHLLHE-UHFFFAOYSA-N 0 1 245.282 2.083 20 10 BECDMN Cc1nn(C)cc1CN(C)Cc1ccccc1O ZINC000091956485 180373788 /nfs/dbraw/zinc/37/37/88/180373788.db2.gz KBFXLODCDBNLHT-UHFFFAOYSA-N 0 1 245.326 2.066 20 10 BECDMN [O-]c1cccc(Cl)c1C[NH2+]CCCCCO ZINC000228733253 183047204 /nfs/dbraw/zinc/04/72/04/183047204.db2.gz WZDWWKYEPASLIV-UHFFFAOYSA-N 0 1 243.734 2.298 20 10 BECDMN Oc1ccc(F)cc1CNCc1ccco1 ZINC000083351051 183274591 /nfs/dbraw/zinc/27/45/91/183274591.db2.gz BQGSNOGAJPYDDQ-UHFFFAOYSA-N 0 1 221.231 2.414 20 10 BECDMN C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976141 384145856 /nfs/dbraw/zinc/14/58/56/384145856.db2.gz CNVHRNWTQDRHTK-LBPRGKRZSA-N 0 1 221.300 2.003 20 10 BECDMN Cc1ccc(O)c(CN(C)Cc2cnccn2)c1 ZINC000092591586 384185877 /nfs/dbraw/zinc/18/58/77/384185877.db2.gz ISNUNGSUAKTPQA-UHFFFAOYSA-N 0 1 243.310 2.123 20 10 BECDMN C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(F)ccc1[O-] ZINC000094618464 384308178 /nfs/dbraw/zinc/30/81/78/384308178.db2.gz WSNYXCBCLVAULI-VHSXEESVSA-N 0 1 241.306 2.200 20 10 BECDMN C[C@@H]([NH2+]CC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000134920170 384399587 /nfs/dbraw/zinc/39/95/87/384399587.db2.gz DPSYJSOGHRRIGA-MRVPVSSYSA-N 0 1 243.734 2.467 20 10 BECDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@H](C)CO ZINC000123206931 384539257 /nfs/dbraw/zinc/53/92/57/384539257.db2.gz ZRPSFUUYQJYEQH-RKDXNWHRSA-N 0 1 243.734 2.152 20 10 BECDMN C[C@@H](CO)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000123207178 384540276 /nfs/dbraw/zinc/54/02/76/384540276.db2.gz ZRPSFUUYQJYEQH-IUCAKERBSA-N 0 1 243.734 2.152 20 10 BECDMN CN(C)c1ccc(CNCc2cncs2)cc1 ZINC000054770295 384853315 /nfs/dbraw/zinc/85/33/15/384853315.db2.gz LKTUJINFYOGYFD-UHFFFAOYSA-N 0 1 247.367 2.499 20 10 BECDMN COC[C@@H](NCc1ccccc1O)c1ccco1 ZINC000177572051 385263516 /nfs/dbraw/zinc/26/35/16/385263516.db2.gz OFNANHVLCFJEJL-GFCCVEGCSA-N 0 1 247.294 2.463 20 10 BECDMN C[C@@H]([NH2+]CCN(C)C)c1cc(Cl)ccc1[O-] ZINC000287005214 387352245 /nfs/dbraw/zinc/35/22/45/387352245.db2.gz KIZSHQVNEJJKKT-SECBINFHSA-N 0 1 242.750 2.258 20 10 BECDMN CCOC1CN(Cc2cccc(Cl)c2O)C1 ZINC000297419156 170337324 /nfs/dbraw/zinc/33/73/24/170337324.db2.gz MEBACYNGQHZIAR-UHFFFAOYSA-N 0 1 241.718 2.266 20 10 BECDMN COCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020142543 174247635 /nfs/dbraw/zinc/24/76/35/174247635.db2.gz PCXGVNRJBOQYGK-UHFFFAOYSA-N 0 1 229.707 2.172 20 10 BECDMN COc1ccc(CNCc2cncn2C)cc1C ZINC000237251547 175108728 /nfs/dbraw/zinc/10/87/28/175108728.db2.gz FHYQSCHQYHSJES-UHFFFAOYSA-N 0 1 245.326 2.027 20 10 BECDMN C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134925721 175756768 /nfs/dbraw/zinc/75/67/68/175756768.db2.gz CASBAUFVGCNWLF-YUMQZZPRSA-N 0 1 229.707 2.077 20 10 BECDMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000165416039 177165749 /nfs/dbraw/zinc/16/57/49/177165749.db2.gz IHEOYTWUJMZCDT-VIFPVBQESA-N 0 1 209.264 2.373 20 10 BECDMN CC[C@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840937766 583166932 /nfs/dbraw/zinc/16/69/32/583166932.db2.gz XMVXOZHFEYKQSK-SECBINFHSA-N 0 1 243.734 2.215 20 10 BECDMN Cc1n[nH]c(C[N@H+](C)Cc2ccccc2O)c1C ZINC000893961389 583256143 /nfs/dbraw/zinc/25/61/43/583256143.db2.gz FZLNBAWUPLDSFO-UHFFFAOYSA-N 0 1 245.326 2.364 20 10 BECDMN Cc1n[nH]c(CN(C)Cc2ccccc2O)c1C ZINC000893961389 583256145 /nfs/dbraw/zinc/25/61/45/583256145.db2.gz FZLNBAWUPLDSFO-UHFFFAOYSA-N 0 1 245.326 2.364 20 10 BECDMN Oc1c(F)cc(F)cc1CN1CC(C(F)F)C1 ZINC000894976462 583562209 /nfs/dbraw/zinc/56/22/09/583562209.db2.gz JXYBFDLSQKNZRD-UHFFFAOYSA-N 0 1 249.207 2.367 20 10 BECDMN Cc1cccc(CN2CC(OC(C)C)C2)c1O ZINC000895955092 583752812 /nfs/dbraw/zinc/75/28/12/583752812.db2.gz ONCMIAHTPLFYFC-UHFFFAOYSA-N 0 1 235.327 2.310 20 10 BECDMN C[C@H](NCc1csc(N)n1)c1ccccc1O ZINC000902492330 584618624 /nfs/dbraw/zinc/61/86/24/584618624.db2.gz XVGUSNAVCXVBQO-QMMMGPOBSA-N 0 1 249.339 2.282 20 10 BECDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1[O-] ZINC000839131268 585093656 /nfs/dbraw/zinc/09/36/56/585093656.db2.gz HZOMHEOJEGODAW-PHIMTYICSA-N 0 1 249.285 2.227 20 10 BECDMN CCOC1(C)CN(Cc2cccc(C)c2O)C1 ZINC000839142020 585094942 /nfs/dbraw/zinc/09/49/42/585094942.db2.gz DUSUULFZHQWOIW-UHFFFAOYSA-N 0 1 235.327 2.311 20 10 BECDMN COc1cccc(O)c1C[N@@H+](C)C(C)C ZINC000768140743 585532893 /nfs/dbraw/zinc/53/28/93/585532893.db2.gz IQDHOLOMFUEUIM-UHFFFAOYSA-N 0 1 209.289 2.241 20 10 BECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000788269060 585919941 /nfs/dbraw/zinc/91/99/41/585919941.db2.gz LBZLIBOVSRGFRV-SCZZXKLOSA-N 0 1 241.718 2.001 20 10 BECDMN CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806419407 586412179 /nfs/dbraw/zinc/41/21/79/586412179.db2.gz SVVWGRGVQQPHFF-UHFFFAOYSA-N 0 1 249.097 2.128 20 10 BECDMN CCOc1ccc(CN(C)CCF)c(O)c1 ZINC000816640068 586747374 /nfs/dbraw/zinc/74/73/74/586747374.db2.gz RUBSGFQHURXQBM-UHFFFAOYSA-N 0 1 227.279 2.192 20 10 BECDMN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000818357636 586889265 /nfs/dbraw/zinc/88/92/65/586889265.db2.gz CRDYMWYJYCIHSJ-AVPPRXQKSA-N 0 1 241.718 2.220 20 10 BECDMN C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000818362235 586889762 /nfs/dbraw/zinc/88/97/62/586889762.db2.gz SFVPVKIMUQBYDY-PSASIEDQSA-N 0 1 241.718 2.485 20 10 BECDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1C ZINC000821046098 587090971 /nfs/dbraw/zinc/09/09/71/587090971.db2.gz QNNFUSHGDVHTFJ-LBPRGKRZSA-N 0 1 249.310 2.058 20 10 BECDMN CC[C@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000824533250 587273525 /nfs/dbraw/zinc/27/35/25/587273525.db2.gz CIRJZPJDAROHFN-LLVKDONJSA-N 0 1 243.734 2.248 20 10 BECDMN CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000824533250 587273527 /nfs/dbraw/zinc/27/35/27/587273527.db2.gz CIRJZPJDAROHFN-LLVKDONJSA-N 0 1 243.734 2.248 20 10 BECDMN CO[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1C ZINC000824815759 587288592 /nfs/dbraw/zinc/28/85/92/587288592.db2.gz YURFCAQSTNNFKR-RISCZKNCSA-N 0 1 235.327 2.249 20 10 BECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC2)cc1Cl ZINC000825371431 587317493 /nfs/dbraw/zinc/31/74/93/587317493.db2.gz XIYRRNXNIKTHAV-JTQLQIEISA-N 0 1 241.718 2.233 20 10 BECDMN Cc1cc(O)c(C[N@H+](C)C2(CO)CCC2)cc1C ZINC000827903574 587408879 /nfs/dbraw/zinc/40/88/79/587408879.db2.gz KIZSNCDFBLKWHY-UHFFFAOYSA-N 0 1 249.354 2.356 20 10 BECDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](C)O)c(Cl)c1 ZINC000840939542 587930785 /nfs/dbraw/zinc/93/07/85/587930785.db2.gz NMXHHRIJMSTPGR-SECBINFHSA-N 0 1 243.734 2.167 20 10 BECDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H](C)O)c(Cl)c1 ZINC000840939542 587930787 /nfs/dbraw/zinc/93/07/87/587930787.db2.gz NMXHHRIJMSTPGR-SECBINFHSA-N 0 1 243.734 2.167 20 10 BECDMN Cc1cc(CN(C)Cc2ccccc2O)n(C)n1 ZINC000841834323 587976662 /nfs/dbraw/zinc/97/66/62/587976662.db2.gz NIPLPBBJWYQSJK-UHFFFAOYSA-N 0 1 245.326 2.066 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000848902070 588418309 /nfs/dbraw/zinc/41/83/09/588418309.db2.gz JJWYVDBZCRCJIK-AAEUAGOBSA-N 0 1 249.354 2.157 20 10 BECDMN CCc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000848904395 588418376 /nfs/dbraw/zinc/41/83/76/588418376.db2.gz SFRKEPNZZGNQCI-SMDDNHRTSA-N 0 1 249.354 2.157 20 10 BECDMN Cc1ccc(C[N@@H+]2CCCOC[C@@H]2C)c(O)c1 ZINC000876752566 590237689 /nfs/dbraw/zinc/23/76/89/590237689.db2.gz TUTQRAOXCNKTIG-LBPRGKRZSA-N 0 1 235.327 2.311 20 10 BECDMN Cc1cccc(O)c1C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000877630365 590377823 /nfs/dbraw/zinc/37/78/23/590377823.db2.gz DIETUYGUNXPHOB-WFASDCNBSA-N 0 1 247.338 2.169 20 10 BECDMN Cc1ccc(CN[C@@H](C)c2nccn2C)c(O)c1 ZINC000877639555 590381199 /nfs/dbraw/zinc/38/11/99/590381199.db2.gz BGGFFXOLSIRNPV-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN Cc1ccc(CN[C@H](C)c2nccn2C)c(O)c1 ZINC000877639554 590381896 /nfs/dbraw/zinc/38/18/96/590381896.db2.gz BGGFFXOLSIRNPV-LLVKDONJSA-N 0 1 245.326 2.285 20 10 BECDMN Oc1cccc2c1C[N@@H+](CCC[C@H]1CCO1)C2 ZINC000877702795 590395642 /nfs/dbraw/zinc/39/56/42/590395642.db2.gz HVJKTKSXVWNOGG-LBPRGKRZSA-N 0 1 233.311 2.277 20 10 BECDMN CCC[N@@H+](CCO)Cc1cc(Cl)ccc1O ZINC000128031533 590879806 /nfs/dbraw/zinc/87/98/06/590879806.db2.gz MMFONYZLLWXCOY-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN CCC[N@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000128031533 590879809 /nfs/dbraw/zinc/87/98/09/590879809.db2.gz MMFONYZLLWXCOY-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN CCC[N@@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000128031533 590879812 /nfs/dbraw/zinc/87/98/12/590879812.db2.gz MMFONYZLLWXCOY-UHFFFAOYSA-N 0 1 243.734 2.250 20 10 BECDMN Cc1ccc([C@H](C)NCc2ccn(C)n2)c(O)c1 ZINC000213127742 591448549 /nfs/dbraw/zinc/44/85/49/591448549.db2.gz XRMHQHZJPQDBKR-NSHDSACASA-N 0 1 245.326 2.285 20 10 BECDMN CC[C@H](NCc1ccn(C)n1)c1ccccc1O ZINC000213106822 591449298 /nfs/dbraw/zinc/44/92/98/591449298.db2.gz XXIKKDRYQRSDHO-ZDUSSCGKSA-N 0 1 245.326 2.367 20 10 BECDMN Oc1ccccc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217655105 592148521 /nfs/dbraw/zinc/14/85/21/592148521.db2.gz AWHVUWOKNHGRFW-KGLIPLIRSA-N 0 1 246.354 2.109 20 10 BECDMN O=C([O-])C[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000086757176 598153646 /nfs/dbraw/zinc/15/36/46/598153646.db2.gz DSCNWYVPSIVJEH-LLVKDONJSA-N 0 1 249.310 2.079 20 10 BECDMN C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000077423904 631322581 /nfs/dbraw/zinc/32/25/81/631322581.db2.gz VVCWZOVBGNMUGF-BDAKNGLRSA-N 0 1 243.734 2.152 20 10 BECDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cn[nH]c1 ZINC000229882141 640990271 /nfs/dbraw/zinc/99/02/71/640990271.db2.gz URFBCSRRWMEDGQ-SNVBAGLBSA-N 0 1 243.310 2.195 20 10 BECDMN CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000082687172 643364744 /nfs/dbraw/zinc/36/47/44/643364744.db2.gz DSPAQMUKRPATTI-GFCCVEGCSA-N 0 1 243.734 2.296 20 10 BECDMN C[C@@H](CF)NCc1ccc2c(c1)CCCO2 ZINC000922144158 643871624 /nfs/dbraw/zinc/87/16/24/643871624.db2.gz FJSUKDBJJABDBD-JTQLQIEISA-N 0 1 223.291 2.459 20 10 BECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1CO ZINC000092455764 644658340 /nfs/dbraw/zinc/65/83/40/644658340.db2.gz LRQLQFALFDCLBE-NSHDSACASA-N 0 1 241.718 2.002 20 10 BECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CO ZINC000092455764 644658345 /nfs/dbraw/zinc/65/83/45/644658345.db2.gz LRQLQFALFDCLBE-NSHDSACASA-N 0 1 241.718 2.002 20 10 BECDMN COCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825049167 645060805 /nfs/dbraw/zinc/06/08/05/645060805.db2.gz BNMVJTLMXOZBCB-UHFFFAOYSA-N 0 1 243.734 2.480 20 10 BECDMN C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000160599162 711809101 /nfs/dbraw/zinc/80/91/01/711809101.db2.gz XMVSESJCQWSFSC-MRVPVSSYSA-N 0 1 243.734 2.295 20 10 BECDMN