smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccc(Cl)s1)Cc1ccccc1O ZINC000109772632 1123326760 /nfs/dbraw/zinc/32/67/60/1123326760.db2.gz NLCDVRYXAOQRKX-UHFFFAOYSA-N 0 3 267.781 3.739 20 10 CHCDHN CC[C@@H]([NH2+]CC(CC)(CC)CO)c1ccc(C)cc1[O-] ZINC000794819768 1123961719 /nfs/dbraw/zinc/96/17/19/1123961719.db2.gz XUUSZGJAJQSEGC-OAHLLOKOSA-N 0 3 279.424 3.540 20 10 CHCDHN Cc1cc(CN2Cc3cccc(O)c3C2)c(C)s1 ZINC000877703159 1125066370 /nfs/dbraw/zinc/06/63/70/1125066370.db2.gz UCKRQSLSLVUBEY-UHFFFAOYSA-N 0 3 259.374 3.586 20 10 CHCDHN CC[C@H]([NH2+][C@@H](COC)CC(C)(C)C)c1ccccc1[O-] ZINC000845993346 1131679152 /nfs/dbraw/zinc/67/91/52/1131679152.db2.gz YGPOALJTIORNFW-HIFRSBDPSA-N 0 3 279.424 3.884 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1 ZINC000886343534 1125671339 /nfs/dbraw/zinc/67/13/39/1125671339.db2.gz ZRGHCVFKFIYQBG-QGZVFWFLSA-N 0 3 289.419 3.530 20 10 CHCDHN CC[C@H](NCc1cc(C2CC2)no1)c1ccc(C)cc1O ZINC000886684867 1125709113 /nfs/dbraw/zinc/70/91/13/1125709113.db2.gz UXFHDSWHZPKSNP-HNNXBMFYSA-N 0 3 286.375 3.807 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1cc(F)ccc1[O-] ZINC000886731102 1125714361 /nfs/dbraw/zinc/71/43/61/1125714361.db2.gz UZTVSOKTRJJNEM-TZMCWYRMSA-N 0 3 293.382 3.531 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccccc1[O-] ZINC000286963312 1125756902 /nfs/dbraw/zinc/75/69/02/1125756902.db2.gz IBPYJIUOBXAPQB-TZMCWYRMSA-N 0 3 265.422 3.576 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC)c([O-])c1 ZINC000768138525 1129835956 /nfs/dbraw/zinc/83/59/56/1129835956.db2.gz NRUPOFBQFSLZQR-CQSZACIVSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2CC)c([O-])c1 ZINC000768138525 1129835962 /nfs/dbraw/zinc/83/59/62/1129835962.db2.gz NRUPOFBQFSLZQR-CQSZACIVSA-N 0 3 263.381 3.555 20 10 CHCDHN COc1cccc(C2(NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000150907234 1126747398 /nfs/dbraw/zinc/74/73/98/1126747398.db2.gz HYGHAYCCNZZSOZ-UHFFFAOYSA-N 0 3 296.414 3.540 20 10 CHCDHN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccccc1[O-])CCC2 ZINC000179574680 1126830540 /nfs/dbraw/zinc/83/05/40/1126830540.db2.gz WRSRCOMWIWJMIS-CQSZACIVSA-N 0 3 288.416 3.667 20 10 CHCDHN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccccc1[O-])CCC2 ZINC000179574680 1126830542 /nfs/dbraw/zinc/83/05/42/1126830542.db2.gz WRSRCOMWIWJMIS-CQSZACIVSA-N 0 3 288.416 3.667 20 10 CHCDHN CCOc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)c([O-])c1 ZINC000780591230 1130685444 /nfs/dbraw/zinc/68/54/44/1130685444.db2.gz XRGVGSWDBXUEMI-UHFFFAOYSA-N 0 3 291.313 3.612 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1ccccc1 ZINC000183605566 1126889232 /nfs/dbraw/zinc/88/92/32/1126889232.db2.gz UHGRBRQGDOXHSO-KGLIPLIRSA-N 0 3 271.360 3.510 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cn3c(cccc3C)n2)c(O)c1 ZINC000185412664 1126899968 /nfs/dbraw/zinc/89/99/68/1126899968.db2.gz WXTIPJZLIAJMKG-AWEZNQCLSA-N 0 3 295.386 3.508 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccncc1 ZINC000185541857 1126900820 /nfs/dbraw/zinc/90/08/20/1126900820.db2.gz SRAKESJUTGGJFD-NHYWBVRUSA-N 0 3 274.339 3.728 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000191858040 1126955760 /nfs/dbraw/zinc/95/57/60/1126955760.db2.gz HHAGINHHUYLNIW-ALKREAHSSA-N 0 3 297.398 3.821 20 10 CHCDHN CCc1ccc(C[N@H+]2CCCC[C@](C)(F)C2)c([O-])c1 ZINC001236783658 1131006772 /nfs/dbraw/zinc/00/67/72/1131006772.db2.gz OASVMKITJSEROW-INIZCTEOSA-N 0 3 265.372 3.669 20 10 CHCDHN CC[C@H]([NH3+])CN(C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001236884139 1131027143 /nfs/dbraw/zinc/02/71/43/1131027143.db2.gz MQZQMZSMYWOPFI-LBPRGKRZSA-N 0 3 298.858 3.512 20 10 CHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CCCC1 ZINC001237139800 1131057956 /nfs/dbraw/zinc/05/79/56/1131057956.db2.gz OYPFPDYRQOFSJR-UHFFFAOYSA-N 0 3 273.298 3.785 20 10 CHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CCCC1 ZINC001237139800 1131057961 /nfs/dbraw/zinc/05/79/61/1131057961.db2.gz OYPFPDYRQOFSJR-UHFFFAOYSA-N 0 3 273.298 3.785 20 10 CHCDHN CC[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000156786420 1127183978 /nfs/dbraw/zinc/18/39/78/1127183978.db2.gz OPOMBGJTTSAIEP-PVAVHDDUSA-N 0 3 291.435 3.764 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC23CC3)c1[O-] ZINC000818355324 1131210582 /nfs/dbraw/zinc/21/05/82/1131210582.db2.gz COJSSVHJVBBQEB-SKDRFNHKSA-N 0 3 251.757 3.557 20 10 CHCDHN CC(C)c1ccc(O)c(CN2CC(C)(C)OC[C@@H]2C)c1 ZINC001308738702 1127452746 /nfs/dbraw/zinc/45/27/46/1127452746.db2.gz BOCLBXYTWGAJIG-ZDUSSCGKSA-N 0 3 277.408 3.515 20 10 CHCDHN Cc1cc(CN(Cc2cccnc2)C2CC2)ccc1N(C)C ZINC000293806894 1127522441 /nfs/dbraw/zinc/52/24/41/1127522441.db2.gz NVAQWJYMTUGVRS-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccccc1[O-] ZINC000294733309 1127595876 /nfs/dbraw/zinc/59/58/76/1127595876.db2.gz GMPJYKCSKRHQAR-HNNXBMFYSA-N 0 3 284.403 3.806 20 10 CHCDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccccc1[O-] ZINC000295021436 1127614262 /nfs/dbraw/zinc/61/42/62/1127614262.db2.gz CHCXHIZSFFOLDW-LOWVWBTDSA-N 0 3 287.325 3.944 20 10 CHCDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1[O-] ZINC000295021436 1127614264 /nfs/dbraw/zinc/61/42/64/1127614264.db2.gz CHCXHIZSFFOLDW-LOWVWBTDSA-N 0 3 287.325 3.944 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccsc2)c1[O-] ZINC000229051872 1127643653 /nfs/dbraw/zinc/64/36/53/1127643653.db2.gz ZACCIXVXBHCMTH-SECBINFHSA-N 0 3 297.807 3.967 20 10 CHCDHN C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1[N+](=O)[O-] ZINC000296920012 1127685902 /nfs/dbraw/zinc/68/59/02/1127685902.db2.gz PPSSNAVVXYVWCS-FZMZJTMJSA-N 0 3 298.342 3.639 20 10 CHCDHN CC(C)C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000171922802 1127734576 /nfs/dbraw/zinc/73/45/76/1127734576.db2.gz IDJVYCFLIBQLBH-UHFFFAOYSA-N 0 3 259.349 3.643 20 10 CHCDHN CC(C)C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000171922802 1127734580 /nfs/dbraw/zinc/73/45/80/1127734580.db2.gz IDJVYCFLIBQLBH-UHFFFAOYSA-N 0 3 259.349 3.643 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000366942935 1127748668 /nfs/dbraw/zinc/74/86/68/1127748668.db2.gz IYEIGXFVLKTZKP-IBGZPJMESA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000366942935 1127748670 /nfs/dbraw/zinc/74/86/70/1127748670.db2.gz IYEIGXFVLKTZKP-IBGZPJMESA-N 0 3 297.398 3.548 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c([O-])c1 ZINC000371869989 1127782427 /nfs/dbraw/zinc/78/24/27/1127782427.db2.gz MCBKKAJLNJRQMK-IFXJQAMLSA-N 0 3 297.398 3.665 20 10 CHCDHN Cc1cccc(CN[C@H]2COc3c2cccc3Cl)c1O ZINC000373189929 1127827738 /nfs/dbraw/zinc/82/77/38/1127827738.db2.gz GUSZJLHQXUQEOB-AWEZNQCLSA-N 0 3 289.762 3.577 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3C)c2c1 ZINC000173528259 1127837514 /nfs/dbraw/zinc/83/75/14/1127837514.db2.gz JVUBXBASRXJYBX-LBPRGKRZSA-N 0 3 271.360 3.538 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3C)c2c1 ZINC000173528259 1127837516 /nfs/dbraw/zinc/83/75/16/1127837516.db2.gz JVUBXBASRXJYBX-LBPRGKRZSA-N 0 3 271.360 3.538 20 10 CHCDHN CC[C@@](C)(CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000761973246 1128258030 /nfs/dbraw/zinc/25/80/30/1128258030.db2.gz KPFZCJHQFILTRK-IBGZPJMESA-N 0 3 299.414 3.700 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCc3cccnc32)c1 ZINC000927063260 1128213574 /nfs/dbraw/zinc/21/35/74/1128213574.db2.gz BHNSGIAKJTWARP-LRDDRELGSA-N 0 3 298.386 3.524 20 10 CHCDHN CC1(C)C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C(C)(C)O1 ZINC000927099376 1128217147 /nfs/dbraw/zinc/21/71/47/1128217147.db2.gz NDIIRQDXZMNLKY-KBPBESRZSA-N 0 3 289.419 3.563 20 10 CHCDHN CC(C)[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000915209852 1128292021 /nfs/dbraw/zinc/29/20/21/1128292021.db2.gz VFFLTJFPZRORLD-LBPRGKRZSA-N 0 3 279.424 3.872 20 10 CHCDHN CC(C)[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000915209852 1128292024 /nfs/dbraw/zinc/29/20/24/1128292024.db2.gz VFFLTJFPZRORLD-LBPRGKRZSA-N 0 3 279.424 3.872 20 10 CHCDHN CCC[N@H+](Cc1ccc(Cl)cn1)Cc1ccccc1[O-] ZINC000778220963 1128451110 /nfs/dbraw/zinc/45/11/10/1128451110.db2.gz OFGYVNRKDXYAMP-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN CCC[N@@H+](Cc1ccc(Cl)cn1)Cc1ccccc1[O-] ZINC000778220963 1128451111 /nfs/dbraw/zinc/45/11/11/1128451111.db2.gz OFGYVNRKDXYAMP-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000778994782 1128674715 /nfs/dbraw/zinc/67/47/15/1128674715.db2.gz LCTIYQQKNCGNQM-KRWDZBQOSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000778994782 1128674716 /nfs/dbraw/zinc/67/47/16/1128674716.db2.gz LCTIYQQKNCGNQM-KRWDZBQOSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000778996984 1128675697 /nfs/dbraw/zinc/67/56/97/1128675697.db2.gz YGFULWCOZSSSEY-CQSZACIVSA-N 0 3 277.364 3.930 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000778996984 1128675699 /nfs/dbraw/zinc/67/56/99/1128675699.db2.gz YGFULWCOZSSSEY-CQSZACIVSA-N 0 3 277.364 3.930 20 10 CHCDHN C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000779023637 1128685902 /nfs/dbraw/zinc/68/59/02/1128685902.db2.gz VBNDPCGKZVPGRG-RDJZCZTQSA-N 0 3 281.399 3.845 20 10 CHCDHN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000779023637 1128685905 /nfs/dbraw/zinc/68/59/05/1128685905.db2.gz VBNDPCGKZVPGRG-RDJZCZTQSA-N 0 3 281.399 3.845 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCC2CC2)c1[O-] ZINC000779036339 1128697957 /nfs/dbraw/zinc/69/79/57/1128697957.db2.gz MNSAWQOLPARDON-JTQLQIEISA-N 0 3 298.224 3.914 20 10 CHCDHN COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1C ZINC000185193679 1117780556 /nfs/dbraw/zinc/78/05/56/1117780556.db2.gz LOIJEHZSHQRQAP-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1cccc([C@@H](C)[N@H+](C)Cc2ccccc2[O-])c1 ZINC000072629619 1117782256 /nfs/dbraw/zinc/78/22/56/1117782256.db2.gz UMHSCKGLBIKFBV-CQSZACIVSA-N 0 3 255.361 3.894 20 10 CHCDHN Cc1cccc([C@@H](C)[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000072629619 1117782260 /nfs/dbraw/zinc/78/22/60/1117782260.db2.gz UMHSCKGLBIKFBV-CQSZACIVSA-N 0 3 255.361 3.894 20 10 CHCDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000111412946 1117879596 /nfs/dbraw/zinc/87/95/96/1117879596.db2.gz IJDFGDHSBDTDOR-MSOLQXFVSA-N 0 3 297.398 3.827 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000179554512 1128747988 /nfs/dbraw/zinc/74/79/88/1128747988.db2.gz PLYBUXNUXIHSLY-UHFFFAOYSA-N 0 3 283.346 3.821 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000179554512 1128747990 /nfs/dbraw/zinc/74/79/90/1128747990.db2.gz PLYBUXNUXIHSLY-UHFFFAOYSA-N 0 3 283.346 3.821 20 10 CHCDHN COc1cccc([C@@H](C)NCc2ccc3c(c2)CCCO3)c1 ZINC000921563578 1118201002 /nfs/dbraw/zinc/20/10/02/1118201002.db2.gz MPCRCZXJILSCAM-CQSZACIVSA-N 0 3 297.398 3.871 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2)c1[O-] ZINC000076274242 1118284519 /nfs/dbraw/zinc/28/45/19/1118284519.db2.gz FEHLZEMNIAOXHD-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN Cc1cc(C)cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000693192803 1118368028 /nfs/dbraw/zinc/36/80/28/1118368028.db2.gz KJOWMDATNNUODE-MRXNPFEDSA-N 0 3 267.372 3.786 20 10 CHCDHN Cc1cc(C)cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000693217516 1118421304 /nfs/dbraw/zinc/42/13/04/1118421304.db2.gz ZXNCCTKLLYMTSS-ZDUSSCGKSA-N 0 3 273.351 3.999 20 10 CHCDHN CCOc1cccc(CN(C)Cc2cccc(F)c2)c1O ZINC000160462794 1118428242 /nfs/dbraw/zinc/42/82/42/1118428242.db2.gz BGETWHPNGKRVAM-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN COc1ccc([C@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC000088218641 1118511188 /nfs/dbraw/zinc/51/11/88/1118511188.db2.gz ONXSAULWLBCOAS-AWEZNQCLSA-N 0 3 285.387 3.863 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)CCSC)c1ccccc1[O-] ZINC000129684197 1118880903 /nfs/dbraw/zinc/88/09/03/1118880903.db2.gz DMEUGFPGKAJMBB-DGCLKSJQSA-N 0 3 253.411 3.575 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000690730576 1118912629 /nfs/dbraw/zinc/91/26/29/1118912629.db2.gz IVVVXMYJYOHKFQ-UHFFFAOYSA-N 0 3 271.335 3.567 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])s1 ZINC000226586211 1119213567 /nfs/dbraw/zinc/21/35/67/1119213567.db2.gz ZYPWYPDRGMGRQY-JTQLQIEISA-N 0 3 265.353 3.752 20 10 CHCDHN CC(C)Cc1ccc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000892791902 1120142755 /nfs/dbraw/zinc/14/27/55/1120142755.db2.gz ANAPHHZPMLKDNH-UHFFFAOYSA-N 0 3 296.414 3.505 20 10 CHCDHN CCCC[C@@H](C)[N@H+](C)Cc1cccc(OCC)c1[O-] ZINC000311996825 1120210715 /nfs/dbraw/zinc/21/07/15/1120210715.db2.gz QXDYEXSGASYBRF-CYBMUJFWSA-N 0 3 265.397 3.801 20 10 CHCDHN CCCC[C@@H](C)[N@@H+](C)Cc1cccc(OCC)c1[O-] ZINC000311996825 1120210718 /nfs/dbraw/zinc/21/07/18/1120210718.db2.gz QXDYEXSGASYBRF-CYBMUJFWSA-N 0 3 265.397 3.801 20 10 CHCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1cn[nH]c1 ZINC000271461004 1120253427 /nfs/dbraw/zinc/25/34/27/1120253427.db2.gz HJKONTUCBAHXAP-LSDHHAIUSA-N 0 3 298.434 3.812 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000182791001 1120328030 /nfs/dbraw/zinc/32/80/30/1120328030.db2.gz XZCCCKDIQWNOPN-DZGCQCFKSA-N 0 3 267.372 3.773 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cn1 ZINC000756421540 1120337054 /nfs/dbraw/zinc/33/70/54/1120337054.db2.gz ZISFGMWLPLHCPG-YGRLFVJLSA-N 0 3 286.350 3.573 20 10 CHCDHN CCC[N@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1[O-] ZINC000186246011 1120393959 /nfs/dbraw/zinc/39/39/59/1120393959.db2.gz SDZNQZRZFKCRHR-UHFFFAOYSA-N 0 3 294.398 3.985 20 10 CHCDHN CCC[N@@H+](Cc1ccc(C#N)cc1C)Cc1ccccc1[O-] ZINC000186246011 1120393963 /nfs/dbraw/zinc/39/39/63/1120393963.db2.gz SDZNQZRZFKCRHR-UHFFFAOYSA-N 0 3 294.398 3.985 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000310933171 1120500732 /nfs/dbraw/zinc/50/07/32/1120500732.db2.gz HYLYWDQSTWIZQB-JQWIXIFHSA-N 0 3 255.308 3.621 20 10 CHCDHN CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1[O-] ZINC000191189318 1120517477 /nfs/dbraw/zinc/51/74/77/1120517477.db2.gz NMCOEMHLTVLQBV-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1[O-] ZINC000191189318 1120517481 /nfs/dbraw/zinc/51/74/81/1120517481.db2.gz NMCOEMHLTVLQBV-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN CCN(CC)c1ccc(CNCc2cccc(F)c2)cc1 ZINC000020473309 1120603469 /nfs/dbraw/zinc/60/34/69/1120603469.db2.gz JSSOVOZTOUIPNZ-UHFFFAOYSA-N 0 3 286.394 3.962 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168739271 1120651936 /nfs/dbraw/zinc/65/19/36/1120651936.db2.gz NMQCZCJLPGDKHX-CQSZACIVSA-N 0 3 287.790 3.645 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168739271 1120651938 /nfs/dbraw/zinc/65/19/38/1120651938.db2.gz NMQCZCJLPGDKHX-CQSZACIVSA-N 0 3 287.790 3.645 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)c([O-])c1 ZINC000756759820 1120806787 /nfs/dbraw/zinc/80/67/87/1120806787.db2.gz ZQBICHHTJIECHV-RHSMWYFYSA-N 0 3 291.435 3.947 20 10 CHCDHN C[C@@H]([NH2+]CCOC1CCCCC1)c1cc(F)ccc1[O-] ZINC000094618228 1121085898 /nfs/dbraw/zinc/08/58/98/1121085898.db2.gz BQXCQDDDOUQMKN-GFCCVEGCSA-N 0 3 281.371 3.531 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC2(F)CCC2)c([O-])c1 ZINC000702433190 1121199315 /nfs/dbraw/zinc/19/93/15/1121199315.db2.gz UNJYZOREHUXEQC-LBPRGKRZSA-N 0 3 251.345 3.634 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCSC(C)C)c1[O-] ZINC000809722325 1121206380 /nfs/dbraw/zinc/20/63/80/1121206380.db2.gz SQGASAZSYKIDHU-UHFFFAOYSA-N 0 3 273.829 3.585 20 10 CHCDHN Cc1ccc(Nc2ncc[nH]2)c(C(=O)c2ccccc2)c1 ZINC001176085010 1121534868 /nfs/dbraw/zinc/53/48/68/1121534868.db2.gz BGSUMPVURQXYTG-UHFFFAOYSA-N 0 3 277.327 3.693 20 10 CHCDHN CC[N@H+](Cc1occc1[S-])Cc1ccc(N(C)C)cc1 ZINC001237180727 1128997066 /nfs/dbraw/zinc/99/70/66/1128997066.db2.gz BECJZKVWBJQVMB-UHFFFAOYSA-N 0 3 290.432 3.656 20 10 CHCDHN CC[N@@H+](Cc1occc1[S-])Cc1ccc(N(C)C)cc1 ZINC001237180727 1128997068 /nfs/dbraw/zinc/99/70/68/1128997068.db2.gz BECJZKVWBJQVMB-UHFFFAOYSA-N 0 3 290.432 3.656 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000877462123 1121633088 /nfs/dbraw/zinc/63/30/88/1121633088.db2.gz KSOHMVPPJMZQED-LBPRGKRZSA-N 0 3 275.314 3.767 20 10 CHCDHN COc1ccc(CNCc2ccc3cccnc3c2)cc1C ZINC000727470874 1121722142 /nfs/dbraw/zinc/72/21/42/1121722142.db2.gz QCSPXESXTSUACN-UHFFFAOYSA-N 0 3 292.382 3.842 20 10 CHCDHN CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000727830935 1121749273 /nfs/dbraw/zinc/74/92/73/1121749273.db2.gz WNWPQUULMLHQMS-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000727830935 1121749278 /nfs/dbraw/zinc/74/92/78/1121749278.db2.gz WNWPQUULMLHQMS-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCN(C)c1ccc(CN(CC)Cc2ccccn2)cc1 ZINC000773764735 1121809956 /nfs/dbraw/zinc/80/99/56/1121809956.db2.gz CQQWDMKTDJLDJZ-UHFFFAOYSA-N 0 3 283.419 3.560 20 10 CHCDHN CC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@@H](C)O1 ZINC000732184544 1121909750 /nfs/dbraw/zinc/90/97/50/1121909750.db2.gz CLZUIKMRSMHBPQ-GDBMZVCRSA-N 0 3 291.435 3.823 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1 ZINC000733325034 1121976475 /nfs/dbraw/zinc/97/64/75/1121976475.db2.gz SUDMBULWKYJXMY-WFASDCNBSA-N 0 3 271.360 3.707 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000192750289 1129033873 /nfs/dbraw/zinc/03/38/73/1129033873.db2.gz CECMRCFHFWYCPS-WFASDCNBSA-N 0 3 299.370 3.923 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000271876961 1122180590 /nfs/dbraw/zinc/18/05/90/1122180590.db2.gz ZPCKNULJECZIPA-AWEZNQCLSA-N 0 3 295.810 3.545 20 10 CHCDHN CC1(C)CCC[C@H]1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC001183010440 1122199590 /nfs/dbraw/zinc/19/95/90/1122199590.db2.gz HNKJVJDDHXJFHJ-ZDUSSCGKSA-N 0 3 265.372 3.837 20 10 CHCDHN COCC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(C)o1 ZINC000272812073 1122213447 /nfs/dbraw/zinc/21/34/47/1122213447.db2.gz DGYZMDKKFMGFAW-UKRRQHHQSA-N 0 3 289.375 3.722 20 10 CHCDHN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1Cc2cccc([O-])c2C1 ZINC001183454574 1122223315 /nfs/dbraw/zinc/22/33/15/1122223315.db2.gz MHLFGBRQEDGYBA-UKRRQHHQSA-N 0 3 257.377 3.700 20 10 CHCDHN CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1Cc2cccc([O-])c2C1 ZINC001183454574 1122223322 /nfs/dbraw/zinc/22/33/22/1122223322.db2.gz MHLFGBRQEDGYBA-UKRRQHHQSA-N 0 3 257.377 3.700 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c([O-])c1 ZINC000273347161 1122228922 /nfs/dbraw/zinc/22/89/22/1122228922.db2.gz AZWJHQLDCYWWAX-LSDHHAIUSA-N 0 3 291.435 3.540 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c([O-])c1 ZINC000273347159 1122229575 /nfs/dbraw/zinc/22/95/75/1122229575.db2.gz AZWJHQLDCYWWAX-HUUCEWRRSA-N 0 3 291.435 3.540 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000273441271 1122232376 /nfs/dbraw/zinc/23/23/76/1122232376.db2.gz YMEJTUOYASMZRK-LBPRGKRZSA-N 0 3 289.350 3.781 20 10 CHCDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccccn2)c(O)c1C ZINC000273427572 1122233330 /nfs/dbraw/zinc/23/33/30/1122233330.db2.gz UREUJQODVBPUCE-ZIAGYGMSSA-N 0 3 270.376 3.816 20 10 CHCDHN Cc1ccn2cc(CN[C@@H](C)c3ccc(C)cc3O)nc2c1 ZINC000273550394 1122239290 /nfs/dbraw/zinc/23/92/90/1122239290.db2.gz FTFXIPHWOJWOFN-AWEZNQCLSA-N 0 3 295.386 3.508 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3O)c([O-])c1 ZINC000273606060 1122240341 /nfs/dbraw/zinc/24/03/41/1122240341.db2.gz UEQZSGKFPWCZSL-MLGOLLRUSA-N 0 3 283.371 3.744 20 10 CHCDHN CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203628493 1122363738 /nfs/dbraw/zinc/36/37/38/1122363738.db2.gz AXDAIRWWBYAUCN-KRWDZBQOSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203628493 1122363744 /nfs/dbraw/zinc/36/37/44/1122363744.db2.gz AXDAIRWWBYAUCN-KRWDZBQOSA-N 0 3 285.387 3.984 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1F ZINC000183393284 1129051827 /nfs/dbraw/zinc/05/18/27/1129051827.db2.gz DAVBINMQSVKEEL-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccccc1[O-] ZINC000183425831 1129054504 /nfs/dbraw/zinc/05/45/04/1129054504.db2.gz JCOARAKJLAEOFD-PBHICJAKSA-N 0 3 290.451 3.553 20 10 CHCDHN C[C@@H]([NH2+]CCOc1ccccc1Cl)c1ccccc1[O-] ZINC000775135077 1122437269 /nfs/dbraw/zinc/43/72/69/1122437269.db2.gz CWDAZWLZDGGYDQ-GFCCVEGCSA-N 0 3 291.778 3.775 20 10 CHCDHN C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1ccccc1[O-] ZINC000183438810 1129055018 /nfs/dbraw/zinc/05/50/18/1129055018.db2.gz QVOGXFMPADHTGH-INIZCTEOSA-N 0 3 298.430 3.959 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000775203902 1122478703 /nfs/dbraw/zinc/47/87/03/1122478703.db2.gz KGOMTGIHBULVFG-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000775203902 1122478706 /nfs/dbraw/zinc/47/87/06/1122478706.db2.gz KGOMTGIHBULVFG-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183533698 1129060751 /nfs/dbraw/zinc/06/07/51/1129060751.db2.gz YNMMOZNNJXCJAT-GJZGRUSLSA-N 0 3 285.387 3.819 20 10 CHCDHN CC[C@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccccc1[O-] ZINC000775414946 1122557231 /nfs/dbraw/zinc/55/72/31/1122557231.db2.gz MDBXZSMGQARPTQ-HNNXBMFYSA-N 0 3 295.386 3.589 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccccc1[O-] ZINC000775487020 1122616405 /nfs/dbraw/zinc/61/64/05/1122616405.db2.gz GAQORXMILILJDU-MAUKXSAKSA-N 0 3 298.430 3.958 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1ccccc1[O-] ZINC000775508738 1122629900 /nfs/dbraw/zinc/62/99/00/1122629900.db2.gz WSAUITUDUMSDJS-WBVHZDCISA-N 0 3 297.402 3.609 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775508586 1122631141 /nfs/dbraw/zinc/63/11/41/1122631141.db2.gz CXXAVNUGYSNANV-LNSITVRQSA-N 0 3 296.842 3.569 20 10 CHCDHN CC[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1[O-] ZINC000775513645 1122632648 /nfs/dbraw/zinc/63/26/48/1122632648.db2.gz QZFIFQXVFJBRSK-INIZCTEOSA-N 0 3 291.341 3.954 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@](C)(OC)C1(C)C)c1ccccc1[O-] ZINC000775513168 1122633600 /nfs/dbraw/zinc/63/36/00/1122633600.db2.gz OONHHJIOUSRLHJ-QRTARXTBSA-N 0 3 277.408 3.637 20 10 CHCDHN C[C@@H](N[C@@H](C)c1cncs1)c1ccc(N(C)C)cc1 ZINC000775580918 1122681106 /nfs/dbraw/zinc/68/11/06/1122681106.db2.gz DOMOUONRXNMYET-NEPJUHHUSA-N 0 3 275.421 3.621 20 10 CHCDHN CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])CC1CC1 ZINC000775700152 1122911698 /nfs/dbraw/zinc/91/16/98/1122911698.db2.gz CLDVPFSSNAUQNP-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])CC1CC1 ZINC000775700152 1122911697 /nfs/dbraw/zinc/91/16/97/1122911697.db2.gz CLDVPFSSNAUQNP-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN CSCC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775714793 1122921678 /nfs/dbraw/zinc/92/16/78/1122921678.db2.gz UBZFGUNUEZZASX-NSHDSACASA-N 0 3 287.856 3.927 20 10 CHCDHN CSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775714793 1122921680 /nfs/dbraw/zinc/92/16/80/1122921680.db2.gz UBZFGUNUEZZASX-NSHDSACASA-N 0 3 287.856 3.927 20 10 CHCDHN CSC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000775724826 1122925929 /nfs/dbraw/zinc/92/59/29/1122925929.db2.gz RDAOTVLLRSWCQW-CYBMUJFWSA-N 0 3 285.840 3.681 20 10 CHCDHN CSC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000775724826 1122925933 /nfs/dbraw/zinc/92/59/33/1122925933.db2.gz RDAOTVLLRSWCQW-CYBMUJFWSA-N 0 3 285.840 3.681 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000775726361 1122926550 /nfs/dbraw/zinc/92/65/50/1122926550.db2.gz QVXBVPBCXDHBJT-LBPRGKRZSA-N 0 3 265.784 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000775726361 1122926557 /nfs/dbraw/zinc/92/65/57/1122926557.db2.gz QVXBVPBCXDHBJT-LBPRGKRZSA-N 0 3 265.784 3.586 20 10 CHCDHN Cc1ccc(CNCc2cc(Cl)cc(C)c2O)nc1C ZINC000839163331 1123008472 /nfs/dbraw/zinc/00/84/72/1123008472.db2.gz IAGRWGVARRKPBW-UHFFFAOYSA-N 0 3 290.794 3.656 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])nc1C ZINC000839163331 1123008474 /nfs/dbraw/zinc/00/84/74/1123008474.db2.gz IAGRWGVARRKPBW-UHFFFAOYSA-N 0 3 290.794 3.656 20 10 CHCDHN COc1ccc(C[NH2+]C[C@@H](C)C2CCCCC2)c([O-])c1 ZINC000776077344 1123053458 /nfs/dbraw/zinc/05/34/58/1123053458.db2.gz NTDBVWSWQGFADW-CYBMUJFWSA-N 0 3 277.408 3.707 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCC2=CCCC2)c1[O-] ZINC000776252178 1123179623 /nfs/dbraw/zinc/17/96/23/1123179623.db2.gz OSCDUVKHMLTCEK-UHFFFAOYSA-N 0 3 265.784 3.944 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)c1[O-] ZINC000850482596 1123273112 /nfs/dbraw/zinc/27/31/12/1123273112.db2.gz PZWRACBAHWLHEM-ZYHUDNBSSA-N 0 3 283.799 3.572 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1[O-] ZINC000850482594 1123273275 /nfs/dbraw/zinc/27/32/75/1123273275.db2.gz PZWRACBAHWLHEM-PWSUYJOCSA-N 0 3 283.799 3.572 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(C)cc1[O-] ZINC000850483548 1123274279 /nfs/dbraw/zinc/27/42/79/1123274279.db2.gz ZTXFDMOUZGJNTM-HOCLYGCPSA-N 0 3 290.451 3.614 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850506966 1123277295 /nfs/dbraw/zinc/27/72/95/1123277295.db2.gz HCBSXVSUEPAWLJ-JQWIXIFHSA-N 0 3 251.757 3.723 20 10 CHCDHN CCSC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000850552341 1123290204 /nfs/dbraw/zinc/29/02/04/1123290204.db2.gz MLZORWOVNDGKNC-PWSUYJOCSA-N 0 3 295.423 3.955 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1C ZINC000850579183 1123296316 /nfs/dbraw/zinc/29/63/16/1123296316.db2.gz SZZKFYJISHNITC-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1C ZINC000850579749 1123296585 /nfs/dbraw/zinc/29/65/85/1123296585.db2.gz ZGEBADWUAODLAP-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)CCC(C)(C)C)c([O-])c1 ZINC000237244428 1123318564 /nfs/dbraw/zinc/31/85/64/1123318564.db2.gz XJRSWDORYTWZOM-LBPRGKRZSA-N 0 3 265.397 3.705 20 10 CHCDHN CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000783511468 1123407194 /nfs/dbraw/zinc/40/71/94/1123407194.db2.gz ZPCQXKSGOXYMSD-QWHCGFSZSA-N 0 3 273.380 3.581 20 10 CHCDHN C[N@H+](CC1=CCSC1)Cc1c([O-])ccc2ccccc21 ZINC000853618428 1123445116 /nfs/dbraw/zinc/44/51/16/1123445116.db2.gz DKROUQMEVMLJDN-UHFFFAOYSA-N 0 3 285.412 3.650 20 10 CHCDHN C[N@@H+](CC1=CCSC1)Cc1c([O-])ccc2ccccc21 ZINC000853618428 1123445117 /nfs/dbraw/zinc/44/51/17/1123445117.db2.gz DKROUQMEVMLJDN-UHFFFAOYSA-N 0 3 285.412 3.650 20 10 CHCDHN C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000783524554 1123489259 /nfs/dbraw/zinc/48/92/59/1123489259.db2.gz OUFAVTLIXIZHSY-GFCCVEGCSA-N 0 3 271.335 3.871 20 10 CHCDHN CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783526221 1123493476 /nfs/dbraw/zinc/49/34/76/1123493476.db2.gz UQKDSLNOPYZTCO-CHWSQXEVSA-N 0 3 270.376 3.761 20 10 CHCDHN CCC[N@H+](Cc1cncc(Cl)c1)Cc1ccccc1[O-] ZINC000856726887 1123565548 /nfs/dbraw/zinc/56/55/48/1123565548.db2.gz FRLJUFFPJNJLMK-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN CCC[N@@H+](Cc1cncc(Cl)c1)Cc1ccccc1[O-] ZINC000856726887 1123565549 /nfs/dbraw/zinc/56/55/49/1123565549.db2.gz FRLJUFFPJNJLMK-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN CCc1cccc(CNCc2nccc3c2CCCC3)c1O ZINC000896281451 1123568716 /nfs/dbraw/zinc/56/87/16/1123568716.db2.gz QBKOOSLAPJFQFL-UHFFFAOYSA-N 0 3 296.414 3.518 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c([O-])c1 ZINC000857081919 1123586114 /nfs/dbraw/zinc/58/61/14/1123586114.db2.gz RKWDCHRBOIBUKJ-NEPJUHHUSA-N 0 3 269.335 3.705 20 10 CHCDHN CCc1cccc(F)c1CNCc1cc(C)ccc1O ZINC000858239876 1123639093 /nfs/dbraw/zinc/63/90/93/1123639093.db2.gz VMMAEIMOUFIOIH-UHFFFAOYSA-N 0 3 273.351 3.692 20 10 CHCDHN CC[C@@H]([NH2+]C1CCC(OC)CC1)c1ccc(C)cc1[O-] ZINC000840791703 1123806514 /nfs/dbraw/zinc/80/65/14/1123806514.db2.gz BZEJBECBMCVXAH-ZBCRRDGASA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C)cc1[O-] ZINC000840819128 1123827956 /nfs/dbraw/zinc/82/79/56/1123827956.db2.gz FDJPVAWDBGYCRH-SYAUCNOPSA-N 0 3 259.393 3.930 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CS1 ZINC000840860658 1123860870 /nfs/dbraw/zinc/86/08/70/1123860870.db2.gz VIIDBWXKGOGSER-MIZYBKAJSA-N 0 3 281.396 3.563 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000840872996 1123870266 /nfs/dbraw/zinc/87/02/66/1123870266.db2.gz OTNKXXFAVLSNPF-RVMXOQNASA-N 0 3 297.826 3.818 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(C)cc1[O-] ZINC000840876497 1123900477 /nfs/dbraw/zinc/90/04/77/1123900477.db2.gz NOANBCBFNNPEPT-INIZCTEOSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794796937 1123949923 /nfs/dbraw/zinc/94/99/23/1123949923.db2.gz WBLFWSHTOQTVBK-KRWDZBQOSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccco1)c1ccc(C)cc1[O-] ZINC000794794315 1123951370 /nfs/dbraw/zinc/95/13/70/1123951370.db2.gz LOIZWCOAKZDNMU-HNNXBMFYSA-N 0 3 259.349 3.577 20 10 CHCDHN CC[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000794794548 1123951746 /nfs/dbraw/zinc/95/17/46/1123951746.db2.gz FCBMHVSCCRMIHL-DOTOQJQBSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)CCSC)c1ccc(C)cc1[O-] ZINC000794803729 1123952886 /nfs/dbraw/zinc/95/28/86/1123952886.db2.gz SOMGHMNDNNJYJS-TZMCWYRMSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@H]([NH2+]CCOC1CCCC1)c1ccc(C)cc1[O-] ZINC000794807289 1123954092 /nfs/dbraw/zinc/95/40/92/1123954092.db2.gz XMAVQVFHSFSCSK-INIZCTEOSA-N 0 3 277.408 3.701 20 10 CHCDHN CC[C@@H]([NH2+]CCNc1cccc(C)n1)c1ccc(C)cc1[O-] ZINC000794813001 1123957501 /nfs/dbraw/zinc/95/75/01/1123957501.db2.gz AKSJBWQMTHOTMA-MRXNPFEDSA-N 0 3 299.418 3.557 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794817033 1123959550 /nfs/dbraw/zinc/95/95/50/1123959550.db2.gz OHRLIJIPGMQYFX-PKOBYXMFSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(C)cc1[O-] ZINC000794818973 1123960433 /nfs/dbraw/zinc/96/04/33/1123960433.db2.gz ZWSOTYIGKUXIIK-UKRRQHHQSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(C)cc1[O-] ZINC000794818974 1123960857 /nfs/dbraw/zinc/96/08/57/1123960857.db2.gz ZWSOTYIGKUXIIK-ZFWWWQNUSA-N 0 3 277.408 3.699 20 10 CHCDHN COC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCC(C)CC1 ZINC000794836545 1123971857 /nfs/dbraw/zinc/97/18/57/1123971857.db2.gz UAHNAWPDOACYFL-JZLYGMAVSA-N 0 3 295.398 3.777 20 10 CHCDHN CCC(CC)(C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000865757206 1124011948 /nfs/dbraw/zinc/01/19/48/1124011948.db2.gz MRAUSWCJKZEABU-UHFFFAOYSA-N 0 3 275.314 3.851 20 10 CHCDHN Cc1ccoc1CN(C)Cc1ccc(N(C)C)cc1C ZINC000840950493 1124035852 /nfs/dbraw/zinc/03/58/52/1124035852.db2.gz OEVVZCRMPYKNQG-UHFFFAOYSA-N 0 3 272.392 3.594 20 10 CHCDHN C[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccccc1[O-] ZINC000866543154 1124080982 /nfs/dbraw/zinc/08/09/82/1124080982.db2.gz MHXKSKSWPNFDAF-SNVBAGLBSA-N 0 3 293.354 3.728 20 10 CHCDHN C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1cc(F)ccc1[O-] ZINC000866622539 1124091514 /nfs/dbraw/zinc/09/15/14/1124091514.db2.gz GEWGYLKUBMUYKH-BLLLJJGKSA-N 0 3 293.382 3.674 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])[C@@H](O)c1ccccc1 ZINC000872133304 1124692515 /nfs/dbraw/zinc/69/25/15/1124692515.db2.gz PGJZOZJANRPQFF-FNHZYXHNSA-N 0 3 299.414 3.863 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc(F)c2C1)c1ccccc1[O-] ZINC001170956513 1131313640 /nfs/dbraw/zinc/31/36/40/1131313640.db2.gz XEZQHNPLHODIAC-OCCSQVGLSA-N 0 3 285.362 3.739 20 10 CHCDHN CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])N(C)C ZINC000021521144 1124932675 /nfs/dbraw/zinc/93/26/75/1124932675.db2.gz XHCKRADYTMRTNU-WMLDXEAASA-N 0 3 292.467 3.718 20 10 CHCDHN CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876908089 1124989909 /nfs/dbraw/zinc/98/99/09/1124989909.db2.gz ZGAJFDIGPMTPPP-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876941146 1124991308 /nfs/dbraw/zinc/99/13/08/1124991308.db2.gz IOSFKYWXKRSFFO-UHFFFAOYSA-N 0 3 285.387 3.779 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2c(C)cccc2[O-])c(C)c1 ZINC000876943106 1124991707 /nfs/dbraw/zinc/99/17/07/1124991707.db2.gz BXYIFAOGGUGVKK-UHFFFAOYSA-N 0 3 255.361 3.607 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000877038840 1125001355 /nfs/dbraw/zinc/00/13/55/1125001355.db2.gz ZGROBPVXOFXJOQ-PBHICJAKSA-N 0 3 291.435 3.632 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000877537987 1125040050 /nfs/dbraw/zinc/04/00/50/1125040050.db2.gz RXLXVWOPBWUCHE-VQIMIIECSA-N 0 3 297.398 3.711 20 10 CHCDHN CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755921 1125073329 /nfs/dbraw/zinc/07/33/29/1125073329.db2.gz SVSVRXSGVQCLMY-RDXCRGQUSA-N 0 3 299.351 3.766 20 10 CHCDHN COc1cccc(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758094 1125074557 /nfs/dbraw/zinc/07/45/57/1125074557.db2.gz INSIUQSANBNDHY-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CCSCC1 ZINC000877758151 1125075662 /nfs/dbraw/zinc/07/56/62/1125075662.db2.gz KWPAHUYBZNFWQH-NEPJUHHUSA-N 0 3 265.422 3.575 20 10 CHCDHN Cc1cc(C)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000878455354 1125155243 /nfs/dbraw/zinc/15/52/43/1125155243.db2.gz XAKHQKIHDCFVGT-HNNXBMFYSA-N 0 3 297.446 3.924 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000879650145 1125222469 /nfs/dbraw/zinc/22/24/69/1125222469.db2.gz LQAOJSDYFQZANJ-SIXWZSSISA-N 0 3 297.398 3.963 20 10 CHCDHN COc1cncc(/C=C\CC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879649758 1125223077 /nfs/dbraw/zinc/22/30/77/1125223077.db2.gz GBZMMWAWEBULFB-VSKVDJIOSA-N 0 3 298.386 3.550 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000228667678 1125250977 /nfs/dbraw/zinc/25/09/77/1125250977.db2.gz DBHQOHCKZFQTJF-QWRGUYRKSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000228667678 1125250981 /nfs/dbraw/zinc/25/09/81/1125250981.db2.gz DBHQOHCKZFQTJF-QWRGUYRKSA-N 0 3 283.799 3.675 20 10 CHCDHN Cc1ccc(CN[C@@H]2CCc3cccc(O)c32)c(Cl)n1 ZINC000883301488 1125391989 /nfs/dbraw/zinc/39/19/89/1125391989.db2.gz BCRBFGOSYYHDCE-CYBMUJFWSA-N 0 3 288.778 3.526 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1[O-] ZINC000132751807 1125421245 /nfs/dbraw/zinc/42/12/45/1125421245.db2.gz ZMLPMQOHLDRREK-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1[O-] ZINC000132751807 1125421247 /nfs/dbraw/zinc/42/12/47/1125421247.db2.gz ZMLPMQOHLDRREK-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC(CC)C[N@H+](CC)Cc1cccc(OC)c1[O-] ZINC000132930971 1125427413 /nfs/dbraw/zinc/42/74/13/1125427413.db2.gz CRVDBCHQRYNCKH-UHFFFAOYSA-N 0 3 265.397 3.659 20 10 CHCDHN CCC(CC)C[N@@H+](CC)Cc1cccc(OC)c1[O-] ZINC000132930971 1125427420 /nfs/dbraw/zinc/42/74/20/1125427420.db2.gz CRVDBCHQRYNCKH-UHFFFAOYSA-N 0 3 265.397 3.659 20 10 CHCDHN CSC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001258324814 1129200209 /nfs/dbraw/zinc/20/02/09/1129200209.db2.gz XIUOZJMZJLSEBO-VXGBXAGGSA-N 0 3 267.438 3.963 20 10 CHCDHN C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295974605 1129220713 /nfs/dbraw/zinc/22/07/13/1129220713.db2.gz MVIULIGRMYTHOM-SMDDNHRTSA-N 0 3 273.401 3.662 20 10 CHCDHN C[N@H+](Cc1ccc2c(c1)CCC2)Cc1ccccc1[O-] ZINC000734485650 1129310468 /nfs/dbraw/zinc/31/04/68/1129310468.db2.gz AILODANKXLNWAY-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN C[N@@H+](Cc1ccc2c(c1)CCC2)Cc1ccccc1[O-] ZINC000734485650 1129310472 /nfs/dbraw/zinc/31/04/72/1129310472.db2.gz AILODANKXLNWAY-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN COc1ccc2oc(C[N@H+](C)Cc3ccccc3[O-])cc2c1 ZINC000091974744 1129376380 /nfs/dbraw/zinc/37/63/80/1129376380.db2.gz UEWZWEGIXBQMAE-UHFFFAOYSA-N 0 3 297.354 3.779 20 10 CHCDHN COc1ccc2oc(C[N@@H+](C)Cc3ccccc3[O-])cc2c1 ZINC000091974744 1129376384 /nfs/dbraw/zinc/37/63/84/1129376384.db2.gz UEWZWEGIXBQMAE-UHFFFAOYSA-N 0 3 297.354 3.779 20 10 CHCDHN CC(C)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccn1 ZINC000736648383 1129378399 /nfs/dbraw/zinc/37/83/99/1129378399.db2.gz XVXQMTVMYLYEQA-GOSISDBHSA-N 0 3 283.419 3.635 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C12CCC2 ZINC000248515190 1129420175 /nfs/dbraw/zinc/42/01/75/1129420175.db2.gz NYFCLDBDPWWMRK-HFBAOOFYSA-N 0 3 293.382 3.530 20 10 CHCDHN C[C@@H]([NH2+]CCCOC1CCCCC1)c1cc(F)ccc1[O-] ZINC000094616978 1129448374 /nfs/dbraw/zinc/44/83/74/1129448374.db2.gz GHXRTHDGNKLDEJ-CYBMUJFWSA-N 0 3 295.398 3.921 20 10 CHCDHN Cc1cc(O)c(CN2CCOC3(CCCCC3)C2)cc1C ZINC000742165151 1129468400 /nfs/dbraw/zinc/46/84/00/1129468400.db2.gz FMOATSXCBGGLDV-UHFFFAOYSA-N 0 3 289.419 3.544 20 10 CHCDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000742372239 1129475177 /nfs/dbraw/zinc/47/51/77/1129475177.db2.gz KBWNIXUHYOOFEZ-MRXNPFEDSA-N 0 3 287.382 3.528 20 10 CHCDHN COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(C)C ZINC000742373968 1129475588 /nfs/dbraw/zinc/47/55/88/1129475588.db2.gz MJQUVQRXOAGAAY-GOSISDBHSA-N 0 3 299.414 3.820 20 10 CHCDHN COc1cc(C)c(C[NH2+]C[C@H]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC001206612462 1129523197 /nfs/dbraw/zinc/52/31/97/1129523197.db2.gz JZJGYGUCXPLCHQ-NHAGDIPZSA-N 0 3 291.435 3.871 20 10 CHCDHN C[N@H+](CCc1ccccc1Cl)Cc1ccccc1[O-] ZINC000303400399 1129542248 /nfs/dbraw/zinc/54/22/48/1129542248.db2.gz RKDJKTDDVRMWNJ-UHFFFAOYSA-N 0 3 275.779 3.720 20 10 CHCDHN C[N@@H+](CCc1ccccc1Cl)Cc1ccccc1[O-] ZINC000303400399 1129542252 /nfs/dbraw/zinc/54/22/52/1129542252.db2.gz RKDJKTDDVRMWNJ-UHFFFAOYSA-N 0 3 275.779 3.720 20 10 CHCDHN CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1(C)C ZINC000766331754 1129604722 /nfs/dbraw/zinc/60/47/22/1129604722.db2.gz UKWXERANPLTFBU-APHBMKBZSA-N 0 3 277.408 3.635 20 10 CHCDHN C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccccc1[O-] ZINC000828655693 1131395156 /nfs/dbraw/zinc/39/51/56/1131395156.db2.gz GJTYXPGTSYWAQQ-CABZTGNLSA-N 0 3 274.191 3.627 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccccc1[O-] ZINC000828687177 1131395688 /nfs/dbraw/zinc/39/56/88/1131395688.db2.gz GCAQSEAIYRPXCC-FNHZYXHNSA-N 0 3 299.414 3.598 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1ccccc1[O-] ZINC000828687176 1131395735 /nfs/dbraw/zinc/39/57/35/1131395735.db2.gz GCAQSEAIYRPXCC-DKSSEZFCSA-N 0 3 299.414 3.598 20 10 CHCDHN CCCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000767425679 1129793622 /nfs/dbraw/zinc/79/36/22/1129793622.db2.gz LWBVPEFAVNKZLM-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000767425679 1129793626 /nfs/dbraw/zinc/79/36/26/1129793626.db2.gz LWBVPEFAVNKZLM-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c([O-])c1 ZINC000768172910 1129838907 /nfs/dbraw/zinc/83/89/07/1129838907.db2.gz RLAWSFBMYQTHBE-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)c([O-])c1 ZINC000768172910 1129838911 /nfs/dbraw/zinc/83/89/11/1129838911.db2.gz RLAWSFBMYQTHBE-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN Cc1ccc(CN(Cc2cc(C)ccc2O)C2CC2)o1 ZINC000768257155 1129846979 /nfs/dbraw/zinc/84/69/79/1129846979.db2.gz IJKNJFCZLKKORV-UHFFFAOYSA-N 0 3 271.360 3.767 20 10 CHCDHN CCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768244479 1129850178 /nfs/dbraw/zinc/85/01/78/1129850178.db2.gz MWQNLUOYCLVKAG-UHFFFAOYSA-N 0 3 255.361 3.901 20 10 CHCDHN CCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768244479 1129850182 /nfs/dbraw/zinc/85/01/82/1129850182.db2.gz MWQNLUOYCLVKAG-UHFFFAOYSA-N 0 3 255.361 3.901 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CC2CCC1CC2 ZINC000381987304 1129853544 /nfs/dbraw/zinc/85/35/44/1129853544.db2.gz XBLKXEAFJJSWKV-USPMSXPRSA-N 0 3 259.393 3.697 20 10 CHCDHN COc1cccc(O)c1CN(C)[C@@H](C)c1cccs1 ZINC000768417317 1129858174 /nfs/dbraw/zinc/85/81/74/1129858174.db2.gz MWBHRLACPRAUDI-NSHDSACASA-N 0 3 277.389 3.655 20 10 CHCDHN Cc1cc(Cl)ccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC000768504286 1129858682 /nfs/dbraw/zinc/85/86/82/1129858682.db2.gz HRVAOLPGHGIQNJ-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1cc(Cl)ccc1C[N@H+](C)Cc1ccccc1[O-] ZINC000768504286 1129858687 /nfs/dbraw/zinc/85/86/87/1129858687.db2.gz HRVAOLPGHGIQNJ-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1cc(O)c(CN2CCOc3ccccc3[C@@H]2C)cc1C ZINC000768931934 1129882733 /nfs/dbraw/zinc/88/27/33/1129882733.db2.gz WRJIQKGHFSQCIY-HNNXBMFYSA-N 0 3 297.398 3.965 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc3OC2)c([O-])c1 ZINC000800986222 1129903016 /nfs/dbraw/zinc/90/30/16/1129903016.db2.gz CBIDWXXGRVLDHA-ZBFHGGJFSA-N 0 3 297.398 3.745 20 10 CHCDHN C[C@H]1CSCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769428277 1129907975 /nfs/dbraw/zinc/90/79/75/1129907975.db2.gz PNOFHKFNPMALDG-AWEZNQCLSA-N 0 3 299.439 3.997 20 10 CHCDHN C[C@H]1CSCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769428277 1129907978 /nfs/dbraw/zinc/90/79/78/1129907978.db2.gz PNOFHKFNPMALDG-AWEZNQCLSA-N 0 3 299.439 3.997 20 10 CHCDHN CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000769487073 1129909533 /nfs/dbraw/zinc/90/95/33/1129909533.db2.gz HELYITFFVDCLHM-QGZVFWFLSA-N 0 3 299.414 3.854 20 10 CHCDHN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000769487073 1129909534 /nfs/dbraw/zinc/90/95/34/1129909534.db2.gz HELYITFFVDCLHM-QGZVFWFLSA-N 0 3 299.414 3.854 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000769486542 1129909686 /nfs/dbraw/zinc/90/96/86/1129909686.db2.gz BTLWCNMPROICTI-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC2(C1)CCCCC2 ZINC000769486542 1129909687 /nfs/dbraw/zinc/90/96/87/1129909687.db2.gz BTLWCNMPROICTI-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000769445517 1129910179 /nfs/dbraw/zinc/91/01/79/1129910179.db2.gz JZAOPGGSILOFLB-HOCLYGCPSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000769445517 1129910181 /nfs/dbraw/zinc/91/01/81/1129910181.db2.gz JZAOPGGSILOFLB-HOCLYGCPSA-N 0 3 297.398 3.779 20 10 CHCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)CCSCC)c([O-])c1 ZINC000769548548 1129917376 /nfs/dbraw/zinc/91/73/76/1129917376.db2.gz HTBRDBQSCQIGHL-ZDUSSCGKSA-N 0 3 297.464 3.754 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)CCSCC)c([O-])c1 ZINC000769548548 1129917379 /nfs/dbraw/zinc/91/73/79/1129917379.db2.gz HTBRDBQSCQIGHL-ZDUSSCGKSA-N 0 3 297.464 3.754 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1[O-] ZINC000801527375 1129924288 /nfs/dbraw/zinc/92/42/88/1129924288.db2.gz AFYHNNHDZZRAMS-GOEBONIOSA-N 0 3 289.419 3.925 20 10 CHCDHN CCSc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000769912051 1129929424 /nfs/dbraw/zinc/92/94/24/1129929424.db2.gz SIQIHXWTMYMXFF-UHFFFAOYSA-N 0 3 273.401 3.794 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cnccc1C ZINC000801595293 1129931412 /nfs/dbraw/zinc/93/14/12/1129931412.db2.gz KYFRFEIAZQLHST-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cnccc1C ZINC000801595293 1129931413 /nfs/dbraw/zinc/93/14/13/1129931413.db2.gz KYFRFEIAZQLHST-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000770510082 1129948010 /nfs/dbraw/zinc/94/80/10/1129948010.db2.gz ITPLTLBLMHOAHF-UHFFFAOYSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000770510082 1129948013 /nfs/dbraw/zinc/94/80/13/1129948013.db2.gz ITPLTLBLMHOAHF-UHFFFAOYSA-N 0 3 285.362 3.738 20 10 CHCDHN CC[N@H+](Cc1ccccc1C)Cc1ccccc1[O-] ZINC000770509121 1129948318 /nfs/dbraw/zinc/94/83/18/1129948318.db2.gz IIUIGELDBZRPTA-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN CC[N@@H+](Cc1ccccc1C)Cc1ccccc1[O-] ZINC000770509121 1129948319 /nfs/dbraw/zinc/94/83/19/1129948319.db2.gz IIUIGELDBZRPTA-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)c(C)n1 ZINC000771370740 1129978350 /nfs/dbraw/zinc/97/83/50/1129978350.db2.gz NXRZPXCANDSNOH-CQSZACIVSA-N 0 3 283.419 3.615 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000802308718 1129991417 /nfs/dbraw/zinc/99/14/17/1129991417.db2.gz HGGRSHYOFQKQMX-QKPAOTATSA-N 0 3 291.435 3.945 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccccc1[O-] ZINC000903285403 1130146429 /nfs/dbraw/zinc/14/64/29/1130146429.db2.gz ZILPDGBUEHMVCV-NWDGAFQWSA-N 0 3 265.422 3.717 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc(C)cc1[O-] ZINC000903312724 1130151841 /nfs/dbraw/zinc/15/18/41/1130151841.db2.gz XXROKCJCXJDKMK-WCQYABFASA-N 0 3 276.405 3.959 20 10 CHCDHN C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cc(F)ccc1[O-] ZINC000903335407 1130160297 /nfs/dbraw/zinc/16/02/97/1130160297.db2.gz OTKCLGUPCIYOIV-GTNSWQLSSA-N 0 3 286.350 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](C)c2ccccn2)c1[O-] ZINC000826803613 1130283567 /nfs/dbraw/zinc/28/35/67/1130283567.db2.gz PHYIMDFTFCICCA-LBPRGKRZSA-N 0 3 290.794 3.642 20 10 CHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CC[C@@H](C)C2)C1 ZINC001170152355 1130361751 /nfs/dbraw/zinc/36/17/51/1130361751.db2.gz KQJOUJKBZSGXHW-ZIAGYGMSSA-N 0 3 298.430 3.734 20 10 CHCDHN CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756340662 1130418536 /nfs/dbraw/zinc/41/85/36/1130418536.db2.gz KNUPHUBPIWGSQF-JFGNBEQYSA-N 0 3 251.345 3.858 20 10 CHCDHN COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000747100307 1130517304 /nfs/dbraw/zinc/51/73/04/1130517304.db2.gz VOLYREUNBJAAIZ-UONOGXRCSA-N 0 3 285.387 3.683 20 10 CHCDHN CN(Cc1ccc(C(C)(C)C)[nH]1)Cc1ccccc1O ZINC001137377671 1130539531 /nfs/dbraw/zinc/53/95/31/1130539531.db2.gz FRKYGVYLTGHGRD-UHFFFAOYSA-N 0 3 272.392 3.650 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)CCc2cccc(C)c2)c([O-])c1 ZINC000793387499 1130551418 /nfs/dbraw/zinc/55/14/18/1130551418.db2.gz FQPKPSVNEIJFJE-OAHLLOKOSA-N 0 3 299.414 3.820 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c([O-])c1 ZINC000811514011 1130619631 /nfs/dbraw/zinc/61/96/31/1130619631.db2.gz ZSNIYCUDKXMZEQ-QGZVFWFLSA-N 0 3 287.403 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c([O-])c1 ZINC000811514011 1130619634 /nfs/dbraw/zinc/61/96/34/1130619634.db2.gz ZSNIYCUDKXMZEQ-QGZVFWFLSA-N 0 3 287.403 3.555 20 10 CHCDHN CCOc1ccc(C[NH+]2CCC(C)(C3CC3)CC2)c([O-])c1 ZINC000811514575 1130620406 /nfs/dbraw/zinc/62/04/06/1130620406.db2.gz NMQWELJGKOFNNB-UHFFFAOYSA-N 0 3 289.419 3.803 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000780571063 1130684500 /nfs/dbraw/zinc/68/45/00/1130684500.db2.gz VZFKOLHNNVRFAN-GOSISDBHSA-N 0 3 295.382 3.842 20 10 CHCDHN COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccccc1[O-])[C@@H]2C ZINC000781925940 1130748875 /nfs/dbraw/zinc/74/88/75/1130748875.db2.gz CJTVZJDFYBRCEK-ZIAGYGMSSA-N 0 3 297.398 3.909 20 10 CHCDHN COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccccc1[O-])[C@@H]2C ZINC000781925940 1130748880 /nfs/dbraw/zinc/74/88/80/1130748880.db2.gz CJTVZJDFYBRCEK-ZIAGYGMSSA-N 0 3 297.398 3.909 20 10 CHCDHN Nc1ccc(CN2CCC[C@H]2c2ccccc2F)cc1 ZINC001235718157 1130773189 /nfs/dbraw/zinc/77/31/89/1130773189.db2.gz FIXXJCHLMKPYNC-KRWDZBQOSA-N 0 3 270.351 3.745 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000695135306 1130792603 /nfs/dbraw/zinc/79/26/03/1130792603.db2.gz CFPZQVUYGIBMQC-KOLCDFICSA-N 0 3 273.298 3.760 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)c2c1c(F)ccc2[O-] ZINC000813872904 1130793563 /nfs/dbraw/zinc/79/35/63/1130793563.db2.gz LGMJKBWICQVYMX-LDYMZIIASA-N 0 3 285.309 3.715 20 10 CHCDHN C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccccc1[O-] ZINC000783514453 1130833296 /nfs/dbraw/zinc/83/32/96/1130833296.db2.gz PZEHKEDZJKUEOO-LBPRGKRZSA-N 0 3 298.361 3.906 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccccc1[O-] ZINC000783520324 1130833575 /nfs/dbraw/zinc/83/35/75/1130833575.db2.gz XKDFXMQBAVCGLE-XJKSGUPXSA-N 0 3 277.408 3.638 20 10 CHCDHN CSC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000814179591 1130836218 /nfs/dbraw/zinc/83/62/18/1130836218.db2.gz VMTHJDTWRUOYAB-LBPRGKRZSA-N 0 3 299.867 3.929 20 10 CHCDHN CSC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000814179591 1130836223 /nfs/dbraw/zinc/83/62/23/1130836223.db2.gz VMTHJDTWRUOYAB-LBPRGKRZSA-N 0 3 299.867 3.929 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCC3)c([O-])c1 ZINC000814169962 1130838587 /nfs/dbraw/zinc/83/85/87/1130838587.db2.gz QIVCNQGSWRMLHN-UHFFFAOYSA-N 0 3 297.398 3.569 20 10 CHCDHN CC[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(C)cc1[O-] ZINC000797058263 1130957755 /nfs/dbraw/zinc/95/77/55/1130957755.db2.gz RIKIYAJVMUBZDX-INIZCTEOSA-N 0 3 295.386 3.589 20 10 CHCDHN Cc1ccc(C(C)(C)NCc2ccc(N(C)C)c(C)c2)cn1 ZINC000815092170 1130960833 /nfs/dbraw/zinc/96/08/33/1130960833.db2.gz BJJJINRGEDWQLT-UHFFFAOYSA-N 0 3 297.446 3.789 20 10 CHCDHN CO[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000815153765 1130964119 /nfs/dbraw/zinc/96/41/19/1130964119.db2.gz XXHOGXKNNPTQSS-IBGZPJMESA-N 0 3 297.398 3.574 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC(C)=C[C@H](C)C3)c2c1 ZINC000797416025 1130985687 /nfs/dbraw/zinc/98/56/87/1130985687.db2.gz FMKFVWRSPRFWJT-ZDUSSCGKSA-N 0 3 297.398 3.952 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC(C)=C[C@H](C)C3)c2c1 ZINC000797416025 1130985691 /nfs/dbraw/zinc/98/56/91/1130985691.db2.gz FMKFVWRSPRFWJT-ZDUSSCGKSA-N 0 3 297.398 3.952 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001236784593 1131005774 /nfs/dbraw/zinc/00/57/74/1131005774.db2.gz XBIMFJHCTKZDIC-GFCCVEGCSA-N 0 3 283.362 3.822 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001236784593 1131005779 /nfs/dbraw/zinc/00/57/79/1131005779.db2.gz XBIMFJHCTKZDIC-GFCCVEGCSA-N 0 3 283.362 3.822 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)c([O-])c1 ZINC001236783658 1131006767 /nfs/dbraw/zinc/00/67/67/1131006767.db2.gz OASVMKITJSEROW-INIZCTEOSA-N 0 3 265.372 3.669 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)c([O-])c1 ZINC001236785191 1131007709 /nfs/dbraw/zinc/00/77/09/1131007709.db2.gz GUQDHMXXQMQSOL-UHFFFAOYSA-N 0 3 285.387 3.595 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2)c([O-])c1 ZINC001236785191 1131007714 /nfs/dbraw/zinc/00/77/14/1131007714.db2.gz GUQDHMXXQMQSOL-UHFFFAOYSA-N 0 3 285.387 3.595 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000815576436 1131008096 /nfs/dbraw/zinc/00/80/96/1131008096.db2.gz QHXNNJRSJXABJR-CABCVRRESA-N 0 3 299.414 3.996 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2ccc(OC)cc2)c([O-])c1 ZINC001236795576 1131010359 /nfs/dbraw/zinc/01/03/59/1131010359.db2.gz WNGIRUYRBTURCF-UHFFFAOYSA-N 0 3 299.414 3.638 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2ccc(OC)cc2)c([O-])c1 ZINC001236795576 1131010363 /nfs/dbraw/zinc/01/03/63/1131010363.db2.gz WNGIRUYRBTURCF-UHFFFAOYSA-N 0 3 299.414 3.638 20 10 CHCDHN COC1(CC[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000815642155 1131013563 /nfs/dbraw/zinc/01/35/63/1131013563.db2.gz UBIDJBWPIZTOGE-WCQYABFASA-N 0 3 293.382 3.628 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccccc1[O-] ZINC000815648118 1131016360 /nfs/dbraw/zinc/01/63/60/1131016360.db2.gz FDCQXESLDYQXHA-NVXWUHKLSA-N 0 3 291.435 3.622 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001236826686 1131016483 /nfs/dbraw/zinc/01/64/83/1131016483.db2.gz LSVHIUWEYWKYQU-IBGZPJMESA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001236826686 1131016485 /nfs/dbraw/zinc/01/64/85/1131016485.db2.gz LSVHIUWEYWKYQU-IBGZPJMESA-N 0 3 297.398 3.548 20 10 CHCDHN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236830903 1131016724 /nfs/dbraw/zinc/01/67/24/1131016724.db2.gz DLGKYEWAUUXMRU-GOSISDBHSA-N 0 3 299.414 3.935 20 10 CHCDHN COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236830903 1131016731 /nfs/dbraw/zinc/01/67/31/1131016731.db2.gz DLGKYEWAUUXMRU-GOSISDBHSA-N 0 3 299.414 3.935 20 10 CHCDHN CC1CC([N@H+](C)Cc2cc3ccccc3cc2[O-])C1 ZINC001236826768 1131016809 /nfs/dbraw/zinc/01/68/09/1131016809.db2.gz MRCPVENUFRRQRW-UHFFFAOYSA-N 0 3 255.361 3.776 20 10 CHCDHN CC1CC([N@@H+](C)Cc2cc3ccccc3cc2[O-])C1 ZINC001236826768 1131016811 /nfs/dbraw/zinc/01/68/11/1131016811.db2.gz MRCPVENUFRRQRW-UHFFFAOYSA-N 0 3 255.361 3.776 20 10 CHCDHN CC(C)C1([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000815647600 1131017172 /nfs/dbraw/zinc/01/71/72/1131017172.db2.gz PGUDZWBDTYDRFV-JQWIXIFHSA-N 0 3 263.356 3.858 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CC2(CCC2)C1 ZINC001236826707 1131017299 /nfs/dbraw/zinc/01/72/99/1131017299.db2.gz LXOGFYDPRCCIKU-UHFFFAOYSA-N 0 3 253.345 3.531 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CC2(C1)CCCC2 ZINC001236827201 1131017622 /nfs/dbraw/zinc/01/76/22/1131017622.db2.gz RARNUWNKKOOQNE-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC2(CCCO2)CC1 ZINC001236832629 1131019912 /nfs/dbraw/zinc/01/99/12/1131019912.db2.gz JIWZGEFNJUYLAY-UHFFFAOYSA-N 0 3 297.398 3.690 20 10 CHCDHN COCCC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236840031 1131020245 /nfs/dbraw/zinc/02/02/45/1131020245.db2.gz HGZUKKLWZDIQQF-UHFFFAOYSA-N 0 3 299.414 3.794 20 10 CHCDHN COC1(C)CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237044356 1131038815 /nfs/dbraw/zinc/03/88/15/1131038815.db2.gz CDLNVIURQUKIPN-UHFFFAOYSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(CN2CCc3c(O)cccc3C2)c(O)c1 ZINC001237045884 1131041322 /nfs/dbraw/zinc/04/13/22/1131041322.db2.gz MHUDAVXKXUBHNV-UHFFFAOYSA-N 0 3 297.398 3.780 20 10 CHCDHN CC1(F)CCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237137938 1131054501 /nfs/dbraw/zinc/05/45/01/1131054501.db2.gz SIPKTLXPGOSHNX-UHFFFAOYSA-N 0 3 291.288 3.735 20 10 CHCDHN CC1(F)CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237137938 1131054506 /nfs/dbraw/zinc/05/45/06/1131054506.db2.gz SIPKTLXPGOSHNX-UHFFFAOYSA-N 0 3 291.288 3.735 20 10 CHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC1CCC1 ZINC001237140106 1131059110 /nfs/dbraw/zinc/05/91/10/1131059110.db2.gz UYKZFBZUIVJFCE-UHFFFAOYSA-N 0 3 273.298 3.643 20 10 CHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC1CCC1 ZINC001237140106 1131059115 /nfs/dbraw/zinc/05/91/15/1131059115.db2.gz UYKZFBZUIVJFCE-UHFFFAOYSA-N 0 3 273.298 3.643 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccccc1[O-] ZINC000798938299 1131062630 /nfs/dbraw/zinc/06/26/30/1131062630.db2.gz WIUOMNMBENMJQL-NVXWUHKLSA-N 0 3 291.435 3.622 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001237491053 1131104615 /nfs/dbraw/zinc/10/46/15/1131104615.db2.gz FVWUFHZTXYLFFC-AWEZNQCLSA-N 0 3 277.383 3.805 20 10 CHCDHN CC1C[NH+](Cc2cc(-c3ccc(F)cc3)ccc2[O-])C1 ZINC001237641651 1131123250 /nfs/dbraw/zinc/12/32/50/1131123250.db2.gz UXHSTOFYWXYOHY-UHFFFAOYSA-N 0 3 271.335 3.650 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(CF)C2)c1[O-] ZINC001237682077 1131126205 /nfs/dbraw/zinc/12/62/05/1131126205.db2.gz XIZYAZCLNPDMNR-AWEZNQCLSA-N 0 3 271.763 3.536 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(CF)C2)c1[O-] ZINC001237682077 1131126208 /nfs/dbraw/zinc/12/62/08/1131126208.db2.gz XIZYAZCLNPDMNR-AWEZNQCLSA-N 0 3 271.763 3.536 20 10 CHCDHN Cc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)C2)c1O ZINC001237685484 1131127151 /nfs/dbraw/zinc/12/71/51/1131127151.db2.gz DAYLICVPQPWCBO-SNVBAGLBSA-N 0 3 293.716 3.738 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)CC23CC3)c1[O-] ZINC001237689756 1131128734 /nfs/dbraw/zinc/12/87/34/1131128734.db2.gz PNIGVETUTKZOBB-JTQLQIEISA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)CC23CC3)c1[O-] ZINC001237689756 1131128739 /nfs/dbraw/zinc/12/87/39/1131128739.db2.gz PNIGVETUTKZOBB-JTQLQIEISA-N 0 3 265.784 3.728 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)c([O-])c1 ZINC001116487243 1131149771 /nfs/dbraw/zinc/14/97/71/1131149771.db2.gz CSVJEOJYEKXHRS-GFCCVEGCSA-N 0 3 289.375 3.852 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC001238066796 1131166507 /nfs/dbraw/zinc/16/65/07/1131166507.db2.gz LEZXYWNNGPPJNO-ZIAGYGMSSA-N 0 3 277.383 3.852 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC001238066796 1131166510 /nfs/dbraw/zinc/16/65/10/1131166510.db2.gz LEZXYWNNGPPJNO-ZIAGYGMSSA-N 0 3 277.383 3.852 20 10 CHCDHN Cc1cc(F)cc(CN2CCC(C(F)(F)F)CC2)c1O ZINC001238061031 1131167041 /nfs/dbraw/zinc/16/70/41/1131167041.db2.gz KEFCTNSQBALJOA-UHFFFAOYSA-N 0 3 291.288 3.614 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CCSCC3)c([O-])c1 ZINC000817589583 1131175295 /nfs/dbraw/zinc/17/52/95/1131175295.db2.gz OQAKKOIVPSPAOI-KBPBESRZSA-N 0 3 291.460 3.885 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000818355369 1131210301 /nfs/dbraw/zinc/21/03/01/1131210301.db2.gz DORZBRTWZYHRAG-JOYOIKCWSA-N 0 3 296.208 3.666 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000818360194 1131211868 /nfs/dbraw/zinc/21/18/68/1131211868.db2.gz OBEPEEFRTUQLJW-HNCHTBHHSA-N 0 3 265.784 3.803 20 10 CHCDHN C[C@@H](CF)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824432739 1131468171 /nfs/dbraw/zinc/46/81/71/1131468171.db2.gz APDIUDLXYDZHEG-ZDUSSCGKSA-N 0 3 292.423 3.832 20 10 CHCDHN Fc1cccc2c1CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000824468199 1131471515 /nfs/dbraw/zinc/47/15/15/1131471515.db2.gz FZEWRULTVASGJR-SFHVURJKSA-N 0 3 297.373 3.928 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(CC)CCCC2)c([O-])c1 ZINC000824651020 1131478188 /nfs/dbraw/zinc/47/81/88/1131478188.db2.gz SKORGRKXKOGHGC-UHFFFAOYSA-N 0 3 263.381 3.603 20 10 CHCDHN Oc1ccccc1CN1CC(c2cccc(Cl)c2)C1 ZINC000824988289 1131493923 /nfs/dbraw/zinc/49/39/23/1131493923.db2.gz ISIXWAVZCFJQDC-UHFFFAOYSA-N 0 3 273.763 3.645 20 10 CHCDHN CCN(CC)c1ccc(CN2CCC[C@H]3C[C@H]32)c(OC)c1 ZINC001138391559 1131497971 /nfs/dbraw/zinc/49/79/71/1131497971.db2.gz FYDSYSPDGFDKDS-WMLDXEAASA-N 0 3 288.435 3.526 20 10 CHCDHN Cn1c(C[N@H+](C)Cc2ccccc2[O-])cc2ccccc21 ZINC001139872727 1131643959 /nfs/dbraw/zinc/64/39/59/1131643959.db2.gz UZFWLRGQTRXRBI-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN Cn1c(C[N@@H+](C)Cc2ccccc2[O-])cc2ccccc21 ZINC001139872727 1131643960 /nfs/dbraw/zinc/64/39/60/1131643960.db2.gz UZFWLRGQTRXRBI-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN CC[N@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1[O-] ZINC001140058737 1131660509 /nfs/dbraw/zinc/66/05/09/1131660509.db2.gz KITZANVZCGTCNU-UHFFFAOYSA-N 0 3 277.314 3.693 20 10 CHCDHN CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1[O-] ZINC001140058737 1131660513 /nfs/dbraw/zinc/66/05/13/1131660513.db2.gz KITZANVZCGTCNU-UHFFFAOYSA-N 0 3 277.314 3.693 20 10 CHCDHN CC[N@H+](Cc1c[nH]c2cccc(O)c12)Cc1ccccc1[O-] ZINC001140235271 1131679752 /nfs/dbraw/zinc/67/97/52/1131679752.db2.gz WQVZEVUEAAJZLX-UHFFFAOYSA-N 0 3 296.370 3.601 20 10 CHCDHN CC[N@@H+](Cc1c[nH]c2cccc(O)c12)Cc1ccccc1[O-] ZINC001140235271 1131679753 /nfs/dbraw/zinc/67/97/53/1131679753.db2.gz WQVZEVUEAAJZLX-UHFFFAOYSA-N 0 3 296.370 3.601 20 10 CHCDHN CC(C)Oc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834518633 1131680970 /nfs/dbraw/zinc/68/09/70/1131680970.db2.gz KYCVUJNFMCJNJN-QGZVFWFLSA-N 0 3 297.398 3.957 20 10 CHCDHN CSc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834530115 1131681784 /nfs/dbraw/zinc/68/17/84/1131681784.db2.gz BXDQGMYOABMHNA-OAHLLOKOSA-N 0 3 285.412 3.891 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOC1CCCCCC1)CC2 ZINC000834595322 1131686292 /nfs/dbraw/zinc/68/62/92/1131686292.db2.gz XPZUVFLXRRPFMK-INIZCTEOSA-N 0 3 289.419 3.709 20 10 CHCDHN Cc1ccsc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834696901 1131694146 /nfs/dbraw/zinc/69/41/46/1131694146.db2.gz ATLLIBXVLYTQHB-CYBMUJFWSA-N 0 3 273.401 3.582 20 10 CHCDHN Cc1ccsc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834696902 1131694328 /nfs/dbraw/zinc/69/43/28/1131694328.db2.gz ATLLIBXVLYTQHB-ZDUSSCGKSA-N 0 3 273.401 3.582 20 10 CHCDHN CCc1cnccc1[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834698222 1131695586 /nfs/dbraw/zinc/69/55/86/1131695586.db2.gz WSQJRYYIHNFRAK-WBMJQRKESA-N 0 3 282.387 3.688 20 10 CHCDHN C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1ccccc1[O-] ZINC000846185850 1131697492 /nfs/dbraw/zinc/69/74/92/1131697492.db2.gz UDTRKNACVWEWIU-BPNCWPANSA-N 0 3 271.763 3.748 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c([O-])c1 ZINC000846185470 1131697680 /nfs/dbraw/zinc/69/76/80/1131697680.db2.gz AERNYZFWRFXFRN-ACJLOTCBSA-N 0 3 289.419 3.556 20 10 CHCDHN CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834843802 1131711894 /nfs/dbraw/zinc/71/18/94/1131711894.db2.gz MBQWWKBGWPMNGP-HOTGVXAUSA-N 0 3 290.451 3.553 20 10 CHCDHN Cc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)ccn1 ZINC000834859566 1131712928 /nfs/dbraw/zinc/71/29/28/1131712928.db2.gz DJLUSZGUABJCJP-HZMBPMFUSA-N 0 3 286.350 3.573 20 10 CHCDHN CCC1([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000834874565 1131714767 /nfs/dbraw/zinc/71/47/67/1131714767.db2.gz FAIQOAVNZSHISH-SNVBAGLBSA-N 0 3 253.773 3.947 20 10 CHCDHN CO[C@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000834885071 1131718286 /nfs/dbraw/zinc/71/82/86/1131718286.db2.gz SVWLEXSMWYOCGY-KBXCAEBGSA-N 0 3 285.387 3.605 20 10 CHCDHN CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000834885017 1131718798 /nfs/dbraw/zinc/71/87/98/1131718798.db2.gz RTOFEVAQZBBSCR-KXBFYZLASA-N 0 3 299.414 3.913 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(Cc3ccc(F)cc3)CC1)CC2 ZINC000834897888 1131724332 /nfs/dbraw/zinc/72/43/32/1131724332.db2.gz WSMGSRGHERWYII-INIZCTEOSA-N 0 3 297.373 3.884 20 10 CHCDHN CCCc1ncc(CN[C@@H](CC)c2ccc(C)cc2O)o1 ZINC000834900955 1131725617 /nfs/dbraw/zinc/72/56/17/1131725617.db2.gz USDWPEUOJBZHNM-HNNXBMFYSA-N 0 3 288.391 3.882 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1ccc(C)cc1[O-] ZINC000834901921 1131726814 /nfs/dbraw/zinc/72/68/14/1131726814.db2.gz BSFOUGOWXTXEIJ-ISTRZQFTSA-N 0 3 277.408 3.555 20 10 CHCDHN CC[C@H]([NH2+]Cc1cnc(C)cc1C)c1ccc(C)cc1[O-] ZINC000834902104 1131726945 /nfs/dbraw/zinc/72/69/45/1131726945.db2.gz DURSLBFCLLBMMD-KRWDZBQOSA-N 0 3 284.403 3.953 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000834908199 1131730220 /nfs/dbraw/zinc/73/02/20/1131730220.db2.gz BTUWYVZZPFIKEU-CABCVRRESA-N 0 3 291.435 3.865 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000834909108 1131730393 /nfs/dbraw/zinc/73/03/93/1131730393.db2.gz JBPSHAPAQXDNIO-ZIAGYGMSSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccccc1[O-] ZINC000834911517 1131731935 /nfs/dbraw/zinc/73/19/35/1131731935.db2.gz TZZJOKHSOYTWCN-DZGCQCFKSA-N 0 3 277.408 3.638 20 10 CHCDHN CCC[N@H+](Cc1c(C)nsc1C)Cc1ccccc1[O-] ZINC000846809476 1131742530 /nfs/dbraw/zinc/74/25/30/1131742530.db2.gz PQFYXIOFZAIEPP-UHFFFAOYSA-N 0 3 290.432 3.878 20 10 CHCDHN CCC[N@@H+](Cc1c(C)nsc1C)Cc1ccccc1[O-] ZINC000846809476 1131742536 /nfs/dbraw/zinc/74/25/36/1131742536.db2.gz PQFYXIOFZAIEPP-UHFFFAOYSA-N 0 3 290.432 3.878 20 10 CHCDHN CN(C)c1ccc(/C=C/CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000835025435 1131759461 /nfs/dbraw/zinc/75/94/61/1131759461.db2.gz VJSMIJQBRIRMEH-FHHGHWCOSA-N 0 3 295.430 3.931 20 10 CHCDHN C[C@H]1CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921962 1131963435 /nfs/dbraw/zinc/96/34/35/1131963435.db2.gz YGYYFJSRKHBJLI-LBPRGKRZSA-N 0 3 266.816 3.638 20 10 CHCDHN CN(C)c1ccc(CN2C3CCC2CC3)c(Cl)c1 ZINC001140925638 1131965654 /nfs/dbraw/zinc/96/56/54/1131965654.db2.gz UHAUQILGXWEBQA-UHFFFAOYSA-N 0 3 264.800 3.533 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)c([O-])c1 ZINC001140947831 1131969199 /nfs/dbraw/zinc/96/91/99/1131969199.db2.gz HOYBHJANOIKWLP-UHFFFAOYSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2cccc3cccnc32)c([O-])c1 ZINC001140949855 1131970059 /nfs/dbraw/zinc/97/00/59/1131970059.db2.gz NNBIMRGICRMOFY-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2cccc3cccnc32)c([O-])c1 ZINC001140949855 1131970065 /nfs/dbraw/zinc/97/00/65/1131970065.db2.gz NNBIMRGICRMOFY-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN CCN(Cc1ccc(C)cc1O)Cc1ccccc1F ZINC001140950954 1131971499 /nfs/dbraw/zinc/97/14/99/1131971499.db2.gz QLXXJHPUUWQORB-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001140950979 1131972446 /nfs/dbraw/zinc/97/24/46/1131972446.db2.gz RONZBACKZMTSFY-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001140950979 1131972449 /nfs/dbraw/zinc/97/24/49/1131972449.db2.gz RONZBACKZMTSFY-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c([O-])c1 ZINC001140958303 1131973468 /nfs/dbraw/zinc/97/34/68/1131973468.db2.gz XFUCXRFKAGLUNQ-IYBDPMFKSA-N 0 3 279.383 3.787 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c([O-])c1 ZINC001140958303 1131973469 /nfs/dbraw/zinc/97/34/69/1131973469.db2.gz XFUCXRFKAGLUNQ-IYBDPMFKSA-N 0 3 279.383 3.787 20 10 CHCDHN C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1[O-] ZINC000716210940 1132022482 /nfs/dbraw/zinc/02/24/82/1132022482.db2.gz CQXWORACCANJTI-OOHWJJMZSA-N 0 3 297.398 3.791 20 10 CHCDHN Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001171659424 1132070422 /nfs/dbraw/zinc/07/04/22/1132070422.db2.gz CAOFRXXUDFDTMS-CQSZACIVSA-N 0 3 285.387 3.517 20 10 CHCDHN FC1CC2(C1)CN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000839141043 1132184827 /nfs/dbraw/zinc/18/48/27/1132184827.db2.gz XSFNTMIMHRTZCG-UHFFFAOYSA-N 0 3 288.410 3.611 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)nc1C ZINC000840783290 1132286899 /nfs/dbraw/zinc/28/68/99/1132286899.db2.gz IMLLVVWRQZFRDI-OAHLLOKOSA-N 0 3 284.403 3.872 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)CC2 ZINC000840788270 1132287752 /nfs/dbraw/zinc/28/77/52/1132287752.db2.gz XOLYWLRUCWVQNH-CWRNSKLLSA-N 0 3 283.346 3.664 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)c1ccncc1 ZINC000840938336 1132310175 /nfs/dbraw/zinc/31/01/75/1132310175.db2.gz BUZLUEWECXVWEB-HNNXBMFYSA-N 0 3 283.419 3.649 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(Cc1cccnc1)C1CC1 ZINC000840945226 1132312109 /nfs/dbraw/zinc/31/21/09/1132312109.db2.gz FDOUAGUXSBXHPE-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN CCOc1ccc(O)c(CN(CC)Cc2occc2C)c1 ZINC000840970616 1132315676 /nfs/dbraw/zinc/31/56/76/1132315676.db2.gz UUAWLXCHGDZPHX-UHFFFAOYSA-N 0 3 289.375 3.714 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001231586167 1132316739 /nfs/dbraw/zinc/31/67/39/1132316739.db2.gz CKQPADZGAXBLRF-HNAYVOBHSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001231586167 1132316744 /nfs/dbraw/zinc/31/67/44/1132316744.db2.gz CKQPADZGAXBLRF-HNAYVOBHSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001231586166 1132317512 /nfs/dbraw/zinc/31/75/12/1132317512.db2.gz CKQPADZGAXBLRF-DNVCBOLYSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001231586166 1132317518 /nfs/dbraw/zinc/31/75/18/1132317518.db2.gz CKQPADZGAXBLRF-DNVCBOLYSA-N 0 3 297.398 3.546 20 10 CHCDHN CCCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588990 1132317585 /nfs/dbraw/zinc/31/75/85/1132317585.db2.gz ULORAGHMBVQGIG-HNNXBMFYSA-N 0 3 285.387 3.546 20 10 CHCDHN CCCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588990 1132317590 /nfs/dbraw/zinc/31/75/90/1132317590.db2.gz ULORAGHMBVQGIG-HNNXBMFYSA-N 0 3 285.387 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001231586165 1132317881 /nfs/dbraw/zinc/31/78/81/1132317881.db2.gz CKQPADZGAXBLRF-BEFAXECRSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001231586165 1132317889 /nfs/dbraw/zinc/31/78/89/1132317889.db2.gz CKQPADZGAXBLRF-BEFAXECRSA-N 0 3 297.398 3.546 20 10 CHCDHN Cc1cc(C)c(CN(C)Cc2ccccc2F)c(O)c1 ZINC001231845943 1132379320 /nfs/dbraw/zinc/37/93/20/1132379320.db2.gz VWJBHBILGJAULJ-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC001231854012 1132380119 /nfs/dbraw/zinc/38/01/19/1132380119.db2.gz VOAPIPIECUUKJT-WMLDXEAASA-N 0 3 288.435 3.526 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC2(CCC2)O1 ZINC000842642332 1132447564 /nfs/dbraw/zinc/44/75/64/1132447564.db2.gz JFNNHBSZIIRCMT-CQSZACIVSA-N 0 3 297.398 3.689 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC2(CCC2)O1 ZINC000842642332 1132447566 /nfs/dbraw/zinc/44/75/66/1132447566.db2.gz JFNNHBSZIIRCMT-CQSZACIVSA-N 0 3 297.398 3.689 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(C)cc1[O-] ZINC000842931002 1132477358 /nfs/dbraw/zinc/47/73/58/1132477358.db2.gz ZXOUFUCMGAMBQF-KQTLUZQSSA-N 0 3 259.393 3.930 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCS[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000842929960 1132478028 /nfs/dbraw/zinc/47/80/28/1132478028.db2.gz RAWMUMAXUZVUIW-LSKIRQOJSA-N 0 3 281.396 3.563 20 10 CHCDHN CN(Cc1ccncc1)Cc1cccc(C(C)(C)C)c1O ZINC001143104183 1132501959 /nfs/dbraw/zinc/50/19/59/1132501959.db2.gz QJOHSGQSCWWWQD-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808695214 1132765431 /nfs/dbraw/zinc/76/54/31/1132765431.db2.gz MAPBVCVAUIVJPE-ABAIWWIYSA-N 0 3 299.842 3.802 20 10 CHCDHN COc1ccccc1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203557062 1133339614 /nfs/dbraw/zinc/33/96/14/1133339614.db2.gz YNYGLQSWOMIQPJ-UHFFFAOYSA-N 0 3 297.398 3.780 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccc(OC)cc2[O-])cc1 ZINC001203628992 1133346699 /nfs/dbraw/zinc/34/66/99/1133346699.db2.gz MRKHYEWNOQPGFX-UHFFFAOYSA-N 0 3 285.387 3.595 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2[O-])cc1 ZINC001203628992 1133346705 /nfs/dbraw/zinc/34/67/05/1133346705.db2.gz MRKHYEWNOQPGFX-UHFFFAOYSA-N 0 3 285.387 3.595 20 10 CHCDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(O)c(O)c2)c1 ZINC001203873289 1133378805 /nfs/dbraw/zinc/37/88/05/1133378805.db2.gz BFMGTBGIEZNOAF-INIZCTEOSA-N 0 3 283.371 3.743 20 10 CHCDHN CN(C)c1ccc(CN2CCSc3ccccc3C2)cc1 ZINC001203935663 1133386502 /nfs/dbraw/zinc/38/65/02/1133386502.db2.gz AOINLCZUWUJEGG-UHFFFAOYSA-N 0 3 298.455 3.861 20 10 CHCDHN CC[C@H]1COCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204239619 1133424770 /nfs/dbraw/zinc/42/47/70/1133424770.db2.gz AKHZXLYGIGBHSW-INIZCTEOSA-N 0 3 298.430 3.517 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001204277877 1133427520 /nfs/dbraw/zinc/42/75/20/1133427520.db2.gz NOOQVGJADFSRBJ-UHFFFAOYSA-N 0 3 283.371 3.653 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001204277877 1133427522 /nfs/dbraw/zinc/42/75/22/1133427522.db2.gz NOOQVGJADFSRBJ-UHFFFAOYSA-N 0 3 283.371 3.653 20 10 CHCDHN CC[N@H+](Cc1ccc2ccccc2n1)Cc1ccccc1[O-] ZINC001204506011 1133454616 /nfs/dbraw/zinc/45/46/16/1133454616.db2.gz ZXAPENRALKKZPV-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccc2ccccc2n1)Cc1ccccc1[O-] ZINC001204506011 1133454620 /nfs/dbraw/zinc/45/46/20/1133454620.db2.gz ZXAPENRALKKZPV-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC(C)[C@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001204657193 1133472225 /nfs/dbraw/zinc/47/22/25/1133472225.db2.gz BKNCCABSYFLBDD-OAHLLOKOSA-N 0 3 282.378 3.651 20 10 CHCDHN C[N@H+](Cc1ccc2[nH]ccc2c1)Cc1ccccc1[O-] ZINC001204827725 1133490336 /nfs/dbraw/zinc/49/03/36/1133490336.db2.gz XJMXBXZDEWMRNR-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN C[N@@H+](Cc1ccc2[nH]ccc2c1)Cc1ccccc1[O-] ZINC001204827725 1133490340 /nfs/dbraw/zinc/49/03/40/1133490340.db2.gz XJMXBXZDEWMRNR-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN COc1cc(C)c(C[NH2+]C/C=C\c2ccccc2)c([O-])c1 ZINC001204984346 1133512404 /nfs/dbraw/zinc/51/24/04/1133512404.db2.gz IUQJARFOKIJUTQ-TWGQIWQCSA-N 0 3 283.371 3.512 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)Cc1cccc(F)c1 ZINC001205157264 1133538582 /nfs/dbraw/zinc/53/85/82/1133538582.db2.gz YQDTWNPIALUHQK-UHFFFAOYSA-N 0 3 286.394 3.832 20 10 CHCDHN CCC1(CC)[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@@H]1OC ZINC001207160049 1133773563 /nfs/dbraw/zinc/77/35/63/1133773563.db2.gz NKBBZSUPYLATIM-RCBQFDQVSA-N 0 3 277.408 3.637 20 10 CHCDHN CC[N@H+](CCc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001207517440 1133812181 /nfs/dbraw/zinc/81/21/81/1133812181.db2.gz QQDXJLSHCVGSLY-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN CC[N@@H+](CCc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001207517440 1133812185 /nfs/dbraw/zinc/81/21/85/1133812185.db2.gz QQDXJLSHCVGSLY-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCCc1cccc(F)c1)CC2 ZINC001207604656 1133827487 /nfs/dbraw/zinc/82/74/87/1133827487.db2.gz WACVHTVLFKNLKV-UHFFFAOYSA-N 0 3 285.362 3.522 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCCc1cccc(F)c1)CC2 ZINC001207604656 1133827494 /nfs/dbraw/zinc/82/74/94/1133827494.db2.gz WACVHTVLFKNLKV-UHFFFAOYSA-N 0 3 285.362 3.522 20 10 CHCDHN C[C@H](C[N@@H+]1CCc2cccc([O-])c2C1)c1ccccc1 ZINC001207911532 1133860599 /nfs/dbraw/zinc/86/05/99/1133860599.db2.gz DJYXSHFLPSSOJY-CQSZACIVSA-N 0 3 267.372 3.554 20 10 CHCDHN C[C@H](C[N@H+]1CCc2cccc([O-])c2C1)c1ccccc1 ZINC001207911532 1133860607 /nfs/dbraw/zinc/86/06/07/1133860607.db2.gz DJYXSHFLPSSOJY-CQSZACIVSA-N 0 3 267.372 3.554 20 10 CHCDHN Cc1ccc(C)n1-c1ccc(CN2CCSCC2)cc1 ZINC001209516971 1134033301 /nfs/dbraw/zinc/03/33/01/1134033301.db2.gz VAJQRGGWSUGBAU-UHFFFAOYSA-N 0 3 286.444 3.643 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000316830240 1135169053 /nfs/dbraw/zinc/16/90/53/1135169053.db2.gz RVFHFZKHYXGQQW-DZKIICNBSA-N 0 3 298.430 3.679 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1[O-] ZINC000020147847 171035247 /nfs/dbraw/zinc/03/52/47/171035247.db2.gz KFKFKPMWWUOILU-NWDGAFQWSA-N 0 3 259.324 3.943 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000020204532 171069715 /nfs/dbraw/zinc/06/97/15/171069715.db2.gz IPDRUEJVNGDUIK-IAQYHMDHSA-N 0 3 287.359 3.722 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(F)c1)c1ccccc1[O-] ZINC000020473376 171217195 /nfs/dbraw/zinc/21/71/95/171217195.db2.gz NLUQIZXRCZUQQS-OAHLLOKOSA-N 0 3 259.324 3.772 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000035628709 172308327 /nfs/dbraw/zinc/30/83/27/172308327.db2.gz DUZBBNITNDGOQS-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN CC[C@@H]([NH2+]CCCCNc1ccccn1)c1ccccc1[O-] ZINC000155601175 261104818 /nfs/dbraw/zinc/10/48/18/261104818.db2.gz BAKGDJQYUMJCGT-MRXNPFEDSA-N 0 3 299.418 3.720 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccccc1[O-] ZINC000156287175 261119168 /nfs/dbraw/zinc/11/91/68/261119168.db2.gz BYCSHMGUQXYWCC-MRXNPFEDSA-N 0 3 291.435 3.766 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1ccccc1[O-] ZINC000156698709 261129712 /nfs/dbraw/zinc/12/97/12/261129712.db2.gz SPKGIEXBRQVYSD-UWWQBHOKSA-N 0 3 291.435 3.884 20 10 CHCDHN CC[C@@H](N[C@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000158521880 261166456 /nfs/dbraw/zinc/16/64/56/261166456.db2.gz MDNDANHTOKLQGS-RDTXWAMCSA-N 0 3 283.419 3.950 20 10 CHCDHN COc1ccc([O-])c(C[N@H+](C)[C@H](C)c2ccccc2)c1 ZINC000179596752 261801643 /nfs/dbraw/zinc/80/16/43/261801643.db2.gz NDFPWGQXLARNOA-CYBMUJFWSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](C)c2ccccc2)c1 ZINC000179596752 261801644 /nfs/dbraw/zinc/80/16/44/261801644.db2.gz NDFPWGQXLARNOA-CYBMUJFWSA-N 0 3 271.360 3.594 20 10 CHCDHN Cc1cccc(CNC2(c3nccs3)CCCC2)c1O ZINC000182220013 261929430 /nfs/dbraw/zinc/92/94/30/261929430.db2.gz PRZBEDOQPPMLGO-UHFFFAOYSA-N 0 3 288.416 3.716 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000183985239 262003970 /nfs/dbraw/zinc/00/39/70/262003970.db2.gz BHOFLUVAFSXAAA-GJZGRUSLSA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000183985262 262003988 /nfs/dbraw/zinc/00/39/88/262003988.db2.gz BHOFLUVAFSXAAA-HUUCEWRRSA-N 0 3 277.408 3.701 20 10 CHCDHN C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000184000338 262004527 /nfs/dbraw/zinc/00/45/27/262004527.db2.gz XFCHLLYBMCCEKR-TZMCWYRMSA-N 0 3 281.371 3.531 20 10 CHCDHN C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000184000289 262004780 /nfs/dbraw/zinc/00/47/80/262004780.db2.gz XFCHLLYBMCCEKR-JSGCOSHPSA-N 0 3 281.371 3.531 20 10 CHCDHN C[C@H](NCc1ccoc1)c1cc2c(cc1O)CCCC2 ZINC000185106755 262041898 /nfs/dbraw/zinc/04/18/98/262041898.db2.gz HPFLVAXMGADEBL-LBPRGKRZSA-N 0 3 271.360 3.715 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c([O-])c1 ZINC000185120243 262042983 /nfs/dbraw/zinc/04/29/83/262042983.db2.gz SLPVOQZRELCGNB-ZIAGYGMSSA-N 0 3 285.387 3.605 20 10 CHCDHN COc1cccc(CNCc2ccc(C(F)F)cc2)c1O ZINC000185172421 262044445 /nfs/dbraw/zinc/04/44/45/262044445.db2.gz CLXOHQVDDJBUDZ-UHFFFAOYSA-N 0 3 293.313 3.628 20 10 CHCDHN COc1cccc(C[NH2+]Cc2ccc(C(F)F)cc2)c1[O-] ZINC000185172421 262044447 /nfs/dbraw/zinc/04/44/47/262044447.db2.gz CLXOHQVDDJBUDZ-UHFFFAOYSA-N 0 3 293.313 3.628 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCCNc2ccccn2)c1 ZINC000185325398 262050818 /nfs/dbraw/zinc/05/08/18/262050818.db2.gz PRXFICFHYRKVGX-HNNXBMFYSA-N 0 3 299.418 3.639 20 10 CHCDHN COc1cc(F)cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000186217124 262084810 /nfs/dbraw/zinc/08/48/10/262084810.db2.gz YQJVBEOALFYJRJ-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000186777912 262109672 /nfs/dbraw/zinc/10/96/72/262109672.db2.gz QCKUMRXRJGJUBK-DGCLKSJQSA-N 0 3 290.432 3.920 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000186529544 262316214 /nfs/dbraw/zinc/31/62/14/262316214.db2.gz ADNJQLKBDLHHRS-CQSZACIVSA-N 0 3 265.397 3.556 20 10 CHCDHN CCn1cc([C@@H](C)NCc2c(C)c3ccccc3n2C)cn1 ZINC000359008179 266522281 /nfs/dbraw/zinc/52/22/81/266522281.db2.gz WDBCZQYKHKYBHR-CQSZACIVSA-N 0 3 296.418 3.554 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000371870203 267475509 /nfs/dbraw/zinc/47/55/09/267475509.db2.gz OCKZUCCVJNIPNW-SDNTUTLCSA-N 0 3 289.419 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])c1ccncc1 ZINC000185540919 327840478 /nfs/dbraw/zinc/84/04/78/327840478.db2.gz WDFDXUUCWFLESV-CJNGLKHVSA-N 0 3 270.376 3.898 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCSC(C)(C)C)c1 ZINC000273345733 327907669 /nfs/dbraw/zinc/90/76/69/327907669.db2.gz APIISKUCBPBDLD-NSHDSACASA-N 0 3 283.437 3.583 20 10 CHCDHN CSCc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000285508502 328247890 /nfs/dbraw/zinc/24/78/90/328247890.db2.gz NWENLPANTDTXTL-UHFFFAOYSA-N 0 3 273.401 3.545 20 10 CHCDHN C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1[O-] ZINC000360713120 328910554 /nfs/dbraw/zinc/91/05/54/328910554.db2.gz NOEMKSMJRSDDEM-AWEZNQCLSA-N 0 3 289.419 3.782 20 10 CHCDHN Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000189374397 329380374 /nfs/dbraw/zinc/38/03/74/329380374.db2.gz NSPDAFIFBCUCKE-XJKSGUPXSA-N 0 3 283.371 3.875 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000527975904 330302010 /nfs/dbraw/zinc/30/20/10/330302010.db2.gz BKCMGXZARXWJII-ZIAGYGMSSA-N 0 3 275.392 3.798 20 10 CHCDHN Oc1ccccc1CNCc1ccc(CSC(F)F)o1 ZINC000134236589 334085185 /nfs/dbraw/zinc/08/51/85/334085185.db2.gz GIHCGIVEOQBMBT-UHFFFAOYSA-N 0 3 299.342 3.731 20 10 CHCDHN CCOCc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295861520 520215324 /nfs/dbraw/zinc/21/53/24/520215324.db2.gz GOAWMUKKUZCLAF-QGZVFWFLSA-N 0 3 297.398 3.706 20 10 CHCDHN CCO[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000296584085 520312923 /nfs/dbraw/zinc/31/29/23/520312923.db2.gz WGSHXXYLUKZNAW-WMZOPIPTSA-N 0 3 297.398 3.747 20 10 CHCDHN CCOc1ccc([O-])c(C[NH2+]C(C)(C)c2ccccc2)c1 ZINC000263685400 521148974 /nfs/dbraw/zinc/14/89/74/521148974.db2.gz NLEQJHHAEVAXPR-UHFFFAOYSA-N 0 3 285.387 3.816 20 10 CHCDHN CCOc1cccc(C[NH+](C2CCC2)C2CCC2)c1[O-] ZINC000292856312 521332576 /nfs/dbraw/zinc/33/25/76/521332576.db2.gz UTXYLGCXTLEUQJ-UHFFFAOYSA-N 0 3 275.392 3.698 20 10 CHCDHN COCC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccco1 ZINC000273391116 521976947 /nfs/dbraw/zinc/97/69/47/521976947.db2.gz DNDKQVORCMZDNW-RISCZKNCSA-N 0 3 293.338 3.553 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(C)cc1[O-] ZINC000280069713 522568886 /nfs/dbraw/zinc/56/88/86/522568886.db2.gz KYEJNHZGBZLPSG-HNNXBMFYSA-N 0 3 279.424 3.540 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000280282065 522687701 /nfs/dbraw/zinc/68/77/01/522687701.db2.gz YOJYHPGKPFGZJH-BBRMVZONSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(C)cc1[O-] ZINC000280270946 522698966 /nfs/dbraw/zinc/69/89/66/522698966.db2.gz XWYAPMVQVFOAPL-LRDDRELGSA-N 0 3 287.407 3.544 20 10 CHCDHN C[N@H+](CCCCCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000279436155 522731192 /nfs/dbraw/zinc/73/11/92/522731192.db2.gz OPXJNWRSSASBDI-UHFFFAOYSA-N 0 3 299.414 3.654 20 10 CHCDHN C[N@@H+](CCCCCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000279436155 522731201 /nfs/dbraw/zinc/73/12/01/522731201.db2.gz OPXJNWRSSASBDI-UHFFFAOYSA-N 0 3 299.414 3.654 20 10 CHCDHN CC[C@@H]([NH2+]CCCc1nccs1)c1ccc(C)cc1[O-] ZINC000280142187 522830905 /nfs/dbraw/zinc/83/09/05/522830905.db2.gz PRPYOVMPZOUGNV-CQSZACIVSA-N 0 3 290.432 3.831 20 10 CHCDHN COc1cccc([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000020146072 524153064 /nfs/dbraw/zinc/15/30/64/524153064.db2.gz UHBRIOKLECCXTI-AWEZNQCLSA-N 0 3 284.403 3.612 20 10 CHCDHN C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037140279 524234684 /nfs/dbraw/zinc/23/46/84/524234684.db2.gz KVFOKGGRXHSFIB-ZIAGYGMSSA-N 0 3 285.387 3.770 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCc2ccco2)c1 ZINC000020144911 524773599 /nfs/dbraw/zinc/77/35/99/524773599.db2.gz PCHZJVJHVAHTCG-OLZOCXBDSA-N 0 3 289.375 3.666 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000094618477 525163275 /nfs/dbraw/zinc/16/32/75/525163275.db2.gz ZGOJSUWESJRWPD-VXGBXAGGSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617623 525168185 /nfs/dbraw/zinc/16/81/85/525168185.db2.gz AILXRVSEAAQVPU-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1C ZINC000127445804 525316678 /nfs/dbraw/zinc/31/66/78/525316678.db2.gz UXAGYJRFKCGBCP-INIZCTEOSA-N 0 3 270.376 3.674 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1C ZINC000127445804 525316690 /nfs/dbraw/zinc/31/66/90/525316690.db2.gz UXAGYJRFKCGBCP-INIZCTEOSA-N 0 3 270.376 3.674 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CCc2ccc(O)cc2)c1 ZINC000071407905 525351286 /nfs/dbraw/zinc/35/12/86/525351286.db2.gz XXUWXZFAPJRCOR-CQSZACIVSA-N 0 3 285.387 3.517 20 10 CHCDHN C[C@@H](N[C@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000037228908 525664792 /nfs/dbraw/zinc/66/47/92/525664792.db2.gz XJJFHFZFAHXKGX-ZIAGYGMSSA-N 0 3 269.392 3.559 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000281074188 525727037 /nfs/dbraw/zinc/72/70/37/525727037.db2.gz IOIMNMCHAAOMLS-VXGBXAGGSA-N 0 3 269.335 3.787 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c([O-])c1 ZINC000037786565 525917193 /nfs/dbraw/zinc/91/71/93/525917193.db2.gz LLBRBDSYRVNZLW-AWEZNQCLSA-N 0 3 290.451 3.614 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COc3ccccc32)c([O-])c1 ZINC000290459471 525925475 /nfs/dbraw/zinc/92/54/75/525925475.db2.gz WLVYRWRVRVUUMM-KBPBESRZSA-N 0 3 283.371 3.527 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000263717966 526338339 /nfs/dbraw/zinc/33/83/39/526338339.db2.gz VOKGZEMVFJKBAP-OAHLLOKOSA-N 0 3 297.398 3.575 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCSC1 ZINC000266174656 526338795 /nfs/dbraw/zinc/33/87/95/526338795.db2.gz SNHCKUOMVDTELB-INIZCTEOSA-N 0 3 285.412 3.654 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC(C)(C)C2)c1[O-] ZINC000169092679 1119493812 /nfs/dbraw/zinc/49/38/12/1119493812.db2.gz HMSNBASJPLRKQW-LBPRGKRZSA-N 0 3 283.799 3.723 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000179556853 1120249927 /nfs/dbraw/zinc/24/99/27/1120249927.db2.gz GYEVPEWHWUWEDZ-UHFFFAOYSA-N 0 3 259.374 3.618 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000179556853 1120249931 /nfs/dbraw/zinc/24/99/31/1120249931.db2.gz GYEVPEWHWUWEDZ-UHFFFAOYSA-N 0 3 259.374 3.618 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000775677155 1122901034 /nfs/dbraw/zinc/90/10/34/1122901034.db2.gz HYIOATRCGSAIDK-CQSZACIVSA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000775677155 1122901038 /nfs/dbraw/zinc/90/10/38/1122901038.db2.gz HYIOATRCGSAIDK-CQSZACIVSA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1[O-] ZINC000775716551 1122921329 /nfs/dbraw/zinc/92/13/29/1122921329.db2.gz XQOWBYHXVDIISE-MWLCHTKSSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1[O-] ZINC000775716551 1122921331 /nfs/dbraw/zinc/92/13/31/1122921331.db2.gz XQOWBYHXVDIISE-MWLCHTKSSA-N 0 3 253.773 3.584 20 10 CHCDHN C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757140 1125075074 /nfs/dbraw/zinc/07/50/74/1125075074.db2.gz IUYDFVRXPOUCER-UWVGGRQHSA-N 0 3 261.287 3.774 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCCCC23CC3)c1[O-] ZINC001233290074 1132597837 /nfs/dbraw/zinc/59/78/37/1132597837.db2.gz HATNAHNWXZKFLB-UHFFFAOYSA-N 0 3 281.783 3.573 20 10 CHCDHN CCc1ccc(C[N@@H+](CC)Cc2ccccc2[O-])o1 ZINC001204394710 1133442635 /nfs/dbraw/zinc/44/26/35/1133442635.db2.gz JKQRJEDVOSSMMP-UHFFFAOYSA-N 0 3 259.349 3.570 20 10 CHCDHN CCc1ccc(C[N@H+](CC)Cc2ccccc2[O-])o1 ZINC001204394710 1133442640 /nfs/dbraw/zinc/44/26/40/1133442640.db2.gz JKQRJEDVOSSMMP-UHFFFAOYSA-N 0 3 259.349 3.570 20 10 CHCDHN CCc1ccc(CN(CC)Cc2ccccc2O)o1 ZINC001204394710 1133442645 /nfs/dbraw/zinc/44/26/45/1133442645.db2.gz JKQRJEDVOSSMMP-UHFFFAOYSA-N 0 3 259.349 3.570 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000134482187 1125563583 /nfs/dbraw/zinc/56/35/83/1125563583.db2.gz RMVSPYMRWKXRHG-UHFFFAOYSA-N 0 3 271.335 3.567 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)C(C)(C)C)c1[O-] ZINC000388756731 1125679370 /nfs/dbraw/zinc/67/93/70/1125679370.db2.gz NELQZAHILXZNMF-UHFFFAOYSA-N 0 3 285.815 3.969 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccc(C)cc1[O-] ZINC000903331432 1130158061 /nfs/dbraw/zinc/15/80/61/1130158061.db2.gz NKVFDZSRPHRVEP-GXTWGEPZSA-N 0 3 265.397 3.555 20 10 CHCDHN Cc1cccc(CNCc2ccccc2OC(F)F)c1O ZINC000158091431 1126745621 /nfs/dbraw/zinc/74/56/21/1126745621.db2.gz TUUWZJFDJANKFQ-UHFFFAOYSA-N 0 3 293.313 3.592 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1ccccc1 ZINC000183605550 1126889429 /nfs/dbraw/zinc/88/94/29/1126889429.db2.gz UHGRBRQGDOXHSO-KBPBESRZSA-N 0 3 271.360 3.510 20 10 CHCDHN Cc1cc(Cl)cc(CN(C)[C@H](C)c2cccnc2)c1O ZINC000183729041 1126892063 /nfs/dbraw/zinc/89/20/63/1126892063.db2.gz PVZPJAIABSPAEI-GFCCVEGCSA-N 0 3 290.794 3.942 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2cccnc2)c1[O-] ZINC000183729041 1126892066 /nfs/dbraw/zinc/89/20/66/1126892066.db2.gz PVZPJAIABSPAEI-GFCCVEGCSA-N 0 3 290.794 3.942 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2cccnc2)c1[O-] ZINC000183729041 1126892069 /nfs/dbraw/zinc/89/20/69/1126892069.db2.gz PVZPJAIABSPAEI-GFCCVEGCSA-N 0 3 290.794 3.942 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cn3c(cccc3C)n2)c(O)c1 ZINC000185412644 1126899335 /nfs/dbraw/zinc/89/93/35/1126899335.db2.gz WXTIPJZLIAJMKG-CQSZACIVSA-N 0 3 295.386 3.508 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000187927077 1126917697 /nfs/dbraw/zinc/91/76/97/1126917697.db2.gz MGJOUWPESOIRTI-DNVCBOLYSA-N 0 3 299.414 3.649 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1[O-] ZINC000271669736 1127096726 /nfs/dbraw/zinc/09/67/26/1127096726.db2.gz MYOAYXJYXLVLKM-BZNIZROVSA-N 0 3 271.335 3.869 20 10 CHCDHN CCOc1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC001237046224 1131041580 /nfs/dbraw/zinc/04/15/80/1131041580.db2.gz ZSMBPUUPUGTCNI-STQMWFEESA-N 0 3 263.381 3.554 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1C2CCC1CC2 ZINC001237140310 1131057221 /nfs/dbraw/zinc/05/72/21/1131057221.db2.gz JBNGNIUFCFQRDG-UHFFFAOYSA-N 0 3 271.282 3.538 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CF)C2)c1[O-] ZINC001237687528 1131128015 /nfs/dbraw/zinc/12/80/15/1131128015.db2.gz KUHQTJPIAZYQIB-LLVKDONJSA-N 0 3 271.763 3.536 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CF)C2)c1[O-] ZINC001237687528 1131128019 /nfs/dbraw/zinc/12/80/19/1131128019.db2.gz KUHQTJPIAZYQIB-LLVKDONJSA-N 0 3 271.763 3.536 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1OC ZINC000226584464 1127412305 /nfs/dbraw/zinc/41/23/05/1127412305.db2.gz SLQJJROKMVTWJV-HNNXBMFYSA-N 0 3 289.350 3.781 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000226589366 1127412745 /nfs/dbraw/zinc/41/27/45/1127412745.db2.gz AWGGSNHKFUWDTE-UHFFFAOYSA-N 0 3 283.705 3.614 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCC(C)C)c1[O-] ZINC000228668980 1127583019 /nfs/dbraw/zinc/58/30/19/1127583019.db2.gz OGGFJBSBRBFROU-NSHDSACASA-N 0 3 285.815 3.969 20 10 CHCDHN CCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCOCC1 ZINC000294558957 1127583116 /nfs/dbraw/zinc/58/31/16/1127583116.db2.gz BHCNDNXCBGBJAI-HNNXBMFYSA-N 0 3 291.435 3.866 20 10 CHCDHN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)cs1 ZINC000294949267 1127610264 /nfs/dbraw/zinc/61/02/64/1127610264.db2.gz FFWFYPBWHYGWPX-UHFFFAOYSA-N 0 3 278.396 3.551 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000295783845 1127652648 /nfs/dbraw/zinc/65/26/48/1127652648.db2.gz ADELAVWGYDJSFU-MFKMUULPSA-N 0 3 288.416 3.538 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c(C)c1 ZINC000296129256 1127663310 /nfs/dbraw/zinc/66/33/10/1127663310.db2.gz VQLYDEIKDWQHOY-INIZCTEOSA-N 0 3 267.372 3.786 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)CC2 ZINC000296423004 1127671592 /nfs/dbraw/zinc/67/15/92/1127671592.db2.gz LNVKOIUQONEBCY-WCQYABFASA-N 0 3 281.346 3.795 20 10 CHCDHN CCO[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000296584082 1127677039 /nfs/dbraw/zinc/67/70/39/1127677039.db2.gz WGSHXXYLUKZNAW-AEFFLSMTSA-N 0 3 297.398 3.747 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c1[O-] ZINC000230407286 1127751911 /nfs/dbraw/zinc/75/19/11/1127751911.db2.gz FTIURANCXNKSLK-WDEREUQCSA-N 0 3 283.799 3.580 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@@H]2C)c1[O-] ZINC000230659102 1127771768 /nfs/dbraw/zinc/77/17/68/1127771768.db2.gz KPIBWMDBRLKETC-WDEREUQCSA-N 0 3 283.799 3.580 20 10 CHCDHN CCC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000152486344 1128128383 /nfs/dbraw/zinc/12/83/83/1128128383.db2.gz YBWVWEUMHDGABE-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN CCC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000152486344 1128128384 /nfs/dbraw/zinc/12/83/84/1128128384.db2.gz YBWVWEUMHDGABE-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001168459208 1128141901 /nfs/dbraw/zinc/14/19/01/1128141901.db2.gz KUPXSGFSYWBVGU-OLZOCXBDSA-N 0 3 273.351 3.813 20 10 CHCDHN Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582435 1128196055 /nfs/dbraw/zinc/19/60/55/1128196055.db2.gz XSFQXFKCCVWCSD-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c([O-])c1 ZINC000926917656 1128202467 /nfs/dbraw/zinc/20/24/67/1128202467.db2.gz CQNDVIYWGSNZDO-KBPBESRZSA-N 0 3 297.398 3.875 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c([O-])c1 ZINC000926917657 1128202763 /nfs/dbraw/zinc/20/27/63/1128202763.db2.gz CQNDVIYWGSNZDO-KGLIPLIRSA-N 0 3 297.398 3.875 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccccc1[O-] ZINC000927059714 1128212364 /nfs/dbraw/zinc/21/23/64/1128212364.db2.gz LNEUGJUJQYVZDS-SWLSCSKDSA-N 0 3 268.360 3.515 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(C)cc1[O-] ZINC000927089507 1128216498 /nfs/dbraw/zinc/21/64/98/1128216498.db2.gz CAGXEMUAXSNVGQ-KRWDZBQOSA-N 0 3 297.398 3.876 20 10 CHCDHN C[C@@H]([NH2+]C[C@@]1(c2ccccc2)CCCO1)c1ccccc1[O-] ZINC000927114176 1128218931 /nfs/dbraw/zinc/21/89/31/1128218931.db2.gz CSSUIOCKCLRWKO-DNVCBOLYSA-N 0 3 297.398 3.749 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccc(F)nc1 ZINC000929753431 1128285367 /nfs/dbraw/zinc/28/53/67/1128285367.db2.gz QAAHBQVOGLGJCX-CYBMUJFWSA-N 0 3 288.366 3.900 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccc(F)nc1 ZINC000929753431 1128285370 /nfs/dbraw/zinc/28/53/70/1128285370.db2.gz QAAHBQVOGLGJCX-CYBMUJFWSA-N 0 3 288.366 3.900 20 10 CHCDHN Cc1cc(O)c(CN2CCOC(C)(C)[C@@H]2C)cc1C(C)C ZINC000763212649 1128377719 /nfs/dbraw/zinc/37/77/19/1128377719.db2.gz OYUPSQUNYQTDLC-AWEZNQCLSA-N 0 3 291.435 3.823 20 10 CHCDHN CC[C@H]([NH2+]CCc1cccc(OC)c1)c1ccccc1[O-] ZINC000155180036 1128663910 /nfs/dbraw/zinc/66/39/10/1128663910.db2.gz IYYQJDCPQVFVJW-KRWDZBQOSA-N 0 3 285.387 3.684 20 10 CHCDHN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779020258 1128683494 /nfs/dbraw/zinc/68/34/94/1128683494.db2.gz LBGSTMVPFPJIGN-DZGCQCFKSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779020258 1128683498 /nfs/dbraw/zinc/68/34/98/1128683498.db2.gz LBGSTMVPFPJIGN-DZGCQCFKSA-N 0 3 285.362 3.909 20 10 CHCDHN CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000228793585 1117770588 /nfs/dbraw/zinc/77/05/88/1117770588.db2.gz QKKXJWCLJCVODL-RWMBFGLXSA-N 0 3 265.422 3.717 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)C2CCC2)c([O-])c1 ZINC000325009454 1117782118 /nfs/dbraw/zinc/78/21/18/1117782118.db2.gz CEFXDSTWFCIBTE-SJCJKPOMSA-N 0 3 259.393 3.930 20 10 CHCDHN CCc1cnc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000185583659 1117853031 /nfs/dbraw/zinc/85/30/31/1117853031.db2.gz SLHBXPMPILMVAO-GFCCVEGCSA-N 0 3 290.432 3.613 20 10 CHCDHN CCc1cnc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000185583642 1117853126 /nfs/dbraw/zinc/85/31/26/1117853126.db2.gz SLHBXPMPILMVAO-LBPRGKRZSA-N 0 3 290.432 3.613 20 10 CHCDHN CCO[C@@H](CC[NH2+][C@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000185625698 1117859697 /nfs/dbraw/zinc/85/96/97/1117859697.db2.gz NQLAJFCRNSUABY-PBHICJAKSA-N 0 3 279.424 3.802 20 10 CHCDHN CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])C1CCCC1 ZINC000692981382 1117959463 /nfs/dbraw/zinc/95/94/63/1117959463.db2.gz UWAGZFCHNLELHQ-SUMWQHHRSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000179584519 1128749005 /nfs/dbraw/zinc/74/90/05/1128749005.db2.gz DKAZEJLOWUVRGO-GUYCJALGSA-N 0 3 253.345 3.585 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000179584519 1128749007 /nfs/dbraw/zinc/74/90/07/1128749007.db2.gz DKAZEJLOWUVRGO-GUYCJALGSA-N 0 3 253.345 3.585 20 10 CHCDHN c1cc2c(o1)CCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921527878 1118171119 /nfs/dbraw/zinc/17/11/19/1118171119.db2.gz PIRKSYIWXLBBHH-MRXNPFEDSA-N 0 3 283.371 3.772 20 10 CHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC(C)(C)O1 ZINC000068462366 1118174264 /nfs/dbraw/zinc/17/42/64/1118174264.db2.gz FPWFSFMGJVHHCU-ZDUSSCGKSA-N 0 3 285.387 3.545 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC(C)(C)O1 ZINC000068462366 1118174267 /nfs/dbraw/zinc/17/42/67/1118174267.db2.gz FPWFSFMGJVHHCU-ZDUSSCGKSA-N 0 3 285.387 3.545 20 10 CHCDHN C[C@H]([NH2+]CCc1ccccc1Cl)c1ccccc1[O-] ZINC000179891316 1128764152 /nfs/dbraw/zinc/76/41/52/1128764152.db2.gz LYIWYJVSERZDHE-LBPRGKRZSA-N 0 3 275.779 3.939 20 10 CHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000179937322 1128766972 /nfs/dbraw/zinc/76/69/72/1128766972.db2.gz MAJFWUUSHKCKJV-ZDUSSCGKSA-N 0 3 298.361 3.986 20 10 CHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000179937322 1128766974 /nfs/dbraw/zinc/76/69/74/1128766974.db2.gz MAJFWUUSHKCKJV-ZDUSSCGKSA-N 0 3 298.361 3.986 20 10 CHCDHN Cc1cccc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000180021712 1128772659 /nfs/dbraw/zinc/77/26/59/1128772659.db2.gz LVPSTXSRHAIHQG-YJBOKZPZSA-N 0 3 297.398 3.663 20 10 CHCDHN Cc1cc(C[N@@H+](C)Cc2ccccc2[O-])cc(C)c1F ZINC001143381711 1118516445 /nfs/dbraw/zinc/51/64/45/1118516445.db2.gz LNEZDFZIDHACAZ-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1cc(C[N@H+](C)Cc2ccccc2[O-])cc(C)c1F ZINC001143381711 1118516449 /nfs/dbraw/zinc/51/64/49/1118516449.db2.gz LNEZDFZIDHACAZ-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cnc(F)cc1C ZINC000891853468 1118803487 /nfs/dbraw/zinc/80/34/87/1118803487.db2.gz NVZQKAIZCAYSSX-UHFFFAOYSA-N 0 3 288.366 3.647 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cnc(F)cc1C ZINC000891853468 1118803494 /nfs/dbraw/zinc/80/34/94/1118803494.db2.gz NVZQKAIZCAYSSX-UHFFFAOYSA-N 0 3 288.366 3.647 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccncc1 ZINC000183529163 1118983014 /nfs/dbraw/zinc/98/30/14/1118983014.db2.gz ZHMKWWMJOQPOBC-DOMZBBRYSA-N 0 3 256.349 3.589 20 10 CHCDHN CC[C@@H](NCc1cc(OC)ccc1O)c1ccccc1F ZINC000180900470 1128819143 /nfs/dbraw/zinc/81/91/43/1128819143.db2.gz NQFKHELCIKWRIC-MRXNPFEDSA-N 0 3 289.350 3.781 20 10 CHCDHN C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000049553092 1119103978 /nfs/dbraw/zinc/10/39/78/1119103978.db2.gz MKKGDMODJVIAGS-ZIAGYGMSSA-N 0 3 286.419 3.536 20 10 CHCDHN CCCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000226563847 1119157863 /nfs/dbraw/zinc/15/78/63/1119157863.db2.gz CAETXRAESKVQSC-UHFFFAOYSA-N 0 3 251.345 3.543 20 10 CHCDHN CC[C@H]([NH2+]CCCC(F)(F)F)c1ccccc1[O-] ZINC000148647559 1119375715 /nfs/dbraw/zinc/37/57/15/1119375715.db2.gz OVANGZRELOZRBI-NSHDSACASA-N 0 3 261.287 3.775 20 10 CHCDHN COc1ccccc1CN(Cc1ccccc1O)C1CC1 ZINC000179556820 1119751415 /nfs/dbraw/zinc/75/14/15/1119751415.db2.gz WONKQPBQWZWQIH-UHFFFAOYSA-N 0 3 283.371 3.565 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccoc1 ZINC000178192033 1119944441 /nfs/dbraw/zinc/94/44/41/1119944441.db2.gz NGCHYDZXMLZQRI-CYBMUJFWSA-N 0 3 270.376 3.513 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1[O-] ZINC000186462886 1120204323 /nfs/dbraw/zinc/20/43/23/1120204323.db2.gz YOVIRVBKVXFVSK-CYBMUJFWSA-N 0 3 278.355 3.791 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3ccccc3C1)CC2 ZINC000314450195 1120210650 /nfs/dbraw/zinc/21/06/50/1120210650.db2.gz DOEXVVPKXARMAS-SJORKVTESA-N 0 3 279.383 3.527 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCC[C@H]2C(C)C)c1[O-] ZINC000395873720 1120302728 /nfs/dbraw/zinc/30/27/28/1120302728.db2.gz ZUTNQXIIZLDZEO-HNNXBMFYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCC[C@H]2C(C)C)c1[O-] ZINC000395873720 1120302733 /nfs/dbraw/zinc/30/27/33/1120302733.db2.gz ZUTNQXIIZLDZEO-HNNXBMFYSA-N 0 3 277.408 3.801 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000092327740 1120357213 /nfs/dbraw/zinc/35/72/13/1120357213.db2.gz GBFHXWGIOKBZDM-WDEREUQCSA-N 0 3 274.364 3.717 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCOC2CCCC2)c2c1c(F)ccc2[O-] ZINC000756491569 1120382843 /nfs/dbraw/zinc/38/28/43/1120382843.db2.gz VXBSYPOTCMNUQN-RISCZKNCSA-N 0 3 293.382 3.628 20 10 CHCDHN CC[C@H]([NH2+]CC1(OC)CCCCC1)c1ccccc1[O-] ZINC000186505228 1120400078 /nfs/dbraw/zinc/40/00/78/1120400078.db2.gz SCTRNBGTYNCOLP-HNNXBMFYSA-N 0 3 277.408 3.782 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1ccccc1[O-] ZINC000692692686 1120488249 /nfs/dbraw/zinc/48/82/49/1120488249.db2.gz VFRACNDNDPZGNR-ZFWWWQNUSA-N 0 3 270.376 3.632 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000020092185 1120582848 /nfs/dbraw/zinc/58/28/48/1120582848.db2.gz FOWNIFNSHZENLO-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(F)ccc1[O-] ZINC000195148498 1120615700 /nfs/dbraw/zinc/61/57/00/1120615700.db2.gz WSEFSIDWPWCLSZ-GFCCVEGCSA-N 0 3 296.345 3.930 20 10 CHCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000313529981 1120748035 /nfs/dbraw/zinc/74/80/35/1120748035.db2.gz MUEQEGMRLKXXDB-CZUORRHYSA-N 0 3 267.372 3.773 20 10 CHCDHN CCSC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000700815783 1121122840 /nfs/dbraw/zinc/12/28/40/1121122840.db2.gz FLBPMLJRCRPDPF-GFCCVEGCSA-N 0 3 265.422 3.637 20 10 CHCDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000066236444 1121203901 /nfs/dbraw/zinc/20/39/01/1121203901.db2.gz MVFGKDCSALDCTP-OAHLLOKOSA-N 0 3 298.430 3.920 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCCC12CCOCC2)c1ccccc1[O-] ZINC001175419494 1121316968 /nfs/dbraw/zinc/31/69/68/1121316968.db2.gz VPDFFYVNPNPVEB-HUUCEWRRSA-N 0 3 289.419 3.640 20 10 CHCDHN CN(Cc1cc(C(C)(C)C)c[nH]1)Cc1ccccc1O ZINC001249479665 1121384352 /nfs/dbraw/zinc/38/43/52/1121384352.db2.gz MSXGGRPFYRPWLK-UHFFFAOYSA-N 0 3 272.392 3.650 20 10 CHCDHN CCC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])OCC ZINC000705319226 1121396664 /nfs/dbraw/zinc/39/66/64/1121396664.db2.gz XMMMDEOIACUOOH-ZIAGYGMSSA-N 0 3 265.397 3.556 20 10 CHCDHN C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1[O-] ZINC000688455737 1128988069 /nfs/dbraw/zinc/98/80/69/1128988069.db2.gz MPHLIJRSWZVVMP-JTQLQIEISA-N 0 3 255.308 3.621 20 10 CHCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)[C@@H](C)CO1 ZINC001204240069 1121862621 /nfs/dbraw/zinc/86/26/21/1121862621.db2.gz HEPXDGXAIDIVHG-LSDHHAIUSA-N 0 3 298.430 3.515 20 10 CHCDHN CC(C)OCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845899 1121886136 /nfs/dbraw/zinc/88/61/36/1121886136.db2.gz MJUZNNHSEPNHGE-UHFFFAOYSA-N 0 3 277.408 3.562 20 10 CHCDHN CC(C)OCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731845899 1121886148 /nfs/dbraw/zinc/88/61/48/1121886148.db2.gz MJUZNNHSEPNHGE-UHFFFAOYSA-N 0 3 277.408 3.562 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC001180097112 1121944107 /nfs/dbraw/zinc/94/41/07/1121944107.db2.gz BCOIRQFJNGYORO-AWEZNQCLSA-N 0 3 297.398 3.656 20 10 CHCDHN COc1cc(C)c(C[N@H+]2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC001180097112 1121944119 /nfs/dbraw/zinc/94/41/19/1121944119.db2.gz BCOIRQFJNGYORO-AWEZNQCLSA-N 0 3 297.398 3.656 20 10 CHCDHN CCC[C@@]1(C)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001180203260 1121961913 /nfs/dbraw/zinc/96/19/13/1121961913.db2.gz NRXUDIMJMMRWMR-INIZCTEOSA-N 0 3 265.372 3.934 20 10 CHCDHN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001180203260 1121961922 /nfs/dbraw/zinc/96/19/22/1121961922.db2.gz NRXUDIMJMMRWMR-INIZCTEOSA-N 0 3 265.372 3.934 20 10 CHCDHN C[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC000733328296 1121977761 /nfs/dbraw/zinc/97/77/61/1121977761.db2.gz SSFIYIFNYKBKJS-LJQANCHMSA-N 0 3 297.398 3.575 20 10 CHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(c2cccs2)CC1 ZINC001204274401 1121995221 /nfs/dbraw/zinc/99/52/21/1121995221.db2.gz ADAZONBHTRAHTK-UHFFFAOYSA-N 0 3 289.400 3.539 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccccc1[O-] ZINC000774446011 1122165601 /nfs/dbraw/zinc/16/56/01/1122165601.db2.gz SKLBOFBGCQLPHQ-QGZVFWFLSA-N 0 3 296.414 3.907 20 10 CHCDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000271700420 1122171421 /nfs/dbraw/zinc/17/14/21/1122171421.db2.gz TZFIFKJABZNANC-NWDGAFQWSA-N 0 3 286.331 3.712 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000271700420 1122171422 /nfs/dbraw/zinc/17/14/22/1122171422.db2.gz TZFIFKJABZNANC-NWDGAFQWSA-N 0 3 286.331 3.712 20 10 CHCDHN Cc1ccc(C[NH+]2CC([C@@H]3CCC[C@@H](C)C3)C2)c([O-])c1 ZINC001183441909 1122224196 /nfs/dbraw/zinc/22/41/96/1122224196.db2.gz BDDMGHRZCZOZPG-UKRRQHHQSA-N 0 3 273.420 3.959 20 10 CHCDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccccn2)c(O)c1C ZINC000273427563 1122233001 /nfs/dbraw/zinc/23/30/01/1122233001.db2.gz UREUJQODVBPUCE-KBPBESRZSA-N 0 3 270.376 3.816 20 10 CHCDHN CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])CCO1 ZINC000273533193 1122237145 /nfs/dbraw/zinc/23/71/45/1122237145.db2.gz WTPRZZZGXVITOS-NWANDNLSSA-N 0 3 295.398 3.776 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183345814 1129047010 /nfs/dbraw/zinc/04/70/10/1129047010.db2.gz AODRSZYNFYMBQN-MRXNPFEDSA-N 0 3 291.341 3.954 20 10 CHCDHN C[C@@H](NCc1cccc(F)c1F)c1ccccc1O ZINC000775130827 1122432759 /nfs/dbraw/zinc/43/27/59/1122432759.db2.gz PGDCETMGKZWJGH-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN CCc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000775131231 1122436634 /nfs/dbraw/zinc/43/66/34/1122436634.db2.gz UFUWXVQTVGDGKU-CQSZACIVSA-N 0 3 269.388 3.848 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccccc1[O-] ZINC000183438745 1129055028 /nfs/dbraw/zinc/05/50/28/1129055028.db2.gz JDIHTDPETNYSAQ-QWHCGFSZSA-N 0 3 273.351 3.813 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)Cc1ccccc1 ZINC000183506589 1129058466 /nfs/dbraw/zinc/05/84/66/1129058466.db2.gz JRMVWLVLLHTXJL-HOTGVXAUSA-N 0 3 298.430 3.563 20 10 CHCDHN CCc1cccc(C[NH2+]C(C)(C2CC2)C2CC2)c1[O-] ZINC000691854340 1129062587 /nfs/dbraw/zinc/06/25/87/1129062587.db2.gz ACRKZOFCRDJKSB-UHFFFAOYSA-N 0 3 259.393 3.623 20 10 CHCDHN COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000183560026 1129065638 /nfs/dbraw/zinc/06/56/38/1129065638.db2.gz MPTHHTBVZDFVSB-MLGOLLRUSA-N 0 3 283.371 3.739 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)CN1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000775488015 1122616270 /nfs/dbraw/zinc/61/62/70/1122616270.db2.gz GAJMGAVRXNMTHJ-UXLLHSPISA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)CN1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000775488013 1122616927 /nfs/dbraw/zinc/61/69/27/1122616927.db2.gz GAJMGAVRXNMTHJ-INMHGKMJSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000775492758 1122622573 /nfs/dbraw/zinc/62/25/73/1122622573.db2.gz QLVIMIPPUIHBDE-ZOBUZTSGSA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccccc1[O-] ZINC000775497158 1122626741 /nfs/dbraw/zinc/62/67/41/1122626741.db2.gz NQZHASXLBDVMOG-DOTOQJQBSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@@H]([NH2+]CCNc1ccccc1)c1ccccc1[O-] ZINC000775512897 1122635022 /nfs/dbraw/zinc/63/50/22/1122635022.db2.gz RWJRFFHRQHKELG-MRXNPFEDSA-N 0 3 270.376 3.545 20 10 CHCDHN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775582094 1122682083 /nfs/dbraw/zinc/68/20/83/1122682083.db2.gz LMGDGUPCSJMYEZ-NWDGAFQWSA-N 0 3 289.448 3.929 20 10 CHCDHN CC(C)OC1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183627238 1129072625 /nfs/dbraw/zinc/07/26/25/1129072625.db2.gz ULPWRGLQDPNJEL-WLYUNCDWSA-N 0 3 277.408 3.779 20 10 CHCDHN CCC[C@@H](C)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000775642082 1122850286 /nfs/dbraw/zinc/85/02/86/1122850286.db2.gz AIWCGKFZDZKXTQ-NVXWUHKLSA-N 0 3 291.435 3.809 20 10 CHCDHN CCC[C@@H](C)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000775642082 1122850288 /nfs/dbraw/zinc/85/02/88/1122850288.db2.gz AIWCGKFZDZKXTQ-NVXWUHKLSA-N 0 3 291.435 3.809 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCSC(C)(C)C2)c1[O-] ZINC000775707169 1122916386 /nfs/dbraw/zinc/91/63/86/1122916386.db2.gz DUYKLAOLSWJJPK-UHFFFAOYSA-N 0 3 285.840 3.681 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCSC(C)(C)C2)c1[O-] ZINC000775707169 1122916387 /nfs/dbraw/zinc/91/63/87/1122916387.db2.gz DUYKLAOLSWJJPK-UHFFFAOYSA-N 0 3 285.840 3.681 20 10 CHCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C1CCC1 ZINC000775713479 1122919222 /nfs/dbraw/zinc/91/92/22/1122919222.db2.gz VDOJAUGJLFDBRN-UHFFFAOYSA-N 0 3 298.224 3.838 20 10 CHCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C1CCC1 ZINC000775713479 1122919227 /nfs/dbraw/zinc/91/92/27/1122919227.db2.gz VDOJAUGJLFDBRN-UHFFFAOYSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)CCOC(C)(C)C)c1[O-] ZINC000775724825 1122925739 /nfs/dbraw/zinc/92/57/39/1122925739.db2.gz RAIDGNPGISLGID-UHFFFAOYSA-N 0 3 285.815 3.601 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCOC(C)(C)C)c1[O-] ZINC000775724825 1122925743 /nfs/dbraw/zinc/92/57/43/1122925743.db2.gz RAIDGNPGISLGID-UHFFFAOYSA-N 0 3 285.815 3.601 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850510677 1123277718 /nfs/dbraw/zinc/27/77/18/1123277718.db2.gz WEXZPLARJXEVSE-PWSUYJOCSA-N 0 3 296.208 3.832 20 10 CHCDHN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850527626 1123282531 /nfs/dbraw/zinc/28/25/31/1123282531.db2.gz AYPSYUFURNHUMF-MJXNMMHHSA-N 0 3 296.414 3.582 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(C)cc1[O-] ZINC000850530586 1123285095 /nfs/dbraw/zinc/28/50/95/1123285095.db2.gz ZZQQAKACHAVTQC-SCTDSRPQSA-N 0 3 297.398 3.920 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)c2c1c(F)ccc2[O-] ZINC000850531529 1123285342 /nfs/dbraw/zinc/28/53/42/1123285342.db2.gz LGESARSSHVHUPV-ZWNOBZJWSA-N 0 3 275.323 3.505 20 10 CHCDHN CC[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccccc1[O-] ZINC000850550738 1123288690 /nfs/dbraw/zinc/28/86/90/1123288690.db2.gz NUEWZSPLEAXVKM-MRXNPFEDSA-N 0 3 299.418 3.634 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccccc1[O-] ZINC000850543760 1123289297 /nfs/dbraw/zinc/28/92/97/1123289297.db2.gz PNLHBYGTCDTURU-IAGOWNOFSA-N 0 3 283.371 3.826 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCC3(CC3(F)F)CC1)CC2 ZINC000850549358 1123289309 /nfs/dbraw/zinc/28/93/09/1123289309.db2.gz GBSNDZOHNMCLPN-UYJPIKCFSA-N 0 3 293.357 3.937 20 10 CHCDHN CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)c1ccc(C)cc1[O-] ZINC000850583236 1123296083 /nfs/dbraw/zinc/29/60/83/1123296083.db2.gz JYCYHPSEWWHRHB-FNHZYXHNSA-N 0 3 299.414 3.863 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cc(F)cc2cccnc21 ZINC000109772687 1123326585 /nfs/dbraw/zinc/32/65/85/1123326585.db2.gz QYVZVXRRWHUZII-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cc(F)cc2cccnc21 ZINC000109772687 1123326588 /nfs/dbraw/zinc/32/65/88/1123326588.db2.gz QYVZVXRRWHUZII-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN CCCCN(Cc1cc(C)nc(C)n1)Cc1ccccc1O ZINC000852018023 1123392983 /nfs/dbraw/zinc/39/29/83/1123392983.db2.gz IRAASQLDRJYGFO-UHFFFAOYSA-N 0 3 299.418 3.601 20 10 CHCDHN CCCC[N@H+](Cc1cc(C)nc(C)n1)Cc1ccccc1[O-] ZINC000852018023 1123392986 /nfs/dbraw/zinc/39/29/86/1123392986.db2.gz IRAASQLDRJYGFO-UHFFFAOYSA-N 0 3 299.418 3.601 20 10 CHCDHN CCCC[N@@H+](Cc1cc(C)nc(C)n1)Cc1ccccc1[O-] ZINC000852018023 1123392991 /nfs/dbraw/zinc/39/29/91/1123392991.db2.gz IRAASQLDRJYGFO-UHFFFAOYSA-N 0 3 299.418 3.601 20 10 CHCDHN CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000783511467 1123407652 /nfs/dbraw/zinc/40/76/52/1123407652.db2.gz ZPCQXKSGOXYMSD-OLZOCXBDSA-N 0 3 273.380 3.581 20 10 CHCDHN CC[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCS1 ZINC001204769373 1123425014 /nfs/dbraw/zinc/42/50/14/1123425014.db2.gz SZRHVJWAALEWMG-RTRPANQVSA-N 0 3 290.476 3.593 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)c([O-])c1 ZINC000854226889 1123478215 /nfs/dbraw/zinc/47/82/15/1123478215.db2.gz SBDJWBSGYQDJMN-PXAZEXFGSA-N 0 3 282.387 3.621 20 10 CHCDHN CCSc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000895526270 1123487777 /nfs/dbraw/zinc/48/77/77/1123487777.db2.gz KNMGGODANSCWKA-UHFFFAOYSA-N 0 3 291.391 3.933 20 10 CHCDHN CCc1cccc(C[NH2+]CC(C)(C)CC(F)F)c1[O-] ZINC000895535026 1123488454 /nfs/dbraw/zinc/48/84/54/1123488454.db2.gz NDYVZNUYLNSVOF-UHFFFAOYSA-N 0 3 271.351 3.726 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CCCC1(F)F ZINC000895546038 1123491095 /nfs/dbraw/zinc/49/10/95/1123491095.db2.gz XQEWVSLURJNMEY-GFCCVEGCSA-N 0 3 269.335 3.616 20 10 CHCDHN CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783526224 1123493419 /nfs/dbraw/zinc/49/34/19/1123493419.db2.gz UQKDSLNOPYZTCO-STQMWFEESA-N 0 3 270.376 3.761 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000895851043 1123521893 /nfs/dbraw/zinc/52/18/93/1123521893.db2.gz IIJUPZQVTPKIFR-OFQRWUPVSA-N 0 3 297.398 3.683 20 10 CHCDHN Cc1nn(C(C)C)c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000895852141 1123522857 /nfs/dbraw/zinc/52/28/57/1123522857.db2.gz PURQQHKAKYGPCC-GFCCVEGCSA-N 0 3 287.407 3.637 20 10 CHCDHN CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000858257583 1123639836 /nfs/dbraw/zinc/63/98/36/1123639836.db2.gz PKGUWNRFHLHVKJ-QAQDUYKDSA-N 0 3 291.435 3.856 20 10 CHCDHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccns1 ZINC000858318161 1123644508 /nfs/dbraw/zinc/64/45/08/1123644508.db2.gz LIOXKFGOLPHPBS-ZFDPJTLLSA-N 0 3 287.432 3.573 20 10 CHCDHN Cc1csc([C@@H](C)NCCCSc2nccs2)n1 ZINC000858364925 1123647777 /nfs/dbraw/zinc/64/77/77/1123647777.db2.gz IBIUJHNYAKQLEY-SNVBAGLBSA-N 0 3 299.490 3.741 20 10 CHCDHN Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccccc2[O-])nc1 ZINC000858487590 1123657435 /nfs/dbraw/zinc/65/74/35/1123657435.db2.gz CNLXOPRLLZLDNH-AWEZNQCLSA-N 0 3 284.403 3.724 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000858536609 1123660690 /nfs/dbraw/zinc/66/06/90/1123660690.db2.gz IDXKISKNXCNCGT-VWPFQQQWSA-N 0 3 259.393 3.787 20 10 CHCDHN C[C@H](C[N@H+](C)Cc1ccccc1[O-])c1ccccc1 ZINC000116879169 1123704161 /nfs/dbraw/zinc/70/41/61/1123704161.db2.gz ZFWSULUOMRJSAM-CQSZACIVSA-N 0 3 255.361 3.628 20 10 CHCDHN C[C@H](C[N@@H+](C)Cc1ccccc1[O-])c1ccccc1 ZINC000116879169 1123704164 /nfs/dbraw/zinc/70/41/64/1123704164.db2.gz ZFWSULUOMRJSAM-CQSZACIVSA-N 0 3 255.361 3.628 20 10 CHCDHN Cc1cc(CN2CCC(F)(F)C[C@H]2C)ccc1N(C)C ZINC000859836910 1123712991 /nfs/dbraw/zinc/71/29/91/1123712991.db2.gz BXAKTAHMNVWEQT-CYBMUJFWSA-N 0 3 282.378 3.681 20 10 CHCDHN CC[C@H](C)[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000862387238 1123806008 /nfs/dbraw/zinc/80/60/08/1123806008.db2.gz JEOLOMRNQHIMOB-HNNXBMFYSA-N 0 3 299.414 3.652 20 10 CHCDHN CC[C@H](C)[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000862387238 1123806014 /nfs/dbraw/zinc/80/60/14/1123806014.db2.gz JEOLOMRNQHIMOB-HNNXBMFYSA-N 0 3 299.414 3.652 20 10 CHCDHN CN(C)c1ccc(/C=C/CN2CCCC(F)(F)CC2)cc1 ZINC000862467136 1123812678 /nfs/dbraw/zinc/81/26/78/1123812678.db2.gz QRBVBKKQNXOOES-HWKANZROSA-N 0 3 294.389 3.887 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000862535983 1123816376 /nfs/dbraw/zinc/81/63/76/1123816376.db2.gz BPGDGMHGZNCHEJ-UHFFFAOYSA-N 0 3 291.288 3.744 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C)cc1[O-] ZINC000840819126 1123827726 /nfs/dbraw/zinc/82/77/26/1123827726.db2.gz FDJPVAWDBGYCRH-SLBVQIDZSA-N 0 3 259.393 3.930 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1[O-] ZINC000840875501 1123880783 /nfs/dbraw/zinc/88/07/83/1123880783.db2.gz HPIAIGLVLVUVKO-HZSPNIEDSA-N 0 3 251.345 3.714 20 10 CHCDHN Cc1nc(C)c(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000119825525 1123915488 /nfs/dbraw/zinc/91/54/88/1123915488.db2.gz ZHXWEHNIWSKKCT-LLVKDONJSA-N 0 3 289.448 3.677 20 10 CHCDHN CC[C@H]([NH2+]CCc1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000794797038 1123949946 /nfs/dbraw/zinc/94/99/46/1123949946.db2.gz LQYYTFSHFBXVPP-SFHVURJKSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794802485 1123950888 /nfs/dbraw/zinc/95/08/88/1123950888.db2.gz NNWGJFXGCOJDBK-HKUYNNGSSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000794794551 1123951734 /nfs/dbraw/zinc/95/17/34/1123951734.db2.gz FCBMHVSCCRMIHL-RDJZCZTQSA-N 0 3 290.451 3.616 20 10 CHCDHN CCCCOCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794803521 1123951994 /nfs/dbraw/zinc/95/19/94/1123951994.db2.gz JNZDPMZFIVSKST-HNNXBMFYSA-N 0 3 265.397 3.558 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CO)c1ccccc1C)c1ccc(C)cc1[O-] ZINC000794804860 1123952578 /nfs/dbraw/zinc/95/25/78/1123952578.db2.gz VQWKHWUMGGCMMT-ROUUACIJSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccccc1O)c1ccc(C)cc1[O-] ZINC000794803899 1123953228 /nfs/dbraw/zinc/95/32/28/1123953228.db2.gz KYHWGSTZVADGIH-INIZCTEOSA-N 0 3 285.387 3.690 20 10 CHCDHN CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(C)cc1[O-] ZINC000794806282 1123955320 /nfs/dbraw/zinc/95/53/20/1123955320.db2.gz ZSUJAZFQANNXRN-RYQLBKOJSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(C)cc1[O-] ZINC000794812537 1123959218 /nfs/dbraw/zinc/95/92/18/1123959218.db2.gz XCPIDPKFDAHLGN-JSGCOSHPSA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@@H](CSC)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794818550 1123959500 /nfs/dbraw/zinc/95/95/00/1123959500.db2.gz UIQRLXUGQICYDF-JSGCOSHPSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cnc(C)s1)c1ccccc1[O-] ZINC000866456236 1124068351 /nfs/dbraw/zinc/06/83/51/1124068351.db2.gz XMWMNXGOQHCXJF-GXFFZTMASA-N 0 3 276.405 3.959 20 10 CHCDHN Cc1ccc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000866479094 1124070850 /nfs/dbraw/zinc/07/08/50/1124070850.db2.gz PSMYDFVTNXTZJQ-NOZJJQNGSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)o1 ZINC000866479094 1124070845 /nfs/dbraw/zinc/07/08/45/1124070845.db2.gz PSMYDFVTNXTZJQ-NOZJJQNGSA-N 0 3 275.323 3.771 20 10 CHCDHN CC[C@H](N[C@@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000866632720 1124092004 /nfs/dbraw/zinc/09/20/04/1124092004.db2.gz ORMZXCJXQVTDIN-DLBZAZTESA-N 0 3 298.434 3.525 20 10 CHCDHN Cc1ccc([C@H](C)N[C@H](C)c2nccnc2C)c(O)c1C ZINC000872134330 1124692924 /nfs/dbraw/zinc/69/29/24/1124692924.db2.gz RKVKNYSNZZOGPI-GXTWGEPZSA-N 0 3 285.391 3.519 20 10 CHCDHN CC[C@H](N[C@@H](C)c1nccnc1C)c1ccc(C)cc1O ZINC000872135108 1124693796 /nfs/dbraw/zinc/69/37/96/1124693796.db2.gz VFTHQEHJUVCDNG-ZFWWWQNUSA-N 0 3 285.391 3.601 20 10 CHCDHN CCCOc1ccc(CNC2CC(F)(F)C2)cc1C ZINC000873114592 1124738784 /nfs/dbraw/zinc/73/87/84/1124738784.db2.gz MBBAKXVKQGPBIL-UHFFFAOYSA-N 0 3 269.335 3.671 20 10 CHCDHN CCCOc1ccc(CNCc2ccnc(C)c2)cc1C ZINC000873129068 1124739786 /nfs/dbraw/zinc/73/97/86/1124739786.db2.gz IJTXQEVDXJBJHW-UHFFFAOYSA-N 0 3 284.403 3.777 20 10 CHCDHN CCCOc1ccc(CNCc2cnccc2C)cc1C ZINC000873131857 1124740185 /nfs/dbraw/zinc/74/01/85/1124740185.db2.gz XTOFEBJJVOOZMK-UHFFFAOYSA-N 0 3 284.403 3.777 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000873186091 1124747393 /nfs/dbraw/zinc/74/73/93/1124747393.db2.gz DHUGITSTAAYCFN-JTQLQIEISA-N 0 3 296.292 3.657 20 10 CHCDHN CCCN(Cc1cc(C)ns1)Cc1ccccc1O ZINC000876654770 1124968528 /nfs/dbraw/zinc/96/85/28/1124968528.db2.gz OVJIUCDSLSPIFM-UHFFFAOYSA-N 0 3 276.405 3.569 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2C)c([O-])c1 ZINC000876889095 1124988690 /nfs/dbraw/zinc/98/86/90/1124988690.db2.gz JAHISXGBYUFQMV-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1cccc(O)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000876945611 1124991750 /nfs/dbraw/zinc/99/17/50/1124991750.db2.gz GLKSEFPUONIZKE-GXTWGEPZSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)c([O-])c1 ZINC000877008575 1124996363 /nfs/dbraw/zinc/99/63/63/1124996363.db2.gz NCKFWNWPURTFFI-UGSOOPFHSA-N 0 3 267.372 3.724 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)c([O-])c1 ZINC000877016215 1124998581 /nfs/dbraw/zinc/99/85/81/1124998581.db2.gz DEBISBJSLJMNFZ-CQSZACIVSA-N 0 3 285.387 3.517 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3C)c([O-])c1 ZINC000877015261 1124998688 /nfs/dbraw/zinc/99/86/88/1124998688.db2.gz JGOMCGFYQNIQDV-QGZVFWFLSA-N 0 3 267.372 3.786 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000877376542 1125024507 /nfs/dbraw/zinc/02/45/07/1125024507.db2.gz JLMJIBWXKHVIMQ-QFBILLFUSA-N 0 3 297.398 3.711 20 10 CHCDHN COc1ccc(C[NH2+]Cc2cccc(Cl)c2C)c([O-])c1 ZINC000877493573 1125035260 /nfs/dbraw/zinc/03/52/60/1125035260.db2.gz LYTYBUOSDKUBTF-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000877557516 1125044571 /nfs/dbraw/zinc/04/45/71/1125044571.db2.gz NFKGFTPGYVHLBW-CYBMUJFWSA-N 0 3 285.412 3.680 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)CCCc2cccnc2)c([O-])c1 ZINC000877584165 1125048715 /nfs/dbraw/zinc/04/87/15/1125048715.db2.gz PGMUUDUURNMJKM-HNNXBMFYSA-N 0 3 284.403 3.597 20 10 CHCDHN Cc1ccc(CNCc2cc(Cl)cc(C)c2O)o1 ZINC000877697132 1125064191 /nfs/dbraw/zinc/06/41/91/1125064191.db2.gz BUDGKDDZABMJTC-UHFFFAOYSA-N 0 3 265.740 3.545 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000877702921 1125065582 /nfs/dbraw/zinc/06/55/82/1125065582.db2.gz JZXKFAAQDQFZOF-HZPDHXFCSA-N 0 3 265.356 3.512 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000877702921 1125065589 /nfs/dbraw/zinc/06/55/89/1125065589.db2.gz JZXKFAAQDQFZOF-HZPDHXFCSA-N 0 3 265.356 3.512 20 10 CHCDHN C[C@H](NCc1ncccc1C(F)(F)F)c1ccccc1O ZINC000877757194 1125075201 /nfs/dbraw/zinc/07/52/01/1125075201.db2.gz MWHLRWVKKMFRJV-JTQLQIEISA-N 0 3 296.292 3.657 20 10 CHCDHN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CS1 ZINC000877758121 1125075560 /nfs/dbraw/zinc/07/55/60/1125075560.db2.gz JRPUOBGIXFNZLH-HUBLWGQQSA-N 0 3 265.422 3.573 20 10 CHCDHN CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)[nH]n1 ZINC000877785378 1125081739 /nfs/dbraw/zinc/08/17/39/1125081739.db2.gz YRZAGCGMCNFDBD-CQSZACIVSA-N 0 3 299.418 3.618 20 10 CHCDHN CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)[nH]n1 ZINC000877785378 1125081748 /nfs/dbraw/zinc/08/17/48/1125081748.db2.gz YRZAGCGMCNFDBD-CQSZACIVSA-N 0 3 299.418 3.618 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878242897 1125133814 /nfs/dbraw/zinc/13/38/14/1125133814.db2.gz WSHAYIXOLUHZTA-MJGOQNOKSA-N 0 3 297.398 3.744 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878242897 1125133820 /nfs/dbraw/zinc/13/38/20/1125133820.db2.gz WSHAYIXOLUHZTA-MJGOQNOKSA-N 0 3 297.398 3.744 20 10 CHCDHN C[N@H+](CC[C@H]1CCCC1(F)F)Cc1ccccc1[O-] ZINC000878241045 1125134362 /nfs/dbraw/zinc/13/43/62/1125134362.db2.gz AAEDBQKJNDKFFI-CYBMUJFWSA-N 0 3 269.335 3.650 20 10 CHCDHN C[N@@H+](CC[C@H]1CCCC1(F)F)Cc1ccccc1[O-] ZINC000878241045 1125134366 /nfs/dbraw/zinc/13/43/66/1125134366.db2.gz AAEDBQKJNDKFFI-CYBMUJFWSA-N 0 3 269.335 3.650 20 10 CHCDHN CCOc1cccc(C[N@H+](C2CC2)C2CCCC2)c1[O-] ZINC000130216611 1125358309 /nfs/dbraw/zinc/35/83/09/1125358309.db2.gz BKNICKQNJRSRQK-UHFFFAOYSA-N 0 3 275.392 3.698 20 10 CHCDHN CCOc1cccc(C[N@@H+](C2CC2)C2CCCC2)c1[O-] ZINC000130216611 1125358312 /nfs/dbraw/zinc/35/83/12/1125358312.db2.gz BKNICKQNJRSRQK-UHFFFAOYSA-N 0 3 275.392 3.698 20 10 CHCDHN COCc1c(C)cc(C)c(C[NH2+]Cc2ccccc2[O-])c1C ZINC000882955833 1125363886 /nfs/dbraw/zinc/36/38/86/1125363886.db2.gz SZXZXJAPVQOKQN-UHFFFAOYSA-N 0 3 299.414 3.754 20 10 CHCDHN CCOc1ccc(C[NH2+]CC[C@H]2CCCC2(F)F)c([O-])c1 ZINC000883265637 1125388753 /nfs/dbraw/zinc/38/87/53/1125388753.db2.gz HCFBOIVPZPNWLS-CYBMUJFWSA-N 0 3 299.361 3.706 20 10 CHCDHN C[C@@H]([NH2+]C[C@@]1(C)OCCc2ccccc21)c1ccccc1[O-] ZINC000883339969 1125397639 /nfs/dbraw/zinc/39/76/39/1125397639.db2.gz GNGKWDHMLZGUMQ-AUUYWEPGSA-N 0 3 297.398 3.531 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1[O-] ZINC000132830878 1125423962 /nfs/dbraw/zinc/42/39/62/1125423962.db2.gz VLXBQQRRTRPULO-INIZCTEOSA-N 0 3 289.419 3.946 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C2CCCC2)c1[O-] ZINC000132830878 1125423964 /nfs/dbraw/zinc/42/39/64/1125423964.db2.gz VLXBQQRRTRPULO-INIZCTEOSA-N 0 3 289.419 3.946 20 10 CHCDHN CC[C@H]([NH2+]CCCC(C)(F)F)c1ccccc1[O-] ZINC000295946739 1129219075 /nfs/dbraw/zinc/21/90/75/1129219075.db2.gz GRVNBOSKQXNSBE-LBPRGKRZSA-N 0 3 257.324 3.868 20 10 CHCDHN Cc1cccc(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1O ZINC000245848412 1129229543 /nfs/dbraw/zinc/22/95/43/1129229543.db2.gz LVPSTXSRHAIHQG-CRAIPNDOSA-N 0 3 297.398 3.663 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1[O-] ZINC000282683814 1129276897 /nfs/dbraw/zinc/27/68/97/1129276897.db2.gz JVGGAMMVGBTEAE-RDJZCZTQSA-N 0 3 289.419 3.782 20 10 CHCDHN Cc1cccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000736945584 1129382014 /nfs/dbraw/zinc/38/20/14/1129382014.db2.gz PPTZUVNVRHMTRF-UHFFFAOYSA-N 0 3 297.446 3.867 20 10 CHCDHN CC[C@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000738438767 1129393657 /nfs/dbraw/zinc/39/36/57/1129393657.db2.gz CQZQHUSQGLRKJM-QGZVFWFLSA-N 0 3 285.387 3.574 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(F)ccc1[O-] ZINC000248528992 1129421126 /nfs/dbraw/zinc/42/11/26/1129421126.db2.gz WKWWROGTILRYND-XNKSSIQNSA-N 0 3 297.373 3.768 20 10 CHCDHN Cc1ccc(O)c(CN2CCO[C@@H](c3ccccc3C)C2)c1 ZINC000093478531 1129424744 /nfs/dbraw/zinc/42/47/44/1129424744.db2.gz KSXFFSPAJXJTGP-LJQANCHMSA-N 0 3 297.398 3.583 20 10 CHCDHN CC[C@H]1CCCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000093530209 1129425553 /nfs/dbraw/zinc/42/55/53/1129425553.db2.gz FLAVMZWKMGAGKA-AWEZNQCLSA-N 0 3 263.381 3.555 20 10 CHCDHN CC[C@H]1CCCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000093530209 1129425556 /nfs/dbraw/zinc/42/55/56/1129425556.db2.gz FLAVMZWKMGAGKA-AWEZNQCLSA-N 0 3 263.381 3.555 20 10 CHCDHN C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617296 1129448135 /nfs/dbraw/zinc/44/81/35/1129448135.db2.gz HLCODAGVIVTZCQ-MNOVXSKESA-N 0 3 279.380 3.875 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000094616905 1129448182 /nfs/dbraw/zinc/44/81/82/1129448182.db2.gz WKEMXMMNQUXFMF-STQMWFEESA-N 0 3 273.351 3.986 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000094618067 1129448279 /nfs/dbraw/zinc/44/82/79/1129448279.db2.gz VUKXPMSTGKLXQJ-BLLLJJGKSA-N 0 3 285.362 3.739 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000094616906 1129448358 /nfs/dbraw/zinc/44/83/58/1129448358.db2.gz WKEMXMMNQUXFMF-OLZOCXBDSA-N 0 3 273.351 3.986 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000094616884 1129448599 /nfs/dbraw/zinc/44/85/99/1129448599.db2.gz UPTQAGQNQKBYRI-BDJLRTHQSA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000796048051 1129464833 /nfs/dbraw/zinc/46/48/33/1129464833.db2.gz VQFDGAYZDHHQFM-GOSISDBHSA-N 0 3 285.362 3.695 20 10 CHCDHN C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000796048051 1129464835 /nfs/dbraw/zinc/46/48/35/1129464835.db2.gz VQFDGAYZDHHQFM-GOSISDBHSA-N 0 3 285.362 3.695 20 10 CHCDHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)C1CC1 ZINC000822622180 1131389518 /nfs/dbraw/zinc/38/95/18/1131389518.db2.gz UNLXDIFHIVVDEX-GOSISDBHSA-N 0 3 289.419 3.562 20 10 CHCDHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C1CC1 ZINC000822622180 1131389524 /nfs/dbraw/zinc/38/95/24/1131389524.db2.gz UNLXDIFHIVVDEX-GOSISDBHSA-N 0 3 289.419 3.562 20 10 CHCDHN CCC[N@H+](Cc1ccccc1)Cc1c([O-])cccc1OC ZINC000768159442 1129836363 /nfs/dbraw/zinc/83/63/63/1129836363.db2.gz FVYKYEDGTXAARK-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1OC ZINC000768159442 1129836369 /nfs/dbraw/zinc/83/63/69/1129836369.db2.gz FVYKYEDGTXAARK-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1[O-] ZINC000822812691 1131400978 /nfs/dbraw/zinc/40/09/78/1131400978.db2.gz KOOYSADABAENAR-UWVGGRQHSA-N 0 3 274.191 3.627 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCSCC1 ZINC000768237913 1129847531 /nfs/dbraw/zinc/84/75/31/1129847531.db2.gz VQVXWKDXIFEVIJ-UHFFFAOYSA-N 0 3 285.412 3.608 20 10 CHCDHN CCOc1ccc(CN(C)[C@@H](C)c2ccco2)c(O)c1 ZINC000768261311 1129848667 /nfs/dbraw/zinc/84/86/67/1129848667.db2.gz AWFJHXDMNRNZLL-LBPRGKRZSA-N 0 3 275.348 3.577 20 10 CHCDHN CCCC[N@H+](Cc1ccc(OCC)cc1[O-])C1CC1 ZINC000768290146 1129849461 /nfs/dbraw/zinc/84/94/61/1129849461.db2.gz BUTZMXCRYTWLNC-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CCCC[N@@H+](Cc1ccc(OCC)cc1[O-])C1CC1 ZINC000768290146 1129849466 /nfs/dbraw/zinc/84/94/66/1129849466.db2.gz BUTZMXCRYTWLNC-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN Cc1csc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000394120653 1129873766 /nfs/dbraw/zinc/87/37/66/1129873766.db2.gz WOQNARLKMJWGFD-CYBMUJFWSA-N 0 3 259.374 3.539 20 10 CHCDHN C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1[O-] ZINC000800496241 1129880335 /nfs/dbraw/zinc/88/03/35/1129880335.db2.gz UMPACILOIJIFRV-XHDPSFHLSA-N 0 3 287.790 3.864 20 10 CHCDHN CCOCC[N@H+](CC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769141323 1129892859 /nfs/dbraw/zinc/89/28/59/1129892859.db2.gz RBNXCNPXVDKVOA-UHFFFAOYSA-N 0 3 299.414 3.918 20 10 CHCDHN CCOCC[N@@H+](CC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769141323 1129892864 /nfs/dbraw/zinc/89/28/64/1129892864.db2.gz RBNXCNPXVDKVOA-UHFFFAOYSA-N 0 3 299.414 3.918 20 10 CHCDHN CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769537612 1129916673 /nfs/dbraw/zinc/91/66/73/1129916673.db2.gz MSRKAEYMFXUEEJ-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769537612 1129916676 /nfs/dbraw/zinc/91/66/76/1129916676.db2.gz MSRKAEYMFXUEEJ-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]CC1CC(c2ccccc2)C1 ZINC000801729907 1129940543 /nfs/dbraw/zinc/94/05/43/1129940543.db2.gz CAENJKCNGLBXBF-UHFFFAOYSA-N 0 3 297.398 3.684 20 10 CHCDHN CC(C)[N@H+](Cc1cccc(F)c1)Cc1ccccc1[O-] ZINC000770509772 1129948813 /nfs/dbraw/zinc/94/88/13/1129948813.db2.gz TVDUBDXZBUCXOU-UHFFFAOYSA-N 0 3 273.351 3.942 20 10 CHCDHN CC(C)[N@@H+](Cc1cccc(F)c1)Cc1ccccc1[O-] ZINC000770509772 1129948815 /nfs/dbraw/zinc/94/88/15/1129948815.db2.gz TVDUBDXZBUCXOU-UHFFFAOYSA-N 0 3 273.351 3.942 20 10 CHCDHN Cc1cccnc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000772173613 1130010459 /nfs/dbraw/zinc/01/04/59/1130010459.db2.gz CORYPHMZJAGAFD-UHFFFAOYSA-N 0 3 297.446 3.867 20 10 CHCDHN CNc1ccccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000902487806 1130015396 /nfs/dbraw/zinc/01/53/96/1130015396.db2.gz FAILJMIONDEWLB-AWEZNQCLSA-N 0 3 283.419 3.645 20 10 CHCDHN CCOC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCCC1 ZINC000383718256 1130020184 /nfs/dbraw/zinc/02/01/84/1130020184.db2.gz FRDMQUOAEIFWQQ-GFCCVEGCSA-N 0 3 281.371 3.531 20 10 CHCDHN CCCC[N@H+](Cc1ccc(F)nc1)Cc1ccccc1[O-] ZINC000802657601 1130026383 /nfs/dbraw/zinc/02/63/83/1130026383.db2.gz KDFGRQBMKUWGCH-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN CCCC[N@@H+](Cc1ccc(F)nc1)Cc1ccccc1[O-] ZINC000802657601 1130026384 /nfs/dbraw/zinc/02/63/84/1130026384.db2.gz KDFGRQBMKUWGCH-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN COc1cccc([C@H](C)N[C@H](c2ccccn2)C2CC2)c1O ZINC000903335282 1130160399 /nfs/dbraw/zinc/16/03/99/1130160399.db2.gz NJLGPUAOJORIRM-SJCJKPOMSA-N 0 3 298.386 3.598 20 10 CHCDHN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cc(F)ccc1[O-] ZINC000903335408 1130160872 /nfs/dbraw/zinc/16/08/72/1130160872.db2.gz OTKCLGUPCIYOIV-PIGZYNQJSA-N 0 3 286.350 3.728 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)CC2 ZINC000903336507 1130161751 /nfs/dbraw/zinc/16/17/51/1130161751.db2.gz ZOBFKWQQPDZTQY-RDTXWAMCSA-N 0 3 280.371 3.515 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccccc1[O-] ZINC000903430051 1130176742 /nfs/dbraw/zinc/17/67/42/1130176742.db2.gz XGVUJECQWKQHGR-YVEFUNNKSA-N 0 3 268.360 3.589 20 10 CHCDHN Cc1cc(C)c([C@H](C)NCc2cccc(C)n2)c(O)c1 ZINC000788557955 1130194738 /nfs/dbraw/zinc/19/47/38/1130194738.db2.gz RUXCEYGDTFUKQS-AWEZNQCLSA-N 0 3 270.376 3.563 20 10 CHCDHN CSC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000788604470 1130197561 /nfs/dbraw/zinc/19/75/61/1130197561.db2.gz AUQDBBVFBAGDDV-CMPLNLGQSA-N 0 3 295.423 3.955 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000792192855 1130437376 /nfs/dbraw/zinc/43/73/76/1130437376.db2.gz RLPVWJFTRZQHAQ-OAHLLOKOSA-N 0 3 293.382 3.503 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccc(C)cc2)c([O-])c1 ZINC000793388087 1130552457 /nfs/dbraw/zinc/55/24/57/1130552457.db2.gz LQBILPNJINEMOU-HNNXBMFYSA-N 0 3 299.414 3.820 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000758337874 1130605758 /nfs/dbraw/zinc/60/57/58/1130605758.db2.gz YMZHIVHGFFYWJU-UHFFFAOYSA-N 0 3 287.306 3.762 20 10 CHCDHN CC1=C[C@H](C)C[C@@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000811458063 1130610708 /nfs/dbraw/zinc/61/07/08/1130610708.db2.gz TXCROBIXTJNZCR-DZGCQCFKSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=C[C@H](C)C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000811458063 1130610710 /nfs/dbraw/zinc/61/07/10/1130610710.db2.gz TXCROBIXTJNZCR-DZGCQCFKSA-N 0 3 259.393 3.816 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC4CCC3CC4)c2c1 ZINC001234552990 1130656519 /nfs/dbraw/zinc/65/65/19/1130656519.db2.gz RVBZLCKLDRPPSB-UHFFFAOYSA-N 0 3 297.398 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC4CCC3CC4)c2c1 ZINC001234552990 1130656522 /nfs/dbraw/zinc/65/65/22/1130656522.db2.gz RVBZLCKLDRPPSB-UHFFFAOYSA-N 0 3 297.398 3.928 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780520388 1130683011 /nfs/dbraw/zinc/68/30/11/1130683011.db2.gz OMVJJOBLOXKYJU-AEFFLSMTSA-N 0 3 281.399 3.893 20 10 CHCDHN [O-]c1c(C[NH+]2CC(C(F)F)C2)cccc1-c1ccccc1 ZINC001235000005 1130701778 /nfs/dbraw/zinc/70/17/78/1130701778.db2.gz OEVPLDNZPUEANR-UHFFFAOYSA-N 0 3 289.325 3.756 20 10 CHCDHN C=Cc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000812733868 1130709955 /nfs/dbraw/zinc/70/99/55/1130709955.db2.gz COIPANGHZAHWDC-AWEZNQCLSA-N 0 3 267.372 3.929 20 10 CHCDHN CO[C@@](C)(C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000812734886 1130710452 /nfs/dbraw/zinc/71/04/52/1130710452.db2.gz UIXVXDAJTBWKFK-BZNIZROVSA-N 0 3 297.826 3.820 20 10 CHCDHN C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676781 1130766329 /nfs/dbraw/zinc/76/63/29/1130766329.db2.gz UUPHALOQYKJJTG-WFASDCNBSA-N 0 3 279.399 3.870 20 10 CHCDHN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676781 1130766331 /nfs/dbraw/zinc/76/63/31/1130766331.db2.gz UUPHALOQYKJJTG-WFASDCNBSA-N 0 3 279.399 3.870 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001235674875 1130766668 /nfs/dbraw/zinc/76/66/68/1130766668.db2.gz HKYPVEHVQNOLCD-ZIAGYGMSSA-N 0 3 273.420 3.922 20 10 CHCDHN C[N@H+](CCc1cccnc1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235685341 1130768801 /nfs/dbraw/zinc/76/88/01/1130768801.db2.gz OYQISKXVHRKMSA-UHFFFAOYSA-N 0 3 298.430 3.759 20 10 CHCDHN C[N@@H+](CCc1cccnc1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235685341 1130768807 /nfs/dbraw/zinc/76/88/07/1130768807.db2.gz OYQISKXVHRKMSA-UHFFFAOYSA-N 0 3 298.430 3.759 20 10 CHCDHN C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783503527 1130830966 /nfs/dbraw/zinc/83/09/66/1130830966.db2.gz FKVLOGOWRSITBB-OLZOCXBDSA-N 0 3 289.350 3.649 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1cccc(F)c1 ZINC000783500450 1130831134 /nfs/dbraw/zinc/83/11/34/1130831134.db2.gz GQXDJWKGXBCCNN-STQMWFEESA-N 0 3 273.351 3.986 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1c(C)nn(C)c1C ZINC000783517994 1130832219 /nfs/dbraw/zinc/83/22/19/1130832219.db2.gz MJIKVBFCSKOSAX-ABAIWWIYSA-N 0 3 287.407 3.544 20 10 CHCDHN Cc1cccc(OCCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000783518729 1130833520 /nfs/dbraw/zinc/83/35/20/1130833520.db2.gz ROLKVEJARFJERX-OAHLLOKOSA-N 0 3 285.387 3.820 20 10 CHCDHN Cc1ccoc1CN(C)Cc1cc(C)c(C)cc1O ZINC000814175595 1130835461 /nfs/dbraw/zinc/83/54/61/1130835461.db2.gz WYHQZJGVSCLOJM-UHFFFAOYSA-N 0 3 259.349 3.542 20 10 CHCDHN Cc1cc(C)c(O)c(CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000814229669 1130850169 /nfs/dbraw/zinc/85/01/69/1130850169.db2.gz COSOPAKDFPFZAI-GOSISDBHSA-N 0 3 296.414 3.987 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000783746044 1130852380 /nfs/dbraw/zinc/85/23/80/1130852380.db2.gz VFRFHKKJNWATAO-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCCC2(CCCC2)C1 ZINC000783746044 1130852388 /nfs/dbraw/zinc/85/23/88/1130852388.db2.gz VFRFHKKJNWATAO-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1[O-] ZINC000775547087 1130881391 /nfs/dbraw/zinc/88/13/91/1130881391.db2.gz NTTIXMOWHKPXGB-NHYWBVRUSA-N 0 3 274.339 3.728 20 10 CHCDHN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000784640499 1130914824 /nfs/dbraw/zinc/91/48/24/1130914824.db2.gz PGSZWINAANMFGH-LIRRHRJNSA-N 0 3 297.398 3.716 20 10 CHCDHN Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000797061045 1130957896 /nfs/dbraw/zinc/95/78/96/1130957896.db2.gz MYYQTFOUSSLXFW-YZVOILCLSA-N 0 3 299.414 3.782 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001236784285 1131006670 /nfs/dbraw/zinc/00/66/70/1131006670.db2.gz TZBJBFROEHSULO-KRWDZBQOSA-N 0 3 281.399 3.944 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001236784285 1131006674 /nfs/dbraw/zinc/00/66/74/1131006674.db2.gz TZBJBFROEHSULO-KRWDZBQOSA-N 0 3 281.399 3.944 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000815576438 1131008213 /nfs/dbraw/zinc/00/82/13/1131008213.db2.gz QHXNNJRSJXABJR-HUUCEWRRSA-N 0 3 299.414 3.996 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2ccc(F)cc2)c([O-])c1 ZINC001236795672 1131009514 /nfs/dbraw/zinc/00/95/14/1131009514.db2.gz YORFOFOYMAWICX-UHFFFAOYSA-N 0 3 287.378 3.768 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)c([O-])c1 ZINC001236795672 1131009518 /nfs/dbraw/zinc/00/95/18/1131009518.db2.gz YORFOFOYMAWICX-UHFFFAOYSA-N 0 3 287.378 3.768 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC001236808420 1131010672 /nfs/dbraw/zinc/01/06/72/1131010672.db2.gz PHWPBLZZCYKVMW-JSGCOSHPSA-N 0 3 277.408 3.577 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC001236808420 1131010676 /nfs/dbraw/zinc/01/06/76/1131010676.db2.gz PHWPBLZZCYKVMW-JSGCOSHPSA-N 0 3 277.408 3.577 20 10 CHCDHN CCC[C@H]1CCCC[N@@H+]1Cc1c(C)cc(OC)cc1[O-] ZINC001236812246 1131011037 /nfs/dbraw/zinc/01/10/37/1131011037.db2.gz BAOYVTRRASUMCQ-AWEZNQCLSA-N 0 3 277.408 3.864 20 10 CHCDHN CCC[C@H]1CCCC[N@H+]1Cc1c(C)cc(OC)cc1[O-] ZINC001236812246 1131011040 /nfs/dbraw/zinc/01/10/40/1131011040.db2.gz BAOYVTRRASUMCQ-AWEZNQCLSA-N 0 3 277.408 3.864 20 10 CHCDHN CCOCC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236832784 1131017789 /nfs/dbraw/zinc/01/77/89/1131017789.db2.gz LHWNEYWHKOIZAE-UHFFFAOYSA-N 0 3 299.414 3.794 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(C)(C)O ZINC000815651724 1131017824 /nfs/dbraw/zinc/01/78/24/1131017824.db2.gz BIVDRHYQIRHYRX-GXFFZTMASA-N 0 3 285.815 3.554 20 10 CHCDHN CC[N@H+](Cc1ccncc1)Cc1cc2ccccc2cc1[O-] ZINC001236834969 1131019314 /nfs/dbraw/zinc/01/93/14/1131019314.db2.gz BLUPYBUKMVXZTE-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccncc1)Cc1cc2ccccc2cc1[O-] ZINC001236834969 1131019318 /nfs/dbraw/zinc/01/93/18/1131019318.db2.gz BLUPYBUKMVXZTE-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236834873 1131019728 /nfs/dbraw/zinc/01/97/28/1131019728.db2.gz DTIYCBVTEANKPF-CYBMUJFWSA-N 0 3 255.361 3.920 20 10 CHCDHN C[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236834873 1131019734 /nfs/dbraw/zinc/01/97/34/1131019734.db2.gz DTIYCBVTEANKPF-CYBMUJFWSA-N 0 3 255.361 3.920 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c([O-])c1 ZINC001237049672 1131039733 /nfs/dbraw/zinc/03/97/33/1131039733.db2.gz QXULLEFUMKUFQC-ZDUSSCGKSA-N 0 3 265.372 3.697 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](CF)C2)c([O-])c1 ZINC001237049672 1131039738 /nfs/dbraw/zinc/03/97/38/1131039738.db2.gz QXULLEFUMKUFQC-ZDUSSCGKSA-N 0 3 265.372 3.697 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC3CCC2CC3)c([O-])c1 ZINC001237048832 1131040501 /nfs/dbraw/zinc/04/05/01/1131040501.db2.gz JBIDAAPRIGGNEL-UHFFFAOYSA-N 0 3 259.393 3.890 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC3CCC2CC3)c([O-])c1 ZINC001237048832 1131040507 /nfs/dbraw/zinc/04/05/07/1131040507.db2.gz JBIDAAPRIGGNEL-UHFFFAOYSA-N 0 3 259.393 3.890 20 10 CHCDHN CCOc1ccc(C[NH+]2CCC(C(C)C)CC2)c([O-])c1 ZINC001237045198 1131041494 /nfs/dbraw/zinc/04/14/94/1131041494.db2.gz YJIUPIXEKWYPGA-UHFFFAOYSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001237050137 1131041748 /nfs/dbraw/zinc/04/17/48/1131041748.db2.gz PZFARKQHNXYWCE-GFCCVEGCSA-N 0 3 299.361 3.658 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001237050137 1131041754 /nfs/dbraw/zinc/04/17/54/1131041754.db2.gz PZFARKQHNXYWCE-GFCCVEGCSA-N 0 3 299.361 3.658 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001237053106 1131042734 /nfs/dbraw/zinc/04/27/34/1131042734.db2.gz GSKPIHQFHSVQBV-MRXNPFEDSA-N 0 3 296.414 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001237053106 1131042740 /nfs/dbraw/zinc/04/27/40/1131042740.db2.gz GSKPIHQFHSVQBV-MRXNPFEDSA-N 0 3 296.414 3.900 20 10 CHCDHN C[N@H+](CCC1CC1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237114920 1131052135 /nfs/dbraw/zinc/05/21/35/1131052135.db2.gz PCSKNKGWGNXNLT-UHFFFAOYSA-N 0 3 289.297 3.523 20 10 CHCDHN C[N@@H+](CCC1CC1)Cc1c([O-])cccc1OC(F)(F)F ZINC001237114920 1131052140 /nfs/dbraw/zinc/05/21/40/1131052140.db2.gz PCSKNKGWGNXNLT-UHFFFAOYSA-N 0 3 289.297 3.523 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccccc1[O-] ZINC000798938301 1131062955 /nfs/dbraw/zinc/06/29/55/1131062955.db2.gz WIUOMNMBENMJQL-WBVHZDCISA-N 0 3 291.435 3.622 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c([O-])c1 ZINC000798938540 1131063509 /nfs/dbraw/zinc/06/35/09/1131063509.db2.gz YQEKCCGPTWOUDK-HOCLYGCPSA-N 0 3 291.435 3.540 20 10 CHCDHN Cc1cc(F)cc(C)c1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001237325276 1131083441 /nfs/dbraw/zinc/08/34/41/1131083441.db2.gz IVPVDDWICJLVAX-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1cc(F)cc(C)c1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001237325276 1131083447 /nfs/dbraw/zinc/08/34/47/1131083447.db2.gz IVPVDDWICJLVAX-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN CCC[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513317 1131104156 /nfs/dbraw/zinc/10/41/56/1131104156.db2.gz MSYVRODNGUXYFG-INIZCTEOSA-N 0 3 285.387 3.546 20 10 CHCDHN CCC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513317 1131104158 /nfs/dbraw/zinc/10/41/58/1131104158.db2.gz MSYVRODNGUXYFG-INIZCTEOSA-N 0 3 285.387 3.546 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCc2ccccc2[C@H]1C ZINC001237483727 1131104157 /nfs/dbraw/zinc/10/41/57/1131104157.db2.gz RWXKDKXHDJTVLU-CQSZACIVSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCc2ccccc2[C@H]1C ZINC001237483727 1131104161 /nfs/dbraw/zinc/10/41/61/1131104161.db2.gz RWXKDKXHDJTVLU-CQSZACIVSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccccc1C(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000816644370 1131117277 /nfs/dbraw/zinc/11/72/77/1131117277.db2.gz KTXLHJGNZQDNEL-UHFFFAOYSA-N 0 3 273.351 3.865 20 10 CHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC=CC1 ZINC001237642093 1131122933 /nfs/dbraw/zinc/12/29/33/1131122933.db2.gz ZCTJEUJONLOKLF-UHFFFAOYSA-N 0 3 269.319 3.570 20 10 CHCDHN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC001237686832 1131126413 /nfs/dbraw/zinc/12/64/13/1131126413.db2.gz QAZNXMGVZXECAD-AWEZNQCLSA-N 0 3 297.826 3.743 20 10 CHCDHN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC001237686832 1131126414 /nfs/dbraw/zinc/12/64/14/1131126414.db2.gz QAZNXMGVZXECAD-AWEZNQCLSA-N 0 3 297.826 3.743 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC(C)(C)C2)cc1Br ZINC001237679328 1131126512 /nfs/dbraw/zinc/12/65/12/1131126512.db2.gz PLFPWJHGWVRVQK-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC(C)(C)C2)cc1Br ZINC001237679328 1131126515 /nfs/dbraw/zinc/12/65/15/1131126515.db2.gz PLFPWJHGWVRVQK-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c1[O-] ZINC001237687230 1131128721 /nfs/dbraw/zinc/12/87/21/1131128721.db2.gz VVZXADQTPOMNQY-PWSUYJOCSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c1[O-] ZINC001237687230 1131128723 /nfs/dbraw/zinc/12/87/23/1131128723.db2.gz VVZXADQTPOMNQY-PWSUYJOCSA-N 0 3 267.800 3.974 20 10 CHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1CC=CC1 ZINC000817408153 1131158972 /nfs/dbraw/zinc/15/89/72/1131158972.db2.gz FMSOKCALALVVGQ-UHFFFAOYSA-N 0 3 295.382 3.779 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC001238056376 1131165041 /nfs/dbraw/zinc/16/50/41/1131165041.db2.gz HTESCPOZTUKUQX-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC001238056376 1131165043 /nfs/dbraw/zinc/16/50/43/1131165043.db2.gz HTESCPOZTUKUQX-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1[O-] ZINC001238062391 1131166228 /nfs/dbraw/zinc/16/62/28/1131166228.db2.gz PNONNUMUZBVPTL-BBRMVZONSA-N 0 3 277.383 3.994 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1[O-] ZINC001238062391 1131166231 /nfs/dbraw/zinc/16/62/31/1131166231.db2.gz PNONNUMUZBVPTL-BBRMVZONSA-N 0 3 277.383 3.994 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)CCc2cccs2)c1[O-] ZINC001238060420 1131166482 /nfs/dbraw/zinc/16/64/82/1131166482.db2.gz ASYZTFXNYDPNHU-UHFFFAOYSA-N 0 3 279.380 3.576 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)CCc2cccs2)c1[O-] ZINC001238060420 1131166486 /nfs/dbraw/zinc/16/64/86/1131166486.db2.gz ASYZTFXNYDPNHU-UHFFFAOYSA-N 0 3 279.380 3.576 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC001238065818 1131166521 /nfs/dbraw/zinc/16/65/21/1131166521.db2.gz BJUHSKKXESYRQB-IUODEOHRSA-N 0 3 263.356 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC001238065818 1131166524 /nfs/dbraw/zinc/16/65/24/1131166524.db2.gz BJUHSKKXESYRQB-IUODEOHRSA-N 0 3 263.356 3.604 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(F)ccc1[O-] ZINC000817588311 1131173863 /nfs/dbraw/zinc/17/38/63/1131173863.db2.gz DGGBLCCTZKXSOF-VXGBXAGGSA-N 0 3 295.423 3.715 20 10 CHCDHN CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCO1 ZINC000817586755 1131174326 /nfs/dbraw/zinc/17/43/26/1131174326.db2.gz SBNQVSMDPPNXED-BYNQJWBRSA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccccc1[O-] ZINC000817967014 1131193425 /nfs/dbraw/zinc/19/34/25/1131193425.db2.gz CGMFKKMTGLBWLD-YVEFUNNKSA-N 0 3 282.387 3.703 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccccc1[O-] ZINC000817967013 1131194201 /nfs/dbraw/zinc/19/42/01/1131194201.db2.gz CGMFKKMTGLBWLD-SJKOYZFVSA-N 0 3 282.387 3.703 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC(C)(C)CO ZINC000824630041 1131477565 /nfs/dbraw/zinc/47/75/65/1131477565.db2.gz ILXSOOGAFRQMPG-UHFFFAOYSA-N 0 3 299.414 3.510 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC(C)(C)CO ZINC000824630041 1131477567 /nfs/dbraw/zinc/47/75/67/1131477567.db2.gz ILXSOOGAFRQMPG-UHFFFAOYSA-N 0 3 299.414 3.510 20 10 CHCDHN c1cc(N2CCCCC2)ccc1CN1CC2(CCC2)C1 ZINC001138215835 1131478237 /nfs/dbraw/zinc/47/82/37/1131478237.db2.gz XBSUSSBLSFUMFF-UHFFFAOYSA-N 0 3 270.420 3.663 20 10 CHCDHN Cc1c(CN(C)Cc2cccc(O)c2)c2ccccc2n1C ZINC001138252572 1131482464 /nfs/dbraw/zinc/48/24/64/1131482464.db2.gz MFZNJUHRRDGNAV-UHFFFAOYSA-N 0 3 294.398 3.824 20 10 CHCDHN CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])CC1(C)C ZINC000824821300 1131485932 /nfs/dbraw/zinc/48/59/32/1131485932.db2.gz XWENKISOBFXSFX-CQSZACIVSA-N 0 3 297.826 3.601 20 10 CHCDHN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CC1(C)C ZINC000824821300 1131485935 /nfs/dbraw/zinc/48/59/35/1131485935.db2.gz XWENKISOBFXSFX-CQSZACIVSA-N 0 3 297.826 3.601 20 10 CHCDHN Oc1ccccc1CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000825104291 1131495502 /nfs/dbraw/zinc/49/55/02/1131495502.db2.gz SRBKMBWEOTXLAJ-INIZCTEOSA-N 0 3 269.344 3.712 20 10 CHCDHN C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834522362 1131680599 /nfs/dbraw/zinc/68/05/99/1131680599.db2.gz AOKDFOJHLCEYBX-UKPHBRMFSA-N 0 3 289.419 3.564 20 10 CHCDHN C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834526340 1131682011 /nfs/dbraw/zinc/68/20/11/1131682011.db2.gz GYKOGXZEJWQVAM-WBMJQRKESA-N 0 3 285.362 3.739 20 10 CHCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834590831 1131685973 /nfs/dbraw/zinc/68/59/73/1131685973.db2.gz ZIBHQDCQVZNPQD-QGZVFWFLSA-N 0 3 296.414 3.544 20 10 CHCDHN COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834625157 1131688205 /nfs/dbraw/zinc/68/82/05/1131688205.db2.gz UUPOPYUCSXIRLM-HOTGVXAUSA-N 0 3 295.382 3.665 20 10 CHCDHN COc1ccc(C2([NH2+][C@H]3CCc4cccc([O-])c43)CC2)cc1 ZINC000834718419 1131697015 /nfs/dbraw/zinc/69/70/15/1131697015.db2.gz VBNTWOXUALELCP-INIZCTEOSA-N 0 3 295.382 3.667 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000846187593 1131697706 /nfs/dbraw/zinc/69/77/06/1131697706.db2.gz LDWNUOCXJKMDMT-SCLBCKFNSA-N 0 3 289.419 3.556 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@H](c3ccccc3)C1)CC2 ZINC000834790727 1131705218 /nfs/dbraw/zinc/70/52/18/1131705218.db2.gz VDEFTRSLHISLCA-BRWVUGGUSA-N 0 3 279.383 3.915 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000834811901 1131707719 /nfs/dbraw/zinc/70/77/19/1131707719.db2.gz YUXLIZPAFGFEDC-ULQDDVLXSA-N 0 3 279.383 3.773 20 10 CHCDHN CC[C@](C)(C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])OC ZINC000834882552 1131716864 /nfs/dbraw/zinc/71/68/64/1131716864.db2.gz ROUOEGHWQHFCSU-XHDPSFHLSA-N 0 3 285.815 3.820 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000834886220 1131718402 /nfs/dbraw/zinc/71/84/02/1131718402.db2.gz QXKSNJNGMKIPTJ-RLFYNMQTSA-N 0 3 291.435 3.802 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(C)cn1)c1ccc(C)cc1[O-] ZINC000834909076 1131729885 /nfs/dbraw/zinc/72/98/85/1131729885.db2.gz KHMSGOWULFSKBD-KRWDZBQOSA-N 0 3 284.403 3.687 20 10 CHCDHN CN(C)c1ccc(/C=C/CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000835025437 1131758749 /nfs/dbraw/zinc/75/87/49/1131758749.db2.gz VJSMIJQBRIRMEH-OQBYNLHGSA-N 0 3 295.430 3.931 20 10 CHCDHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccn1 ZINC000835033104 1131760661 /nfs/dbraw/zinc/76/06/61/1131760661.db2.gz CKCMZHQIOZXXDL-LFAOLKIESA-N 0 3 281.403 3.512 20 10 CHCDHN C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCC1(F)F ZINC000835052566 1131766715 /nfs/dbraw/zinc/76/67/15/1131766715.db2.gz HGIPBKOSEGXUTD-NNTXTVRGSA-N 0 3 294.389 3.743 20 10 CHCDHN CN(C)c1ccc(CN2CCC23CCCC3)c(Cl)c1 ZINC001140922635 1131962707 /nfs/dbraw/zinc/96/27/07/1131962707.db2.gz XOKMPIZUBHYESJ-UHFFFAOYSA-N 0 3 278.827 3.925 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001140949538 1131970420 /nfs/dbraw/zinc/97/04/20/1131970420.db2.gz CZNXNIUBLISWRE-GOSISDBHSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001140949538 1131970425 /nfs/dbraw/zinc/97/04/25/1131970425.db2.gz CZNXNIUBLISWRE-GOSISDBHSA-N 0 3 297.398 3.744 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140958210 1131972975 /nfs/dbraw/zinc/97/29/75/1131972975.db2.gz UFFVCLHBPQRLIM-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140958210 1131972977 /nfs/dbraw/zinc/97/29/77/1131972977.db2.gz UFFVCLHBPQRLIM-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN COc1ccc([C@H]2CC[N@H+](Cc3ccc(C)cc3[O-])C2)cc1 ZINC001140957688 1131974036 /nfs/dbraw/zinc/97/40/36/1131974036.db2.gz JEISSKCTVRDLMQ-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])C2)cc1 ZINC001140957688 1131974038 /nfs/dbraw/zinc/97/40/38/1131974038.db2.gz JEISSKCTVRDLMQ-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccccc1[O-] ZINC000715697801 1131989839 /nfs/dbraw/zinc/98/98/39/1131989839.db2.gz QLFKQEPUCUHSHK-GXTWGEPZSA-N 0 3 265.422 3.719 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccns1)c1ccccc1[O-] ZINC000715968423 1132000283 /nfs/dbraw/zinc/00/02/83/1132000283.db2.gz VKPYEYKNWFLKFY-PWSUYJOCSA-N 0 3 262.378 3.651 20 10 CHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000037217758 1132023233 /nfs/dbraw/zinc/02/32/33/1132023233.db2.gz KNWMIJWVRKVFFE-ZIAGYGMSSA-N 0 3 269.392 3.559 20 10 CHCDHN C[C@@H](N[C@@H](C)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000037217756 1132023681 /nfs/dbraw/zinc/02/36/81/1132023681.db2.gz KNWMIJWVRKVFFE-KGLIPLIRSA-N 0 3 269.392 3.559 20 10 CHCDHN Cc1cccc2c1CC[C@@H]([N@H+](C)Cc1ccccc1[O-])C2 ZINC001171574871 1132061274 /nfs/dbraw/zinc/06/12/74/1132061274.db2.gz QMJIFDATIWHGSX-QGZVFWFLSA-N 0 3 281.399 3.690 20 10 CHCDHN Cc1cccc2c1CC[C@@H]([N@@H+](C)Cc1ccccc1[O-])C2 ZINC001171574871 1132061279 /nfs/dbraw/zinc/06/12/79/1132061279.db2.gz QMJIFDATIWHGSX-QGZVFWFLSA-N 0 3 281.399 3.690 20 10 CHCDHN Cc1ccc(CC[C@H](C)[NH2+]Cc2cccc(O)c2[O-])cc1 ZINC001171664074 1132072024 /nfs/dbraw/zinc/07/20/24/1132072024.db2.gz REOZTTWDHGVNJZ-AWEZNQCLSA-N 0 3 285.387 3.517 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@](C)(OC)C1CC1)c1ccc(C)cc1[O-] ZINC000840858839 1132296275 /nfs/dbraw/zinc/29/62/75/1132296275.db2.gz GZHIPPALFDWLBD-QANKJYHBSA-N 0 3 291.435 3.945 20 10 CHCDHN COCC1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000840875840 1132300725 /nfs/dbraw/zinc/30/07/25/1132300725.db2.gz JMOZRVBVKLUPLV-QQFBHYJXSA-N 0 3 291.435 3.865 20 10 CHCDHN COC1([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000840883489 1132302934 /nfs/dbraw/zinc/30/29/34/1132302934.db2.gz DIZCIWZZYRJFPR-NEPJUHHUSA-N 0 3 297.826 3.962 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)c2cccnc2)c([O-])c1 ZINC000840892476 1132303832 /nfs/dbraw/zinc/30/38/32/1132303832.db2.gz UBFLVIQEATVXBD-AWEZNQCLSA-N 0 3 284.403 3.724 20 10 CHCDHN COCC[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000840955865 1132313851 /nfs/dbraw/zinc/31/38/51/1132313851.db2.gz YVWLWEHGRMXDIQ-OAHLLOKOSA-N 0 3 299.414 3.821 20 10 CHCDHN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1c(O)ccc2ccccc21 ZINC001231590155 1132318073 /nfs/dbraw/zinc/31/80/73/1132318073.db2.gz NHDWMXBTAITENA-GASCZTMLSA-N 0 3 295.382 3.631 20 10 CHCDHN Cc1cc(C)c(CN2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC001231846861 1132379024 /nfs/dbraw/zinc/37/90/24/1132379024.db2.gz RHJITDDVCYEMOU-IBGZPJMESA-N 0 3 297.398 3.583 20 10 CHCDHN C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1cc(F)ccc1[O-] ZINC000841761319 1132395840 /nfs/dbraw/zinc/39/58/40/1132395840.db2.gz IGVABUIPPXECBW-WFASDCNBSA-N 0 3 295.398 3.513 20 10 CHCDHN [O-]c1cc(O)c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1Cl ZINC001232267798 1132447404 /nfs/dbraw/zinc/44/74/04/1132447404.db2.gz MEMHKEJRXYANLM-BXUZGUMPSA-N 0 3 295.810 3.906 20 10 CHCDHN [O-]c1cc(O)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1Cl ZINC001232267798 1132447405 /nfs/dbraw/zinc/44/74/05/1132447405.db2.gz MEMHKEJRXYANLM-BXUZGUMPSA-N 0 3 295.810 3.906 20 10 CHCDHN CC[N@H+](Cc1ccc(COC)cc1)Cc1ccccc1[O-] ZINC001232302979 1132450599 /nfs/dbraw/zinc/45/05/99/1132450599.db2.gz WWCDEXJVEXOSJG-UHFFFAOYSA-N 0 3 285.387 3.561 20 10 CHCDHN CC[N@@H+](Cc1ccc(COC)cc1)Cc1ccccc1[O-] ZINC001232302979 1132450602 /nfs/dbraw/zinc/45/06/02/1132450602.db2.gz WWCDEXJVEXOSJG-UHFFFAOYSA-N 0 3 285.387 3.561 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000842744549 1132456088 /nfs/dbraw/zinc/45/60/88/1132456088.db2.gz XVNPRUNYASDTSS-UHFFFAOYSA-N 0 3 271.335 3.700 20 10 CHCDHN Cc1cccc(C2([NH2+]Cc3ccccc3[O-])CCC2)c1 ZINC000842745238 1132456722 /nfs/dbraw/zinc/45/67/22/1132456722.db2.gz HDKSBIZSALLFNC-UHFFFAOYSA-N 0 3 267.372 3.870 20 10 CHCDHN Fc1cccc(C2(NCc3ccc4c(c3)CCO4)CCC2)c1 ZINC000842743303 1132456979 /nfs/dbraw/zinc/45/69/79/1132456979.db2.gz DHXQLIJUBSZLGU-UHFFFAOYSA-N 0 3 297.373 3.930 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)CC(F)F)c([O-])c1 ZINC000842892784 1132474238 /nfs/dbraw/zinc/47/42/38/1132474238.db2.gz FFNPPZVBTOXSBV-ZYHUDNBSSA-N 0 3 271.351 3.951 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1-n1cccc1 ZINC001232912457 1132541493 /nfs/dbraw/zinc/54/14/93/1132541493.db2.gz MUWTZHULHNBWCP-UHFFFAOYSA-N 0 3 292.382 3.815 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1-n1cccc1 ZINC001232912457 1132541499 /nfs/dbraw/zinc/54/14/99/1132541499.db2.gz MUWTZHULHNBWCP-UHFFFAOYSA-N 0 3 292.382 3.815 20 10 CHCDHN C[C@@H]1C[C@@H](F)CN1Cc1cc(C(C)(C)C)ccc1O ZINC001233284489 1132595452 /nfs/dbraw/zinc/59/54/52/1132595452.db2.gz WZEFHPWXAFYIOL-BXUZGUMPSA-N 0 3 265.372 3.622 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC001233287885 1132596542 /nfs/dbraw/zinc/59/65/42/1132596542.db2.gz LJLQVHFZKLLPGD-NEPJUHHUSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC001233287885 1132596549 /nfs/dbraw/zinc/59/65/49/1132596549.db2.gz LJLQVHFZKLLPGD-NEPJUHHUSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(CN2CCCCC23CC3)c1O ZINC001233290074 1132597831 /nfs/dbraw/zinc/59/78/31/1132597831.db2.gz HATNAHNWXZKFLB-UHFFFAOYSA-N 0 3 281.783 3.573 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCCC23CC3)c1[O-] ZINC001233290074 1132597833 /nfs/dbraw/zinc/59/78/33/1132597833.db2.gz HATNAHNWXZKFLB-UHFFFAOYSA-N 0 3 281.783 3.573 20 10 CHCDHN CCOc1cccc(CN2CCCC[C@@](C)(F)C2)c1O ZINC001203602406 1133343526 /nfs/dbraw/zinc/34/35/26/1133343526.db2.gz VCPPUKGPPZBRLZ-MRXNPFEDSA-N 0 3 281.371 3.505 20 10 CHCDHN CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(O)cc1[O-] ZINC001204277353 1133426832 /nfs/dbraw/zinc/42/68/32/1133426832.db2.gz BCKPHGAMJRXTBF-UHFFFAOYSA-N 0 3 291.778 3.773 20 10 CHCDHN CC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(O)cc1[O-] ZINC001204277353 1133426835 /nfs/dbraw/zinc/42/68/35/1133426835.db2.gz BCKPHGAMJRXTBF-UHFFFAOYSA-N 0 3 291.778 3.773 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CC(C)C)C2)c([O-])c1 ZINC001204580182 1133464113 /nfs/dbraw/zinc/46/41/13/1133464113.db2.gz MWWGCDTUBUXCET-HNNXBMFYSA-N 0 3 261.409 3.959 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c([O-])c1 ZINC001204580182 1133464115 /nfs/dbraw/zinc/46/41/15/1133464115.db2.gz MWWGCDTUBUXCET-HNNXBMFYSA-N 0 3 261.409 3.959 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001204961962 1133507979 /nfs/dbraw/zinc/50/79/79/1133507979.db2.gz YFSOGHVOCKUOSA-BPUTZDHNSA-N 0 3 259.393 3.711 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001204961962 1133507981 /nfs/dbraw/zinc/50/79/81/1133507981.db2.gz YFSOGHVOCKUOSA-BPUTZDHNSA-N 0 3 259.393 3.711 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c([O-])c1 ZINC001204960503 1133508548 /nfs/dbraw/zinc/50/85/48/1133508548.db2.gz BKWKRMORVLXZSM-MRXNPFEDSA-N 0 3 297.398 3.602 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c([O-])c1 ZINC001204960503 1133508552 /nfs/dbraw/zinc/50/85/52/1133508552.db2.gz BKWKRMORVLXZSM-MRXNPFEDSA-N 0 3 297.398 3.602 20 10 CHCDHN CC[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H]1C ZINC001205471620 1133579738 /nfs/dbraw/zinc/57/97/38/1133579738.db2.gz OTMBQXDEVIWDIE-NEPJUHHUSA-N 0 3 282.378 3.651 20 10 CHCDHN C[C@@H](CCCC(C)(C)O)CC[N@H+](C)Cc1ccccc1[O-] ZINC001207677923 1133837603 /nfs/dbraw/zinc/83/76/03/1133837603.db2.gz ADRMTFQDWNLJJL-HNNXBMFYSA-N 0 3 293.451 3.791 20 10 CHCDHN C[C@@H](CCCC(C)(C)O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC001207677923 1133837610 /nfs/dbraw/zinc/83/76/10/1133837610.db2.gz ADRMTFQDWNLJJL-HNNXBMFYSA-N 0 3 293.451 3.791 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000179552722 1134549181 /nfs/dbraw/zinc/54/91/81/1134549181.db2.gz CSQLEPMTCKLBOC-UHFFFAOYSA-N 0 3 265.356 3.682 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000179552722 1134549187 /nfs/dbraw/zinc/54/91/87/1134549187.db2.gz CSQLEPMTCKLBOC-UHFFFAOYSA-N 0 3 265.356 3.682 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000020122034 171002062 /nfs/dbraw/zinc/00/20/62/171002062.db2.gz NOMRHAPEOJGYNU-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c(CN[C@H](C)c2ccc(Cl)cc2)c1 ZINC000020122034 171002063 /nfs/dbraw/zinc/00/20/63/171002063.db2.gz NOMRHAPEOJGYNU-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1cccc(CN[C@@H](C)c2ccccc2Cl)c1O ZINC000020124048 171005881 /nfs/dbraw/zinc/00/58/81/171005881.db2.gz YFAOJTMFNCEUPF-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCCC1)c1ccccc1[O-] ZINC000020200859 171065035 /nfs/dbraw/zinc/06/50/35/171065035.db2.gz ICJJXKUDPNNBEQ-IAGOWNOFSA-N 0 3 290.451 3.553 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000020209665 171073428 /nfs/dbraw/zinc/07/34/28/171073428.db2.gz SODVBUYTUZOTGU-LLVKDONJSA-N 0 3 261.752 3.896 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cccnc2)c1 ZINC000035628821 172307941 /nfs/dbraw/zinc/30/79/41/172307941.db2.gz ZJIXYQGASNQNNS-CHWSQXEVSA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2cccnc2)c1 ZINC000035628821 172307943 /nfs/dbraw/zinc/30/79/43/172307943.db2.gz ZJIXYQGASNQNNS-CHWSQXEVSA-N 0 3 256.349 3.507 20 10 CHCDHN COc1ccc(CN[C@H](C)c2cccc(O)c2)cc1C ZINC000037319287 260087231 /nfs/dbraw/zinc/08/72/31/260087231.db2.gz GBOKKNRKXQFRGL-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2cccs2)c1 ZINC000035628678 260152169 /nfs/dbraw/zinc/15/21/69/260152169.db2.gz MYZZWMAXUQJMDU-LBPRGKRZSA-N 0 3 261.390 3.655 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](OC)c1ccccc1)c1ccccc1[O-] ZINC000155259415 261099846 /nfs/dbraw/zinc/09/98/46/261099846.db2.gz XFVTUFBZVOBTMR-FUHWJXTLSA-N 0 3 285.387 3.821 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccccc1[O-] ZINC000155679867 261106085 /nfs/dbraw/zinc/10/60/85/261106085.db2.gz WTLYUUOENBRCRN-NVXWUHKLSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccc1[O-] ZINC000155983887 261111202 /nfs/dbraw/zinc/11/12/02/261111202.db2.gz COXIKLJYSOTAPO-QZTJIDSGSA-N 0 3 299.414 3.947 20 10 CHCDHN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160985487 261233320 /nfs/dbraw/zinc/23/33/20/261233320.db2.gz KSNCTSNJLCIZGI-HNAYVOBHSA-N 0 3 298.430 3.527 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC[C@H](SC)C2)c1 ZINC000185483866 262056331 /nfs/dbraw/zinc/05/63/31/262056331.db2.gz QHIBNKLCLCGPRY-BZPMIXESSA-N 0 3 295.448 3.726 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)c([O-])c1 ZINC000185532647 262058822 /nfs/dbraw/zinc/05/88/22/262058822.db2.gz ADPXLEZRADDGSH-MAUKXSAKSA-N 0 3 299.414 3.865 20 10 CHCDHN COC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000186034941 262076036 /nfs/dbraw/zinc/07/60/36/262076036.db2.gz WSCIRYJZTHGHLW-PBHICJAKSA-N 0 3 285.387 3.739 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1ccccc1[O-] ZINC000186127344 262080971 /nfs/dbraw/zinc/08/09/71/262080971.db2.gz QOZSRGOEINITQY-DYVFJYSZSA-N 0 3 285.387 3.686 20 10 CHCDHN COc1cc(F)cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000186217103 262084518 /nfs/dbraw/zinc/08/45/18/262084518.db2.gz YQJVBEOALFYJRJ-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]Cc2cccc(C)c2)c1[O-] ZINC000228670301 329058920 /nfs/dbraw/zinc/05/89/20/329058920.db2.gz ONNWBYFOFWVFIJ-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN COCCC1CC[NH+]([C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000527931103 330297400 /nfs/dbraw/zinc/29/74/00/330297400.db2.gz BLQVLCFROGWVRX-CQSZACIVSA-N 0 3 277.408 3.510 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000527935763 330298058 /nfs/dbraw/zinc/29/80/58/330298058.db2.gz ZAMULROARGXSMU-GOEBONIOSA-N 0 3 277.408 3.558 20 10 CHCDHN Cc1ncccc1C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000527987250 330298860 /nfs/dbraw/zinc/29/88/60/330298860.db2.gz NKDQGZFBSMASBR-AWEZNQCLSA-N 0 3 296.414 3.825 20 10 CHCDHN Cc1ncccc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000527987250 330298861 /nfs/dbraw/zinc/29/88/61/330298861.db2.gz NKDQGZFBSMASBR-AWEZNQCLSA-N 0 3 296.414 3.825 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NC2CC(F)(F)C2)cc1 ZINC000277046455 520286507 /nfs/dbraw/zinc/28/65/07/520286507.db2.gz GPDOYCBAOVMOTQ-NSHDSACASA-N 0 3 268.351 3.591 20 10 CHCDHN CCCCN1CCC([NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000037150149 520576086 /nfs/dbraw/zinc/57/60/86/520576086.db2.gz DLWBCTWYZFUOQO-QGZVFWFLSA-N 0 3 290.451 3.697 20 10 CHCDHN CCOc1ccc(O)c(CN[C@@H]2CCCc3occc32)c1 ZINC000237088704 521154119 /nfs/dbraw/zinc/15/41/19/521154119.db2.gz AKAHIWCBVRNWSV-OAHLLOKOSA-N 0 3 287.359 3.551 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000037679467 521370784 /nfs/dbraw/zinc/37/07/84/521370784.db2.gz CGAVFTBJFUHISM-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000280299736 522631833 /nfs/dbraw/zinc/63/18/33/522631833.db2.gz ZUVUGYZEDHBEHZ-DZKIICNBSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccccc1[O-] ZINC000365077517 522638010 /nfs/dbraw/zinc/63/80/10/522638010.db2.gz KRIMDFAGQXSYCM-SZMVWBNQSA-N 0 3 289.419 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccccc1[O-] ZINC000290192291 522691912 /nfs/dbraw/zinc/69/19/12/522691912.db2.gz GADHXXDAFZINNR-QANKJYHBSA-N 0 3 285.387 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000290192296 522735133 /nfs/dbraw/zinc/73/51/33/522735133.db2.gz GADHXXDAFZINNR-SKDZVZGDSA-N 0 3 285.387 3.555 20 10 CHCDHN CC[C@@H]([NH2+]CCCc1ccccn1)c1ccc(C)cc1[O-] ZINC000280130237 522831018 /nfs/dbraw/zinc/83/10/18/522831018.db2.gz OWVACXFWYLZUAC-QGZVFWFLSA-N 0 3 284.403 3.769 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000280075634 522927533 /nfs/dbraw/zinc/92/75/33/522927533.db2.gz LJMHBNUNYGGRNA-UKRRQHHQSA-N 0 3 277.408 3.699 20 10 CHCDHN COCc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617742 523056202 /nfs/dbraw/zinc/05/62/02/523056202.db2.gz YYJKPXCJYPOYIP-GFCCVEGCSA-N 0 3 289.350 3.529 20 10 CHCDHN COc1ccc(C)cc1[C@@H](C)NCc1cc(C)ccc1O ZINC000071407391 523853382 /nfs/dbraw/zinc/85/33/82/523853382.db2.gz IUQIHBMVDAUUDJ-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(Cl)nc2)c([O-])c1 ZINC000293252024 524333976 /nfs/dbraw/zinc/33/39/76/524333976.db2.gz BPSBDXZWYRCACN-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN COc1ccc(O)c(CNC(C)(C)c2ccccc2F)c1 ZINC000292835839 524749385 /nfs/dbraw/zinc/74/93/85/524749385.db2.gz RSQWGLUBIFDVEY-UHFFFAOYSA-N 0 3 289.350 3.565 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)c2cc(C)sc2C)c1 ZINC000037122791 524753312 /nfs/dbraw/zinc/75/33/12/524753312.db2.gz KXVRSURSVHCOKB-NSHDSACASA-N 0 3 291.416 3.930 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1C ZINC000127445509 525314908 /nfs/dbraw/zinc/31/49/08/525314908.db2.gz UXAGYJRFKCGBCP-MRXNPFEDSA-N 0 3 270.376 3.674 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1C ZINC000127445509 525314915 /nfs/dbraw/zinc/31/49/15/525314915.db2.gz UXAGYJRFKCGBCP-MRXNPFEDSA-N 0 3 270.376 3.674 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000281074177 525732282 /nfs/dbraw/zinc/73/22/82/525732282.db2.gz IOIMNMCHAAOMLS-NEPJUHHUSA-N 0 3 269.335 3.787 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000049577366 525927568 /nfs/dbraw/zinc/92/75/68/525927568.db2.gz SXWHPEUAXXTUQG-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000273503370 525938468 /nfs/dbraw/zinc/93/84/68/525938468.db2.gz QMXILWBGWYPVMH-VBQJREDUSA-N 0 3 291.435 3.945 20 10 CHCDHN CSc1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000020146135 526003914 /nfs/dbraw/zinc/00/39/14/526003914.db2.gz YNWSGZKAOXMLMP-UHFFFAOYSA-N 0 3 286.444 3.764 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000037680358 526036799 /nfs/dbraw/zinc/03/67/99/526036799.db2.gz SICCFRDAAXWHPS-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cccc(C[NH2+][C@H](c2ccccc2)C(C)C)c1[O-] ZINC000036967631 526040146 /nfs/dbraw/zinc/04/01/46/526040146.db2.gz GVQVECYXKLDKBR-KRWDZBQOSA-N 0 3 285.387 3.888 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000279936481 526374632 /nfs/dbraw/zinc/37/46/32/526374632.db2.gz YMHSRCOTQQERMV-INIZCTEOSA-N 0 3 271.335 3.699 20 10 CHCDHN c1cc2c(s1)CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000061360212 526444781 /nfs/dbraw/zinc/44/47/81/526444781.db2.gz PQNHNZVWMMFUFX-HNNXBMFYSA-N 0 3 285.412 3.850 20 10 CHCDHN Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000290340333 526521528 /nfs/dbraw/zinc/52/15/28/526521528.db2.gz FJCDBQSYCBLQDD-MRXNPFEDSA-N 0 3 299.418 3.849 20 10 CHCDHN Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000290340333 526521539 /nfs/dbraw/zinc/52/15/39/526521539.db2.gz FJCDBQSYCBLQDD-MRXNPFEDSA-N 0 3 299.418 3.849 20 10 CHCDHN CCC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000708466419 1121464337 /nfs/dbraw/zinc/46/43/37/1121464337.db2.gz HSDTULNTLZNRRT-LBPRGKRZSA-N 0 3 251.345 3.543 20 10 CHCDHN CCC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000708466419 1121464345 /nfs/dbraw/zinc/46/43/45/1121464345.db2.gz HSDTULNTLZNRRT-LBPRGKRZSA-N 0 3 251.345 3.543 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1[O-] ZINC000797127928 1121845434 /nfs/dbraw/zinc/84/54/34/1121845434.db2.gz HOGHVZRBVGBDAM-GMOODISLSA-N 0 3 298.224 3.912 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000896952170 1123792792 /nfs/dbraw/zinc/79/27/92/1123792792.db2.gz VCBCXNJZKVCBTE-CYBMUJFWSA-N 0 3 277.433 3.609 20 10 CHCDHN CCCC[C@H](COC)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794801678 1123950261 /nfs/dbraw/zinc/95/02/61/1123950261.db2.gz KDKMYNOKASONGL-ZBFHGGJFSA-N 0 3 279.424 3.947 20 10 CHCDHN CCc1ccc(C[NH2+]Cc2c(C)cccc2[O-])s1 ZINC000876930588 1124991763 /nfs/dbraw/zinc/99/17/63/1124991763.db2.gz BKWCOAQPUVRYOQ-UHFFFAOYSA-N 0 3 261.390 3.614 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)c1[O-] ZINC000842928825 1132477724 /nfs/dbraw/zinc/47/77/24/1132477724.db2.gz LTXWLLBKQZJTDO-KWBADKCTSA-N 0 3 285.840 3.899 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000134483871 1125563522 /nfs/dbraw/zinc/56/35/22/1125563522.db2.gz XCWZCJLRIRLVMI-UHFFFAOYSA-N 0 3 271.335 3.567 20 10 CHCDHN COc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000093480741 1125610729 /nfs/dbraw/zinc/61/07/29/1125610729.db2.gz WYOFZMLOLXOPHQ-CZUORRHYSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000093480741 1125610731 /nfs/dbraw/zinc/61/07/31/1125610731.db2.gz WYOFZMLOLXOPHQ-CZUORRHYSA-N 0 3 275.392 3.555 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1cc(F)ccc1[O-] ZINC000886731100 1125715180 /nfs/dbraw/zinc/71/51/80/1125715180.db2.gz UZTVSOKTRJJNEM-JSGCOSHPSA-N 0 3 293.382 3.531 20 10 CHCDHN CN(C)c1ccc(CN2CCC(C(F)(F)F)CC2)cc1 ZINC000179962449 1126836474 /nfs/dbraw/zinc/83/64/74/1126836474.db2.gz QBDGEKKCSKPJPB-UHFFFAOYSA-N 0 3 286.341 3.527 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000183292285 1126884751 /nfs/dbraw/zinc/88/47/51/1126884751.db2.gz OZHJUSXATHSIIS-QGZVFWFLSA-N 0 3 282.387 3.905 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000183292285 1126884754 /nfs/dbraw/zinc/88/47/54/1126884754.db2.gz OZHJUSXATHSIIS-QGZVFWFLSA-N 0 3 282.387 3.905 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccccc1[O-] ZINC000183345231 1126885457 /nfs/dbraw/zinc/88/54/57/1126885457.db2.gz XTLADCMNRDSMEZ-QGZVFWFLSA-N 0 3 298.386 3.592 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1[O-] ZINC000183466056 1126887690 /nfs/dbraw/zinc/88/76/90/1126887690.db2.gz LDOXOMPBHXQCNG-MEDUHNTESA-N 0 3 271.335 3.869 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2cn3c(cccc3C)n2)c1 ZINC000185412370 1126899678 /nfs/dbraw/zinc/89/96/78/1126899678.db2.gz GYQOTCVJKPIETN-CQSZACIVSA-N 0 3 295.386 3.508 20 10 CHCDHN COCCC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CCCC1 ZINC000185747386 1126902071 /nfs/dbraw/zinc/90/20/71/1126902071.db2.gz UXPKSZKKMSVKTL-OAHLLOKOSA-N 0 3 291.435 3.948 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccccc1[O-] ZINC000187889937 1126916687 /nfs/dbraw/zinc/91/66/87/1126916687.db2.gz JIFSWMOEHAFFKU-IEBWSBKVSA-N 0 3 299.414 3.731 20 10 CHCDHN CC[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C(C)C ZINC001237118736 1131052994 /nfs/dbraw/zinc/05/29/94/1131052994.db2.gz AVKDLVCZLZDGTQ-UHFFFAOYSA-N 0 3 277.286 3.521 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(CF)CC2)c1[O-] ZINC001237685154 1131126343 /nfs/dbraw/zinc/12/63/43/1131126343.db2.gz AOULRHLOCGZVQQ-UHFFFAOYSA-N 0 3 271.763 3.536 20 10 CHCDHN COC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000287675552 1127312031 /nfs/dbraw/zinc/31/20/31/1127312031.db2.gz MLGDCQMKQOACDS-SFHVURJKSA-N 0 3 298.430 3.538 20 10 CHCDHN CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000226565490 1127411842 /nfs/dbraw/zinc/41/18/42/1127411842.db2.gz MICXBYINGAQXOB-GFCCVEGCSA-N 0 3 251.345 3.543 20 10 CHCDHN CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000226565490 1127411844 /nfs/dbraw/zinc/41/18/44/1127411844.db2.gz MICXBYINGAQXOB-GFCCVEGCSA-N 0 3 251.345 3.543 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCSC2)c([O-])c1 ZINC000294008514 1127541981 /nfs/dbraw/zinc/54/19/81/1127541981.db2.gz DENOTHUTCZRINO-UONOGXRCSA-N 0 3 279.449 3.803 20 10 CHCDHN CCc1nc(C)c(CN[C@@H](C)c2c(C)cc(C)cc2O)o1 ZINC000294050250 1127545618 /nfs/dbraw/zinc/54/56/18/1127545618.db2.gz GQJTWTRJUYBYQV-ZDUSSCGKSA-N 0 3 288.391 3.719 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC2CCCCC2)c1[O-] ZINC000228669033 1127582701 /nfs/dbraw/zinc/58/27/01/1127582701.db2.gz DCEASULXEKRZEI-UHFFFAOYSA-N 0 3 283.799 3.724 20 10 CHCDHN CC[C@@H]([NH2+]CCCc1ncccc1C)c1ccccc1[O-] ZINC000295087199 1127619788 /nfs/dbraw/zinc/61/97/88/1127619788.db2.gz SQZMINFDYJKZTK-MRXNPFEDSA-N 0 3 284.403 3.769 20 10 CHCDHN C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[O-] ZINC000295094373 1127619828 /nfs/dbraw/zinc/61/98/28/1127619828.db2.gz UFQDSKBQSVPTJX-PWSUYJOCSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[O-] ZINC000295094373 1127619831 /nfs/dbraw/zinc/61/98/31/1127619831.db2.gz UFQDSKBQSVPTJX-PWSUYJOCSA-N 0 3 273.298 3.555 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000295783843 1127652589 /nfs/dbraw/zinc/65/25/89/1127652589.db2.gz ADELAVWGYDJSFU-GXFFZTMASA-N 0 3 288.416 3.538 20 10 CHCDHN CCOc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295877587 1127656482 /nfs/dbraw/zinc/65/64/82/1127656482.db2.gz HNJDATDHVBFFHR-OAHLLOKOSA-N 0 3 283.371 3.568 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000296275598 1127667365 /nfs/dbraw/zinc/66/73/65/1127667365.db2.gz CKIFILYDWWRDMR-GWCFXTLKSA-N 0 3 288.416 3.538 20 10 CHCDHN Oc1cccc2c1[C@@H](NCc1ccc(Cl)cc1F)CC2 ZINC000296409351 1127671080 /nfs/dbraw/zinc/67/10/80/1127671080.db2.gz KVFRRFHFSFVPCZ-AWEZNQCLSA-N 0 3 291.753 3.962 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCc2ncccc2C)c([O-])c1 ZINC000296530631 1127674606 /nfs/dbraw/zinc/67/46/06/1127674606.db2.gz QIYGVQYHQYLARJ-OAHLLOKOSA-N 0 3 284.403 3.687 20 10 CHCDHN CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000296800215 1127683175 /nfs/dbraw/zinc/68/31/75/1127683175.db2.gz LMSXLKQUJIULNX-ARFHVFGLSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCOc3ccccc31)CC2 ZINC000297728162 1127705589 /nfs/dbraw/zinc/70/55/89/1127705589.db2.gz NMWDDQPQDXLONA-CVEARBPZSA-N 0 3 295.382 3.883 20 10 CHCDHN CSc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000171926600 1127734827 /nfs/dbraw/zinc/73/48/27/1127734827.db2.gz MYRLGHDIABVAKY-UHFFFAOYSA-N 0 3 273.401 3.746 20 10 CHCDHN CSc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000171926600 1127734830 /nfs/dbraw/zinc/73/48/30/1127734830.db2.gz MYRLGHDIABVAKY-UHFFFAOYSA-N 0 3 273.401 3.746 20 10 CHCDHN CO[C@]1(C)CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000230300065 1127751194 /nfs/dbraw/zinc/75/11/94/1127751194.db2.gz DSFLHUOTDLQUBX-GOSISDBHSA-N 0 3 285.387 3.546 20 10 CHCDHN CO[C@]1(C)CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000230300065 1127751197 /nfs/dbraw/zinc/75/11/97/1127751197.db2.gz DSFLHUOTDLQUBX-GOSISDBHSA-N 0 3 285.387 3.546 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C2CC2)C2CC2)c([O-])c1 ZINC000088455750 1127938368 /nfs/dbraw/zinc/93/83/68/1127938368.db2.gz BGCXUJPTRLIXNB-GFCCVEGCSA-N 0 3 259.393 3.787 20 10 CHCDHN C[C@H](N[C@@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000927056759 1128212200 /nfs/dbraw/zinc/21/22/00/1128212200.db2.gz WZXVEDDHPSITEE-KBXCAEBGSA-N 0 3 295.430 3.876 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccccc1[O-] ZINC000927063274 1128213048 /nfs/dbraw/zinc/21/30/48/1128213048.db2.gz BQANYLZZEHAJLR-CVEARBPZSA-N 0 3 282.387 3.906 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccccc1[O-] ZINC000927069901 1128215518 /nfs/dbraw/zinc/21/55/18/1128215518.db2.gz ODOTZMVWJSCACP-ZVZYQTTQSA-N 0 3 289.419 3.638 20 10 CHCDHN CC[C@@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1ccccc1[O-] ZINC000927071352 1128215776 /nfs/dbraw/zinc/21/57/76/1128215776.db2.gz RUWOGLPKVKMNEG-WBVHZDCISA-N 0 3 287.407 3.564 20 10 CHCDHN CC1(C)C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C(C)(C)O1 ZINC000927099381 1128217492 /nfs/dbraw/zinc/21/74/92/1128217492.db2.gz NDIIRQDXZMNLKY-ZIAGYGMSSA-N 0 3 289.419 3.563 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cc(F)ccc1[O-] ZINC000927127211 1128220973 /nfs/dbraw/zinc/22/09/73/1128220973.db2.gz GOAVHEHNQXMPRE-TZMCWYRMSA-N 0 3 293.382 3.674 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)c2c1c(F)ccc2[O-] ZINC000762776127 1128317670 /nfs/dbraw/zinc/31/76/70/1128317670.db2.gz CWGSATOMNRNBJG-BDJLRTHQSA-N 0 3 297.373 3.837 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C(C)C)C2CC2)c1[O-] ZINC000324570092 1128386954 /nfs/dbraw/zinc/38/69/54/1128386954.db2.gz VAEYBPIZIWWYOF-AWEZNQCLSA-N 0 3 283.799 3.578 20 10 CHCDHN C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000780792574 1128420996 /nfs/dbraw/zinc/42/09/96/1128420996.db2.gz HPAIRVOVCTYCRM-GXSJLCMTSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000780792574 1128420999 /nfs/dbraw/zinc/42/09/99/1128420999.db2.gz HPAIRVOVCTYCRM-GXSJLCMTSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1cc(F)ccc1[O-] ZINC000699962103 1128537234 /nfs/dbraw/zinc/53/72/34/1128537234.db2.gz VWCYQXNBOGUOPT-VIFPVBQESA-N 0 3 275.314 3.863 20 10 CHCDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1C ZINC000042203105 1128568563 /nfs/dbraw/zinc/56/85/63/1128568563.db2.gz PMTMNZBINNEUDQ-ZDUSSCGKSA-N 0 3 299.370 3.583 20 10 CHCDHN CCO[C@H](CC[NH2+][C@H](CC)c1ccccc1[O-])C(C)C ZINC000156164837 1128628754 /nfs/dbraw/zinc/62/87/54/1128628754.db2.gz MOOSWOKYJLMMEE-NVXWUHKLSA-N 0 3 279.424 3.884 20 10 CHCDHN Cc1ccc(C2=CC[N@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000778994048 1128674773 /nfs/dbraw/zinc/67/47/73/1128674773.db2.gz GKYBHQZXYPXBKF-UHFFFAOYSA-N 0 3 279.383 3.990 20 10 CHCDHN Cc1ccc(C2=CC[N@@H+](Cc3ccccc3[O-])CC2)cc1 ZINC000778994048 1128674775 /nfs/dbraw/zinc/67/47/75/1128674775.db2.gz GKYBHQZXYPXBKF-UHFFFAOYSA-N 0 3 279.383 3.990 20 10 CHCDHN COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])c1 ZINC000779000418 1128675508 /nfs/dbraw/zinc/67/55/08/1128675508.db2.gz VJTRIJDFFQEVOJ-QGZVFWFLSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])c1 ZINC000779000418 1128675511 /nfs/dbraw/zinc/67/55/11/1128675511.db2.gz VJTRIJDFFQEVOJ-QGZVFWFLSA-N 0 3 297.398 3.608 20 10 CHCDHN CC[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019864 1128683555 /nfs/dbraw/zinc/68/35/55/1128683555.db2.gz IYQUAMUGJPOUQG-OAHLLOKOSA-N 0 3 251.345 3.543 20 10 CHCDHN CC[C@]1(C)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019864 1128683558 /nfs/dbraw/zinc/68/35/58/1128683558.db2.gz IYQUAMUGJPOUQG-OAHLLOKOSA-N 0 3 251.345 3.543 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CC=CC2)c1[O-] ZINC000779026836 1128688471 /nfs/dbraw/zinc/68/84/71/1128688471.db2.gz GQKOFKQISRHRBQ-JTQLQIEISA-N 0 3 296.208 3.832 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1coc2ccccc12 ZINC000779081343 1128723926 /nfs/dbraw/zinc/72/39/26/1128723926.db2.gz SAYMGXOLGJFZPA-UHFFFAOYSA-N 0 3 271.291 3.567 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c([O-])c1 ZINC000325009456 1117782562 /nfs/dbraw/zinc/78/25/62/1117782562.db2.gz CEFXDSTWFCIBTE-YVEFUNNKSA-N 0 3 259.393 3.930 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c([O-])c1 ZINC000185405176 1117818504 /nfs/dbraw/zinc/81/85/04/1117818504.db2.gz NRMDKDGYETVXCZ-HUUCEWRRSA-N 0 3 297.398 3.918 20 10 CHCDHN Cn1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1 ZINC000748099437 1118059927 /nfs/dbraw/zinc/05/99/27/1118059927.db2.gz VRHDHRIJDMNGKI-UHFFFAOYSA-N 0 3 292.382 3.688 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1Cl ZINC000179889335 1118080674 /nfs/dbraw/zinc/08/06/74/1118080674.db2.gz QBOAQYLTYKYSJF-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000764979623 1118127997 /nfs/dbraw/zinc/12/79/97/1118127997.db2.gz HILWVLMUIDOIFV-UHFFFAOYSA-N 0 3 293.313 3.628 20 10 CHCDHN COc1cccc(O)c1CNCc1ccc(C(F)F)cc1 ZINC000764979623 1118127998 /nfs/dbraw/zinc/12/79/98/1118127998.db2.gz HILWVLMUIDOIFV-UHFFFAOYSA-N 0 3 293.313 3.628 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(C)cc1[O-] ZINC000842929647 1118170244 /nfs/dbraw/zinc/17/02/44/1118170244.db2.gz PLRZZYMKWXPDDU-KWCYVHTRSA-N 0 3 265.422 3.635 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(C)cc1[O-] ZINC000842929648 1118170425 /nfs/dbraw/zinc/17/04/25/1118170425.db2.gz PLRZZYMKWXPDDU-UBHSHLNASA-N 0 3 265.422 3.635 20 10 CHCDHN CCOc1ccccc1C[N@H+](CC)Cc1ccccc1[O-] ZINC001203543878 1118189383 /nfs/dbraw/zinc/18/93/83/1118189383.db2.gz JFEDLDCJQYYRFT-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCOc1ccccc1C[N@@H+](CC)Cc1ccccc1[O-] ZINC001203543878 1118189386 /nfs/dbraw/zinc/18/93/86/1118189386.db2.gz JFEDLDCJQYYRFT-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN C[C@H](c1ccccc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179887390 1128765204 /nfs/dbraw/zinc/76/52/04/1128765204.db2.gz PULPDWBYLMSJHT-GFCCVEGCSA-N 0 3 259.324 3.724 20 10 CHCDHN C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179887390 1128765207 /nfs/dbraw/zinc/76/52/07/1128765207.db2.gz PULPDWBYLMSJHT-GFCCVEGCSA-N 0 3 259.324 3.724 20 10 CHCDHN CCC(CC)[N@H+](Cc1ccc(OC)c(OC)c1[O-])C1CC1 ZINC000891596813 1118719868 /nfs/dbraw/zinc/71/98/68/1118719868.db2.gz XTTMTPRVWQONKN-UHFFFAOYSA-N 0 3 293.407 3.562 20 10 CHCDHN CCC(CC)[N@@H+](Cc1ccc(OC)c(OC)c1[O-])C1CC1 ZINC000891596813 1118719870 /nfs/dbraw/zinc/71/98/70/1118719870.db2.gz XTTMTPRVWQONKN-UHFFFAOYSA-N 0 3 293.407 3.562 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])[C@H]1CCCOC1 ZINC000723990762 1118797154 /nfs/dbraw/zinc/79/71/54/1118797154.db2.gz TYMHFOXNBRNMEA-YCPHGPKFSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@H]1CCCOC1 ZINC000723990991 1118797972 /nfs/dbraw/zinc/79/79/72/1118797972.db2.gz YGNUPKRMNGBRLX-IMJJTQAJSA-N 0 3 277.408 3.638 20 10 CHCDHN CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000308764870 1118898165 /nfs/dbraw/zinc/89/81/65/1118898165.db2.gz ZXICWGYDPKQRAI-ZDUSSCGKSA-N 0 3 265.397 3.556 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000226561858 1119157400 /nfs/dbraw/zinc/15/74/00/1119157400.db2.gz LPMLKPNHKOSOPK-CHWSQXEVSA-N 0 3 263.356 3.543 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000226561858 1119157402 /nfs/dbraw/zinc/15/74/02/1119157402.db2.gz LPMLKPNHKOSOPK-CHWSQXEVSA-N 0 3 263.356 3.543 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1[O-] ZINC000051016584 1119361080 /nfs/dbraw/zinc/36/10/80/1119361080.db2.gz ZEMUNUIEIIEOCT-OAHLLOKOSA-N 0 3 277.314 3.911 20 10 CHCDHN Cc1cccc(CC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000051668879 1119641406 /nfs/dbraw/zinc/64/14/06/1119641406.db2.gz RIJPMSNRKFWBNK-AWEZNQCLSA-N 0 3 255.361 3.594 20 10 CHCDHN COCC[N@@H+](Cc1c([O-])ccc2ccccc21)CC(C)C ZINC000073585862 1120041761 /nfs/dbraw/zinc/04/17/61/1120041761.db2.gz KPSLYGKRPULABY-UHFFFAOYSA-N 0 3 287.403 3.650 20 10 CHCDHN COCC[N@H+](Cc1c([O-])ccc2ccccc21)CC(C)C ZINC000073585862 1120041766 /nfs/dbraw/zinc/04/17/66/1120041766.db2.gz KPSLYGKRPULABY-UHFFFAOYSA-N 0 3 287.403 3.650 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2F)c1 ZINC000107929075 1120062370 /nfs/dbraw/zinc/06/23/70/1120062370.db2.gz LZPKBXHJVOVVEJ-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN CO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CCCCC1 ZINC000695159886 1120125538 /nfs/dbraw/zinc/12/55/38/1120125538.db2.gz HHEXYGLCFPWORI-CXAGYDPISA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H](NCc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000921774702 1120207595 /nfs/dbraw/zinc/20/75/95/1120207595.db2.gz AJWDCISMFQADSW-KRWDZBQOSA-N 0 3 282.387 3.648 20 10 CHCDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1cn[nH]c1 ZINC000271461001 1120253818 /nfs/dbraw/zinc/25/38/18/1120253818.db2.gz HJKONTUCBAHXAP-HUUCEWRRSA-N 0 3 298.434 3.812 20 10 CHCDHN Cc1nc(C(C)(C)NCc2cc(C)ccc2O)sc1C ZINC000076904613 1120300753 /nfs/dbraw/zinc/30/07/53/1120300753.db2.gz HVWVDWQXHYFSKJ-UHFFFAOYSA-N 0 3 290.432 3.799 20 10 CHCDHN CC[C@H](NCc1cncc(C)c1)c1ccc(N(C)C)cc1 ZINC000181837470 1128906690 /nfs/dbraw/zinc/90/66/90/1128906690.db2.gz KZFZGVOOBSLXHQ-SFHVURJKSA-N 0 3 283.419 3.697 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000186774503 1120405361 /nfs/dbraw/zinc/40/53/61/1120405361.db2.gz KFVPHEQKXAUTGC-CMPLNLGQSA-N 0 3 276.405 3.611 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c([O-])c1 ZINC000186824187 1120406115 /nfs/dbraw/zinc/40/61/15/1120406115.db2.gz YZMQTROSMSTNHR-YXJHDRRASA-N 0 3 291.435 3.945 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1F)c1ccccc1[O-] ZINC000019950291 1120550015 /nfs/dbraw/zinc/55/00/15/1120550015.db2.gz TWJLIAFOQSLKIE-OAHLLOKOSA-N 0 3 259.324 3.772 20 10 CHCDHN CCC[N@@H+](Cc1cccc(OCC)c1[O-])CC(C)C ZINC000311411170 1120619063 /nfs/dbraw/zinc/61/90/63/1120619063.db2.gz IPYXEEIQAFBHMT-UHFFFAOYSA-N 0 3 265.397 3.659 20 10 CHCDHN CCC[N@H+](Cc1cccc(OCC)c1[O-])CC(C)C ZINC000311411170 1120619064 /nfs/dbraw/zinc/61/90/64/1120619064.db2.gz IPYXEEIQAFBHMT-UHFFFAOYSA-N 0 3 265.397 3.659 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186828067 1120674810 /nfs/dbraw/zinc/67/48/10/1120674810.db2.gz KKMPOWITWFIEHI-NUTKFTJISA-N 0 3 295.398 3.776 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(C)c(C)n2)c1 ZINC000314352808 1120933340 /nfs/dbraw/zinc/93/33/40/1120933340.db2.gz WIASFLMRXAYCAW-AWEZNQCLSA-N 0 3 270.376 3.563 20 10 CHCDHN C[C@H]([NH2+]CCOC1CCCCC1)c1cc(F)ccc1[O-] ZINC000094618227 1121086156 /nfs/dbraw/zinc/08/61/56/1121086156.db2.gz BQXCQDDDOUQMKN-LBPRGKRZSA-N 0 3 281.371 3.531 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC2CC(C)(C)C2)c1[O-] ZINC000706493504 1121432420 /nfs/dbraw/zinc/43/24/20/1121432420.db2.gz HBAYMWVRDPDHSP-UHFFFAOYSA-N 0 3 283.799 3.580 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1[O-] ZINC000709662003 1121468838 /nfs/dbraw/zinc/46/88/38/1121468838.db2.gz HGBKLWSGVCRMPH-OLZOCXBDSA-N 0 3 277.408 3.637 20 10 CHCDHN COc1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1C ZINC000923025721 1121513947 /nfs/dbraw/zinc/51/39/47/1121513947.db2.gz OAOWWCBYMJYQLF-IBGZPJMESA-N 0 3 297.398 3.791 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000711458537 1121536551 /nfs/dbraw/zinc/53/65/51/1121536551.db2.gz XNCNFHDMQAIDLC-ZFWWWQNUSA-N 0 3 275.392 3.535 20 10 CHCDHN CCC[N@H+](CCc1cccs1)Cc1ccccc1[O-] ZINC000727830916 1121750906 /nfs/dbraw/zinc/75/09/06/1121750906.db2.gz VJAPRBCORLIFNU-UHFFFAOYSA-N 0 3 275.417 3.908 20 10 CHCDHN CCC[N@@H+](CCc1cccs1)Cc1ccccc1[O-] ZINC000727830916 1121750912 /nfs/dbraw/zinc/75/09/12/1121750912.db2.gz VJAPRBCORLIFNU-UHFFFAOYSA-N 0 3 275.417 3.908 20 10 CHCDHN CCN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000773809111 1121863697 /nfs/dbraw/zinc/86/36/97/1121863697.db2.gz NLIGAPVBWKUNTI-CYBMUJFWSA-N 0 3 286.341 3.527 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)c1ccccc1[O-] ZINC001179494339 1121885131 /nfs/dbraw/zinc/88/51/31/1121885131.db2.gz PSTCSPHYDVFSSR-YOEHRIQHSA-N 0 3 281.399 3.990 20 10 CHCDHN CCC[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732819902 1121940779 /nfs/dbraw/zinc/94/07/79/1121940779.db2.gz BXFPVPSAFLLEHJ-LJQANCHMSA-N 0 3 299.414 3.700 20 10 CHCDHN C[N@H+](Cc1ccc2c(c1)CCCC2)Cc1ccccc1[O-] ZINC001180240076 1121968269 /nfs/dbraw/zinc/96/82/69/1121968269.db2.gz SYIBIURADOPCME-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN C[N@@H+](Cc1ccc2c(c1)CCCC2)Cc1ccccc1[O-] ZINC001180240076 1121968272 /nfs/dbraw/zinc/96/82/72/1121968272.db2.gz SYIBIURADOPCME-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001204278285 1122009100 /nfs/dbraw/zinc/00/91/00/1122009100.db2.gz CXHIYAIFXZVJAJ-AWEZNQCLSA-N 0 3 275.392 3.500 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001204278285 1122009094 /nfs/dbraw/zinc/00/90/94/1122009094.db2.gz CXHIYAIFXZVJAJ-AWEZNQCLSA-N 0 3 275.392 3.500 20 10 CHCDHN COc1cc(C)c(C[NH2+]CCC(C)(C)C2CC2)c([O-])c1 ZINC001182087480 1122108090 /nfs/dbraw/zinc/10/80/90/1122108090.db2.gz QGISERMSCPUJKI-UHFFFAOYSA-N 0 3 277.408 3.625 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000192749851 1129033924 /nfs/dbraw/zinc/03/39/24/1129033924.db2.gz AVIIXEVAVDUYQA-OLZOCXBDSA-N 0 3 299.370 3.841 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccccc1[O-] ZINC000271758384 1122173885 /nfs/dbraw/zinc/17/38/85/1122173885.db2.gz ZAXMZFYYTJPUJB-INIZCTEOSA-N 0 3 284.403 3.699 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000272249110 1122196396 /nfs/dbraw/zinc/19/63/96/1122196396.db2.gz HWMKTRGLSYPKHE-AWEZNQCLSA-N 0 3 259.374 3.791 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000272249110 1122196398 /nfs/dbraw/zinc/19/63/98/1122196398.db2.gz HWMKTRGLSYPKHE-AWEZNQCLSA-N 0 3 259.374 3.791 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cn3ccccc3n2)c(O)c1C ZINC000273303095 1122227993 /nfs/dbraw/zinc/22/79/93/1122227993.db2.gz CBMYRGCMXWRNGO-CQSZACIVSA-N 0 3 295.386 3.508 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2cn3cc(C)ccc3n2)c1 ZINC000273618329 1122240786 /nfs/dbraw/zinc/24/07/86/1122240786.db2.gz YETOZGQKLCDYHF-AWEZNQCLSA-N 0 3 295.386 3.508 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c1[O-] ZINC001203602258 1122302642 /nfs/dbraw/zinc/30/26/42/1122302642.db2.gz LSTGZLFKRPTXRI-KBPBESRZSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c1[O-] ZINC001203602258 1122302648 /nfs/dbraw/zinc/30/26/48/1122302648.db2.gz LSTGZLFKRPTXRI-KBPBESRZSA-N 0 3 277.408 3.659 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183345797 1129047051 /nfs/dbraw/zinc/04/70/51/1129047051.db2.gz AODRSZYNFYMBQN-INIZCTEOSA-N 0 3 291.341 3.954 20 10 CHCDHN COc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001203621248 1122350106 /nfs/dbraw/zinc/35/01/06/1122350106.db2.gz QGZNDNGRAILZLZ-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN COc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001203621248 1122350110 /nfs/dbraw/zinc/35/01/10/1122350110.db2.gz QGZNDNGRAILZLZ-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1ccccc1[O-] ZINC000183402515 1129051009 /nfs/dbraw/zinc/05/10/09/1129051009.db2.gz SVLZGOLUGASRJC-CQSZACIVSA-N 0 3 267.372 3.775 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000183514189 1129059428 /nfs/dbraw/zinc/05/94/28/1129059428.db2.gz XJGCZCLLONZOOY-HOTGVXAUSA-N 0 3 296.414 3.712 20 10 CHCDHN Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183534517 1129060994 /nfs/dbraw/zinc/06/09/94/1129060994.db2.gz PQYHTDDFJCKIMF-LSDHHAIUSA-N 0 3 285.387 3.819 20 10 CHCDHN CC[C@@H]([NH2+]C1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775484700 1122616803 /nfs/dbraw/zinc/61/68/03/1122616803.db2.gz HNQAKHWIJAISKN-OAHLLOKOSA-N 0 3 296.842 3.571 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCCC[C@H]1C)c1ccccc1[O-] ZINC000775492755 1122622237 /nfs/dbraw/zinc/62/22/37/1122622237.db2.gz QLVIMIPPUIHBDE-INMHGKMJSA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@H]([NH2+]CCOc1ccccc1C)c1ccccc1[O-] ZINC000775498318 1122629018 /nfs/dbraw/zinc/62/90/18/1122629018.db2.gz YJJBZAIHPGHNBP-INIZCTEOSA-N 0 3 285.387 3.820 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)cc1C)c1ccccc1[O-] ZINC000775522452 1122639700 /nfs/dbraw/zinc/63/97/00/1122639700.db2.gz PSBNUMCNEJEHTR-QGZVFWFLSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1ccccc1[O-] ZINC000775524496 1122642619 /nfs/dbraw/zinc/64/26/19/1122642619.db2.gz APNUEOUFYRDOHK-KBPBESRZSA-N 0 3 291.416 3.536 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc2C1)c1ccccc1[O-] ZINC001168407187 1122733441 /nfs/dbraw/zinc/73/34/41/1122733441.db2.gz NAFJPCSGNKHPBN-BLLLJJGKSA-N 0 3 285.362 3.739 20 10 CHCDHN Cc1cc2cc(C[NH2+][C@H]3CCc4cccc([O-])c43)ccc2[nH]1 ZINC000297309295 1122793630 /nfs/dbraw/zinc/79/36/30/1122793630.db2.gz MTEJWVYXPNJTHJ-KRWDZBQOSA-N 0 3 292.382 3.959 20 10 CHCDHN Cc1ccc(CN(Cc2cccc(C)c2O)C2CC2)o1 ZINC000775648285 1122856427 /nfs/dbraw/zinc/85/64/27/1122856427.db2.gz CVTXXHFYHJFASF-UHFFFAOYSA-N 0 3 271.360 3.767 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000775652513 1122868952 /nfs/dbraw/zinc/86/89/52/1122868952.db2.gz MGSFZNURFKTNIZ-NSHDSACASA-N 0 3 255.789 3.830 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000775652513 1122868956 /nfs/dbraw/zinc/86/89/56/1122868956.db2.gz MGSFZNURFKTNIZ-NSHDSACASA-N 0 3 255.789 3.830 20 10 CHCDHN CCN(Cc1ccoc1)Cc1cc(Cl)cc(C)c1O ZINC000775674497 1122893260 /nfs/dbraw/zinc/89/32/60/1122893260.db2.gz FGKOJAMQDLPMAO-UHFFFAOYSA-N 0 3 279.767 3.969 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+](C)CCC2CC2)c1[O-] ZINC000775738738 1122930375 /nfs/dbraw/zinc/93/03/75/1122930375.db2.gz ITSSELKIFSIQIA-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+](C)CCC2CC2)c1[O-] ZINC000775738738 1122930377 /nfs/dbraw/zinc/93/03/77/1122930377.db2.gz ITSSELKIFSIQIA-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN C[C@H](CO)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776002602 1123035647 /nfs/dbraw/zinc/03/56/47/1123035647.db2.gz GGWQZZKIGGHXHD-HOTGVXAUSA-N 0 3 299.414 3.584 20 10 CHCDHN C[C@H](CO)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776002602 1123035654 /nfs/dbraw/zinc/03/56/54/1123035654.db2.gz GGWQZZKIGGHXHD-HOTGVXAUSA-N 0 3 299.414 3.584 20 10 CHCDHN Cc1cccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1O ZINC000776024911 1123041106 /nfs/dbraw/zinc/04/11/06/1123041106.db2.gz ZVDBXACNYQXJJY-SWLSCSKDSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1cc(Cl)cc(CN[C@@H](C)c2ccccn2)c1O ZINC000776071650 1123051948 /nfs/dbraw/zinc/05/19/48/1123051948.db2.gz ZILMMRYBTUXTLP-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccn2)c1[O-] ZINC000776071650 1123051953 /nfs/dbraw/zinc/05/19/53/1123051953.db2.gz ZILMMRYBTUXTLP-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000134225850 1123157262 /nfs/dbraw/zinc/15/72/62/1123157262.db2.gz WQBCPDNHGMVDTL-OAHLLOKOSA-N 0 3 259.374 3.695 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000850393604 1123261619 /nfs/dbraw/zinc/26/16/19/1123261619.db2.gz VEISYUCXNUUKRZ-DZFIZOCASA-N 0 3 279.383 3.947 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc2c(c1)CCCO2 ZINC000850429475 1123266425 /nfs/dbraw/zinc/26/64/25/1123266425.db2.gz FCKZSNPWJRBTOP-CYBMUJFWSA-N 0 3 283.371 3.568 20 10 CHCDHN COC1CC(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000850483478 1123274623 /nfs/dbraw/zinc/27/46/23/1123274623.db2.gz XXYSFEZUTVESFI-DCBWTQNWSA-N 0 3 297.826 3.820 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850510675 1123278339 /nfs/dbraw/zinc/27/83/39/1123278339.db2.gz WEXZPLARJXEVSE-CMPLNLGQSA-N 0 3 296.208 3.832 20 10 CHCDHN CC[C@@H]([NH2+]CCC(C)(C)F)c1ccc(C)cc1[O-] ZINC000850531609 1123285285 /nfs/dbraw/zinc/28/52/85/1123285285.db2.gz LCGIUZZKINNIFR-CYBMUJFWSA-N 0 3 253.361 3.880 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(C)cc1[O-] ZINC000850530585 1123285314 /nfs/dbraw/zinc/28/53/14/1123285314.db2.gz ZZQQAKACHAVTQC-LNLFQRSKSA-N 0 3 297.398 3.920 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C(C)(C)C)c1[O-] ZINC000169087091 1123286840 /nfs/dbraw/zinc/28/68/40/1123286840.db2.gz GNXUUFDIJFXBBE-SECBINFHSA-N 0 3 271.788 3.578 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)c2c1c(F)ccc2[O-] ZINC000850552671 1123289788 /nfs/dbraw/zinc/28/97/88/1123289788.db2.gz PJDRAUJCGFZEMJ-HLUHBDAQSA-N 0 3 299.336 3.961 20 10 CHCDHN CC[C@@H]([NH2+]CCCc1ccco1)c1ccc(C)cc1[O-] ZINC000850570284 1123294333 /nfs/dbraw/zinc/29/43/33/1123294333.db2.gz TYHFSFAJRLKMIA-MRXNPFEDSA-N 0 3 273.376 3.967 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1C ZINC000850578320 1123296305 /nfs/dbraw/zinc/29/63/05/1123296305.db2.gz KOVDRMXISSKIBW-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN CC(C)Oc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000109771982 1123326325 /nfs/dbraw/zinc/32/63/25/1123326325.db2.gz SZWPTPGEUONHBO-UHFFFAOYSA-N 0 3 285.387 3.811 20 10 CHCDHN CC(C)Oc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000109771982 1123326328 /nfs/dbraw/zinc/32/63/28/1123326328.db2.gz SZWPTPGEUONHBO-UHFFFAOYSA-N 0 3 285.387 3.811 20 10 CHCDHN CC(C)Oc1ccccc1CN(C)Cc1ccccc1O ZINC000109772042 1123326494 /nfs/dbraw/zinc/32/64/94/1123326494.db2.gz AKSIFAJNSJYBNY-UHFFFAOYSA-N 0 3 285.387 3.811 20 10 CHCDHN CC[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCS1 ZINC001204769371 1123424969 /nfs/dbraw/zinc/42/49/69/1123424969.db2.gz SZRHVJWAALEWMG-KEGWNNHHSA-N 0 3 290.476 3.593 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCc2ccccc21 ZINC000111235619 1123432392 /nfs/dbraw/zinc/43/23/92/1123432392.db2.gz PAPFUWNUIVRQLZ-KRWDZBQOSA-N 0 3 267.372 3.902 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCc2ccccc21 ZINC000111235619 1123432393 /nfs/dbraw/zinc/43/23/93/1123432393.db2.gz PAPFUWNUIVRQLZ-KRWDZBQOSA-N 0 3 267.372 3.902 20 10 CHCDHN CC[C@@H]([NH2+]CCOC1CCCCC1)c1ccccc1[O-] ZINC000111636073 1123457697 /nfs/dbraw/zinc/45/76/97/1123457697.db2.gz DCRDBMHKFMPCDL-MRXNPFEDSA-N 0 3 277.408 3.782 20 10 CHCDHN CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783526223 1123493366 /nfs/dbraw/zinc/49/33/66/1123493366.db2.gz UQKDSLNOPYZTCO-QWHCGFSZSA-N 0 3 270.376 3.761 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c([O-])c1 ZINC000895824428 1123518935 /nfs/dbraw/zinc/51/89/35/1123518935.db2.gz YVGRBCWSEPQAFE-QGZVFWFLSA-N 0 3 289.419 3.530 20 10 CHCDHN CCN(CC)c1ccc(CN(C)Cc2ccnc(C)c2)cc1 ZINC000856720108 1123566284 /nfs/dbraw/zinc/56/62/84/1123566284.db2.gz XLNWEZCKLCFPFN-UHFFFAOYSA-N 0 3 297.446 3.868 20 10 CHCDHN Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000896804358 1123626690 /nfs/dbraw/zinc/62/66/90/1123626690.db2.gz UULPFMQEHIELFJ-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C1CCCC1 ZINC000194570473 1129135482 /nfs/dbraw/zinc/13/54/82/1129135482.db2.gz BBWUGFRMDCDJQB-UHFFFAOYSA-N 0 3 277.408 3.770 20 10 CHCDHN C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C1CCCC1 ZINC000194570473 1129135483 /nfs/dbraw/zinc/13/54/83/1129135483.db2.gz BBWUGFRMDCDJQB-UHFFFAOYSA-N 0 3 277.408 3.770 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccccc1[O-] ZINC000858452527 1123655379 /nfs/dbraw/zinc/65/53/79/1123655379.db2.gz FHJPMVOPZNTLSV-FUHWJXTLSA-N 0 3 297.398 3.574 20 10 CHCDHN Cc1cc(Cl)nc(CN[C@H](C)c2ccccc2O)c1 ZINC000281930957 1123750788 /nfs/dbraw/zinc/75/07/88/1123750788.db2.gz AYFWZUMPNMOUJJ-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794793528 1123950265 /nfs/dbraw/zinc/95/02/65/1123950265.db2.gz OWPGJYWEWYFRHD-WBVHZDCISA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])C1CCOCC1 ZINC000794805613 1123955663 /nfs/dbraw/zinc/95/56/63/1123955663.db2.gz XWHSDGDQYFVWKB-SJORKVTESA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@@H]([NH2+]CCOCC1CCC1)c1ccc(C)cc1[O-] ZINC000794812708 1123957433 /nfs/dbraw/zinc/95/74/33/1123957433.db2.gz FCWKVIQAKDTFHP-MRXNPFEDSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794817107 1123959771 /nfs/dbraw/zinc/95/97/71/1123959771.db2.gz MYHXOYXZTZMCPZ-NVXWUHKLSA-N 0 3 291.435 3.538 20 10 CHCDHN CC(C)(C)OC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000865697839 1124005938 /nfs/dbraw/zinc/00/59/38/1124005938.db2.gz GAASVRPAOBRLAR-UHFFFAOYSA-N 0 3 277.408 3.608 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000866477535 1124070216 /nfs/dbraw/zinc/07/02/16/1124070216.db2.gz BAXUBSYRJCUZJZ-CYBMUJFWSA-N 0 3 259.349 3.761 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2c(C)cc(C)cc2O)o1 ZINC000866478939 1124071253 /nfs/dbraw/zinc/07/12/53/1124071253.db2.gz OGBNWAKFPZWBOJ-ZDUSSCGKSA-N 0 3 259.349 3.761 20 10 CHCDHN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000866491475 1124072830 /nfs/dbraw/zinc/07/28/30/1124072830.db2.gz RWQGTOCNMZXTJZ-YMRXKLBXSA-N 0 3 293.382 3.530 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccccc1[O-] ZINC000866528950 1124078243 /nfs/dbraw/zinc/07/82/43/1124078243.db2.gz KVBGSSJPSRJZDH-ZBFHGGJFSA-N 0 3 289.419 3.640 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000037679356 1129165214 /nfs/dbraw/zinc/16/52/14/1129165214.db2.gz PPGIWFGXJCJIHO-ZDUSSCGKSA-N 0 3 271.360 3.642 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC4(CCC4)C3)c2c1 ZINC000121863788 1124104051 /nfs/dbraw/zinc/10/40/51/1124104051.db2.gz GFGAHSLHVACPGF-UHFFFAOYSA-N 0 3 297.398 3.930 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC4(CCC4)C3)c2c1 ZINC000121863788 1124104053 /nfs/dbraw/zinc/10/40/53/1124104053.db2.gz GFGAHSLHVACPGF-UHFFFAOYSA-N 0 3 297.398 3.930 20 10 CHCDHN Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(N)cc2)s1 ZINC001120263178 1131273621 /nfs/dbraw/zinc/27/36/21/1131273621.db2.gz LMCVIQYCFDRSCH-LLVKDONJSA-N 0 3 275.421 3.535 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872259635 1124699562 /nfs/dbraw/zinc/69/95/62/1124699562.db2.gz ZLCPRBVJJWNQQC-INIZCTEOSA-N 0 3 289.419 3.624 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872259635 1124699564 /nfs/dbraw/zinc/69/95/64/1124699564.db2.gz ZLCPRBVJJWNQQC-INIZCTEOSA-N 0 3 289.419 3.624 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CNc3ccccc31)CC2 ZINC000873238273 1124754415 /nfs/dbraw/zinc/75/44/15/1124754415.db2.gz YWYXDRDEDIKEOW-RHSMWYFYSA-N 0 3 294.398 3.569 20 10 CHCDHN CCCC[N@H+](CCOC1CCC1)Cc1ccccc1[O-] ZINC000805756215 1131309467 /nfs/dbraw/zinc/30/94/67/1131309467.db2.gz VKXDPNCBMXDYEN-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCC[N@@H+](CCOC1CCC1)Cc1ccccc1[O-] ZINC000805756215 1131309469 /nfs/dbraw/zinc/30/94/69/1131309469.db2.gz VKXDPNCBMXDYEN-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccco2)c([O-])c1 ZINC000020145202 1124808756 /nfs/dbraw/zinc/80/87/56/1124808756.db2.gz FKCDXODLXFUTFN-KBPBESRZSA-N 0 3 273.376 3.966 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc(F)c2C1)c1ccccc1[O-] ZINC001170956514 1131314210 /nfs/dbraw/zinc/31/42/10/1131314210.db2.gz XEZQHNPLHODIAC-TZMCWYRMSA-N 0 3 285.362 3.739 20 10 CHCDHN CCC(CC)[C@@H](C[NH2+][C@H](CC)c1ccccc1[O-])N(C)C ZINC000021036370 1124893110 /nfs/dbraw/zinc/89/31/10/1124893110.db2.gz WHNCVMAIPKREHR-IAGOWNOFSA-N 0 3 292.467 3.799 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)c([O-])c1 ZINC000876660617 1124968955 /nfs/dbraw/zinc/96/89/55/1124968955.db2.gz WDJQDWUEDRBANR-UHFFFAOYSA-N 0 3 289.419 3.624 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000876884543 1124986543 /nfs/dbraw/zinc/98/65/43/1124986543.db2.gz CNNNMOUKAFHTTQ-KRWDZBQOSA-N 0 3 267.372 3.868 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)c([O-])c1 ZINC000877008573 1124996696 /nfs/dbraw/zinc/99/66/96/1124996696.db2.gz NCKFWNWPURTFFI-SCLBCKFNSA-N 0 3 267.372 3.724 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)c([O-])c1 ZINC000877083288 1125006686 /nfs/dbraw/zinc/00/66/86/1125006686.db2.gz LANRXNQMXHIZJK-CYBMUJFWSA-N 0 3 273.351 3.999 20 10 CHCDHN CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])CCO1 ZINC000877166460 1125017396 /nfs/dbraw/zinc/01/73/96/1125017396.db2.gz AMKCOMKIADTRMF-AEFFLSMTSA-N 0 3 291.435 3.774 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000877697859 1125064077 /nfs/dbraw/zinc/06/40/77/1125064077.db2.gz OKGGLPCTSGIWJB-QGZVFWFLSA-N 0 3 289.419 3.530 20 10 CHCDHN CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877757632 1125074473 /nfs/dbraw/zinc/07/44/73/1125074473.db2.gz PBHIDNUGCHXHRW-HBUWYVDXSA-N 0 3 285.387 3.819 20 10 CHCDHN Cc1cc(F)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757191 1125074541 /nfs/dbraw/zinc/07/45/41/1125074541.db2.gz MVMRNVQAWAWCIT-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757422 1125075601 /nfs/dbraw/zinc/07/56/01/1125075601.db2.gz ZWHUSXBOVCQUOV-RYUDHWBXSA-N 0 3 267.438 3.963 20 10 CHCDHN C[C@H]([NH2+]Cc1cccnc1C(F)(F)F)c1ccccc1[O-] ZINC000879649736 1125222688 /nfs/dbraw/zinc/22/26/88/1125222688.db2.gz FNICGEMOVWUYSQ-JTQLQIEISA-N 0 3 296.292 3.657 20 10 CHCDHN CCOc1cccc(C[N@H+](C)C2CCCCC2)c1[O-] ZINC000131745937 1125409713 /nfs/dbraw/zinc/40/97/13/1125409713.db2.gz JYCREZMNDVZKEP-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)C2CCCCC2)c1[O-] ZINC000131745937 1125409716 /nfs/dbraw/zinc/40/97/16/1125409716.db2.gz JYCREZMNDVZKEP-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1[O-] ZINC000132827763 1125423936 /nfs/dbraw/zinc/42/39/36/1125423936.db2.gz WRZODKRRTKYNDN-HNNXBMFYSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H]2C2CCCC2)c1[O-] ZINC000132827763 1125423937 /nfs/dbraw/zinc/42/39/37/1125423937.db2.gz WRZODKRRTKYNDN-HNNXBMFYSA-N 0 3 275.392 3.555 20 10 CHCDHN CN(C)c1ccc(CNCc2coc3ccccc23)cc1F ZINC000734003932 1129291214 /nfs/dbraw/zinc/29/12/14/1129291214.db2.gz AZSCAEMDPODJAE-UHFFFAOYSA-N 0 3 298.361 3.928 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000248386174 1129415690 /nfs/dbraw/zinc/41/56/90/1129415690.db2.gz LNVZEIOCELZUAP-LSDHHAIUSA-N 0 3 290.451 3.553 20 10 CHCDHN C[C@H](NCc1ccc(F)cc1F)c1cc(F)ccc1O ZINC000094618059 1129448276 /nfs/dbraw/zinc/44/82/76/1129448276.db2.gz FUDDDHUNXGLQGU-VIFPVBQESA-N 0 3 281.277 3.660 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000094616908 1129448325 /nfs/dbraw/zinc/44/83/25/1129448325.db2.gz WKEMXMMNQUXFMF-CHWSQXEVSA-N 0 3 273.351 3.986 20 10 CHCDHN CCC[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccccc1[O-] ZINC000795927850 1129457112 /nfs/dbraw/zinc/45/71/12/1129457112.db2.gz ZSOOJUPQFJKNNK-LJQANCHMSA-N 0 3 299.414 3.728 20 10 CHCDHN CCC[N@@H+](CC[C@@H](O)c1ccccc1)Cc1ccccc1[O-] ZINC000795927850 1129457115 /nfs/dbraw/zinc/45/71/15/1129457115.db2.gz ZSOOJUPQFJKNNK-LJQANCHMSA-N 0 3 299.414 3.728 20 10 CHCDHN Cc1ccc(O)c(CNCc2cccc(Cl)c2F)c1 ZINC000742388564 1129473922 /nfs/dbraw/zinc/47/39/22/1129473922.db2.gz YDFUQTXUVVVWHB-UHFFFAOYSA-N 0 3 279.742 3.783 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000742378732 1129476168 /nfs/dbraw/zinc/47/61/68/1129476168.db2.gz LIXKBBCSGYQMNB-SQWLQELKSA-N 0 3 289.419 3.849 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1[O-] ZINC000253093277 1129610033 /nfs/dbraw/zinc/61/00/33/1129610033.db2.gz IFLUVVTVPFGWLX-HZSPNIEDSA-N 0 3 277.408 3.657 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1[O-] ZINC000253093277 1129610035 /nfs/dbraw/zinc/61/00/35/1129610035.db2.gz IFLUVVTVPFGWLX-HZSPNIEDSA-N 0 3 277.408 3.657 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC000380325624 1129739331 /nfs/dbraw/zinc/73/93/31/1129739331.db2.gz PMUZFXYLQIISTB-VXGBXAGGSA-N 0 3 295.810 3.676 20 10 CHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCc2sccc21 ZINC000767190843 1129780697 /nfs/dbraw/zinc/78/06/97/1129780697.db2.gz PXKUBFCNCXIKKX-CYBMUJFWSA-N 0 3 289.400 3.630 20 10 CHCDHN CC(C)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768141267 1129835869 /nfs/dbraw/zinc/83/58/69/1129835869.db2.gz UPADBVRUTPAGSS-UHFFFAOYSA-N 0 3 255.361 3.899 20 10 CHCDHN CC(C)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768141267 1129835874 /nfs/dbraw/zinc/83/58/74/1129835874.db2.gz UPADBVRUTPAGSS-UHFFFAOYSA-N 0 3 255.361 3.899 20 10 CHCDHN CCOc1ccc(C[N@H+](CC)Cc2ccccc2)c([O-])c1 ZINC000768140802 1129836509 /nfs/dbraw/zinc/83/65/09/1129836509.db2.gz KYZDHKREBKRSSR-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCOc1ccc(C[N@@H+](CC)Cc2ccccc2)c([O-])c1 ZINC000768140802 1129836512 /nfs/dbraw/zinc/83/65/12/1129836512.db2.gz KYZDHKREBKRSSR-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CCC(C)(C)C2CC2)c1[O-] ZINC000381333375 1129837095 /nfs/dbraw/zinc/83/70/95/1129837095.db2.gz XRGSFFYKINULML-UHFFFAOYSA-N 0 3 297.826 3.970 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000768197844 1129843857 /nfs/dbraw/zinc/84/38/57/1129843857.db2.gz XYNFUCKHVDLRPG-CYBMUJFWSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000768197844 1129843863 /nfs/dbraw/zinc/84/38/63/1129843863.db2.gz XYNFUCKHVDLRPG-CYBMUJFWSA-N 0 3 283.371 3.520 20 10 CHCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2ccccn2)c1 ZINC000768360214 1129853817 /nfs/dbraw/zinc/85/38/17/1129853817.db2.gz LEYMMPBUIZNXCM-KRWDZBQOSA-N 0 3 298.386 3.523 20 10 CHCDHN COc1cccc([O-])c1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000769209806 1129896323 /nfs/dbraw/zinc/89/63/23/1129896323.db2.gz VBYSPBFJPKIWSH-UHFFFAOYSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC000769349707 1129903805 /nfs/dbraw/zinc/90/38/05/1129903805.db2.gz DIAISQYTJXGGGL-CQSZACIVSA-N 0 3 297.398 3.910 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC000769349707 1129903807 /nfs/dbraw/zinc/90/38/07/1129903807.db2.gz DIAISQYTJXGGGL-CQSZACIVSA-N 0 3 297.398 3.910 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1[O-] ZINC000801527377 1129924526 /nfs/dbraw/zinc/92/45/26/1129924526.db2.gz AFYHNNHDZZRAMS-ZBFHGGJFSA-N 0 3 289.419 3.925 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[C@@H](C)O1 ZINC000801594583 1129931327 /nfs/dbraw/zinc/93/13/27/1129931327.db2.gz GUKJFJLTGAGNIT-GDBMZVCRSA-N 0 3 277.408 3.562 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC[C@@H](C)O1 ZINC000801594583 1129931329 /nfs/dbraw/zinc/93/13/29/1129931329.db2.gz GUKJFJLTGAGNIT-GDBMZVCRSA-N 0 3 277.408 3.562 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCCO1 ZINC000801596014 1129932161 /nfs/dbraw/zinc/93/21/61/1129932161.db2.gz ZBGKZNVZIHMPDF-MRXNPFEDSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCCO1 ZINC000801596014 1129932164 /nfs/dbraw/zinc/93/21/64/1129932164.db2.gz ZBGKZNVZIHMPDF-MRXNPFEDSA-N 0 3 277.408 3.563 20 10 CHCDHN COC(C)(C)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000770316948 1129944457 /nfs/dbraw/zinc/94/44/57/1129944457.db2.gz GWZDHZPRJLHLSE-UHFFFAOYSA-N 0 3 299.414 3.916 20 10 CHCDHN COC(C)(C)C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000770316948 1129944460 /nfs/dbraw/zinc/94/44/60/1129944460.db2.gz GWZDHZPRJLHLSE-UHFFFAOYSA-N 0 3 299.414 3.916 20 10 CHCDHN COc1c(Cl)cccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000903245821 1130135972 /nfs/dbraw/zinc/13/59/72/1130135972.db2.gz JHQWAOYWLOSBGX-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccccc1[O-] ZINC000903337539 1130161798 /nfs/dbraw/zinc/16/17/98/1130161798.db2.gz DUOHKGNOIDCJOT-PXAZEXFGSA-N 0 3 268.360 3.589 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)CC2 ZINC000903339761 1130162650 /nfs/dbraw/zinc/16/26/50/1130162650.db2.gz CWZILQKZPLDUNX-AAEUAGOBSA-N 0 3 281.346 3.795 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccncc2)C2CC2)c([O-])c1 ZINC000903430340 1130176856 /nfs/dbraw/zinc/17/68/56/1130176856.db2.gz YVRZPRCEBZMVLC-FZKQIMNGSA-N 0 3 282.387 3.898 20 10 CHCDHN CSC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000788604473 1130197499 /nfs/dbraw/zinc/19/74/99/1130197499.db2.gz AUQDBBVFBAGDDV-ZYHUDNBSSA-N 0 3 295.423 3.955 20 10 CHCDHN COc1c2ccccc2oc1CNCc1cccc(C)c1O ZINC000789583906 1130261009 /nfs/dbraw/zinc/26/10/09/1130261009.db2.gz KSCMKSBVVLDEHE-UHFFFAOYSA-N 0 3 297.354 3.745 20 10 CHCDHN C[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792794237 1130498120 /nfs/dbraw/zinc/49/81/20/1130498120.db2.gz XVZVQQOKESSJKN-NSHDSACASA-N 0 3 286.341 3.613 20 10 CHCDHN CN(C)c1ccc(CN2C3CCC2CC3)c(C(F)(F)F)c1 ZINC000792778418 1130498229 /nfs/dbraw/zinc/49/82/29/1130498229.db2.gz RDSSIHNGFWFZEI-UHFFFAOYSA-N 0 3 298.352 3.898 20 10 CHCDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000793527196 1130563665 /nfs/dbraw/zinc/56/36/65/1130563665.db2.gz ONKSATVOXKOEGZ-MORSLUCNSA-N 0 3 297.398 3.683 20 10 CHCDHN CC[C@@H](C)[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658207 1130669809 /nfs/dbraw/zinc/66/98/09/1130669809.db2.gz XOQPXDNRAUHMBL-CVEARBPZSA-N 0 3 290.451 3.642 20 10 CHCDHN C[C@H]1COCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234989291 1130700065 /nfs/dbraw/zinc/70/00/65/1130700065.db2.gz CGRDVGSKNPPXME-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN C[C@H]1COCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234989291 1130700069 /nfs/dbraw/zinc/70/00/69/1130700069.db2.gz CGRDVGSKNPPXME-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN CC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCOC1 ZINC000812780472 1130713058 /nfs/dbraw/zinc/71/30/58/1130713058.db2.gz FTNDXXFVYYIOKD-SFHVURJKSA-N 0 3 297.398 3.670 20 10 CHCDHN CC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCOC1 ZINC000812780472 1130713062 /nfs/dbraw/zinc/71/30/62/1130713062.db2.gz FTNDXXFVYYIOKD-SFHVURJKSA-N 0 3 297.398 3.670 20 10 CHCDHN CC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H](C)OC ZINC000812806951 1130719314 /nfs/dbraw/zinc/71/93/14/1130719314.db2.gz AQUGKQWQHLQWJA-OAHLLOKOSA-N 0 3 299.414 3.916 20 10 CHCDHN CC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H](C)OC ZINC000812806951 1130719318 /nfs/dbraw/zinc/71/93/18/1130719318.db2.gz AQUGKQWQHLQWJA-OAHLLOKOSA-N 0 3 299.414 3.916 20 10 CHCDHN COC1(C)CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235676300 1130765652 /nfs/dbraw/zinc/76/56/52/1130765652.db2.gz PQOPNAKBXHDXSK-UHFFFAOYSA-N 0 3 291.435 3.691 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2CCC(F)(F)CC2)c([O-])c1 ZINC001235674232 1130765833 /nfs/dbraw/zinc/76/58/33/1130765833.db2.gz DPTOPPCJBMZLEL-UHFFFAOYSA-N 0 3 283.362 3.921 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCCC23CC3)c([O-])c1 ZINC001235676031 1130765917 /nfs/dbraw/zinc/76/59/17/1130765917.db2.gz NWJWNIVDKQRKPZ-UHFFFAOYSA-N 0 3 259.393 3.818 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CCCC23CC3)c([O-])c1 ZINC001235676031 1130765922 /nfs/dbraw/zinc/76/59/22/1130765922.db2.gz NWJWNIVDKQRKPZ-UHFFFAOYSA-N 0 3 259.393 3.818 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2CC(c3cccnc3)C2)c([O-])c1 ZINC001235679346 1130768929 /nfs/dbraw/zinc/76/89/29/1130768929.db2.gz NYWYCUVMTXHGDE-UHFFFAOYSA-N 0 3 296.414 3.684 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1[O-] ZINC000694463592 1130786985 /nfs/dbraw/zinc/78/69/85/1130786985.db2.gz VWOPHVANLJWWOV-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C(C)C)C2)c1[O-] ZINC000694463592 1130786988 /nfs/dbraw/zinc/78/69/88/1130786988.db2.gz VWOPHVANLJWWOV-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000783236280 1130805742 /nfs/dbraw/zinc/80/57/42/1130805742.db2.gz FYLKHCFIFNGZFE-IEBWSBKVSA-N 0 3 281.399 3.992 20 10 CHCDHN CCN(CCC[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000783496191 1130829140 /nfs/dbraw/zinc/82/91/40/1130829140.db2.gz YOIQTKUOCOPHCJ-MRXNPFEDSA-N 0 3 298.430 3.959 20 10 CHCDHN COc1ccccc1C1(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000783509961 1130832920 /nfs/dbraw/zinc/83/29/20/1130832920.db2.gz VRVJTZSHVPEHMU-CQSZACIVSA-N 0 3 297.398 3.783 20 10 CHCDHN CCC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccn1 ZINC000783510403 1130832959 /nfs/dbraw/zinc/83/29/59/1130832959.db2.gz YYVONCVCWBBXCI-BBRMVZONSA-N 0 3 270.376 3.979 20 10 CHCDHN Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783519899 1130833530 /nfs/dbraw/zinc/83/35/30/1130833530.db2.gz MXRRWDVFRROVKW-CHWSQXEVSA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1cccc(F)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783519772 1130833675 /nfs/dbraw/zinc/83/36/75/1130833675.db2.gz XXKAHSVLBFKQOB-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN CCC1(CC)[C@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@H]1OC ZINC000783518665 1130834379 /nfs/dbraw/zinc/83/43/79/1130834379.db2.gz NKBBZSUPYLATIM-DAXOMENPSA-N 0 3 277.408 3.637 20 10 CHCDHN C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccccc1[O-] ZINC000783526052 1130834943 /nfs/dbraw/zinc/83/49/43/1130834943.db2.gz RGAXDWVQTXPHPC-PXAZEXFGSA-N 0 3 268.360 3.589 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1(c2ccccc2)CC1 ZINC000783700884 1130849996 /nfs/dbraw/zinc/84/99/96/1130849996.db2.gz JYIBTGZPLILEMM-UHFFFAOYSA-N 0 3 285.362 3.695 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1(c2ccccc2)CC1 ZINC000783700884 1130850004 /nfs/dbraw/zinc/85/00/04/1130850004.db2.gz JYIBTGZPLILEMM-UHFFFAOYSA-N 0 3 285.362 3.695 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000814298322 1130862298 /nfs/dbraw/zinc/86/22/98/1130862298.db2.gz REQPWPGPHFGICB-KRWDZBQOSA-N 0 3 267.372 3.676 20 10 CHCDHN Cc1cc([C@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)on1 ZINC000815018724 1130950635 /nfs/dbraw/zinc/95/06/35/1130950635.db2.gz ZDWOPPLBDYLDDE-QGZVFWFLSA-N 0 3 299.418 3.695 20 10 CHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CC1 ZINC000815553360 1130998206 /nfs/dbraw/zinc/99/82/06/1130998206.db2.gz YGMBRVBYIGKUOH-KRWDZBQOSA-N 0 3 267.372 3.818 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c([O-])c1 ZINC000815598011 1131005738 /nfs/dbraw/zinc/00/57/38/1131005738.db2.gz KQPKOKNADFUWCT-RHSMWYFYSA-N 0 3 293.451 3.703 20 10 CHCDHN CCc1ccc(CN(C)Cc2ccccc2OC)c(O)c1 ZINC001236788682 1131006957 /nfs/dbraw/zinc/00/69/57/1131006957.db2.gz MZSZPCMVZCXEDT-UHFFFAOYSA-N 0 3 285.387 3.595 20 10 CHCDHN CCc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c([O-])c1 ZINC001236791188 1131009531 /nfs/dbraw/zinc/00/95/31/1131009531.db2.gz FHMFXZNZJIBCNY-UHFFFAOYSA-N 0 3 296.414 3.729 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC001236791782 1131009567 /nfs/dbraw/zinc/00/95/67/1131009567.db2.gz KUOUTMFFNZLQNX-KRWDZBQOSA-N 0 3 267.372 3.902 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC001236791782 1131009572 /nfs/dbraw/zinc/00/95/72/1131009572.db2.gz KUOUTMFFNZLQNX-KRWDZBQOSA-N 0 3 267.372 3.902 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001236815412 1131015075 /nfs/dbraw/zinc/01/50/75/1131015075.db2.gz LHJIAHJPDINYGT-UHFFFAOYSA-N 0 3 289.419 3.865 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001236815412 1131015084 /nfs/dbraw/zinc/01/50/84/1131015084.db2.gz LHJIAHJPDINYGT-UHFFFAOYSA-N 0 3 289.419 3.865 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C)cc1[O-] ZINC000815642824 1131015438 /nfs/dbraw/zinc/01/54/38/1131015438.db2.gz MXAVUIAAAIAZPP-SWLSCSKDSA-N 0 3 286.375 3.603 20 10 CHCDHN Cc1ncccc1C[N@@H+](C)Cc1cc2ccccc2cc1[O-] ZINC001236836474 1131018072 /nfs/dbraw/zinc/01/80/72/1131018072.db2.gz JXOKZTPKPLCWSY-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ncccc1C[N@H+](C)Cc1cc2ccccc2cc1[O-] ZINC001236836474 1131018079 /nfs/dbraw/zinc/01/80/79/1131018079.db2.gz JXOKZTPKPLCWSY-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN CC[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834678 1131018541 /nfs/dbraw/zinc/01/85/41/1131018541.db2.gz DRPWNBUSLCTIIH-CYBMUJFWSA-N 0 3 255.361 3.777 20 10 CHCDHN CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834678 1131018548 /nfs/dbraw/zinc/01/85/48/1131018548.db2.gz DRPWNBUSLCTIIH-CYBMUJFWSA-N 0 3 255.361 3.777 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001236834070 1131019708 /nfs/dbraw/zinc/01/97/08/1131019708.db2.gz TWUXALYQVRCKMT-INIZCTEOSA-N 0 3 289.325 3.777 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001236834070 1131019714 /nfs/dbraw/zinc/01/97/14/1131019714.db2.gz TWUXALYQVRCKMT-INIZCTEOSA-N 0 3 289.325 3.777 20 10 CHCDHN CC1(C)C[NH+](Cc2cc3ccccc3cc2[O-])CC(C)(C)O1 ZINC001236834718 1131020107 /nfs/dbraw/zinc/02/01/07/1131020107.db2.gz BKVHUENOUJZUJG-UHFFFAOYSA-N 0 3 299.414 3.935 20 10 CHCDHN CSc1ccc(CC[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000798086650 1131024495 /nfs/dbraw/zinc/02/44/95/1131024495.db2.gz SJUPJNGZBIEJPQ-UHFFFAOYSA-N 0 3 291.391 3.586 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001237042044 1131038831 /nfs/dbraw/zinc/03/88/31/1131038831.db2.gz DPWWKKQNAOAYEG-YOEHRIQHSA-N 0 3 289.419 3.946 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001237042044 1131038838 /nfs/dbraw/zinc/03/88/38/1131038838.db2.gz DPWWKKQNAOAYEG-YOEHRIQHSA-N 0 3 289.419 3.946 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([O-])c1 ZINC001237046710 1131040647 /nfs/dbraw/zinc/04/06/47/1131040647.db2.gz WFEFUCQLRLJXHQ-KGLIPLIRSA-N 0 3 281.346 3.603 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([O-])c1 ZINC001237046710 1131040653 /nfs/dbraw/zinc/04/06/53/1131040653.db2.gz WFEFUCQLRLJXHQ-KGLIPLIRSA-N 0 3 281.346 3.603 20 10 CHCDHN CC(C)c1ccc(CN2CCC[C@@H]2c2cnccn2)c(O)c1 ZINC001237048493 1131040695 /nfs/dbraw/zinc/04/06/95/1131040695.db2.gz GYRNCTMJRKWWFJ-QGZVFWFLSA-N 0 3 297.402 3.643 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC001237050224 1131040748 /nfs/dbraw/zinc/04/07/48/1131040748.db2.gz ZMTKYIVFCUBAQJ-HNNXBMFYSA-N 0 3 281.346 3.747 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC001237050224 1131040754 /nfs/dbraw/zinc/04/07/54/1131040754.db2.gz ZMTKYIVFCUBAQJ-HNNXBMFYSA-N 0 3 281.346 3.747 20 10 CHCDHN CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C(C)C ZINC001237050318 1131040998 /nfs/dbraw/zinc/04/09/98/1131040998.db2.gz AHZNFUUCTHPYCY-UHFFFAOYSA-N 0 3 291.313 3.564 20 10 CHCDHN CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C(C)C ZINC001237050318 1131041001 /nfs/dbraw/zinc/04/10/01/1131041001.db2.gz AHZNFUUCTHPYCY-UHFFFAOYSA-N 0 3 291.313 3.564 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c([O-])c1 ZINC001237053410 1131043082 /nfs/dbraw/zinc/04/30/82/1131043082.db2.gz LLMZRLKSFDVPIK-UHFFFAOYSA-N 0 3 289.419 3.518 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC3(C2)CCOCC3)c([O-])c1 ZINC001237053410 1131043088 /nfs/dbraw/zinc/04/30/88/1131043088.db2.gz LLMZRLKSFDVPIK-UHFFFAOYSA-N 0 3 289.419 3.518 20 10 CHCDHN CCCC[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237120399 1131052950 /nfs/dbraw/zinc/05/29/50/1131052950.db2.gz OVWVGNMIVFCKNW-UHFFFAOYSA-N 0 3 277.286 3.523 20 10 CHCDHN CCCC[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237120399 1131052954 /nfs/dbraw/zinc/05/29/54/1131052954.db2.gz OVWVGNMIVFCKNW-UHFFFAOYSA-N 0 3 277.286 3.523 20 10 CHCDHN CC[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C(C)C ZINC001237118736 1131052990 /nfs/dbraw/zinc/05/29/90/1131052990.db2.gz AVKDLVCZLZDGTQ-UHFFFAOYSA-N 0 3 277.286 3.521 20 10 CHCDHN CC[C@H](C)[N@H+](C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237135071 1131056290 /nfs/dbraw/zinc/05/62/90/1131056290.db2.gz FHNONMATBNKKAW-VIFPVBQESA-N 0 3 261.287 3.641 20 10 CHCDHN CC[C@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237135071 1131056293 /nfs/dbraw/zinc/05/62/93/1131056293.db2.gz FHNONMATBNKKAW-VIFPVBQESA-N 0 3 261.287 3.641 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+](CC1CC1)C1CC1 ZINC001237147024 1131057421 /nfs/dbraw/zinc/05/74/21/1131057421.db2.gz YLPMGWJVUSPNOW-UHFFFAOYSA-N 0 3 285.309 3.785 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001237147024 1131057423 /nfs/dbraw/zinc/05/74/23/1131057423.db2.gz YLPMGWJVUSPNOW-UHFFFAOYSA-N 0 3 285.309 3.785 20 10 CHCDHN CC[C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237140173 1131058002 /nfs/dbraw/zinc/05/80/02/1131058002.db2.gz XJNXCTQCGUAJLO-LBPRGKRZSA-N 0 3 273.298 3.785 20 10 CHCDHN CC[C@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237140173 1131058007 /nfs/dbraw/zinc/05/80/07/1131058007.db2.gz XJNXCTQCGUAJLO-LBPRGKRZSA-N 0 3 273.298 3.785 20 10 CHCDHN C[C@H]1C[C@H](C)C[NH+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237140742 1131058691 /nfs/dbraw/zinc/05/86/91/1131058691.db2.gz OKNWRPIQNUBMAX-QWRGUYRKSA-N 0 3 287.325 3.889 20 10 CHCDHN COc1cccc(CCC[N@H+](C)Cc2c(C)cccc2[O-])c1 ZINC001237491093 1131103426 /nfs/dbraw/zinc/10/34/26/1131103426.db2.gz GRAICCNOKFJYSJ-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN COc1cccc(CCC[N@@H+](C)Cc2c(C)cccc2[O-])c1 ZINC001237491093 1131103430 /nfs/dbraw/zinc/10/34/30/1131103430.db2.gz GRAICCNOKFJYSJ-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccc(O)c1 ZINC000799718457 1131103642 /nfs/dbraw/zinc/10/36/42/1131103642.db2.gz BKPSSEYULRRCAF-CQSZACIVSA-N 0 3 284.403 3.617 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCc2c(C)cccc2C1 ZINC001237480855 1131103859 /nfs/dbraw/zinc/10/38/59/1131103859.db2.gz AOCVPWAUPYHNJO-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCc2c(C)cccc2C1 ZINC001237480855 1131103864 /nfs/dbraw/zinc/10/38/64/1131103864.db2.gz AOCVPWAUPYHNJO-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001237489827 1131104216 /nfs/dbraw/zinc/10/42/16/1131104216.db2.gz LFEQVZRZVGTBCH-CQSZACIVSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001237489827 1131104221 /nfs/dbraw/zinc/10/42/21/1131104221.db2.gz LFEQVZRZVGTBCH-CQSZACIVSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)Cc1cccc2cccnc21 ZINC001237490619 1131104355 /nfs/dbraw/zinc/10/43/55/1131104355.db2.gz XSHZQOGUTXLVNV-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)Cc1cccc2cccnc21 ZINC001237490619 1131104359 /nfs/dbraw/zinc/10/43/59/1131104359.db2.gz XSHZQOGUTXLVNV-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)CCc1cccc(F)c1 ZINC001237494784 1131106159 /nfs/dbraw/zinc/10/61/59/1131106159.db2.gz LKMWSCRSJGHXLG-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)CCc1cccc(F)c1 ZINC001237494784 1131106161 /nfs/dbraw/zinc/10/61/61/1131106161.db2.gz LKMWSCRSJGHXLG-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN CCCN1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816561094 1131111631 /nfs/dbraw/zinc/11/16/31/1131111631.db2.gz LMRSNCYOJLWABD-UHFFFAOYSA-N 0 3 298.430 3.509 20 10 CHCDHN COc1ccc(C[NH2+][C@H]2CCCC23CCCC3)c([O-])c1 ZINC000816597256 1131114419 /nfs/dbraw/zinc/11/44/19/1131114419.db2.gz KZRUTJWPKVSFSW-INIZCTEOSA-N 0 3 275.392 3.603 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1[O-] ZINC000816619850 1131117055 /nfs/dbraw/zinc/11/70/55/1131117055.db2.gz XXCBBHGZSLBPGM-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1[O-] ZINC000816619850 1131117059 /nfs/dbraw/zinc/11/70/59/1131117059.db2.gz XXCBBHGZSLBPGM-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC001237685194 1131126231 /nfs/dbraw/zinc/12/62/31/1131126231.db2.gz FILWSDHKHHQZEK-PHIMTYICSA-N 0 3 267.800 3.832 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC001237685194 1131126232 /nfs/dbraw/zinc/12/62/32/1131126232.db2.gz FILWSDHKHHQZEK-PHIMTYICSA-N 0 3 267.800 3.832 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)CC2)c1[O-] ZINC001237681801 1131127251 /nfs/dbraw/zinc/12/72/51/1131127251.db2.gz SHTUNMIUTPVTPO-NSHDSACASA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)CC2)c1[O-] ZINC001237681801 1131127250 /nfs/dbraw/zinc/12/72/50/1131127250.db2.gz SHTUNMIUTPVTPO-NSHDSACASA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](CC2CC2)C(C)C)c1[O-] ZINC001237685524 1131127457 /nfs/dbraw/zinc/12/74/57/1131127457.db2.gz FGNPHLCPZJICET-UHFFFAOYSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](CC2CC2)C(C)C)c1[O-] ZINC001237685524 1131127460 /nfs/dbraw/zinc/12/74/60/1131127460.db2.gz FGNPHLCPZJICET-UHFFFAOYSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2C)c1[O-] ZINC001237687227 1131127912 /nfs/dbraw/zinc/12/79/12/1131127912.db2.gz VVZXADQTPOMNQY-JQWIXIFHSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c1[O-] ZINC001237687227 1131127914 /nfs/dbraw/zinc/12/79/14/1131127914.db2.gz VVZXADQTPOMNQY-JQWIXIFHSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](CCCCCO)C(C)C)c1[O-] ZINC001237689068 1131128891 /nfs/dbraw/zinc/12/88/91/1131128891.db2.gz MMGLCGITPOFUKQ-UHFFFAOYSA-N 0 3 299.842 3.727 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](CCCCCO)C(C)C)c1[O-] ZINC001237689068 1131128896 /nfs/dbraw/zinc/12/88/96/1131128896.db2.gz MMGLCGITPOFUKQ-UHFFFAOYSA-N 0 3 299.842 3.727 20 10 CHCDHN Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817967377 1131193646 /nfs/dbraw/zinc/19/36/46/1131193646.db2.gz GVHNMQCJERUMPH-IRXDYDNUSA-N 0 3 294.398 3.629 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)c([O-])c1 ZINC000817977970 1131194867 /nfs/dbraw/zinc/19/48/67/1131194867.db2.gz SFWZQHUNSFSESS-AWEZNQCLSA-N 0 3 296.414 3.910 20 10 CHCDHN C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000817981184 1131195123 /nfs/dbraw/zinc/19/51/23/1131195123.db2.gz HAIMYTFRIHNNFY-ACJLOTCBSA-N 0 3 298.430 3.714 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)c1ccccc1[O-] ZINC000817979765 1131195573 /nfs/dbraw/zinc/19/55/73/1131195573.db2.gz FACKFJHPSBQEGS-MRXNPFEDSA-N 0 3 270.376 3.524 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000818355321 1131210697 /nfs/dbraw/zinc/21/06/97/1131210697.db2.gz COJSSVHJVBBQEB-BXKDBHETSA-N 0 3 251.757 3.557 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000818355323 1131210739 /nfs/dbraw/zinc/21/07/39/1131210739.db2.gz COJSSVHJVBBQEB-JOYOIKCWSA-N 0 3 251.757 3.557 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC23CC3)c1[O-] ZINC000818355322 1131210902 /nfs/dbraw/zinc/21/09/02/1131210902.db2.gz COJSSVHJVBBQEB-CABZTGNLSA-N 0 3 251.757 3.557 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC000824548273 1131475631 /nfs/dbraw/zinc/47/56/31/1131475631.db2.gz DFFGEIBARMMZQQ-OAHLLOKOSA-N 0 3 297.398 3.611 20 10 CHCDHN Cc1c(CN2CC[C@@H](C)[C@H](F)C2)c2ccccc2n1C ZINC001138252684 1131482553 /nfs/dbraw/zinc/48/25/53/1131482553.db2.gz QBSSFXUJZCLYFO-MLGOLLRUSA-N 0 3 274.383 3.667 20 10 CHCDHN Cc1c(CN2CC3CCC2CC3)c2ccccc2n1C ZINC001138258035 1131483175 /nfs/dbraw/zinc/48/31/75/1131483175.db2.gz IYZRKRHOLPXGSV-UHFFFAOYSA-N 0 3 268.404 3.861 20 10 CHCDHN Cc1c(CN2CCC3(CCCO3)CC2)c2ccccc2n1C ZINC001138257146 1131483621 /nfs/dbraw/zinc/48/36/21/1131483621.db2.gz XZTHIOJVVMEKPB-UHFFFAOYSA-N 0 3 298.430 3.632 20 10 CHCDHN CC[C@@H]([NH2+]C[C@](C)(OC)c1ccccc1)c1ccccc1[O-] ZINC000824780328 1131484052 /nfs/dbraw/zinc/48/40/52/1131484052.db2.gz KMYRLARPSHJOKL-MJGOQNOKSA-N 0 3 299.414 3.995 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1cc(F)ccc1OC ZINC001138374898 1131495586 /nfs/dbraw/zinc/49/55/86/1131495586.db2.gz IAWBBOZZMLMQMZ-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CCc1cc(C[N@H+](C)Cc2ccccc2[O-])cc(CC)c1O ZINC001144150985 1131591365 /nfs/dbraw/zinc/59/13/65/1131591365.db2.gz LSRJWPYTTYZCGZ-UHFFFAOYSA-N 0 3 299.414 3.855 20 10 CHCDHN CCc1cc(C[N@@H+](C)Cc2ccccc2[O-])cc(CC)c1O ZINC001144150985 1131591368 /nfs/dbraw/zinc/59/13/68/1131591368.db2.gz LSRJWPYTTYZCGZ-UHFFFAOYSA-N 0 3 299.414 3.855 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001140059215 1131660392 /nfs/dbraw/zinc/66/03/92/1131660392.db2.gz ZOXFBZNUCSKTHW-CQSZACIVSA-N 0 3 281.346 3.636 20 10 CHCDHN COc1ccc(CCC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834526793 1131682162 /nfs/dbraw/zinc/68/21/62/1131682162.db2.gz PEWSVRVWTWLPTJ-KRWDZBQOSA-N 0 3 297.398 3.611 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@](C)(O)c1ccccc1)c1ccccc1[O-] ZINC000846044040 1131683951 /nfs/dbraw/zinc/68/39/51/1131683951.db2.gz NKUKJLGRTLLUSH-LJHODMEESA-N 0 3 299.414 3.729 20 10 CHCDHN CC(C)n1cc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000834581916 1131684652 /nfs/dbraw/zinc/68/46/52/1131684652.db2.gz QYKSPHGAFFMKNU-WFASDCNBSA-N 0 3 285.391 3.508 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCc3ccccc31)CC2 ZINC000834578537 1131684740 /nfs/dbraw/zinc/68/47/40/1131684740.db2.gz UCXVYKPBYHLKJV-WBVHZDCISA-N 0 3 279.383 3.699 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1F ZINC000846107853 1131686618 /nfs/dbraw/zinc/68/66/18/1131686618.db2.gz LCPGCYMOBHORKH-OAHLLOKOSA-N 0 3 298.352 3.513 20 10 CHCDHN Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)o1 ZINC000834602546 1131686768 /nfs/dbraw/zinc/68/67/68/1131686768.db2.gz RYACVLIHSJGXFS-MLGOLLRUSA-N 0 3 285.387 3.892 20 10 CHCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)Cc1cccs1 ZINC000834603225 1131687736 /nfs/dbraw/zinc/68/77/36/1131687736.db2.gz XEGWGRMGZGWWON-DOMZBBRYSA-N 0 3 287.428 3.909 20 10 CHCDHN COc1cccc([C@@H](C)NCc2ccc(F)cc2F)c1O ZINC000846141673 1131694699 /nfs/dbraw/zinc/69/46/99/1131694699.db2.gz MIOKFVPZIMEAAA-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN COCC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCCCC1 ZINC000834807937 1131706928 /nfs/dbraw/zinc/70/69/28/1131706928.db2.gz VBHHMOKFOIRDDL-OAHLLOKOSA-N 0 3 289.419 3.566 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2ccnc(C)c2)cc1 ZINC000834859923 1131713337 /nfs/dbraw/zinc/71/33/37/1131713337.db2.gz LYZZYDILGURISP-HNNXBMFYSA-N 0 3 283.419 3.697 20 10 CHCDHN Cc1ccc(F)c(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834895104 1131721622 /nfs/dbraw/zinc/72/16/22/1131721622.db2.gz YTLZAAMYDYKEBU-INIZCTEOSA-N 0 3 285.362 3.659 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C2CCC(OC(F)F)CC2)c([O-])c1 ZINC000834906759 1131728639 /nfs/dbraw/zinc/72/86/39/1131728639.db2.gz ZCVORCRPZIRTAA-HIFPTAJRSA-N 0 3 299.361 3.902 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000834906146 1131729016 /nfs/dbraw/zinc/72/90/16/1131729016.db2.gz NCGSFXHZFHNVJF-SNPRPXQTSA-N 0 3 259.393 3.706 20 10 CHCDHN COCC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CCCC1 ZINC000834906270 1131729169 /nfs/dbraw/zinc/72/91/69/1131729169.db2.gz NUHKAAKNNBIGDY-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000834910622 1131730619 /nfs/dbraw/zinc/73/06/19/1131730619.db2.gz FIVYMZSMPWHUEC-SGIREYDYSA-N 0 3 281.371 3.530 20 10 CHCDHN CN(C)c1ccc(/C=C/CN(C)Cc2cccc(O)c2)cc1 ZINC000835025410 1131759573 /nfs/dbraw/zinc/75/95/73/1131759573.db2.gz STVNISYSFTUFPA-FNORWQNLSA-N 0 3 296.414 3.603 20 10 CHCDHN CN(C)c1ccc(/C=C\CN(C)CCOC(C)(C)C)cc1 ZINC000835027327 1131759955 /nfs/dbraw/zinc/75/99/55/1131759955.db2.gz CQJZKHYFRVXWSH-FPLPWBNLSA-N 0 3 290.451 3.513 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001140926004 1131966239 /nfs/dbraw/zinc/96/62/39/1131966239.db2.gz XAWFYASJTIOTCT-LBPRGKRZSA-N 0 3 284.806 3.588 20 10 CHCDHN Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC001140958256 1131973729 /nfs/dbraw/zinc/97/37/29/1131973729.db2.gz WGKSSFQOVIAJKM-AWEZNQCLSA-N 0 3 267.372 3.647 20 10 CHCDHN Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC001140958256 1131973733 /nfs/dbraw/zinc/97/37/33/1131973733.db2.gz WGKSSFQOVIAJKM-AWEZNQCLSA-N 0 3 267.372 3.647 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccccc1[O-] ZINC000715697804 1131990864 /nfs/dbraw/zinc/99/08/64/1131990864.db2.gz QLFKQEPUCUHSHK-JSGCOSHPSA-N 0 3 265.422 3.719 20 10 CHCDHN Oc1ccc(O)c(CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC001141159467 1132031555 /nfs/dbraw/zinc/03/15/55/1132031555.db2.gz GVXIDZIHONNCJZ-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN Cc1cccc2c1CC[C@H]([N@@H+]1CCc3cccc([O-])c3C1)C2 ZINC001171572193 1132058898 /nfs/dbraw/zinc/05/88/98/1132058898.db2.gz ABTMTTNVWGLVKX-KRWDZBQOSA-N 0 3 293.410 3.616 20 10 CHCDHN Cc1cccc2c1CC[C@H]([N@H+]1CCc3cccc([O-])c3C1)C2 ZINC001171572193 1132058905 /nfs/dbraw/zinc/05/89/05/1132058905.db2.gz ABTMTTNVWGLVKX-KRWDZBQOSA-N 0 3 293.410 3.616 20 10 CHCDHN Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC001172368501 1132192972 /nfs/dbraw/zinc/19/29/72/1132192972.db2.gz PFELYSXSEYBARQ-KCQAQPDRSA-N 0 3 261.409 3.923 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)nc1C ZINC000840783288 1132286968 /nfs/dbraw/zinc/28/69/68/1132286968.db2.gz IMLLVVWRQZFRDI-HNNXBMFYSA-N 0 3 284.403 3.872 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)c2cccnc2)c([O-])c1 ZINC000840892477 1132304801 /nfs/dbraw/zinc/30/48/01/1132304801.db2.gz UBFLVIQEATVXBD-CQSZACIVSA-N 0 3 284.403 3.724 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CC2(CCC2)C1 ZINC001231586150 1132317083 /nfs/dbraw/zinc/31/70/83/1132317083.db2.gz BORVAGXJWIEVCB-UHFFFAOYSA-N 0 3 253.345 3.531 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(CC2)CC1 ZINC001231587605 1132319113 /nfs/dbraw/zinc/31/91/13/1132319113.db2.gz WKJBIDINHNJPFW-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN CCN(Cc1ccccc1F)Cc1cccc(C)c1O ZINC001231593930 1132321902 /nfs/dbraw/zinc/32/19/02/1132321902.db2.gz PAJIUFIKHCZDFY-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC(C)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841759064 1132394942 /nfs/dbraw/zinc/39/49/42/1132394942.db2.gz NGVSZKDSAUSVLI-LBPRGKRZSA-N 0 3 296.842 3.569 20 10 CHCDHN [O-]c1cc(O)c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1Cl ZINC001232263263 1132445135 /nfs/dbraw/zinc/44/51/35/1132445135.db2.gz MEMHKEJRXYANLM-RISCZKNCSA-N 0 3 295.810 3.906 20 10 CHCDHN [O-]c1cc(O)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1Cl ZINC001232263263 1132445138 /nfs/dbraw/zinc/44/51/38/1132445138.db2.gz MEMHKEJRXYANLM-RISCZKNCSA-N 0 3 295.810 3.906 20 10 CHCDHN CC[C@H](C)C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000842915908 1132475941 /nfs/dbraw/zinc/47/59/41/1132475941.db2.gz HWKSZKIMKSSULO-BJJXKVORSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1ccc(C[N@@H+](Cc2ccccc2[O-])CC2CC2)cn1 ZINC000843423390 1132533776 /nfs/dbraw/zinc/53/37/76/1132533776.db2.gz NDWVXABDSRJPJU-UHFFFAOYSA-N 0 3 282.387 3.508 20 10 CHCDHN Cc1ccc(C[N@H+](Cc2ccccc2[O-])CC2CC2)cn1 ZINC000843423390 1132533778 /nfs/dbraw/zinc/53/37/78/1132533778.db2.gz NDWVXABDSRJPJU-UHFFFAOYSA-N 0 3 282.387 3.508 20 10 CHCDHN CC(C)(C)c1ccc(O)c(CN2CCC[C@@H]2CF)c1 ZINC001233287314 1132597628 /nfs/dbraw/zinc/59/76/28/1132597628.db2.gz IMQRKLMTPSFJAT-CQSZACIVSA-N 0 3 265.372 3.624 20 10 CHCDHN CCN(Cc1ccc(Cl)o1)Cc1ccccc1O ZINC001233316909 1132599528 /nfs/dbraw/zinc/59/95/28/1132599528.db2.gz KUZCDMIAKJIZBV-UHFFFAOYSA-N 0 3 265.740 3.661 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001203561168 1133340971 /nfs/dbraw/zinc/34/09/71/1133340971.db2.gz MOGLZFHYCCLUOC-UHFFFAOYSA-N 0 3 267.372 3.947 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001203561168 1133340979 /nfs/dbraw/zinc/34/09/79/1133340979.db2.gz MOGLZFHYCCLUOC-UHFFFAOYSA-N 0 3 267.372 3.947 20 10 CHCDHN CCOc1cccc(C[N@H+](C)CCc2ccc(C)cc2)c1[O-] ZINC001203609413 1133344280 /nfs/dbraw/zinc/34/42/80/1133344280.db2.gz RTCLFJZYVILRJX-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)CCc2ccc(C)cc2)c1[O-] ZINC001203609413 1133344286 /nfs/dbraw/zinc/34/42/86/1133344286.db2.gz RTCLFJZYVILRJX-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CCc1ccc(C[N@@H+](CC)Cc2ccccc2[O-])cc1 ZINC001204178423 1133416134 /nfs/dbraw/zinc/41/61/34/1133416134.db2.gz QDPYUZNAQJNDKD-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN CCc1ccc(C[N@H+](CC)Cc2ccccc2[O-])cc1 ZINC001204178423 1133416139 /nfs/dbraw/zinc/41/61/39/1133416139.db2.gz QDPYUZNAQJNDKD-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001204275058 1133426660 /nfs/dbraw/zinc/42/66/60/1133426660.db2.gz MYZWFCWWSXJTCX-INIZCTEOSA-N 0 3 297.398 3.553 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001204275058 1133426663 /nfs/dbraw/zinc/42/66/63/1133426663.db2.gz MYZWFCWWSXJTCX-INIZCTEOSA-N 0 3 297.398 3.553 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001204961964 1133508454 /nfs/dbraw/zinc/50/84/54/1133508454.db2.gz YFSOGHVOCKUOSA-IMJJTQAJSA-N 0 3 259.393 3.711 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001204961964 1133508457 /nfs/dbraw/zinc/50/84/57/1133508457.db2.gz YFSOGHVOCKUOSA-IMJJTQAJSA-N 0 3 259.393 3.711 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC001205185051 1133543266 /nfs/dbraw/zinc/54/32/66/1133543266.db2.gz JFNHCXQBSPKPQD-SFHVURJKSA-N 0 3 297.398 3.829 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC001205185051 1133543272 /nfs/dbraw/zinc/54/32/72/1133543272.db2.gz JFNHCXQBSPKPQD-SFHVURJKSA-N 0 3 297.398 3.829 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)c([O-])c1 ZINC001205999081 1133640352 /nfs/dbraw/zinc/64/03/52/1133640352.db2.gz VBJFKIDSXPTWSB-SFHVURJKSA-N 0 3 281.399 3.984 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccc(C)cc1OC ZINC001206783197 1133747901 /nfs/dbraw/zinc/74/79/01/1133747901.db2.gz VVZJMSZVOTVAFY-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(C)cc1OC ZINC001206783197 1133747906 /nfs/dbraw/zinc/74/79/06/1133747906.db2.gz VVZJMSZVOTVAFY-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC(C)c1ccc([O-])c(C[NH2+][C@H](CCO)C2CCCC2)c1 ZINC001207675076 1133837371 /nfs/dbraw/zinc/83/73/71/1133837371.db2.gz JPPMMLRGIDPRGT-QGZVFWFLSA-N 0 3 291.435 3.546 20 10 CHCDHN CC[N@H+](CCc1c(F)cccc1F)Cc1ccccc1[O-] ZINC001208116948 1133878820 /nfs/dbraw/zinc/87/88/20/1133878820.db2.gz MZCSAKJRPBWXFZ-UHFFFAOYSA-N 0 3 291.341 3.735 20 10 CHCDHN CC[N@@H+](CCc1c(F)cccc1F)Cc1ccccc1[O-] ZINC001208116948 1133878828 /nfs/dbraw/zinc/87/88/28/1133878828.db2.gz MZCSAKJRPBWXFZ-UHFFFAOYSA-N 0 3 291.341 3.735 20 10 CHCDHN CC[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000402557040 1134660125 /nfs/dbraw/zinc/66/01/25/1134660125.db2.gz HSIDYMMNJGWPMH-SECBINFHSA-N 0 3 279.277 3.600 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000020122554 171002631 /nfs/dbraw/zinc/00/26/31/171002631.db2.gz HHEZQRQMYNGXGE-LBPRGKRZSA-N 0 3 275.779 3.939 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1[O-] ZINC000020123557 171004856 /nfs/dbraw/zinc/00/48/56/171004856.db2.gz ZJASMSCGSHPGGK-JSGCOSHPSA-N 0 3 256.349 3.589 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)c([O-])c1 ZINC000020127994 171013923 /nfs/dbraw/zinc/01/39/23/171013923.db2.gz YNWWYPKVRNJELE-QWHCGFSZSA-N 0 3 256.349 3.507 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000020146099 171032099 /nfs/dbraw/zinc/03/20/99/171032099.db2.gz MCUIQRQVXSEZEA-QGZVFWFLSA-N 0 3 284.403 3.699 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cccc(F)c2)c1 ZINC000020147926 171035613 /nfs/dbraw/zinc/03/56/13/171035613.db2.gz VAZVUEIAJBPOMY-NWDGAFQWSA-N 0 3 289.350 3.952 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000020147926 171035614 /nfs/dbraw/zinc/03/56/14/171035614.db2.gz VAZVUEIAJBPOMY-NWDGAFQWSA-N 0 3 289.350 3.952 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1ccccc1[O-] ZINC000020200857 171064835 /nfs/dbraw/zinc/06/48/35/171064835.db2.gz ICJJXKUDPNNBEQ-IRXDYDNUSA-N 0 3 290.451 3.553 20 10 CHCDHN CCOc1cccc(CN[C@H]2CCCc3occc32)c1O ZINC000020204323 171069604 /nfs/dbraw/zinc/06/96/04/171069604.db2.gz SHYPWPQRMUKKTG-AWEZNQCLSA-N 0 3 287.359 3.551 20 10 CHCDHN COc1ccc(CN[C@H]2CCCc3occc32)cc1C ZINC000035273645 172094525 /nfs/dbraw/zinc/09/45/25/172094525.db2.gz IPWYTIMOYAWVIB-HNNXBMFYSA-N 0 3 271.360 3.764 20 10 CHCDHN C[C@H](NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000037187687 260073538 /nfs/dbraw/zinc/07/35/38/260073538.db2.gz FQNOSLGXYULJBK-AWEZNQCLSA-N 0 3 254.377 3.603 20 10 CHCDHN COc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1C ZINC000037319286 260087339 /nfs/dbraw/zinc/08/73/39/260087339.db2.gz GBOKKNRKXQFRGL-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccccc1[O-] ZINC000155385654 261101093 /nfs/dbraw/zinc/10/10/93/261101093.db2.gz IKTHUFWCFUIDCB-INIZCTEOSA-N 0 3 285.387 3.950 20 10 CHCDHN CCc1nc(CC[NH2+][C@@H](CC)c2ccccc2[O-])cs1 ZINC000155569468 261103882 /nfs/dbraw/zinc/10/38/82/261103882.db2.gz YOZMRBCKVGJRPO-AWEZNQCLSA-N 0 3 290.432 3.695 20 10 CHCDHN CCc1nc(CC[NH2+][C@H](CC)c2ccccc2[O-])cs1 ZINC000155569580 261104196 /nfs/dbraw/zinc/10/41/96/261104196.db2.gz YOZMRBCKVGJRPO-CQSZACIVSA-N 0 3 290.432 3.695 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1ccccc1[O-] ZINC000155925209 261109756 /nfs/dbraw/zinc/10/97/56/261109756.db2.gz JXTCIJJXXFZRPV-ZBEGNZNMSA-N 0 3 288.391 3.669 20 10 CHCDHN CCc1noc(CC)c1C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156306101 261120047 /nfs/dbraw/zinc/12/00/47/261120047.db2.gz LWUBGRFDRABNOP-AWEZNQCLSA-N 0 3 288.391 3.746 20 10 CHCDHN CC[C@H]([NH2+]CC1(CCOC)CCC1)c1ccccc1[O-] ZINC000156357472 261120796 /nfs/dbraw/zinc/12/07/96/261120796.db2.gz ZYBUOTZKNBABSG-HNNXBMFYSA-N 0 3 277.408 3.640 20 10 CHCDHN CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163666987 261324911 /nfs/dbraw/zinc/32/49/11/261324911.db2.gz WUKVVCXBRNNFMT-KDOFPFPSSA-N 0 3 283.419 3.950 20 10 CHCDHN C[C@H](NCc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000165486476 261371238 /nfs/dbraw/zinc/37/12/38/261371238.db2.gz JGYBUOVBASXMBF-LBPRGKRZSA-N 0 3 289.810 3.652 20 10 CHCDHN CCOc1ccccc1CN[C@@H](C)c1cc(C)ccc1O ZINC000185103448 262041090 /nfs/dbraw/zinc/04/10/90/262041090.db2.gz QFHUCNOYWLNGTO-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185501297 262056759 /nfs/dbraw/zinc/05/67/59/262056759.db2.gz YVHMUEKIMIWALI-NEPJUHHUSA-N 0 3 288.391 3.587 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000185532124 262058525 /nfs/dbraw/zinc/05/85/25/262058525.db2.gz KIUFWTGEGCQBMI-CRAIPNDOSA-N 0 3 299.414 3.865 20 10 CHCDHN C[C@H]([NH2+]C1CCSCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185979039 262074065 /nfs/dbraw/zinc/07/40/65/262074065.db2.gz WRTPJBRJSGSNPR-LBPRGKRZSA-N 0 3 291.460 3.817 20 10 CHCDHN COc1ccsc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000186086084 262079383 /nfs/dbraw/zinc/07/93/83/262079383.db2.gz TUUKKHKDQPXTRZ-GFCCVEGCSA-N 0 3 290.432 3.674 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186158062 262082683 /nfs/dbraw/zinc/08/26/83/262082683.db2.gz PESAFQVXBDRGKM-RYUDHWBXSA-N 0 3 288.391 3.760 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(Cl)cn2)c(O)c1 ZINC000186230059 262085515 /nfs/dbraw/zinc/08/55/15/262085515.db2.gz SLMXCLLJINQKJQ-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2[O-])n1 ZINC000186561776 262099223 /nfs/dbraw/zinc/09/92/23/262099223.db2.gz WVOIPWXVSNRTFL-WCQYABFASA-N 0 3 290.432 3.920 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000186777928 262109279 /nfs/dbraw/zinc/10/92/79/262109279.db2.gz QCKUMRXRJGJUBK-YPMHNXCESA-N 0 3 290.432 3.920 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1 ZINC000370372738 267313299 /nfs/dbraw/zinc/31/32/99/267313299.db2.gz CYTPNGANDHPGCV-KSSFIOAISA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000370372738 267313300 /nfs/dbraw/zinc/31/33/00/267313300.db2.gz CYTPNGANDHPGCV-KSSFIOAISA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c([O-])c1 ZINC000370375083 267313338 /nfs/dbraw/zinc/31/33/38/267313338.db2.gz QWWMVJFOAANCDB-RDTXWAMCSA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1cc([O-])c(C[NH2+]CC2(c3ccccn3)CCC2)cc1C ZINC000370742716 267344121 /nfs/dbraw/zinc/34/41/21/267344121.db2.gz WWIOSDGFEMIOFS-UHFFFAOYSA-N 0 3 296.414 3.616 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccncc1 ZINC000185541544 327840428 /nfs/dbraw/zinc/84/04/28/327840428.db2.gz FRVODIXBXOMUFR-CJNGLKHVSA-N 0 3 270.376 3.898 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1[O-] ZINC000291532409 328264665 /nfs/dbraw/zinc/26/46/65/328264665.db2.gz KJJKKWYCYXRZPQ-QGZVFWFLSA-N 0 3 287.403 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1[O-] ZINC000291532409 328264667 /nfs/dbraw/zinc/26/46/67/328264667.db2.gz KJJKKWYCYXRZPQ-QGZVFWFLSA-N 0 3 287.403 3.555 20 10 CHCDHN CCOc1cccc(C[NH2+]CC[C@@H]2CC=CCC2)c1[O-] ZINC000527789699 326868172 /nfs/dbraw/zinc/86/81/72/326868172.db2.gz NJPQNAWJSMXTIY-CQSZACIVSA-N 0 3 275.392 3.627 20 10 CHCDHN C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1ccccc1O ZINC000374681218 328996122 /nfs/dbraw/zinc/99/61/22/328996122.db2.gz ULDPLWJWYYQUBZ-QMTHXVAHSA-N 0 3 289.762 3.830 20 10 CHCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(C)c2[O-])n1 ZINC000180277739 329219453 /nfs/dbraw/zinc/21/94/53/329219453.db2.gz RFRPPWHLCCCKLE-KRWDZBQOSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C)c2[O-])n1 ZINC000180277739 329219454 /nfs/dbraw/zinc/21/94/54/329219454.db2.gz RFRPPWHLCCCKLE-KRWDZBQOSA-N 0 3 282.387 3.741 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc([N+](=O)[O-])c1 ZINC000295992125 334904972 /nfs/dbraw/zinc/90/49/72/334904972.db2.gz NUFDGPWWIFAWPO-XHDPSFHLSA-N 0 3 298.342 3.639 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCSC(C)(C)CC2)c1[O-] ZINC000279513230 521341704 /nfs/dbraw/zinc/34/17/04/521341704.db2.gz XKTIQVOAJKDVEH-UHFFFAOYSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCSC(C)(C)CC2)c1[O-] ZINC000279513230 521341707 /nfs/dbraw/zinc/34/17/07/521341707.db2.gz XKTIQVOAJKDVEH-UHFFFAOYSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1cccc(CNCc2ccccc2Cl)c1O ZINC000019908225 521368064 /nfs/dbraw/zinc/36/80/64/521368064.db2.gz LOWFMNQHAOPSAT-UHFFFAOYSA-N 0 3 291.778 3.734 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000037679524 521370140 /nfs/dbraw/zinc/37/01/40/521370140.db2.gz WCXWFCRLYYPWNG-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN CN(C)c1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000280427396 522213021 /nfs/dbraw/zinc/21/30/21/522213021.db2.gz ZXYVWTLUHURSKF-IBGZPJMESA-N 0 3 295.430 3.779 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(C)cc1[O-] ZINC000280274252 522755866 /nfs/dbraw/zinc/75/58/66/522755866.db2.gz YATCFJANFWAJCD-HOCLYGCPSA-N 0 3 289.419 3.843 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(C)cc1[O-] ZINC000280082564 522867326 /nfs/dbraw/zinc/86/73/26/522867326.db2.gz LUIDMGJGQHUAHK-GXTWGEPZSA-N 0 3 297.489 3.590 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccc(C)cc1[O-] ZINC000280269126 522917559 /nfs/dbraw/zinc/91/75/59/522917559.db2.gz XTNQQKNLAILEGO-BLLLJJGKSA-N 0 3 287.407 3.544 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CCOC)c1ccco1)c1ccccc1[O-] ZINC000274741727 522919975 /nfs/dbraw/zinc/91/99/75/522919975.db2.gz FLXBZCYUGZSUGU-CABCVRRESA-N 0 3 289.375 3.804 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000274961633 522950377 /nfs/dbraw/zinc/95/03/77/522950377.db2.gz WVUXKJBKONNYMS-DZGCQCFKSA-N 0 3 275.392 3.535 20 10 CHCDHN COc1ccc(CNCc2sccc2C)cc1C ZINC000075675513 524073953 /nfs/dbraw/zinc/07/39/53/524073953.db2.gz QUYOGPWPHYXLOQ-UHFFFAOYSA-N 0 3 261.390 3.663 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000050225188 524604364 /nfs/dbraw/zinc/60/43/64/524604364.db2.gz TUUJLSTVVJSOQX-GFCCVEGCSA-N 0 3 261.390 3.921 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000050225295 524605175 /nfs/dbraw/zinc/60/51/75/524605175.db2.gz HZPYWKQLYMVLFJ-CYBMUJFWSA-N 0 3 274.433 3.973 20 10 CHCDHN C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000049154520 524764000 /nfs/dbraw/zinc/76/40/00/524764000.db2.gz BKRMWDVAUHISKD-VXGBXAGGSA-N 0 3 261.390 3.736 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000049577420 525363273 /nfs/dbraw/zinc/36/32/73/525363273.db2.gz VPMCEJGCIIXOJN-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000049577420 525363283 /nfs/dbraw/zinc/36/32/83/525363283.db2.gz VPMCEJGCIIXOJN-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000049577421 525365848 /nfs/dbraw/zinc/36/58/48/525365848.db2.gz VPMCEJGCIIXOJN-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000049577421 525365858 /nfs/dbraw/zinc/36/58/58/525365858.db2.gz VPMCEJGCIIXOJN-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccsc1 ZINC000061361745 525451156 /nfs/dbraw/zinc/45/11/56/525451156.db2.gz LQPYZRWTTYECPL-ZDUSSCGKSA-N 0 3 286.444 3.981 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc2c(cc1[O-])CCCC2 ZINC000280120750 525502739 /nfs/dbraw/zinc/50/27/39/525502739.db2.gz PNLURBGVMFFKBF-CHWSQXEVSA-N 0 3 291.460 3.675 20 10 CHCDHN Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1[O-])CCC2 ZINC000291669284 526210689 /nfs/dbraw/zinc/21/06/89/526210689.db2.gz GDMVMRPMTTXKHK-QGZVFWFLSA-N 0 3 267.372 3.868 20 10 CHCDHN CCOc1cccc(C[N@H+](CC(C)C)C(C)C)c1[O-] ZINC000133522364 1125467703 /nfs/dbraw/zinc/46/77/03/1125467703.db2.gz PXWHOFFMVVWSFP-UHFFFAOYSA-N 0 3 265.397 3.657 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC(C)C)C(C)C)c1[O-] ZINC000133522364 1125467706 /nfs/dbraw/zinc/46/77/06/1125467706.db2.gz PXWHOFFMVVWSFP-UHFFFAOYSA-N 0 3 265.397 3.657 20 10 CHCDHN C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000109772069 1125469271 /nfs/dbraw/zinc/46/92/71/1125469271.db2.gz VOUDGHJIVLBXBC-LBPRGKRZSA-N 0 3 259.324 3.724 20 10 CHCDHN C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000109772069 1125469274 /nfs/dbraw/zinc/46/92/74/1125469274.db2.gz VOUDGHJIVLBXBC-LBPRGKRZSA-N 0 3 259.324 3.724 20 10 CHCDHN CC(C)CSCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000179901976 1119792718 /nfs/dbraw/zinc/79/27/18/1119792718.db2.gz HZCSUKUWWNRCDX-CYBMUJFWSA-N 0 3 267.438 3.822 20 10 CHCDHN CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000834904972 1131728282 /nfs/dbraw/zinc/72/82/82/1131728282.db2.gz RKBAECRNCFAORY-MMPTUQATSA-N 0 3 297.826 3.818 20 10 CHCDHN C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921961 1131964121 /nfs/dbraw/zinc/96/41/21/1131964121.db2.gz YGYYFJSRKHBJLI-GFCCVEGCSA-N 0 3 266.816 3.638 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccccc1OC ZINC000215914330 1125581928 /nfs/dbraw/zinc/58/19/28/1125581928.db2.gz WEDHLWQYSPEESN-UHFFFAOYSA-N 0 3 298.430 3.783 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841756182 1125594192 /nfs/dbraw/zinc/59/41/92/1125594192.db2.gz UTTZCKQSJWDYEQ-IACUBPJLSA-N 0 3 296.842 3.569 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246942446 1125651359 /nfs/dbraw/zinc/65/13/59/1125651359.db2.gz LORYEGKHNWUYEZ-KXBFYZLASA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246942446 1125651361 /nfs/dbraw/zinc/65/13/61/1125651361.db2.gz LORYEGKHNWUYEZ-KXBFYZLASA-N 0 3 297.398 3.546 20 10 CHCDHN COc1ccc([C@@H](C)[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000179555697 1126829613 /nfs/dbraw/zinc/82/96/13/1126829613.db2.gz JLJUHTMMBGRRIW-CYBMUJFWSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000179555697 1126829616 /nfs/dbraw/zinc/82/96/16/1126829616.db2.gz JLJUHTMMBGRRIW-CYBMUJFWSA-N 0 3 271.360 3.594 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1cccc(O)c1 ZINC000179560927 1126829880 /nfs/dbraw/zinc/82/98/80/1126829880.db2.gz SJHVDUILQIRPFR-ZDUSSCGKSA-N 0 3 271.360 3.681 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1cccc(O)c1 ZINC000179560927 1126829883 /nfs/dbraw/zinc/82/98/83/1126829883.db2.gz SJHVDUILQIRPFR-ZDUSSCGKSA-N 0 3 271.360 3.681 20 10 CHCDHN C[C@@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000183467345 1126887430 /nfs/dbraw/zinc/88/74/30/1126887430.db2.gz WAWHYULJGQOWFP-MDASCCDHSA-N 0 3 297.398 3.963 20 10 CHCDHN C[C@@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587967 1126889659 /nfs/dbraw/zinc/88/96/59/1126889659.db2.gz AVXPUUSSKMEEBU-HUBLWGQQSA-N 0 3 291.416 3.617 20 10 CHCDHN COc1ccc(F)cc1CN[C@@H](C)c1cc(C)ccc1O ZINC000187591449 1126911996 /nfs/dbraw/zinc/91/19/96/1126911996.db2.gz SJAUBERXOOKOIP-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)c2ccccc2)cc1 ZINC000269046797 1127033956 /nfs/dbraw/zinc/03/39/56/1127033956.db2.gz YOXNOSVVQSGVNY-KXBFYZLASA-N 0 3 298.430 3.527 20 10 CHCDHN C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccccc1[O-] ZINC000271235793 1127073153 /nfs/dbraw/zinc/07/31/53/1127073153.db2.gz CJMCEKWHJKSWOQ-LLVKDONJSA-N 0 3 259.374 3.573 20 10 CHCDHN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1[O-] ZINC000271235793 1127073159 /nfs/dbraw/zinc/07/31/59/1127073159.db2.gz CJMCEKWHJKSWOQ-LLVKDONJSA-N 0 3 259.374 3.573 20 10 CHCDHN C[C@H](NCc1ccccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000271555442 1127092295 /nfs/dbraw/zinc/09/22/95/1127092295.db2.gz WPURALJRQRZSDY-HNNXBMFYSA-N 0 3 297.446 3.669 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000271674977 1127096880 /nfs/dbraw/zinc/09/68/80/1127096880.db2.gz OHBJIZNZDVNQMA-ZDUSSCGKSA-N 0 3 271.360 3.642 20 10 CHCDHN CN(Cc1cc(C(F)(F)F)ccc1O)C1CC(F)(F)C1 ZINC001237137945 1131053930 /nfs/dbraw/zinc/05/39/30/1131053930.db2.gz SNUBSZHCOJCKFO-UHFFFAOYSA-N 0 3 295.251 3.641 20 10 CHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CC(F)(F)C1 ZINC001237137945 1131053935 /nfs/dbraw/zinc/05/39/35/1131053935.db2.gz SNUBSZHCOJCKFO-UHFFFAOYSA-N 0 3 295.251 3.641 20 10 CHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C1CC(F)(F)C1 ZINC001237137945 1131053941 /nfs/dbraw/zinc/05/39/41/1131053941.db2.gz SNUBSZHCOJCKFO-UHFFFAOYSA-N 0 3 295.251 3.641 20 10 CHCDHN C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237137108 1131055673 /nfs/dbraw/zinc/05/56/73/1131055673.db2.gz MCCQFMHAFLDERK-SNVBAGLBSA-N 0 3 273.298 3.643 20 10 CHCDHN C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237137108 1131055679 /nfs/dbraw/zinc/05/56/79/1131055679.db2.gz MCCQFMHAFLDERK-SNVBAGLBSA-N 0 3 273.298 3.643 20 10 CHCDHN CC[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000816624769 1131112308 /nfs/dbraw/zinc/11/23/08/1131112308.db2.gz HEBWZIMLLBYXGZ-YEORSEQZSA-N 0 3 251.345 3.590 20 10 CHCDHN CCOCC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237684920 1131126588 /nfs/dbraw/zinc/12/65/88/1131126588.db2.gz CMZUOJOIQKFALC-UHFFFAOYSA-N 0 3 297.826 3.603 20 10 CHCDHN CCOC1CC(CC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284882235 1127210454 /nfs/dbraw/zinc/21/04/54/1127210454.db2.gz BKCUOEMNBRXRJV-QQFBHYJXSA-N 0 3 291.435 3.865 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000285293292 1127221871 /nfs/dbraw/zinc/22/18/71/1127221871.db2.gz RTRAVUKIILJEEH-PMPSAXMXSA-N 0 3 291.435 3.865 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(C)cc1[O-] ZINC000286973792 1127277954 /nfs/dbraw/zinc/27/79/54/1127277954.db2.gz IQLGVXJTEMWDSR-UKRRQHHQSA-N 0 3 279.449 3.885 20 10 CHCDHN COCC1(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000293624802 1127508928 /nfs/dbraw/zinc/50/89/28/1127508928.db2.gz FZONSZSUEIQVJY-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN Cc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000294073741 1127547185 /nfs/dbraw/zinc/54/71/85/1127547185.db2.gz YOAGFSHQZAFEDW-KRWDZBQOSA-N 0 3 282.387 3.679 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC000228631304 1127576453 /nfs/dbraw/zinc/57/64/53/1127576453.db2.gz UOJRBWXJCDTQKG-MNOVXSKESA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC000228631304 1127576457 /nfs/dbraw/zinc/57/64/57/1127576457.db2.gz UOJRBWXJCDTQKG-MNOVXSKESA-N 0 3 283.799 3.675 20 10 CHCDHN CCC[C@H](CC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228673669 1127583903 /nfs/dbraw/zinc/58/39/03/1127583903.db2.gz HULMTFRSMFTJQG-LBPRGKRZSA-N 0 3 271.788 3.723 20 10 CHCDHN C[C@H](CCc1ccco1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295989586 1129221002 /nfs/dbraw/zinc/22/10/02/1129221002.db2.gz NRRIJSUUFWAVEG-DOMZBBRYSA-N 0 3 271.360 3.583 20 10 CHCDHN CCCNc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296611535 1127678625 /nfs/dbraw/zinc/67/86/25/1127678625.db2.gz YNBUSUYFFQGIKV-KRWDZBQOSA-N 0 3 296.414 3.991 20 10 CHCDHN Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297606062 1127701387 /nfs/dbraw/zinc/70/13/87/1127701387.db2.gz IFVFAMAJBSURON-DLBZAZTESA-N 0 3 279.383 3.965 20 10 CHCDHN CO[C@@]1(C)CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000230300063 1127751632 /nfs/dbraw/zinc/75/16/32/1127751632.db2.gz DSFLHUOTDLQUBX-SFHVURJKSA-N 0 3 285.387 3.546 20 10 CHCDHN CO[C@@]1(C)CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000230300063 1127751637 /nfs/dbraw/zinc/75/16/37/1127751637.db2.gz DSFLHUOTDLQUBX-SFHVURJKSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[C@@H]([NH2+]CCOCC1CCCC1)c1ccccc1[O-] ZINC000313291447 1128113682 /nfs/dbraw/zinc/11/36/82/1128113682.db2.gz GVKGYWHZJKVAKM-MRXNPFEDSA-N 0 3 277.408 3.640 20 10 CHCDHN C[C@H](Cc1ccccc1)C[N@H+](C)Cc1ccccc1[O-] ZINC000753958313 1128161065 /nfs/dbraw/zinc/16/10/65/1128161065.db2.gz BPPMJVZEFSTUAW-OAHLLOKOSA-N 0 3 269.388 3.703 20 10 CHCDHN C[C@H](Cc1ccccc1)C[N@@H+](C)Cc1ccccc1[O-] ZINC000753958313 1128161068 /nfs/dbraw/zinc/16/10/68/1128161068.db2.gz BPPMJVZEFSTUAW-OAHLLOKOSA-N 0 3 269.388 3.703 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1ccccc1[O-] ZINC000927016793 1128208357 /nfs/dbraw/zinc/20/83/57/1128208357.db2.gz KZRQOFWMIKXVLQ-KGLIPLIRSA-N 0 3 275.392 3.535 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H](C)C2)c([O-])c1 ZINC000927032730 1128209499 /nfs/dbraw/zinc/20/94/99/1128209499.db2.gz OPYVQMQTQJJAPC-AVGNSLFASA-N 0 3 265.422 3.635 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cc(F)ccc1[O-] ZINC000927127210 1128220506 /nfs/dbraw/zinc/22/05/06/1128220506.db2.gz GOAVHEHNQXMPRE-OCCSQVGLSA-N 0 3 293.382 3.674 20 10 CHCDHN C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000777824871 1128288674 /nfs/dbraw/zinc/28/86/74/1128288674.db2.gz JMIXBSZHKDOZAM-CYBMUJFWSA-N 0 3 273.351 3.594 20 10 CHCDHN C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000777824871 1128288676 /nfs/dbraw/zinc/28/86/76/1128288676.db2.gz JMIXBSZHKDOZAM-CYBMUJFWSA-N 0 3 273.351 3.594 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccccc1[O-] ZINC000778236890 1128458534 /nfs/dbraw/zinc/45/85/34/1128458534.db2.gz OLTXWVHKGQKSLF-KRWDZBQOSA-N 0 3 283.371 3.663 20 10 CHCDHN CC[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccccc1[O-] ZINC000155272928 1128604051 /nfs/dbraw/zinc/60/40/51/1128604051.db2.gz DOBMJFXWORDIBX-SFHVURJKSA-N 0 3 298.430 3.565 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1[O-] ZINC000157881420 1128662674 /nfs/dbraw/zinc/66/26/74/1128662674.db2.gz OATQJUNYPQJBKZ-UKRRQHHQSA-N 0 3 277.408 3.779 20 10 CHCDHN CC[N@H+](Cc1ccc(C)cc1)Cc1cc(F)ccc1[O-] ZINC000778996416 1128674947 /nfs/dbraw/zinc/67/49/47/1128674947.db2.gz OHNGRTDZVBCTKZ-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(F)ccc1[O-] ZINC000778996416 1128674948 /nfs/dbraw/zinc/67/49/48/1128674948.db2.gz OHNGRTDZVBCTKZ-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN C[N@H+](CCCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778996571 1128675638 /nfs/dbraw/zinc/67/56/38/1128675638.db2.gz QMUWCRLMUIOXDB-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN C[N@@H+](CCCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778996571 1128675640 /nfs/dbraw/zinc/67/56/40/1128675640.db2.gz QMUWCRLMUIOXDB-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000778993762 1128675858 /nfs/dbraw/zinc/67/58/58/1128675858.db2.gz XLCSESXIBOTVJA-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000778993762 1128675861 /nfs/dbraw/zinc/67/58/61/1128675861.db2.gz XLCSESXIBOTVJA-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000779017845 1128682846 /nfs/dbraw/zinc/68/28/46/1128682846.db2.gz CDGLLFPKRDBOHU-UHFFFAOYSA-N 0 3 285.362 3.911 20 10 CHCDHN C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019101 1128683147 /nfs/dbraw/zinc/68/31/47/1128683147.db2.gz DSLXUECPAYBSNP-VXGBXAGGSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019101 1128683148 /nfs/dbraw/zinc/68/31/48/1128683148.db2.gz DSLXUECPAYBSNP-VXGBXAGGSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779019097 1128683611 /nfs/dbraw/zinc/68/36/11/1128683611.db2.gz DSLXUECPAYBSNP-NWDGAFQWSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779019097 1128683613 /nfs/dbraw/zinc/68/36/13/1128683613.db2.gz DSLXUECPAYBSNP-NWDGAFQWSA-N 0 3 251.345 3.542 20 10 CHCDHN Cc1ccccc1CC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779076506 1128720468 /nfs/dbraw/zinc/72/04/68/1128720468.db2.gz BPINXKQNHOQZQE-UHFFFAOYSA-N 0 3 287.378 3.951 20 10 CHCDHN C[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCCc2ccccc21 ZINC000779079423 1128722934 /nfs/dbraw/zinc/72/29/34/1128722934.db2.gz RPEFEWGQMGBNSX-GOSISDBHSA-N 0 3 285.362 3.873 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC23CCCC3)c1[O-] ZINC000763458868 1128730790 /nfs/dbraw/zinc/73/07/90/1128730790.db2.gz SJZZYYLOSRNMEA-CYBMUJFWSA-N 0 3 265.784 3.776 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000184987976 1117746751 /nfs/dbraw/zinc/74/67/51/1117746751.db2.gz DTMIRESHCBCJSE-UHFFFAOYSA-N 0 3 281.277 3.759 20 10 CHCDHN Cc1cccc([C@H](C)[N@H+](C)Cc2ccccc2[O-])c1 ZINC000072629620 1117782526 /nfs/dbraw/zinc/78/25/26/1117782526.db2.gz UMHSCKGLBIKFBV-AWEZNQCLSA-N 0 3 255.361 3.894 20 10 CHCDHN Cc1cccc([C@H](C)[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000072629620 1117782528 /nfs/dbraw/zinc/78/25/28/1117782528.db2.gz UMHSCKGLBIKFBV-AWEZNQCLSA-N 0 3 255.361 3.894 20 10 CHCDHN CSCCCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186771053 1117783588 /nfs/dbraw/zinc/78/35/88/1117783588.db2.gz MMKUSGTWGJBIHH-CYBMUJFWSA-N 0 3 267.438 3.885 20 10 CHCDHN CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185494632 1117830329 /nfs/dbraw/zinc/83/03/29/1117830329.db2.gz ZYCGQRNFRUQWIF-KBPBESRZSA-N 0 3 265.397 3.556 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000325064048 1117842636 /nfs/dbraw/zinc/84/26/36/1117842636.db2.gz UCQRPVVUNFEKPB-PXAZEXFGSA-N 0 3 259.393 3.930 20 10 CHCDHN CCO[C@@H](CC[NH2+][C@H](C)c1cc(F)ccc1[O-])C(C)C ZINC000185625825 1117859900 /nfs/dbraw/zinc/85/99/00/1117859900.db2.gz VAZNXVKRZLNBOH-WBMJQRKESA-N 0 3 283.387 3.633 20 10 CHCDHN CCO[C@@H](CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])C(C)C ZINC000185625798 1117859918 /nfs/dbraw/zinc/85/99/18/1117859918.db2.gz VAZNXVKRZLNBOH-LRDDRELGSA-N 0 3 283.387 3.633 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCOCc2ccccc2)c([O-])c1 ZINC000185633193 1117860310 /nfs/dbraw/zinc/86/03/10/1117860310.db2.gz FZOASPSUMWJMNF-HNNXBMFYSA-N 0 3 285.387 3.568 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cc(F)ccc2F)c([O-])c1 ZINC000185633847 1117860778 /nfs/dbraw/zinc/86/07/78/1117860778.db2.gz DKAHOAUSOUAQIE-GFCCVEGCSA-N 0 3 291.341 3.872 20 10 CHCDHN C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccccc1[O-] ZINC000179576738 1128749806 /nfs/dbraw/zinc/74/98/06/1128749806.db2.gz YLCRFNSYHOGBER-YOEHRIQHSA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1[O-] ZINC000179576738 1128749811 /nfs/dbraw/zinc/74/98/11/1128749811.db2.gz YLCRFNSYHOGBER-YOEHRIQHSA-N 0 3 267.372 3.770 20 10 CHCDHN CCN(CC)c1ccc(CN(C)Cc2ccc(C)nc2)cc1 ZINC000765567445 1118171409 /nfs/dbraw/zinc/17/14/09/1118171409.db2.gz UGOILNBZDZSMGX-UHFFFAOYSA-N 0 3 297.446 3.868 20 10 CHCDHN C[C@@H]([NH2+]CCOC1CCCCCC1)c1ccccc1[O-] ZINC000179875642 1128763624 /nfs/dbraw/zinc/76/36/24/1128763624.db2.gz UIXGQWGMVQZBDZ-CQSZACIVSA-N 0 3 277.408 3.782 20 10 CHCDHN C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cc(F)ccc1[O-] ZINC000188664706 1128764392 /nfs/dbraw/zinc/76/43/92/1128764392.db2.gz PZRPTNKZJJUEBN-YVEFUNNKSA-N 0 3 295.398 3.513 20 10 CHCDHN COc1cnccc1[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000188782247 1128765069 /nfs/dbraw/zinc/76/50/69/1128765069.db2.gz XYULIXUVXMSLIV-STQMWFEESA-N 0 3 286.375 3.516 20 10 CHCDHN CC[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccccc1[O-] ZINC000188660444 1118326175 /nfs/dbraw/zinc/32/61/75/1118326175.db2.gz CJFAGPCKXPBMNE-FUHWJXTLSA-N 0 3 291.435 3.764 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])s1 ZINC000180068041 1128774044 /nfs/dbraw/zinc/77/40/44/1128774044.db2.gz LUGDDYZISKKPNF-UHFFFAOYSA-N 0 3 265.353 3.533 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2cc(F)ccc2[O-])s1 ZINC000180068041 1128774047 /nfs/dbraw/zinc/77/40/47/1128774047.db2.gz LUGDDYZISKKPNF-UHFFFAOYSA-N 0 3 265.353 3.533 20 10 CHCDHN C[C@H]([NH2+]CCCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000148592952 1119336496 /nfs/dbraw/zinc/33/64/96/1119336496.db2.gz UEYPGXGIPPAGKK-QMMMGPOBSA-N 0 3 265.250 3.524 20 10 CHCDHN CC(C)(C)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000708455632 1119468691 /nfs/dbraw/zinc/46/86/91/1119468691.db2.gz XDYLXSSLERIJFR-ZDUSSCGKSA-N 0 3 265.372 3.789 20 10 CHCDHN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000708455632 1119468693 /nfs/dbraw/zinc/46/86/93/1119468693.db2.gz XDYLXSSLERIJFR-ZDUSSCGKSA-N 0 3 265.372 3.789 20 10 CHCDHN C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(F)ccc1[O-] ZINC000176981110 1119682415 /nfs/dbraw/zinc/68/24/15/1119682415.db2.gz LRTRENPNXSJSNY-GFCCVEGCSA-N 0 3 298.361 3.906 20 10 CHCDHN C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(F)ccc1[O-] ZINC000176981098 1119682757 /nfs/dbraw/zinc/68/27/57/1119682757.db2.gz LRTRENPNXSJSNY-LBPRGKRZSA-N 0 3 298.361 3.906 20 10 CHCDHN Cc1ccc([C@H](C)[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000179557081 1119751823 /nfs/dbraw/zinc/75/18/23/1119751823.db2.gz BUSWAMKOELKSDA-AWEZNQCLSA-N 0 3 255.361 3.894 20 10 CHCDHN Cc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000179557081 1119751826 /nfs/dbraw/zinc/75/18/26/1119751826.db2.gz BUSWAMKOELKSDA-AWEZNQCLSA-N 0 3 255.361 3.894 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000694289316 1119836200 /nfs/dbraw/zinc/83/62/00/1119836200.db2.gz SAPXOHCNZJCAEB-SUNKGSAMSA-N 0 3 295.810 3.580 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cc(F)ccc2F)c(O)c1 ZINC000107929045 1120062569 /nfs/dbraw/zinc/06/25/69/1120062569.db2.gz SHFNFUSABBXYFE-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN CCOc1c(Cl)cccc1CNCc1ccccc1O ZINC000785446444 1120094559 /nfs/dbraw/zinc/09/45/59/1120094559.db2.gz RGHHYVXNMLUILR-UHFFFAOYSA-N 0 3 291.778 3.734 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC3CCC2CC3)c([O-])c1 ZINC000311858332 1120113159 /nfs/dbraw/zinc/11/31/59/1120113159.db2.gz JZWCFEQPSUPJAP-WOICTCIZSA-N 0 3 259.393 3.930 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780520395 1120159246 /nfs/dbraw/zinc/15/92/46/1120159246.db2.gz OMVJJOBLOXKYJU-WMZOPIPTSA-N 0 3 281.399 3.893 20 10 CHCDHN CCCC[C@H](C)[N@H+](C)Cc1cccc(OCC)c1[O-] ZINC000311996827 1120210414 /nfs/dbraw/zinc/21/04/14/1120210414.db2.gz QXDYEXSGASYBRF-ZDUSSCGKSA-N 0 3 265.397 3.801 20 10 CHCDHN CCCC[C@H](C)[N@@H+](C)Cc1cccc(OCC)c1[O-] ZINC000311996827 1120210418 /nfs/dbraw/zinc/21/04/18/1120210418.db2.gz QXDYEXSGASYBRF-ZDUSSCGKSA-N 0 3 265.397 3.801 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCc2cccs2)c2c1c(F)ccc2[O-] ZINC000756373115 1120276145 /nfs/dbraw/zinc/27/61/45/1120276145.db2.gz SZTRYKSZAYZRDK-GWCFXTLKSA-N 0 3 291.391 3.973 20 10 CHCDHN C[C@@H](NCc1ccnn1C1CCC1)c1ccc(N(C)C)cc1 ZINC000922015437 1120336786 /nfs/dbraw/zinc/33/67/86/1120336786.db2.gz PTCNVJFIYVOSMP-CQSZACIVSA-N 0 3 298.434 3.525 20 10 CHCDHN CC[C@H]([NH2+]CCOc1cccc(F)c1)c1ccccc1[O-] ZINC000183322537 1120340294 /nfs/dbraw/zinc/34/02/94/1120340294.db2.gz KHFSSWGVUMTVOU-INIZCTEOSA-N 0 3 289.350 3.651 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1c(C)noc1C)c1ccccc1[O-] ZINC000092327880 1120356880 /nfs/dbraw/zinc/35/68/80/1120356880.db2.gz MXXMWIQLBNGNBV-IINYFYTJSA-N 0 3 274.364 3.799 20 10 CHCDHN Cc1ccccc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000312458673 1120429872 /nfs/dbraw/zinc/42/98/72/1120429872.db2.gz ADPBHBMPFBJENH-INIZCTEOSA-N 0 3 267.372 3.520 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1[O-] ZINC000922328654 1120514283 /nfs/dbraw/zinc/51/42/83/1120514283.db2.gz GRGOMRVVXBUDIR-CYBMUJFWSA-N 0 3 283.371 3.568 20 10 CHCDHN Cc1cccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000312650572 1120523117 /nfs/dbraw/zinc/52/31/17/1120523117.db2.gz FLFWIAUCIUJIFI-MRXNPFEDSA-N 0 3 267.372 3.520 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000191516177 1128942015 /nfs/dbraw/zinc/94/20/15/1128942015.db2.gz YGERUIRLFJDSDW-JTQLQIEISA-N 0 3 295.304 3.703 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000312010508 1120982943 /nfs/dbraw/zinc/98/29/43/1120982943.db2.gz WGPZCKMBMGVJHA-INIZCTEOSA-N 0 3 259.393 3.985 20 10 CHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C)CC3)c2c1 ZINC000006209050 1121043925 /nfs/dbraw/zinc/04/39/25/1121043925.db2.gz XHXATCXJJZRNED-UHFFFAOYSA-N 0 3 285.387 3.786 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000763517894 1128960559 /nfs/dbraw/zinc/96/05/59/1128960559.db2.gz JUBRULBOYPIDJX-MORSLUCNSA-N 0 3 297.398 3.683 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(F)c2F)c1 ZINC000182405584 1128966313 /nfs/dbraw/zinc/96/63/13/1128966313.db2.gz QHGHDGXKBVVYPT-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC(C)(C)O1 ZINC000065224535 1121203454 /nfs/dbraw/zinc/20/34/54/1121203454.db2.gz FPWFSFMGJVHHCU-CYBMUJFWSA-N 0 3 285.387 3.545 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC(C)(C)O1 ZINC000065224535 1121203462 /nfs/dbraw/zinc/20/34/62/1121203462.db2.gz FPWFSFMGJVHHCU-CYBMUJFWSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@H]([NH2+]CCSC(C)C)c1ccccc1[O-] ZINC000283084273 1121588264 /nfs/dbraw/zinc/58/82/64/1121588264.db2.gz KXAMEEHLQSCFDB-ZDUSSCGKSA-N 0 3 253.411 3.575 20 10 CHCDHN CCCN(Cc1nc2ccccc2o1)Cc1ccccc1O ZINC000727831072 1121751123 /nfs/dbraw/zinc/75/11/23/1121751123.db2.gz HAJGFFQHFYWCSE-UHFFFAOYSA-N 0 3 296.370 3.946 20 10 CHCDHN CCC[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732819897 1121941181 /nfs/dbraw/zinc/94/11/81/1121941181.db2.gz BXFPVPSAFLLEHJ-IBGZPJMESA-N 0 3 299.414 3.700 20 10 CHCDHN CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732820618 1121941403 /nfs/dbraw/zinc/94/14/03/1121941403.db2.gz NDLZZIIQMBQPGJ-KUHUBIRLSA-N 0 3 299.414 3.556 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](OC)[C@H](C)CC ZINC001180194734 1121965689 /nfs/dbraw/zinc/96/56/89/1121965689.db2.gz MAEQHOWKZHSHKO-PBHICJAKSA-N 0 3 279.424 3.665 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](OC)[C@H](C)CC ZINC001180194734 1121965691 /nfs/dbraw/zinc/96/56/91/1121965691.db2.gz MAEQHOWKZHSHKO-PBHICJAKSA-N 0 3 279.424 3.665 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c([O-])c1 ZINC000779605575 1129032190 /nfs/dbraw/zinc/03/21/90/1129032190.db2.gz UUFJBDBYCLJZAK-CQSZACIVSA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c([O-])c1 ZINC000779605575 1129032192 /nfs/dbraw/zinc/03/21/92/1129032192.db2.gz UUFJBDBYCLJZAK-CQSZACIVSA-N 0 3 289.419 3.803 20 10 CHCDHN CC(C)[C@@H](NCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000774407706 1122162154 /nfs/dbraw/zinc/16/21/54/1122162154.db2.gz XZJGFHCIOBPDPS-GOSISDBHSA-N 0 3 282.387 3.503 20 10 CHCDHN Cc1ccc(C[NH2+]CC(C)(C)c2ccccc2)c([O-])c1 ZINC001182795694 1122186981 /nfs/dbraw/zinc/18/69/81/1122186981.db2.gz JLRSMPLETJAAAS-UHFFFAOYSA-N 0 3 269.388 3.768 20 10 CHCDHN COc1cc(C)c(C[NH2+]CCc2ccc(C)c(C)c2)c([O-])c1 ZINC001182817036 1122190348 /nfs/dbraw/zinc/19/03/48/1122190348.db2.gz PGTOMRKJYSHQSS-UHFFFAOYSA-N 0 3 299.414 3.658 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(N(C)C)c2)c([O-])c1 ZINC000273368969 1122230384 /nfs/dbraw/zinc/23/03/84/1122230384.db2.gz CEBLMPLVYAIWFF-AWEZNQCLSA-N 0 3 284.403 3.617 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)c2)c([O-])c1 ZINC000273368971 1122230739 /nfs/dbraw/zinc/23/07/39/1122230739.db2.gz CEBLMPLVYAIWFF-CQSZACIVSA-N 0 3 284.403 3.617 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000273386367 1122230830 /nfs/dbraw/zinc/23/08/30/1122230830.db2.gz CTMJLAVDHLXHEI-QLFBSQMISA-N 0 3 277.408 3.556 20 10 CHCDHN COCC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccco1 ZINC000273391110 1122231521 /nfs/dbraw/zinc/23/15/21/1122231521.db2.gz DNDKQVORCMZDNW-BXUZGUMPSA-N 0 3 293.338 3.553 20 10 CHCDHN Cc1ccc([C@H](C)N[C@H](C)c2ccccn2)c(O)c1C ZINC000273427570 1122232429 /nfs/dbraw/zinc/23/24/29/1122232429.db2.gz UREUJQODVBPUCE-UONOGXRCSA-N 0 3 270.376 3.816 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c1[O-] ZINC001203602260 1122302775 /nfs/dbraw/zinc/30/27/75/1122302775.db2.gz LSTGZLFKRPTXRI-UONOGXRCSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c1[O-] ZINC001203602260 1122302781 /nfs/dbraw/zinc/30/27/81/1122302781.db2.gz LSTGZLFKRPTXRI-UONOGXRCSA-N 0 3 277.408 3.659 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)c1ccccc1 ZINC000183419192 1129053412 /nfs/dbraw/zinc/05/34/12/1129053412.db2.gz DOZBMEWVSPJCRK-GJZGRUSLSA-N 0 3 284.403 3.568 20 10 CHCDHN C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1[O-] ZINC000183510843 1129060366 /nfs/dbraw/zinc/06/03/66/1129060366.db2.gz WDVPTBKWXMSDLB-DNGMOHDESA-N 0 3 253.345 3.756 20 10 CHCDHN CCc1ncc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775364373 1122526910 /nfs/dbraw/zinc/52/69/10/1122526910.db2.gz POEAMNURUASDND-GFCCVEGCSA-N 0 3 289.448 3.622 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1[O-] ZINC000775500895 1122629643 /nfs/dbraw/zinc/62/96/43/1122629643.db2.gz MEVMGYNDPFVXMK-INIZCTEOSA-N 0 3 283.371 3.568 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@@](C)(OC)C1(C)C)c1ccccc1[O-] ZINC000775513164 1122633816 /nfs/dbraw/zinc/63/38/16/1122633816.db2.gz OONHHJIOUSRLHJ-JLJPHGGASA-N 0 3 277.408 3.637 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)cc1F)c1ccccc1[O-] ZINC000775526512 1122644165 /nfs/dbraw/zinc/64/41/65/1122644165.db2.gz KWBBLHSABMKOHJ-MRXNPFEDSA-N 0 3 289.350 3.781 20 10 CHCDHN COCC1(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000293624807 1122715754 /nfs/dbraw/zinc/71/57/54/1122715754.db2.gz FZONSZSUEIQVJY-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN COc1ccc(O)c(CN2CCc3sccc3[C@@H]2C)c1 ZINC000775647673 1122861198 /nfs/dbraw/zinc/86/11/98/1122861198.db2.gz XWTQYEGNPKIIPW-NSHDSACASA-N 0 3 289.400 3.582 20 10 CHCDHN Cc1cccc(CN2CCO[C@H](c3ccccc3C)C2)c1O ZINC000775703139 1122915196 /nfs/dbraw/zinc/91/51/96/1122915196.db2.gz KVQXCMMLCZLGMV-SFHVURJKSA-N 0 3 297.398 3.583 20 10 CHCDHN Cc1cccc(CN2CCO[C@@H](c3ccccc3C)C2)c1O ZINC000775703138 1122915729 /nfs/dbraw/zinc/91/57/29/1122915729.db2.gz KVQXCMMLCZLGMV-GOSISDBHSA-N 0 3 297.398 3.583 20 10 CHCDHN CO[C@@H](C)C[N@H+](Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000775715231 1122922387 /nfs/dbraw/zinc/92/23/87/1122922387.db2.gz USTMPIKYXLLAHV-LBPRGKRZSA-N 0 3 285.815 3.599 20 10 CHCDHN CO[C@@H](C)C[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000775715231 1122922389 /nfs/dbraw/zinc/92/23/89/1122922389.db2.gz USTMPIKYXLLAHV-LBPRGKRZSA-N 0 3 285.815 3.599 20 10 CHCDHN CCN(Cc1ccc(Cl)cc1)Cc1ccc(O)c(O)c1 ZINC001203880610 1122959049 /nfs/dbraw/zinc/95/90/49/1122959049.db2.gz VYINTVWEJHQADY-UHFFFAOYSA-N 0 3 291.778 3.773 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3ccccc32)c([O-])c1 ZINC000850373279 1123259652 /nfs/dbraw/zinc/25/96/52/1123259652.db2.gz HDWUWAODAFFXHE-QGZVFWFLSA-N 0 3 283.371 3.568 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1ccc(C)cc1[O-] ZINC000850481643 1123273554 /nfs/dbraw/zinc/27/35/54/1123273554.db2.gz IHMFWOAETPCYHH-ZBFHGGJFSA-N 0 3 284.403 3.940 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(C)cc1[O-] ZINC000850530584 1123285447 /nfs/dbraw/zinc/28/54/47/1123285447.db2.gz ZZQQAKACHAVTQC-JENIJYKNSA-N 0 3 297.398 3.920 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccccc1[O-] ZINC000850530241 1123285454 /nfs/dbraw/zinc/28/54/54/1123285454.db2.gz XTTKWQMIMRVCPM-BQFCYCMXSA-N 0 3 283.371 3.611 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccccc1[O-] ZINC000850536001 1123287030 /nfs/dbraw/zinc/28/70/30/1123287030.db2.gz GNKSCTXIHZZZAC-JSGCOSHPSA-N 0 3 269.335 3.868 20 10 CHCDHN CC[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1[O-] ZINC000109770427 1123326479 /nfs/dbraw/zinc/32/64/79/1123326479.db2.gz CBBUJYCIIPVJLA-MRXNPFEDSA-N 0 3 255.361 3.975 20 10 CHCDHN CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000109770427 1123326482 /nfs/dbraw/zinc/32/64/82/1123326482.db2.gz CBBUJYCIIPVJLA-MRXNPFEDSA-N 0 3 255.361 3.975 20 10 CHCDHN CC[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCS1 ZINC001204769370 1123425173 /nfs/dbraw/zinc/42/51/73/1123425173.db2.gz SZRHVJWAALEWMG-FUTAKVPZSA-N 0 3 290.476 3.593 20 10 CHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)O1 ZINC000111168328 1123428056 /nfs/dbraw/zinc/42/80/56/1123428056.db2.gz ACNKTYNDCMHGMV-DZGCQCFKSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)O1 ZINC000111168328 1123428057 /nfs/dbraw/zinc/42/80/57/1123428057.db2.gz ACNKTYNDCMHGMV-DZGCQCFKSA-N 0 3 285.387 3.545 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccn1)C1CCCC1 ZINC000113506128 1123529859 /nfs/dbraw/zinc/52/98/59/1123529859.db2.gz PCKOCVVTBVDAPH-UHFFFAOYSA-N 0 3 282.387 3.732 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccn1)C1CCCC1 ZINC000113506128 1123529862 /nfs/dbraw/zinc/52/98/62/1123529862.db2.gz PCKOCVVTBVDAPH-UHFFFAOYSA-N 0 3 282.387 3.732 20 10 CHCDHN COc1ccc(C)cc1CNCc1ccc(N(C)C)cc1C ZINC000115629511 1123620276 /nfs/dbraw/zinc/62/02/76/1123620276.db2.gz SEAJJWLLAWAHQL-UHFFFAOYSA-N 0 3 298.430 3.668 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c1[O-] ZINC000228631324 1123634668 /nfs/dbraw/zinc/63/46/68/1123634668.db2.gz KPFGFBCITUUHPG-MNOVXSKESA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c1[O-] ZINC000228631324 1123634669 /nfs/dbraw/zinc/63/46/69/1123634669.db2.gz KPFGFBCITUUHPG-MNOVXSKESA-N 0 3 283.799 3.675 20 10 CHCDHN CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[O-] ZINC000276200533 1129142878 /nfs/dbraw/zinc/14/28/78/1129142878.db2.gz NPVDXHXLWNNOLV-GFCCVEGCSA-N 0 3 273.298 3.555 20 10 CHCDHN CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[O-] ZINC000276200533 1129142881 /nfs/dbraw/zinc/14/28/81/1129142881.db2.gz NPVDXHXLWNNOLV-GFCCVEGCSA-N 0 3 273.298 3.555 20 10 CHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1C(C)C ZINC000783546684 1123744916 /nfs/dbraw/zinc/74/49/16/1123744916.db2.gz SLLSXRTVRJWXLG-SOUVJXGZSA-N 0 3 291.435 3.822 20 10 CHCDHN CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[O-] ZINC000276200536 1129143152 /nfs/dbraw/zinc/14/31/52/1129143152.db2.gz NPVDXHXLWNNOLV-LBPRGKRZSA-N 0 3 273.298 3.555 20 10 CHCDHN CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[O-] ZINC000276200536 1129143154 /nfs/dbraw/zinc/14/31/54/1129143154.db2.gz NPVDXHXLWNNOLV-LBPRGKRZSA-N 0 3 273.298 3.555 20 10 CHCDHN COCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000195527393 1129146266 /nfs/dbraw/zinc/14/62/66/1129146266.db2.gz JDQLPKDMRZWDSN-HNNXBMFYSA-N 0 3 285.387 3.602 20 10 CHCDHN COCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000195527393 1129146268 /nfs/dbraw/zinc/14/62/68/1129146268.db2.gz JDQLPKDMRZWDSN-HNNXBMFYSA-N 0 3 285.387 3.602 20 10 CHCDHN COCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000195527394 1129146359 /nfs/dbraw/zinc/14/63/59/1129146359.db2.gz JDQLPKDMRZWDSN-OAHLLOKOSA-N 0 3 285.387 3.602 20 10 CHCDHN COCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000195527394 1129146360 /nfs/dbraw/zinc/14/63/60/1129146360.db2.gz JDQLPKDMRZWDSN-OAHLLOKOSA-N 0 3 285.387 3.602 20 10 CHCDHN CCOc1ccc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c([O-])c1 ZINC000862444678 1123811698 /nfs/dbraw/zinc/81/16/98/1123811698.db2.gz XPSBAEBLKKFOCV-VXGBXAGGSA-N 0 3 299.361 3.514 20 10 CHCDHN Cc1cc(CNCc2ccc3c(c2)CCCN3C)c(C)o1 ZINC000119414069 1123863134 /nfs/dbraw/zinc/86/31/34/1123863134.db2.gz LPPNDDLKBFIMFW-UHFFFAOYSA-N 0 3 284.403 3.569 20 10 CHCDHN CC[C@H]([NH2+]CCN(C(C)C)C(C)C)c1ccccc1[O-] ZINC000084523727 1129153583 /nfs/dbraw/zinc/15/35/83/1129153583.db2.gz VJUKENBSOHYZPQ-INIZCTEOSA-N 0 3 278.440 3.552 20 10 CHCDHN CC[C@@H]([NH2+]CCOc1ccccc1)c1ccc(C)cc1[O-] ZINC000794797514 1123949668 /nfs/dbraw/zinc/94/96/68/1123949668.db2.gz ZOLKIMMZRBFNGN-QGZVFWFLSA-N 0 3 285.387 3.820 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794802496 1123950375 /nfs/dbraw/zinc/95/03/75/1123950375.db2.gz NNWGJFXGCOJDBK-MJGOQNOKSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(C)cc1[O-] ZINC000794800311 1123950829 /nfs/dbraw/zinc/95/08/29/1123950829.db2.gz CHMGFFZXTFUYEX-PBHICJAKSA-N 0 3 284.403 3.940 20 10 CHCDHN CC[C@@H]([NH2+]CCCCCOC)c1ccc(C)cc1[O-] ZINC000794803519 1123952333 /nfs/dbraw/zinc/95/23/33/1123952333.db2.gz JMPUBPFTFORYLR-OAHLLOKOSA-N 0 3 265.397 3.558 20 10 CHCDHN CC[C@@H]([NH2+]CCOC1CCCC1)c1ccc(C)cc1[O-] ZINC000794807290 1123954126 /nfs/dbraw/zinc/95/41/26/1123954126.db2.gz XMAVQVFHSFSCSK-MRXNPFEDSA-N 0 3 277.408 3.701 20 10 CHCDHN CC[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(C)cc1[O-] ZINC000794805616 1123955305 /nfs/dbraw/zinc/95/53/05/1123955305.db2.gz XWQCTQLLEMEOLB-OAHLLOKOSA-N 0 3 279.424 3.540 20 10 CHCDHN CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794809110 1123957020 /nfs/dbraw/zinc/95/70/20/1123957020.db2.gz QJILAAXDZXXUAD-DOTOQJQBSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794817031 1123959717 /nfs/dbraw/zinc/95/97/17/1123959717.db2.gz OHRLIJIPGMQYFX-IEBWSBKVSA-N 0 3 299.414 3.783 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865781953 1124014649 /nfs/dbraw/zinc/01/46/49/1124014649.db2.gz KICXSQOWOWQTQI-WCQYABFASA-N 0 3 285.309 3.627 20 10 CHCDHN Cc1cccc(F)c1CNCc1ccc(N(C)C)cc1C ZINC000840935281 1124030706 /nfs/dbraw/zinc/03/07/06/1124030706.db2.gz KKLHNIKNOQUHGF-UHFFFAOYSA-N 0 3 286.394 3.798 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCSC2)c([O-])c1 ZINC000866404899 1124063718 /nfs/dbraw/zinc/06/37/18/1124063718.db2.gz XHAFYJREEBLEAF-KBPBESRZSA-N 0 3 279.449 3.803 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c([O-])c1 ZINC000866403551 1124063962 /nfs/dbraw/zinc/06/39/62/1124063962.db2.gz BHUVLOJXLZIGLF-BJZITVGISA-N 0 3 297.398 3.881 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cccc(F)c2F)c(O)c1 ZINC000866476132 1124069802 /nfs/dbraw/zinc/06/98/02/1124069802.db2.gz IOESEAJDYINMNF-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN CC[C@@H](NCc1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000866479621 1124071095 /nfs/dbraw/zinc/07/10/95/1124071095.db2.gz XQWPYSYEIQOVCN-QGZVFWFLSA-N 0 3 272.392 3.895 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)o1 ZINC000866479096 1124071174 /nfs/dbraw/zinc/07/11/74/1124071174.db2.gz PSMYDFVTNXTZJQ-RNCFNFMXSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000866479096 1124071176 /nfs/dbraw/zinc/07/11/76/1124071176.db2.gz PSMYDFVTNXTZJQ-RNCFNFMXSA-N 0 3 275.323 3.771 20 10 CHCDHN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000866491474 1124072543 /nfs/dbraw/zinc/07/25/43/1124072543.db2.gz RWQGTOCNMZXTJZ-MZPVMMEZSA-N 0 3 293.382 3.530 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c([O-])c1 ZINC000866529660 1124078808 /nfs/dbraw/zinc/07/88/08/1124078808.db2.gz RJXDFCMBXDFFCP-GJZGRUSLSA-N 0 3 289.419 3.558 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccccc1[O-] ZINC000873236879 1124753342 /nfs/dbraw/zinc/75/33/42/1124753342.db2.gz JYFASCWDWIXKLR-KGLIPLIRSA-N 0 3 282.387 3.642 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(C)cc1[O-] ZINC000873288861 1124762618 /nfs/dbraw/zinc/76/26/18/1124762618.db2.gz MZBWIBWATRYLMF-INIZCTEOSA-N 0 3 288.366 3.663 20 10 CHCDHN COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000020088163 1124804498 /nfs/dbraw/zinc/80/44/98/1124804498.db2.gz PBCYGEVDMBCNOZ-AWEZNQCLSA-N 0 3 285.387 3.603 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000876636254 1124965508 /nfs/dbraw/zinc/96/55/08/1124965508.db2.gz DAEBJCJHBUGGNC-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000876636254 1124965515 /nfs/dbraw/zinc/96/55/15/1124965515.db2.gz DAEBJCJHBUGGNC-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000876683445 1124971228 /nfs/dbraw/zinc/97/12/28/1124971228.db2.gz BSQIVOXCULHBSH-IBGZPJMESA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000876683445 1124971231 /nfs/dbraw/zinc/97/12/31/1124971231.db2.gz BSQIVOXCULHBSH-IBGZPJMESA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c([O-])c1 ZINC000876886174 1124986448 /nfs/dbraw/zinc/98/64/48/1124986448.db2.gz RZZAWJRRQURHFI-KRWDZBQOSA-N 0 3 267.372 3.868 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@H]2NCc1c(C)cccc1O ZINC000876876064 1124987263 /nfs/dbraw/zinc/98/72/63/1124987263.db2.gz JLAXPNVOIDBSDR-MRXNPFEDSA-N 0 3 283.371 3.541 20 10 CHCDHN Cc1ccc(CN[C@H]2COc3c2ccc(C)c3C)c(O)c1 ZINC000876876776 1124987359 /nfs/dbraw/zinc/98/73/59/1124987359.db2.gz UQCCKGXOSDHGBP-INIZCTEOSA-N 0 3 283.371 3.541 20 10 CHCDHN Cc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)c(O)c1 ZINC000876946427 1124991805 /nfs/dbraw/zinc/99/18/05/1124991805.db2.gz QYMUWTZBQIPMTM-DOMZBBRYSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1cccc(O)c1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000876945613 1124991817 /nfs/dbraw/zinc/99/18/17/1124991817.db2.gz GLKSEFPUONIZKE-OCCSQVGLSA-N 0 3 271.360 3.707 20 10 CHCDHN CC(C)O[C@H](C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000876996056 1124996114 /nfs/dbraw/zinc/99/61/14/1124996114.db2.gz MUDINKBUSYMRKL-GOSISDBHSA-N 0 3 285.387 3.648 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c([O-])c1 ZINC000877038525 1125000799 /nfs/dbraw/zinc/00/07/99/1125000799.db2.gz RFFNLOMFAPCNCZ-RDJZCZTQSA-N 0 3 291.435 3.632 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000877377137 1125023952 /nfs/dbraw/zinc/02/39/52/1125023952.db2.gz VZUREGKNLBRDQL-HKUYNNGSSA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000877343212 1125024720 /nfs/dbraw/zinc/02/47/20/1125024720.db2.gz VXDAANLUIBIBSB-YOEHRIQHSA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000877343212 1125024729 /nfs/dbraw/zinc/02/47/29/1125024729.db2.gz VXDAANLUIBIBSB-YOEHRIQHSA-N 0 3 282.387 3.679 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C)cc2F)c1 ZINC000877532401 1125040708 /nfs/dbraw/zinc/04/07/08/1125040708.db2.gz FVLPHUVYVWQPIH-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCSC3(CCC3)CC2)c([O-])c1 ZINC000877587035 1125049916 /nfs/dbraw/zinc/04/99/16/1125049916.db2.gz BOXIVPPHKIRQSY-UHFFFAOYSA-N 0 3 277.433 3.562 20 10 CHCDHN Cc1ccc(C[N@H+]2CCSC3(CCC3)CC2)c([O-])c1 ZINC000877587035 1125049922 /nfs/dbraw/zinc/04/99/22/1125049922.db2.gz BOXIVPPHKIRQSY-UHFFFAOYSA-N 0 3 277.433 3.562 20 10 CHCDHN Cc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)c([O-])c1 ZINC000877644516 1125058109 /nfs/dbraw/zinc/05/81/09/1125058109.db2.gz WVIVIPSTBBGACB-UHFFFAOYSA-N 0 3 275.314 3.769 20 10 CHCDHN Cc1ccc(CNCc2ccc(C(C)(C)C)o2)c(O)c1 ZINC000877734668 1125069717 /nfs/dbraw/zinc/06/97/17/1125069717.db2.gz DNZBTKDHYKZHQS-UHFFFAOYSA-N 0 3 273.376 3.881 20 10 CHCDHN CCOc1cc(F)cc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000877757976 1125073788 /nfs/dbraw/zinc/07/37/88/1125073788.db2.gz BFQJRACPDINWSM-LBPRGKRZSA-N 0 3 289.350 3.781 20 10 CHCDHN COc1ccc(CN[C@@H](C)c2ccccc2O)c(Cl)c1 ZINC000877757124 1125074323 /nfs/dbraw/zinc/07/43/23/1125074323.db2.gz ICXXQISUGXOLBT-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000877757124 1125074324 /nfs/dbraw/zinc/07/43/24/1125074324.db2.gz ICXXQISUGXOLBT-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)[nH]n1 ZINC000877785376 1125081689 /nfs/dbraw/zinc/08/16/89/1125081689.db2.gz YRZAGCGMCNFDBD-AWEZNQCLSA-N 0 3 299.418 3.618 20 10 CHCDHN CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)[nH]n1 ZINC000877785376 1125081696 /nfs/dbraw/zinc/08/16/96/1125081696.db2.gz YRZAGCGMCNFDBD-AWEZNQCLSA-N 0 3 299.418 3.618 20 10 CHCDHN CC[C@@H](NCc1cccc(C)n1)c1ccc(N(C)C)cc1 ZINC000127264441 1125170273 /nfs/dbraw/zinc/17/02/73/1125170273.db2.gz DQPIVKLXAVVCJV-GOSISDBHSA-N 0 3 283.419 3.697 20 10 CHCDHN COCC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879650550 1125224397 /nfs/dbraw/zinc/22/43/97/1125224397.db2.gz GYXBGOUWGRBJGA-WMLDXEAASA-N 0 3 285.387 3.821 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000228670568 1125250949 /nfs/dbraw/zinc/25/09/49/1125250949.db2.gz LOAQSJXTHRIJCL-MFKMUULPSA-N 0 3 283.799 3.723 20 10 CHCDHN Cn1cccc1C[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000128371517 1125268533 /nfs/dbraw/zinc/26/85/33/1125268533.db2.gz VZLOJCSZAHXNOL-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN Cn1cccc1C[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000128371517 1125268539 /nfs/dbraw/zinc/26/85/39/1125268539.db2.gz VZLOJCSZAHXNOL-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccns2)c1[O-] ZINC000883247717 1125384328 /nfs/dbraw/zinc/38/43/28/1125384328.db2.gz TWCRHGCGDWOESG-SNVBAGLBSA-N 0 3 296.823 3.704 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCC[C@H]2CC)c1[O-] ZINC000131545573 1125397770 /nfs/dbraw/zinc/39/77/70/1125397770.db2.gz YBBMYPOKXGZUGR-CQSZACIVSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCC[C@H]2CC)c1[O-] ZINC000131545573 1125397774 /nfs/dbraw/zinc/39/77/74/1125397774.db2.gz YBBMYPOKXGZUGR-CQSZACIVSA-N 0 3 263.381 3.555 20 10 CHCDHN CC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000245892653 1129232435 /nfs/dbraw/zinc/23/24/35/1129232435.db2.gz MJSQBUXBCPQAHC-QAPCUYQASA-N 0 3 299.414 3.726 20 10 CHCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000245892653 1129232436 /nfs/dbraw/zinc/23/24/36/1129232436.db2.gz MJSQBUXBCPQAHC-QAPCUYQASA-N 0 3 299.414 3.726 20 10 CHCDHN Cc1ccc(O)c(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000092486523 1129395356 /nfs/dbraw/zinc/39/53/56/1129395356.db2.gz HVCFHJHLHWILHV-KXBFYZLASA-N 0 3 297.398 3.663 20 10 CHCDHN COc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000093689640 1129427012 /nfs/dbraw/zinc/42/70/12/1129427012.db2.gz SEURTYUTNDHCMB-YOEHRIQHSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000093689640 1129427013 /nfs/dbraw/zinc/42/70/13/1129427013.db2.gz SEURTYUTNDHCMB-YOEHRIQHSA-N 0 3 297.398 3.779 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cc(F)ccc1[O-] ZINC000094616883 1129448505 /nfs/dbraw/zinc/44/85/05/1129448505.db2.gz UPTQAGQNQKBYRI-MEDUHNTESA-N 0 3 271.335 3.869 20 10 CHCDHN Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000094949938 1129456652 /nfs/dbraw/zinc/45/66/52/1129456652.db2.gz JOPLCTUFYJASCU-ZDUSSCGKSA-N 0 3 273.351 3.733 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC2=CCCCC2)c1[O-] ZINC000379579482 1129555528 /nfs/dbraw/zinc/55/55/28/1129555528.db2.gz HTZJQVIGJJGGHE-UHFFFAOYSA-N 0 3 281.783 3.644 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000766330129 1129603331 /nfs/dbraw/zinc/60/33/31/1129603331.db2.gz GXLLEPALNBYOGR-JQFCIGGWSA-N 0 3 291.435 3.943 20 10 CHCDHN CSC1CCC(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000720605405 1129670560 /nfs/dbraw/zinc/67/05/60/1129670560.db2.gz CEDQVNAHSKCVBI-HSBZDZAISA-N 0 3 279.449 3.965 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2(C)CC(F)(F)C2)c([O-])c1 ZINC000720901835 1129718854 /nfs/dbraw/zinc/71/88/54/1129718854.db2.gz USUYKYFSFCEELI-NSHDSACASA-N 0 3 269.335 3.787 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](OCC)C1CC1 ZINC001169754848 1129754103 /nfs/dbraw/zinc/75/41/03/1129754103.db2.gz QFFZOVFYBNKIQD-GOSISDBHSA-N 0 3 291.435 3.809 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](OCC)C1CC1 ZINC001169754848 1129754105 /nfs/dbraw/zinc/75/41/05/1129754105.db2.gz QFFZOVFYBNKIQD-GOSISDBHSA-N 0 3 291.435 3.809 20 10 CHCDHN CCC(CC)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000768160858 1129837854 /nfs/dbraw/zinc/83/78/54/1129837854.db2.gz AYPNQUSSXBHFLQ-QGZVFWFLSA-N 0 3 291.435 3.809 20 10 CHCDHN CCC(CC)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000768160858 1129837859 /nfs/dbraw/zinc/83/78/59/1129837859.db2.gz AYPNQUSSXBHFLQ-QGZVFWFLSA-N 0 3 291.435 3.809 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2cccc(F)c2)c([O-])c1 ZINC000768161285 1129838146 /nfs/dbraw/zinc/83/81/46/1129838146.db2.gz UZXQCOOEMYFGMX-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2cccc(F)c2)c([O-])c1 ZINC000768161285 1129838149 /nfs/dbraw/zinc/83/81/49/1129838149.db2.gz UZXQCOOEMYFGMX-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CN(C)c1ccc(CN(C)Cc2ccc(F)cc2)cc1F ZINC000768175432 1129838613 /nfs/dbraw/zinc/83/86/13/1129838613.db2.gz OZWSZELRLIKLDE-UHFFFAOYSA-N 0 3 290.357 3.663 20 10 CHCDHN CCOc1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000768232425 1129844982 /nfs/dbraw/zinc/84/49/82/1129844982.db2.gz AAKXEJMSIPHQHM-SFHVURJKSA-N 0 3 297.398 3.910 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC000768232425 1129844987 /nfs/dbraw/zinc/84/49/87/1129844987.db2.gz AAKXEJMSIPHQHM-SFHVURJKSA-N 0 3 297.398 3.910 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000768233699 1129845752 /nfs/dbraw/zinc/84/57/52/1129845752.db2.gz PJUCLLHWZBIIKE-MRXNPFEDSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000768233699 1129845757 /nfs/dbraw/zinc/84/57/57/1129845757.db2.gz PJUCLLHWZBIIKE-MRXNPFEDSA-N 0 3 283.371 3.520 20 10 CHCDHN CC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000768237974 1129847481 /nfs/dbraw/zinc/84/74/81/1129847481.db2.gz OISLHZZYVJQGPL-SFHVURJKSA-N 0 3 297.398 3.670 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1[O-] ZINC000768319336 1129850674 /nfs/dbraw/zinc/85/06/74/1129850674.db2.gz MXDGGVJFPVXAIZ-INIZCTEOSA-N 0 3 289.419 3.946 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1[O-] ZINC000768319336 1129850679 /nfs/dbraw/zinc/85/06/79/1129850679.db2.gz MXDGGVJFPVXAIZ-INIZCTEOSA-N 0 3 289.419 3.946 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])[C@@H]1CCCOC1 ZINC000723991083 1129851493 /nfs/dbraw/zinc/85/14/93/1129851493.db2.gz ZANHWFQCEXIXJZ-FMKPAKJESA-N 0 3 277.408 3.556 20 10 CHCDHN COc1cccc(C[N@H+](C2CC2)C2CCCCC2)c1[O-] ZINC000768336915 1129852344 /nfs/dbraw/zinc/85/23/44/1129852344.db2.gz ADHFHWIQFZBEFC-UHFFFAOYSA-N 0 3 275.392 3.698 20 10 CHCDHN COc1cccc(C[N@@H+](C2CC2)C2CCCCC2)c1[O-] ZINC000768336915 1129852348 /nfs/dbraw/zinc/85/23/48/1129852348.db2.gz ADHFHWIQFZBEFC-UHFFFAOYSA-N 0 3 275.392 3.698 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)c([O-])c1 ZINC000382067735 1129855057 /nfs/dbraw/zinc/85/50/57/1129855057.db2.gz GVUSFELGDQJPSM-VWLISTAJSA-N 0 3 289.419 3.705 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000800231358 1129857005 /nfs/dbraw/zinc/85/70/05/1129857005.db2.gz DFXPCRHYBXITCK-PBHICJAKSA-N 0 3 282.387 3.603 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000800276008 1129862296 /nfs/dbraw/zinc/86/22/96/1129862296.db2.gz HBFXVSYDNBCCRV-LBPRGKRZSA-N 0 3 299.361 3.706 20 10 CHCDHN CN(Cc1cnc2ccccc2c1)Cc1ccccc1O ZINC000768872343 1129877771 /nfs/dbraw/zinc/87/77/71/1129877771.db2.gz HIIKYUMYEFGAQT-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@H+](Cc1cnc2ccccc2c1)Cc1ccccc1[O-] ZINC000768872343 1129877777 /nfs/dbraw/zinc/87/77/77/1129877777.db2.gz HIIKYUMYEFGAQT-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1cnc2ccccc2c1)Cc1ccccc1[O-] ZINC000768872343 1129877782 /nfs/dbraw/zinc/87/77/82/1129877782.db2.gz HIIKYUMYEFGAQT-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1CC1 ZINC000768917108 1129881475 /nfs/dbraw/zinc/88/14/75/1129881475.db2.gz YWTCQDPZECWJER-UHFFFAOYSA-N 0 3 267.372 3.901 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1CC1 ZINC000768917108 1129881484 /nfs/dbraw/zinc/88/14/84/1129881484.db2.gz YWTCQDPZECWJER-UHFFFAOYSA-N 0 3 267.372 3.901 20 10 CHCDHN Cc1cc(O)c(CN2CCOc3ccccc3[C@H]2C)cc1C ZINC000768931935 1129882024 /nfs/dbraw/zinc/88/20/24/1129882024.db2.gz WRJIQKGHFSQCIY-OAHLLOKOSA-N 0 3 297.398 3.965 20 10 CHCDHN C[C@H]1c2ccccc2OCCN1Cc1ccc(N(C)C)cc1 ZINC000768930781 1129882667 /nfs/dbraw/zinc/88/26/67/1129882667.db2.gz PKDYKUPFTBTIKI-HNNXBMFYSA-N 0 3 296.414 3.708 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000769006781 1129888554 /nfs/dbraw/zinc/88/85/54/1129888554.db2.gz IDSCCMZXIGVNHK-OAHLLOKOSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000769006781 1129888559 /nfs/dbraw/zinc/88/85/59/1129888559.db2.gz IDSCCMZXIGVNHK-OAHLLOKOSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c([O-])c1 ZINC000769246328 1129898569 /nfs/dbraw/zinc/89/85/69/1129898569.db2.gz ZOYFRHGEQVWYSS-MRXNPFEDSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c([O-])c1 ZINC000769246328 1129898574 /nfs/dbraw/zinc/89/85/74/1129898574.db2.gz ZOYFRHGEQVWYSS-MRXNPFEDSA-N 0 3 275.392 3.555 20 10 CHCDHN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000384283165 1129905364 /nfs/dbraw/zinc/90/53/64/1129905364.db2.gz OTRASADWMMJYME-ZWNOBZJWSA-N 0 3 283.799 3.675 20 10 CHCDHN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000384283165 1129905368 /nfs/dbraw/zinc/90/53/68/1129905368.db2.gz OTRASADWMMJYME-ZWNOBZJWSA-N 0 3 283.799 3.675 20 10 CHCDHN CCS[C@H]1CCCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769403205 1129906257 /nfs/dbraw/zinc/90/62/57/1129906257.db2.gz GLVDMUUSJUVJIJ-ZDUSSCGKSA-N 0 3 295.448 3.508 20 10 CHCDHN CCS[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769403205 1129906259 /nfs/dbraw/zinc/90/62/59/1129906259.db2.gz GLVDMUUSJUVJIJ-ZDUSSCGKSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@](C)(CC)C2)c1[O-] ZINC000769445633 1129910106 /nfs/dbraw/zinc/91/01/06/1129910106.db2.gz GXRRZRHBRDQOSV-QGZVFWFLSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@@](C)(CC)C2)c1[O-] ZINC000769445633 1129910107 /nfs/dbraw/zinc/91/01/07/1129910107.db2.gz GXRRZRHBRDQOSV-QGZVFWFLSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1[O-] ZINC000769452317 1129911078 /nfs/dbraw/zinc/91/10/78/1129911078.db2.gz WFTWRKAGZIDEEO-UONOGXRCSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1[O-] ZINC000769452317 1129911081 /nfs/dbraw/zinc/91/10/81/1129911081.db2.gz WFTWRKAGZIDEEO-UONOGXRCSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@]1(C)CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000769452570 1129911288 /nfs/dbraw/zinc/91/12/88/1129911288.db2.gz YAZWPVUSZPWBQE-KRWDZBQOSA-N 0 3 277.408 3.803 20 10 CHCDHN CCC[C@@]1(C)CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000769452570 1129911289 /nfs/dbraw/zinc/91/12/89/1129911289.db2.gz YAZWPVUSZPWBQE-KRWDZBQOSA-N 0 3 277.408 3.803 20 10 CHCDHN CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769466981 1129911906 /nfs/dbraw/zinc/91/19/06/1129911906.db2.gz RRQWXLZEPHOYEJ-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769466981 1129911909 /nfs/dbraw/zinc/91/19/09/1129911909.db2.gz RRQWXLZEPHOYEJ-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000769542068 1129916174 /nfs/dbraw/zinc/91/61/74/1129916174.db2.gz ZBHKIUAKEUHDQL-UGSOOPFHSA-N 0 3 283.371 3.594 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000769542068 1129916178 /nfs/dbraw/zinc/91/61/78/1129916178.db2.gz ZBHKIUAKEUHDQL-UGSOOPFHSA-N 0 3 283.371 3.594 20 10 CHCDHN CCCC[N@H+](CCOC(C)(C)C)Cc1ccccc1[O-] ZINC000801595692 1129931263 /nfs/dbraw/zinc/93/12/63/1129931263.db2.gz IIFKZJMKZMVPAA-UHFFFAOYSA-N 0 3 279.424 3.809 20 10 CHCDHN CCCC[N@@H+](CCOC(C)(C)C)Cc1ccccc1[O-] ZINC000801595692 1129931264 /nfs/dbraw/zinc/93/12/64/1129931264.db2.gz IIFKZJMKZMVPAA-UHFFFAOYSA-N 0 3 279.424 3.809 20 10 CHCDHN CCCC[N@H+](CCC(C)(C)OC)Cc1ccccc1[O-] ZINC000801599390 1129932026 /nfs/dbraw/zinc/93/20/26/1129932026.db2.gz MJYQKPUJXPDYFG-UHFFFAOYSA-N 0 3 279.424 3.809 20 10 CHCDHN CCCC[N@@H+](CCC(C)(C)OC)Cc1ccccc1[O-] ZINC000801599390 1129932030 /nfs/dbraw/zinc/93/20/30/1129932030.db2.gz MJYQKPUJXPDYFG-UHFFFAOYSA-N 0 3 279.424 3.809 20 10 CHCDHN CCCC[N@H+](C/C=C/Cl)Cc1ccccc1[O-] ZINC000801597718 1129932050 /nfs/dbraw/zinc/93/20/50/1129932050.db2.gz NGFJTTVEMQAFTA-RMKNXTFCSA-N 0 3 253.773 3.747 20 10 CHCDHN CCCC[N@@H+](C/C=C/Cl)Cc1ccccc1[O-] ZINC000801597718 1129932053 /nfs/dbraw/zinc/93/20/53/1129932053.db2.gz NGFJTTVEMQAFTA-RMKNXTFCSA-N 0 3 253.773 3.747 20 10 CHCDHN CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1[O-] ZINC000770509492 1129948838 /nfs/dbraw/zinc/94/88/38/1129948838.db2.gz BATFDNHAFSBPNU-KRWDZBQOSA-N 0 3 267.372 3.902 20 10 CHCDHN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1[O-] ZINC000770509492 1129948839 /nfs/dbraw/zinc/94/88/39/1129948839.db2.gz BATFDNHAFSBPNU-KRWDZBQOSA-N 0 3 267.372 3.902 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000770511017 1129948930 /nfs/dbraw/zinc/94/89/30/1129948930.db2.gz VMEKAZCYLOAJGU-CQSZACIVSA-N 0 3 271.335 3.521 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000770511017 1129948933 /nfs/dbraw/zinc/94/89/33/1129948933.db2.gz VMEKAZCYLOAJGU-CQSZACIVSA-N 0 3 271.335 3.521 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000770509455 1129949087 /nfs/dbraw/zinc/94/90/87/1129949087.db2.gz MWBMVBSKXXMDMP-OAHLLOKOSA-N 0 3 299.414 3.854 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000770509455 1129949090 /nfs/dbraw/zinc/94/90/90/1129949090.db2.gz MWBMVBSKXXMDMP-OAHLLOKOSA-N 0 3 299.414 3.854 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000770509454 1129949197 /nfs/dbraw/zinc/94/91/97/1129949197.db2.gz MWBMVBSKXXMDMP-HNNXBMFYSA-N 0 3 299.414 3.854 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000770509454 1129949200 /nfs/dbraw/zinc/94/92/00/1129949200.db2.gz MWBMVBSKXXMDMP-HNNXBMFYSA-N 0 3 299.414 3.854 20 10 CHCDHN COc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000770739393 1129957598 /nfs/dbraw/zinc/95/75/98/1129957598.db2.gz AHKFFORCXGPSFT-WBVHZDCISA-N 0 3 297.398 3.827 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC000771939248 1129997393 /nfs/dbraw/zinc/99/73/93/1129997393.db2.gz OOKYXKFJNINUIY-QGZVFWFLSA-N 0 3 283.371 3.738 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC000771939248 1129997395 /nfs/dbraw/zinc/99/73/95/1129997395.db2.gz OOKYXKFJNINUIY-QGZVFWFLSA-N 0 3 283.371 3.738 20 10 CHCDHN CNc1ccccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000902487808 1130016281 /nfs/dbraw/zinc/01/62/81/1130016281.db2.gz FAILJMIONDEWLB-CQSZACIVSA-N 0 3 283.419 3.645 20 10 CHCDHN CCCC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1[O-] ZINC000802657439 1130027790 /nfs/dbraw/zinc/02/77/90/1130027790.db2.gz DODSZSWDWZCONR-UHFFFAOYSA-N 0 3 287.407 3.534 20 10 CHCDHN CCCC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1[O-] ZINC000802657439 1130027795 /nfs/dbraw/zinc/02/77/95/1130027795.db2.gz DODSZSWDWZCONR-UHFFFAOYSA-N 0 3 287.407 3.534 20 10 CHCDHN Cc1c([C@H](C)NCc2ccc3c(c2)CCO3)cnn1C(C)C ZINC000786903338 1130119893 /nfs/dbraw/zinc/11/98/93/1130119893.db2.gz KOGQCHSLXOBNIY-ZDUSSCGKSA-N 0 3 299.418 3.558 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C2CCOCC2)c1 ZINC000903244338 1130135104 /nfs/dbraw/zinc/13/51/04/1130135104.db2.gz RMBQSSJHWMUBLM-AWEZNQCLSA-N 0 3 291.435 3.804 20 10 CHCDHN CC[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(C)cc1[O-] ZINC000903281486 1130145316 /nfs/dbraw/zinc/14/53/16/1130145316.db2.gz HDUOXBVIZDKHGH-DFFOAJLQSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccccc1[O-] ZINC000903335473 1130160487 /nfs/dbraw/zinc/16/04/87/1130160487.db2.gz QEPGTBCKIVXGFG-QAPCUYQASA-N 0 3 282.387 3.979 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccccc1[O-] ZINC000790499415 1130315432 /nfs/dbraw/zinc/31/54/32/1130315432.db2.gz WVOWPGKHRUNDJJ-NVXWUHKLSA-N 0 3 290.451 3.553 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000790484560 1130315511 /nfs/dbraw/zinc/31/55/11/1130315511.db2.gz FONLXTUDXMOHPH-AWEZNQCLSA-N 0 3 299.439 3.902 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccccc1[O-] ZINC000790499409 1130315633 /nfs/dbraw/zinc/31/56/33/1130315633.db2.gz WVOWPGKHRUNDJJ-DOTOQJQBSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793386276 1130552322 /nfs/dbraw/zinc/55/23/22/1130552322.db2.gz KESAAWDLAORWHN-JSGCOSHPSA-N 0 3 265.397 3.705 20 10 CHCDHN CC(C)OCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000757977044 1130590854 /nfs/dbraw/zinc/59/08/54/1130590854.db2.gz DYVUXYMOTVOERA-UHFFFAOYSA-N 0 3 285.387 3.574 20 10 CHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCC4(CC4)CC3)c2c1 ZINC001234526828 1130653973 /nfs/dbraw/zinc/65/39/73/1130653973.db2.gz ZXDPIVDEHDNTLF-UHFFFAOYSA-N 0 3 297.398 3.930 20 10 CHCDHN CCOC(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000780582683 1130685028 /nfs/dbraw/zinc/68/50/28/1130685028.db2.gz GBLQDTNREAJQCW-UHFFFAOYSA-N 0 3 299.414 3.964 20 10 CHCDHN COC[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999966 1130700418 /nfs/dbraw/zinc/70/04/18/1130700418.db2.gz GZFOBRRJUPYQDY-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN COC[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999966 1130700423 /nfs/dbraw/zinc/70/04/23/1130700423.db2.gz GZFOBRRJUPYQDY-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H](C)O1 ZINC001234992184 1130700679 /nfs/dbraw/zinc/70/06/79/1130700679.db2.gz NTXMNLPYFHIOHD-GASCZTMLSA-N 0 3 297.398 3.668 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H](C)O1 ZINC001234992184 1130700685 /nfs/dbraw/zinc/70/06/85/1130700685.db2.gz NTXMNLPYFHIOHD-GASCZTMLSA-N 0 3 297.398 3.668 20 10 CHCDHN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cccc1-c1ccccc1 ZINC001235001279 1130701214 /nfs/dbraw/zinc/70/12/14/1130701214.db2.gz LYUWKVSQRNZWFW-SZMVWBNQSA-N 0 3 297.373 3.849 20 10 CHCDHN [O-]c1c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cccc1-c1ccccc1 ZINC001235001279 1130701219 /nfs/dbraw/zinc/70/12/19/1130701219.db2.gz LYUWKVSQRNZWFW-SZMVWBNQSA-N 0 3 297.373 3.849 20 10 CHCDHN CO[C@@](C)(C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000812734888 1130710695 /nfs/dbraw/zinc/71/06/95/1130710695.db2.gz UIXVXDAJTBWKFK-ZBEGNZNMSA-N 0 3 297.826 3.820 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000781926889 1130748632 /nfs/dbraw/zinc/74/86/32/1130748632.db2.gz BIURNNFQIMLGLL-KDOFPFPSSA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000781926889 1130748636 /nfs/dbraw/zinc/74/86/36/1130748636.db2.gz BIURNNFQIMLGLL-KDOFPFPSSA-N 0 3 289.419 3.803 20 10 CHCDHN CC(C)[C@H]1COCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235679459 1130768399 /nfs/dbraw/zinc/76/83/99/1130768399.db2.gz OQWOPGMUTLMWRG-MRXNPFEDSA-N 0 3 291.435 3.547 20 10 CHCDHN CCOC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235685250 1130768621 /nfs/dbraw/zinc/76/86/21/1130768621.db2.gz NWJFKIURMYVMSE-UHFFFAOYSA-N 0 3 291.435 3.691 20 10 CHCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@H](C)C1 ZINC001235682422 1130768779 /nfs/dbraw/zinc/76/87/79/1130768779.db2.gz WTYZOFLAIUAOEV-CZUORRHYSA-N 0 3 291.435 3.689 20 10 CHCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@H](C)C1 ZINC001235682422 1130768784 /nfs/dbraw/zinc/76/87/84/1130768784.db2.gz WTYZOFLAIUAOEV-CZUORRHYSA-N 0 3 291.435 3.689 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000695135310 1130793002 /nfs/dbraw/zinc/79/30/02/1130793002.db2.gz CFPZQVUYGIBMQC-ONGXEEELSA-N 0 3 273.298 3.760 20 10 CHCDHN CCN(CC[NH2+][C@H](C)c1ccccc1[O-])c1cccc(C)c1 ZINC000783491229 1130830013 /nfs/dbraw/zinc/83/00/13/1130830013.db2.gz RBZQNMBFJVLRGN-MRXNPFEDSA-N 0 3 298.430 3.878 20 10 CHCDHN C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccccc1[O-] ZINC000783509942 1130832927 /nfs/dbraw/zinc/83/29/27/1130832927.db2.gz UZGGNPOIXVLFNX-LBPRGKRZSA-N 0 3 298.361 3.906 20 10 CHCDHN Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])o1 ZINC000783516060 1130833331 /nfs/dbraw/zinc/83/33/31/1130833331.db2.gz DHMWUFMIEKZNIB-OCCSQVGLSA-N 0 3 273.376 3.966 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)Cc1cccc(C)c1C ZINC000814170076 1130837424 /nfs/dbraw/zinc/83/74/24/1130837424.db2.gz RIQWUPGBAPKYCW-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)Cc1cccc(C)c1C ZINC000814170076 1130837430 /nfs/dbraw/zinc/83/74/30/1130837430.db2.gz RIQWUPGBAPKYCW-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cccc(O)c1CN(C)Cc1cccc(C)c1C ZINC000814170076 1130837436 /nfs/dbraw/zinc/83/74/36/1130837436.db2.gz RIQWUPGBAPKYCW-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])c1cccc(Cl)c1 ZINC000783611076 1130842055 /nfs/dbraw/zinc/84/20/55/1130842055.db2.gz QIOUYHFROWBODD-LBPRGKRZSA-N 0 3 275.779 3.939 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)C(C)(C)C ZINC000814297019 1130857002 /nfs/dbraw/zinc/85/70/02/1130857002.db2.gz APXXQLHBKGWUFN-UHFFFAOYSA-N 0 3 265.397 3.563 20 10 CHCDHN CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000810259669 1130996530 /nfs/dbraw/zinc/99/65/30/1130996530.db2.gz OOECLZUOODJUAG-OLZOCXBDSA-N 0 3 298.858 3.817 20 10 CHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CC1 ZINC000815553361 1130998696 /nfs/dbraw/zinc/99/86/96/1130998696.db2.gz YGMBRVBYIGKUOH-QGZVFWFLSA-N 0 3 267.372 3.818 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c([O-])c1 ZINC001236784392 1131006212 /nfs/dbraw/zinc/00/62/12/1131006212.db2.gz WEESQGMKGIYJPP-KRWDZBQOSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c([O-])c1 ZINC001236784392 1131006217 /nfs/dbraw/zinc/00/62/17/1131006217.db2.gz WEESQGMKGIYJPP-KRWDZBQOSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001236782396 1131006426 /nfs/dbraw/zinc/00/64/26/1131006426.db2.gz AWILQXNKSMIQJL-GJZGRUSLSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(C[NH+]2CCC3(CCC3)CC2)c([O-])c1 ZINC001236783953 1131006526 /nfs/dbraw/zinc/00/65/26/1131006526.db2.gz PUWPWHJZDHTGKT-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CCc1ccc(C[N@@H+](CC)Cc2ccccc2[O-])c(O)c1 ZINC001236786512 1131007214 /nfs/dbraw/zinc/00/72/14/1131007214.db2.gz CCOVGULDLDVWMH-UHFFFAOYSA-N 0 3 285.387 3.682 20 10 CHCDHN CCc1ccc(C[N@H+](CC)Cc2ccccc2[O-])c(O)c1 ZINC001236786512 1131007219 /nfs/dbraw/zinc/00/72/19/1131007219.db2.gz CCOVGULDLDVWMH-UHFFFAOYSA-N 0 3 285.387 3.682 20 10 CHCDHN CCOCC(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000815626822 1131010850 /nfs/dbraw/zinc/01/08/50/1131010850.db2.gz MXWGXYLGEVVZBU-AWEZNQCLSA-N 0 3 279.424 3.722 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001236810139 1131012148 /nfs/dbraw/zinc/01/21/48/1131012148.db2.gz CBZSORPOTYRJOW-CABCVRRESA-N 0 3 289.419 3.721 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001236810139 1131012152 /nfs/dbraw/zinc/01/21/52/1131012152.db2.gz CBZSORPOTYRJOW-CABCVRRESA-N 0 3 289.419 3.721 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)CCc2cccc(C)c2)c([O-])c1 ZINC001236810448 1131012167 /nfs/dbraw/zinc/01/21/67/1131012167.db2.gz HACSBACDZSBRJV-UHFFFAOYSA-N 0 3 299.414 3.692 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)CCc2cccc(C)c2)c([O-])c1 ZINC001236810448 1131012170 /nfs/dbraw/zinc/01/21/70/1131012170.db2.gz HACSBACDZSBRJV-UHFFFAOYSA-N 0 3 299.414 3.692 20 10 CHCDHN COC1(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000815642010 1131014995 /nfs/dbraw/zinc/01/49/95/1131014995.db2.gz OTUZKGVFSANWNH-GFCCVEGCSA-N 0 3 297.826 3.964 20 10 CHCDHN C[C@H]1C[C@@H](CF)[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236827147 1131016159 /nfs/dbraw/zinc/01/61/59/1131016159.db2.gz PYJKWRICSRXENL-LRDDRELGSA-N 0 3 273.351 3.725 20 10 CHCDHN C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236827147 1131016163 /nfs/dbraw/zinc/01/61/63/1131016163.db2.gz PYJKWRICSRXENL-LRDDRELGSA-N 0 3 273.351 3.725 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC2(CCC2)C1 ZINC001236833177 1131017888 /nfs/dbraw/zinc/01/78/88/1131017888.db2.gz PGAXNSBUPBDWDP-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC2(CCC2)C1 ZINC001236833177 1131017893 /nfs/dbraw/zinc/01/78/93/1131017893.db2.gz PGAXNSBUPBDWDP-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC=C(C)C2)c1[O-] ZINC000798090386 1131024885 /nfs/dbraw/zinc/02/48/85/1131024885.db2.gz JUJFXZKQBLIKAF-UHFFFAOYSA-N 0 3 251.757 3.506 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC=C(C)C2)c1[O-] ZINC000798090386 1131024889 /nfs/dbraw/zinc/02/48/89/1131024889.db2.gz JUJFXZKQBLIKAF-UHFFFAOYSA-N 0 3 251.757 3.506 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC001237046577 1131040792 /nfs/dbraw/zinc/04/07/92/1131040792.db2.gz UCWYONIQVHLOJI-SJLPKXTDSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC001237046577 1131040795 /nfs/dbraw/zinc/04/07/95/1131040795.db2.gz UCWYONIQVHLOJI-SJLPKXTDSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+](C)CCc2cccnc2)c([O-])c1 ZINC001237048500 1131041018 /nfs/dbraw/zinc/04/10/18/1131041018.db2.gz GZSPMHLSUNLPPD-UHFFFAOYSA-N 0 3 284.403 3.585 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](C)CCc2cccnc2)c([O-])c1 ZINC001237048500 1131041024 /nfs/dbraw/zinc/04/10/24/1131041024.db2.gz GZSPMHLSUNLPPD-UHFFFAOYSA-N 0 3 284.403 3.585 20 10 CHCDHN Cc1cc(F)cc(C)c1C[N@H+](C)Cc1ccccc1[O-] ZINC001237326269 1131082299 /nfs/dbraw/zinc/08/22/99/1131082299.db2.gz QNCLDCOAHJNLHU-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1cc(F)cc(C)c1C[N@@H+](C)Cc1ccccc1[O-] ZINC001237326269 1131082308 /nfs/dbraw/zinc/08/23/08/1131082308.db2.gz QNCLDCOAHJNLHU-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1ncsc1C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816502830 1131102429 /nfs/dbraw/zinc/10/24/29/1131102429.db2.gz RXBDYJIZGNMXTP-UHFFFAOYSA-N 0 3 298.411 3.942 20 10 CHCDHN Cc1ncsc1C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816502830 1131102432 /nfs/dbraw/zinc/10/24/32/1131102432.db2.gz RXBDYJIZGNMXTP-UHFFFAOYSA-N 0 3 298.411 3.942 20 10 CHCDHN CCC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513318 1131102939 /nfs/dbraw/zinc/10/29/39/1131102939.db2.gz MSYVRODNGUXYFG-MRXNPFEDSA-N 0 3 285.387 3.546 20 10 CHCDHN CCC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513318 1131102943 /nfs/dbraw/zinc/10/29/43/1131102943.db2.gz MSYVRODNGUXYFG-MRXNPFEDSA-N 0 3 285.387 3.546 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccc(O)c1 ZINC000799718456 1131104147 /nfs/dbraw/zinc/10/41/47/1131104147.db2.gz BKPSSEYULRRCAF-AWEZNQCLSA-N 0 3 284.403 3.617 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001237487770 1131104563 /nfs/dbraw/zinc/10/45/63/1131104563.db2.gz MXYDMWRCFWLGKN-GOEBONIOSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001237487770 1131104568 /nfs/dbraw/zinc/10/45/68/1131104568.db2.gz MXYDMWRCFWLGKN-GOEBONIOSA-N 0 3 259.393 3.855 20 10 CHCDHN CCc1ccc([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC000816619387 1131115996 /nfs/dbraw/zinc/11/59/96/1131115996.db2.gz DQCLCNKBDXVQQN-KRWDZBQOSA-N 0 3 281.399 3.944 20 10 CHCDHN CCc1ccc([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC000816619387 1131115999 /nfs/dbraw/zinc/11/59/99/1131115999.db2.gz DQCLCNKBDXVQQN-KRWDZBQOSA-N 0 3 281.399 3.944 20 10 CHCDHN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000816649341 1131120359 /nfs/dbraw/zinc/12/03/59/1131120359.db2.gz XQGNQJYCKWRUOH-UONOGXRCSA-N 0 3 267.372 3.899 20 10 CHCDHN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000816649341 1131120362 /nfs/dbraw/zinc/12/03/62/1131120362.db2.gz XQGNQJYCKWRUOH-UONOGXRCSA-N 0 3 267.372 3.899 20 10 CHCDHN C[C@H]1CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641531 1131123886 /nfs/dbraw/zinc/12/38/86/1131123886.db2.gz SXSLBYITZNHRTB-LBPRGKRZSA-N 0 3 271.335 3.793 20 10 CHCDHN C[C@H]1CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641531 1131123888 /nfs/dbraw/zinc/12/38/88/1131123888.db2.gz SXSLBYITZNHRTB-LBPRGKRZSA-N 0 3 271.335 3.793 20 10 CHCDHN Cc1cc([O-])c(C[N@H+](C)CCC2CC2)cc1Br ZINC001237681187 1131126993 /nfs/dbraw/zinc/12/69/93/1131126993.db2.gz IIRKBGXAALVNPJ-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+](C)CCC2CC2)cc1Br ZINC001237681187 1131126995 /nfs/dbraw/zinc/12/69/95/1131126995.db2.gz IIRKBGXAALVNPJ-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CF)C2)c1[O-] ZINC001237687529 1131128104 /nfs/dbraw/zinc/12/81/04/1131128104.db2.gz KUHQTJPIAZYQIB-NSHDSACASA-N 0 3 271.763 3.536 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CF)C2)c1[O-] ZINC001237687529 1131128107 /nfs/dbraw/zinc/12/81/07/1131128107.db2.gz KUHQTJPIAZYQIB-NSHDSACASA-N 0 3 271.763 3.536 20 10 CHCDHN CCN(Cc1cnc(C2CC2)s1)Cc1ccccc1O ZINC001237791457 1131141302 /nfs/dbraw/zinc/14/13/02/1131141302.db2.gz LJMFZAXZAFRGLJ-UHFFFAOYSA-N 0 3 288.416 3.748 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2[C@H](C)CCC[C@H]2C)c1[O-] ZINC001238059045 1131165296 /nfs/dbraw/zinc/16/52/96/1131165296.db2.gz ZCPRGHWEVAKWQB-VXGBXAGGSA-N 0 3 251.345 3.603 20 10 CHCDHN Cc1cc(F)cc(CN2CCCC[C@](C)(F)C2)c1O ZINC001238065645 1131167281 /nfs/dbraw/zinc/16/72/81/1131167281.db2.gz WYCNPFFMCNQXPM-HNNXBMFYSA-N 0 3 269.335 3.554 20 10 CHCDHN CC(C)C[C@@H](CN)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817957540 1131191318 /nfs/dbraw/zinc/19/13/18/1131191318.db2.gz CRVAWRICIIVTHS-HIFRSBDPSA-N 0 3 286.419 3.569 20 10 CHCDHN CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817957542 1131191460 /nfs/dbraw/zinc/19/14/60/1131191460.db2.gz CRVAWRICIIVTHS-ZFWWWQNUSA-N 0 3 286.419 3.569 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccc3c1CCCN3)CC2 ZINC000817976057 1131194354 /nfs/dbraw/zinc/19/43/54/1131194354.db2.gz UOQIYTOCLSTAQB-QGZVFWFLSA-N 0 3 294.398 3.527 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccccc1[O-] ZINC000817977403 1131195133 /nfs/dbraw/zinc/19/51/33/1131195133.db2.gz JOWCZXDLNXFJMW-KRWDZBQOSA-N 0 3 296.414 3.991 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000817981252 1131195374 /nfs/dbraw/zinc/19/53/74/1131195374.db2.gz IAZSZOJTAWVLQH-CABCVRRESA-N 0 3 296.842 3.604 20 10 CHCDHN C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000817981191 1131195488 /nfs/dbraw/zinc/19/54/88/1131195488.db2.gz HAIMYTFRIHNNFY-UGSOOPFHSA-N 0 3 298.430 3.714 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(C)cc1C ZINC001238434449 1131199929 /nfs/dbraw/zinc/19/99/29/1131199929.db2.gz DFGKJINQXMGXPO-UHFFFAOYSA-N 0 3 297.446 3.787 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000824468055 1131471408 /nfs/dbraw/zinc/47/14/08/1131471408.db2.gz BENPETWMHNXAGU-MRXNPFEDSA-N 0 3 271.335 3.699 20 10 CHCDHN Cc1c(CN2CCC[C@](C)(F)C2)c2ccccc2n1C ZINC001138252927 1131482329 /nfs/dbraw/zinc/48/23/29/1131482329.db2.gz XRKOVIGDWLDLFS-KRWDZBQOSA-N 0 3 274.383 3.811 20 10 CHCDHN Cc1c2ccccc2[nH]c1C[N@@H+](C)Cc1ccccc1[O-] ZINC001138400586 1131499473 /nfs/dbraw/zinc/49/94/73/1131499473.db2.gz UCGGAKJSIHFGPS-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN Cc1c2ccccc2[nH]c1C[N@H+](C)Cc1ccccc1[O-] ZINC001138400586 1131499476 /nfs/dbraw/zinc/49/94/76/1131499476.db2.gz UCGGAKJSIHFGPS-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](CC)c1ccccc1[O-] ZINC000825299827 1131505785 /nfs/dbraw/zinc/50/57/85/1131505785.db2.gz PKZMSZQEYQCCBI-BFYDXBDKSA-N 0 3 277.408 3.781 20 10 CHCDHN CC[N@H+](Cc1ccc2c(c1)CCCO2)Cc1ccccc1[O-] ZINC001138718770 1131541352 /nfs/dbraw/zinc/54/13/52/1131541352.db2.gz LDDMIMMDJMDHMT-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CC[N@@H+](Cc1ccc2c(c1)CCCO2)Cc1ccccc1[O-] ZINC001138718770 1131541355 /nfs/dbraw/zinc/54/13/55/1131541355.db2.gz LDDMIMMDJMDHMT-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CCn1ccc2ccc(C[N@H+](C)Cc3ccccc3[O-])cc21 ZINC001139124832 1131584371 /nfs/dbraw/zinc/58/43/71/1131584371.db2.gz UNKAVOHILJBZNS-UHFFFAOYSA-N 0 3 294.398 3.999 20 10 CHCDHN CCn1ccc2ccc(C[N@@H+](C)Cc3ccccc3[O-])cc21 ZINC001139124832 1131584375 /nfs/dbraw/zinc/58/43/75/1131584375.db2.gz UNKAVOHILJBZNS-UHFFFAOYSA-N 0 3 294.398 3.999 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1CC ZINC001139626672 1131624979 /nfs/dbraw/zinc/62/49/79/1131624979.db2.gz WGWLMDDLQVCMSZ-UHFFFAOYSA-N 0 3 299.414 3.985 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1CC ZINC001139626672 1131624981 /nfs/dbraw/zinc/62/49/81/1131624981.db2.gz WGWLMDDLQVCMSZ-UHFFFAOYSA-N 0 3 299.414 3.985 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC001144489970 1131646300 /nfs/dbraw/zinc/64/63/00/1131646300.db2.gz RGUXRPCSYSSQNT-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC001144489970 1131646303 /nfs/dbraw/zinc/64/63/03/1131646303.db2.gz RGUXRPCSYSSQNT-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN CC[N@H+](Cc1cc2ccccc2cn1)Cc1ccccc1[O-] ZINC001140001378 1131655999 /nfs/dbraw/zinc/65/59/99/1131655999.db2.gz MAQRCNUMUKYPBU-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1cc2ccccc2cn1)Cc1ccccc1[O-] ZINC001140001378 1131656003 /nfs/dbraw/zinc/65/60/03/1131656003.db2.gz MAQRCNUMUKYPBU-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CSCc3ccccc31)CC2 ZINC000834545329 1131682663 /nfs/dbraw/zinc/68/26/63/1131682663.db2.gz YETYRCYXXDWMES-HZPDHXFCSA-N 0 3 297.423 3.957 20 10 CHCDHN COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834625159 1131688219 /nfs/dbraw/zinc/68/82/19/1131688219.db2.gz UUPOPYUCSXIRLM-HZPDHXFCSA-N 0 3 295.382 3.665 20 10 CHCDHN C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834645507 1131689969 /nfs/dbraw/zinc/68/99/69/1131689969.db2.gz FTRHKNCZKVAFKU-SMNXXWJPSA-N 0 3 279.383 3.903 20 10 CHCDHN COc1cccc(C[C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834646014 1131689992 /nfs/dbraw/zinc/68/99/92/1131689992.db2.gz UEMHDZJZBNLVBQ-DYVFJYSZSA-N 0 3 297.398 3.609 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000834811905 1131707069 /nfs/dbraw/zinc/70/70/69/1131707069.db2.gz YUXLIZPAFGFEDC-YESZJQIVSA-N 0 3 279.383 3.773 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c1[O-] ZINC000834875442 1131715741 /nfs/dbraw/zinc/71/57/41/1131715741.db2.gz OYPVZSMOKNGFGZ-ZWNOBZJWSA-N 0 3 283.799 3.572 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000834900500 1131725442 /nfs/dbraw/zinc/72/54/42/1131725442.db2.gz PTGJSJUWLPBKHP-TYNCELHUSA-N 0 3 297.826 3.556 20 10 CHCDHN C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccccc1[O-] ZINC000834901783 1131725883 /nfs/dbraw/zinc/72/58/83/1131725883.db2.gz CLWQBNFIYVGGHZ-UNXYVOJBSA-N 0 3 285.334 3.593 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(C)cc1[O-] ZINC000834905480 1131728483 /nfs/dbraw/zinc/72/84/83/1131728483.db2.gz WRZWKVYYXIEREG-AWEZNQCLSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000834909106 1131729936 /nfs/dbraw/zinc/72/99/36/1131729936.db2.gz JBPSHAPAQXDNIO-KGLIPLIRSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000834907257 1131730517 /nfs/dbraw/zinc/73/05/17/1131730517.db2.gz ZRBKKEQJFLYCRS-BPUTZDHNSA-N 0 3 259.393 3.787 20 10 CHCDHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1cccnc1 ZINC000835036706 1131761472 /nfs/dbraw/zinc/76/14/72/1131761472.db2.gz QMLDXOOEVKCNNM-CSPWOOARSA-N 0 3 281.403 3.512 20 10 CHCDHN CC[N@H+](Cc1cc(C)c(O)c(C)c1)Cc1ccccc1[O-] ZINC001140659222 1131854425 /nfs/dbraw/zinc/85/44/25/1131854425.db2.gz URNSCHJYUSHSKI-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN CC[N@@H+](Cc1cc(C)c(O)c(C)c1)Cc1ccccc1[O-] ZINC001140659222 1131854430 /nfs/dbraw/zinc/85/44/30/1131854430.db2.gz URNSCHJYUSHSKI-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cc(C)cc(Cl)n2)c(O)c1 ZINC000282761552 1131888837 /nfs/dbraw/zinc/88/88/37/1131888837.db2.gz OHANJJLWGVASOH-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1n[nH]cc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773014701 1131920483 /nfs/dbraw/zinc/92/04/83/1131920483.db2.gz KKMVFTWMLRMOCJ-AWEZNQCLSA-N 0 3 298.434 3.559 20 10 CHCDHN C[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140921363 1131964351 /nfs/dbraw/zinc/96/43/51/1131964351.db2.gz CFZNJPOUGOLYIJ-GFCCVEGCSA-N 0 3 266.816 3.780 20 10 CHCDHN CC1CC(N(C)Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140922698 1131964859 /nfs/dbraw/zinc/96/48/59/1131964859.db2.gz ZRTLSDPATNQULQ-UHFFFAOYSA-N 0 3 266.816 3.636 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2c(F)cccc2C1)c1ccccc1[O-] ZINC001171404107 1131970947 /nfs/dbraw/zinc/97/09/47/1131970947.db2.gz FPHQRZAMGKXTJS-OCCSQVGLSA-N 0 3 285.362 3.739 20 10 CHCDHN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001140957703 1131974165 /nfs/dbraw/zinc/97/41/65/1131974165.db2.gz KHBWPKDARNGMQK-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001140957703 1131974167 /nfs/dbraw/zinc/97/41/67/1131974167.db2.gz KHBWPKDARNGMQK-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccns2)c(O)c1 ZINC000715966738 1132000352 /nfs/dbraw/zinc/00/03/52/1132000352.db2.gz OTINCXQRUSSSBO-MNOVXSKESA-N 0 3 262.378 3.569 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2c(F)cccc2C1 ZINC001171436871 1132015133 /nfs/dbraw/zinc/01/51/33/1132015133.db2.gz GZGZXQQHJUVWJJ-HNNXBMFYSA-N 0 3 285.362 3.521 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2c(F)cccc2C1 ZINC001171436871 1132015141 /nfs/dbraw/zinc/01/51/41/1132015141.db2.gz GZGZXQQHJUVWJJ-HNNXBMFYSA-N 0 3 285.362 3.521 20 10 CHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000037217755 1132023569 /nfs/dbraw/zinc/02/35/69/1132023569.db2.gz KNWMIJWVRKVFFE-KBPBESRZSA-N 0 3 269.392 3.559 20 10 CHCDHN Cc1ccc(CNC/C=C\c2ccc(N(C)C)cc2)nc1C ZINC000839164967 1132187389 /nfs/dbraw/zinc/18/73/89/1132187389.db2.gz IGZGVDVLBINJSS-WAYWQWQTSA-N 0 3 295.430 3.567 20 10 CHCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172544428 1132279564 /nfs/dbraw/zinc/27/95/64/1132279564.db2.gz YSXKREUYIIRKHO-WBVHZDCISA-N 0 3 297.398 3.914 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@H](OC)C12CCC2)c1ccc(C)cc1[O-] ZINC000840807187 1132289301 /nfs/dbraw/zinc/28/93/01/1132289301.db2.gz RANLTACDSWUVBU-UAGQMJEPSA-N 0 3 289.419 3.699 20 10 CHCDHN C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccccc1[O-] ZINC000840855860 1132296724 /nfs/dbraw/zinc/29/67/24/1132296724.db2.gz OQXHPZQAIJRHDV-ZDUSSCGKSA-N 0 3 284.403 3.936 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(Cc1ccccn1)C(C)C ZINC000840911658 1132308588 /nfs/dbraw/zinc/30/85/88/1132308588.db2.gz LTNIJTWFIGENEI-UHFFFAOYSA-N 0 3 297.446 3.867 20 10 CHCDHN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231589326 1132318287 /nfs/dbraw/zinc/31/82/87/1132318287.db2.gz BXCALENGCWRAMG-SFHVURJKSA-N 0 3 299.414 3.935 20 10 CHCDHN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231589326 1132318292 /nfs/dbraw/zinc/31/82/92/1132318292.db2.gz BXCALENGCWRAMG-SFHVURJKSA-N 0 3 299.414 3.935 20 10 CHCDHN CCCc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001142367731 1132374278 /nfs/dbraw/zinc/37/42/78/1132374278.db2.gz WPKJRNBYKLMGPP-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN CCCc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001142367731 1132374282 /nfs/dbraw/zinc/37/42/82/1132374282.db2.gz WPKJRNBYKLMGPP-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN [O-]c1c(C[N@@H+]2CCc3occc3C2)ccc2ccccc21 ZINC001231881630 1132389276 /nfs/dbraw/zinc/38/92/76/1132389276.db2.gz ZNBQDZHEEMCTCV-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN [O-]c1c(C[N@H+]2CCc3occc3C2)ccc2ccccc21 ZINC001231881630 1132389285 /nfs/dbraw/zinc/38/92/85/1132389285.db2.gz ZNBQDZHEEMCTCV-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN CCc1ccc(C[C@@H](C)[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001173246468 1132418931 /nfs/dbraw/zinc/41/89/31/1132418931.db2.gz LHCVNYXMNWUPQS-OAHLLOKOSA-N 0 3 295.426 3.944 20 10 CHCDHN CCc1ccc(C[C@@H](C)[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001173246468 1132418936 /nfs/dbraw/zinc/41/89/36/1132418936.db2.gz LHCVNYXMNWUPQS-OAHLLOKOSA-N 0 3 295.426 3.944 20 10 CHCDHN CCc1ccc(C[C@H](C)[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001173246466 1132419145 /nfs/dbraw/zinc/41/91/45/1132419145.db2.gz LHCVNYXMNWUPQS-HNNXBMFYSA-N 0 3 295.426 3.944 20 10 CHCDHN CCc1ccc(C[C@H](C)[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001173246466 1132419148 /nfs/dbraw/zinc/41/91/48/1132419148.db2.gz LHCVNYXMNWUPQS-HNNXBMFYSA-N 0 3 295.426 3.944 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C)nc1C ZINC001232085005 1132420346 /nfs/dbraw/zinc/42/03/46/1132420346.db2.gz YFAFCBCVLJISCM-UHFFFAOYSA-N 0 3 297.446 3.787 20 10 CHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000842922957 1132475865 /nfs/dbraw/zinc/47/58/65/1132475865.db2.gz ZVAIIECWPCSIQI-RTXFEEFZSA-N 0 3 281.371 3.528 20 10 CHCDHN COc1cccc(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC001232623420 1132496541 /nfs/dbraw/zinc/49/65/41/1132496541.db2.gz OZQAUFFGURMLSZ-UHFFFAOYSA-N 0 3 298.430 3.702 20 10 CHCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c1[O-] ZINC000843437599 1132535155 /nfs/dbraw/zinc/53/51/55/1132535155.db2.gz OSJBHCAUYGVRQD-OAHLLOKOSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1cccc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1[O-] ZINC000843437599 1132535159 /nfs/dbraw/zinc/53/51/59/1132535159.db2.gz OSJBHCAUYGVRQD-OAHLLOKOSA-N 0 3 275.392 3.555 20 10 CHCDHN C[C@@H]1CCN(Cc2cc(C(C)(C)C)ccc2O)C[C@H]1F ZINC001233284477 1132595762 /nfs/dbraw/zinc/59/57/62/1132595762.db2.gz WJPCPQCEXNJTIR-IUODEOHRSA-N 0 3 279.399 3.870 20 10 CHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cccc(N)n1 ZINC001163486952 1133152647 /nfs/dbraw/zinc/15/26/47/1133152647.db2.gz PAQUXJSRNLGWBO-QGZVFWFLSA-N 0 3 297.402 3.722 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001203558723 1133340593 /nfs/dbraw/zinc/34/05/93/1133340593.db2.gz YKPMCUUIKAJGED-SFHVURJKSA-N 0 3 297.398 3.573 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001203558723 1133340600 /nfs/dbraw/zinc/34/06/00/1133340600.db2.gz YKPMCUUIKAJGED-SFHVURJKSA-N 0 3 297.398 3.573 20 10 CHCDHN CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(OC)cc1[O-] ZINC001203634392 1133346841 /nfs/dbraw/zinc/34/68/41/1133346841.db2.gz CPUGQIORVKEABH-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(OC)cc1[O-] ZINC001203634392 1133346847 /nfs/dbraw/zinc/34/68/47/1133346847.db2.gz CPUGQIORVKEABH-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCN(CC)c1ccc(CN2CC3(CCC3)C2)cc1 ZINC001203939386 1133386653 /nfs/dbraw/zinc/38/66/53/1133386653.db2.gz APZADSHLYKKTJI-UHFFFAOYSA-N 0 3 258.409 3.519 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@H](F)C2)c2ccccc21 ZINC001204240696 1133423811 /nfs/dbraw/zinc/42/38/11/1133423811.db2.gz BLIKQGIKILTOHC-HNNXBMFYSA-N 0 3 286.394 3.840 20 10 CHCDHN CN(C)c1ccc(CN2CC(C(F)F)C2)c2ccccc21 ZINC001204240921 1133424336 /nfs/dbraw/zinc/42/43/36/1133424336.db2.gz LFSPHIRNLYHWCV-UHFFFAOYSA-N 0 3 290.357 3.603 20 10 CHCDHN CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(O)cc1[O-] ZINC001204279946 1133427533 /nfs/dbraw/zinc/42/75/33/1133427533.db2.gz FXDACDYCFPLPDP-UHFFFAOYSA-N 0 3 291.778 3.773 20 10 CHCDHN CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(O)cc1[O-] ZINC001204279946 1133427538 /nfs/dbraw/zinc/42/75/38/1133427538.db2.gz FXDACDYCFPLPDP-UHFFFAOYSA-N 0 3 291.778 3.773 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001204272524 1133427683 /nfs/dbraw/zinc/42/76/83/1133427683.db2.gz PCONUTKJJPLINY-QGZVFWFLSA-N 0 3 283.371 3.825 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001204272524 1133427687 /nfs/dbraw/zinc/42/76/87/1133427687.db2.gz PCONUTKJJPLINY-QGZVFWFLSA-N 0 3 283.371 3.825 20 10 CHCDHN CN(Cc1ccc(N2CCCC2)cc1)C1CC(F)(F)C1 ZINC001204318984 1133436886 /nfs/dbraw/zinc/43/68/86/1133436886.db2.gz BYBJLFZQJZFJGT-UHFFFAOYSA-N 0 3 280.362 3.516 20 10 CHCDHN Cc1ncccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001204328536 1133437716 /nfs/dbraw/zinc/43/77/16/1133437716.db2.gz INOSZPKBJDIFHU-UHFFFAOYSA-N 0 3 295.430 3.622 20 10 CHCDHN C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCC1(F)F ZINC001204326291 1133438653 /nfs/dbraw/zinc/43/86/53/1133438653.db2.gz WUJZKXPXBVVLKO-AWEZNQCLSA-N 0 3 294.389 3.764 20 10 CHCDHN CCOc1ccc2c(c1)CN(Cc1ccc(C)cc1O)CC2 ZINC001204422894 1133446307 /nfs/dbraw/zinc/44/63/07/1133446307.db2.gz UKIMXXVOCNIAAW-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN1CCc2sccc2C1 ZINC001205169187 1133540501 /nfs/dbraw/zinc/54/05/01/1133540501.db2.gz CZTFUCHYRMCGIT-UHFFFAOYSA-N 0 3 286.444 3.681 20 10 CHCDHN CCC[C@H]([NH2+]Cc1ccc(OC)cc1[O-])[C@@H]1CC1(C)C ZINC001205517483 1133584532 /nfs/dbraw/zinc/58/45/32/1133584532.db2.gz QYWAUFVBWGGTCP-GJZGRUSLSA-N 0 3 277.408 3.705 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c([O-])c1 ZINC001206743477 1133740350 /nfs/dbraw/zinc/74/03/50/1133740350.db2.gz TZCWOHCBGJTLEE-BPQIPLTHSA-N 0 3 299.801 3.782 20 10 CHCDHN Cc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC001207161620 1133774215 /nfs/dbraw/zinc/77/42/15/1133774215.db2.gz ZRVAJJZOKMKWLF-CABCVRRESA-N 0 3 269.388 3.982 20 10 CHCDHN CC[N@H+](CCCc1cccc(F)c1)Cc1ccccc1[O-] ZINC001207604353 1133827574 /nfs/dbraw/zinc/82/75/74/1133827574.db2.gz MMUQGYZDIFSGSO-UHFFFAOYSA-N 0 3 287.378 3.986 20 10 CHCDHN CC[N@@H+](CCCc1cccc(F)c1)Cc1ccccc1[O-] ZINC001207604353 1133827581 /nfs/dbraw/zinc/82/75/81/1133827581.db2.gz MMUQGYZDIFSGSO-UHFFFAOYSA-N 0 3 287.378 3.986 20 10 CHCDHN COc1ccc(C[NH+]2CCC(c3ccccc3)CC2)c([O-])c1 ZINC000179924957 1134561236 /nfs/dbraw/zinc/56/12/36/1134561236.db2.gz PQEPJSLJWZPXNL-UHFFFAOYSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1[O-] ZINC000307778488 1134946932 /nfs/dbraw/zinc/94/69/32/1134946932.db2.gz RDQGNVFRJIZQDY-LBPRGKRZSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC(C)C)C2)c1[O-] ZINC000307778488 1134946938 /nfs/dbraw/zinc/94/69/38/1134946938.db2.gz RDQGNVFRJIZQDY-LBPRGKRZSA-N 0 3 297.826 3.922 20 10 CHCDHN CCOc1cccc(C[NH+]2CCCCCCCC2)c1[O-] ZINC000322045469 1135595050 /nfs/dbraw/zinc/59/50/50/1135595050.db2.gz HLWRYXSBSRDSRZ-UHFFFAOYSA-N 0 3 277.408 3.947 20 10 CHCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H](C)c1ccccn1 ZINC000020123639 171004768 /nfs/dbraw/zinc/00/47/68/171004768.db2.gz VJCKLPAXBOICMR-YDHLFZDLSA-N 0 3 282.387 3.995 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2)c([O-])c1 ZINC000020127991 171013728 /nfs/dbraw/zinc/01/37/28/171013728.db2.gz YNWWYPKVRNJELE-OLZOCXBDSA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1cc([C@H](C)NCc2ccc(N(C)C)cc2)c(C)o1 ZINC000020439200 171203123 /nfs/dbraw/zinc/20/31/23/171203123.db2.gz FIVLISAVWLKNCV-ZDUSSCGKSA-N 0 3 272.392 3.813 20 10 CHCDHN Cc1cc(C)c(CNCc2ccc(N(C)C)cc2)c(C)c1 ZINC000021007711 171285260 /nfs/dbraw/zinc/28/52/60/171285260.db2.gz SARTYIKXPXCHBW-UHFFFAOYSA-N 0 3 282.431 3.968 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000035628779 172307817 /nfs/dbraw/zinc/30/78/17/172307817.db2.gz JIVMJJFNBNQFQW-OLZOCXBDSA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000035628889 172308348 /nfs/dbraw/zinc/30/83/48/172308348.db2.gz NGJLTZACUNVMTK-CQSZACIVSA-N 0 3 284.403 3.617 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccsc2)c([O-])c1 ZINC000042599815 174815725 /nfs/dbraw/zinc/81/57/25/174815725.db2.gz WQQWGMZXHYLPCY-LBPRGKRZSA-N 0 3 261.390 3.655 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000071406553 176155873 /nfs/dbraw/zinc/15/58/73/176155873.db2.gz DKZASJDPAVRMFL-AWEZNQCLSA-N 0 3 255.361 3.594 20 10 CHCDHN COc1ccc(O)c(CN[C@@H](C)c2ccc(F)cc2F)c1 ZINC000036952683 260056259 /nfs/dbraw/zinc/05/62/59/260056259.db2.gz AJKCRCUWRLIEGR-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccccc1[O-] ZINC000155696514 261106013 /nfs/dbraw/zinc/10/60/13/261106013.db2.gz SMQOYOFOKPKQDN-HZPDHXFCSA-N 0 3 283.371 3.826 20 10 CHCDHN CC[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000158115202 261158613 /nfs/dbraw/zinc/15/86/13/261158613.db2.gz AWYNCXORBDEHBF-ZBFHGGJFSA-N 0 3 277.408 3.782 20 10 CHCDHN C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000184000322 262004480 /nfs/dbraw/zinc/00/44/80/262004480.db2.gz XFCHLLYBMCCEKR-GXTWGEPZSA-N 0 3 281.371 3.531 20 10 CHCDHN COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ccc1C ZINC000185193498 262045071 /nfs/dbraw/zinc/04/50/71/262045071.db2.gz CBANVZDPLCLUNK-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185501250 262057261 /nfs/dbraw/zinc/05/72/61/262057261.db2.gz YVHMUEKIMIWALI-NWDGAFQWSA-N 0 3 288.391 3.587 20 10 CHCDHN CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185621149 262062937 /nfs/dbraw/zinc/06/29/37/262062937.db2.gz TXNKJUQOGVEQND-CQSZACIVSA-N 0 3 279.424 3.540 20 10 CHCDHN C[C@@H]([NH2+]C1CCSCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185979060 262074193 /nfs/dbraw/zinc/07/41/93/262074193.db2.gz WRTPJBRJSGSNPR-GFCCVEGCSA-N 0 3 291.460 3.817 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2[O-])s1 ZINC000186766194 262109254 /nfs/dbraw/zinc/10/92/54/262109254.db2.gz ZYIXKVVLSNVZNA-WCQYABFASA-N 0 3 290.432 3.920 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCCCCSC)c1 ZINC000186533783 262316198 /nfs/dbraw/zinc/31/61/98/262316198.db2.gz JXMISSGWHFMGBV-ZDUSSCGKSA-N 0 3 297.464 3.975 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2)c1[O-] ZINC000037770017 326861149 /nfs/dbraw/zinc/86/11/49/326861149.db2.gz FWZIWEHXEKJRGI-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccnc2C)c1[O-] ZINC000527984700 330298554 /nfs/dbraw/zinc/29/85/54/330298554.db2.gz DCVAXLYDQRGQSM-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN CCOc1cccc(C[NH2+]CCCCCCSC)c1[O-] ZINC000230149409 333314904 /nfs/dbraw/zinc/31/49/04/333314904.db2.gz IMZURHOUDIGJPZ-UHFFFAOYSA-N 0 3 297.464 3.804 20 10 CHCDHN C[C@@H]([NH2+]CCSC(C)(C)C)c1ccccc1[O-] ZINC000272887909 334757621 /nfs/dbraw/zinc/75/76/21/334757621.db2.gz RYZPVBRQCHVJFK-LLVKDONJSA-N 0 3 253.411 3.575 20 10 CHCDHN CCCOc1ccc(C[NH2+]CCCC(C)(F)F)c([O-])c1 ZINC000296079729 520367473 /nfs/dbraw/zinc/36/74/73/520367473.db2.gz QLMFHDLXKYDFLX-UHFFFAOYSA-N 0 3 287.350 3.706 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H](C)Cc2cccs2)c1[O-] ZINC000036992957 521374311 /nfs/dbraw/zinc/37/43/11/521374311.db2.gz LJLJLNGFWDISSI-GFCCVEGCSA-N 0 3 291.416 3.573 20 10 CHCDHN CCOC1CC(CC[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000276707486 521646506 /nfs/dbraw/zinc/64/65/06/521646506.db2.gz WKLBJIKQHPGWBJ-QQFBHYJXSA-N 0 3 291.435 3.865 20 10 CHCDHN CN(C)c1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000280427401 522212340 /nfs/dbraw/zinc/21/23/40/522212340.db2.gz ZXYVWTLUHURSKF-LJQANCHMSA-N 0 3 295.430 3.779 20 10 CHCDHN CC[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccccc1[O-] ZINC000365077515 522639319 /nfs/dbraw/zinc/63/93/19/522639319.db2.gz KRIMDFAGQXSYCM-JQHSSLGASA-N 0 3 289.419 3.638 20 10 CHCDHN CC[C@@H]([NH2+]CCCOCC1CC1)c1ccc(C)cc1[O-] ZINC000280130212 522827959 /nfs/dbraw/zinc/82/79/59/522827959.db2.gz OWGWGUFRXKUOQC-MRXNPFEDSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280270778 522840693 /nfs/dbraw/zinc/84/06/93/522840693.db2.gz XUXJESBEFNCECX-GOEBONIOSA-N 0 3 277.408 3.701 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(C)cc1[O-] ZINC000279970147 522851728 /nfs/dbraw/zinc/85/17/28/522851728.db2.gz CYPHWHCLYKRUAZ-GDBMZVCRSA-N 0 3 291.416 3.536 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000049577263 522874983 /nfs/dbraw/zinc/87/49/83/522874983.db2.gz DRISSRUFIMCVFL-OAHLLOKOSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(C)cc1[O-] ZINC000280099211 522939016 /nfs/dbraw/zinc/93/90/16/522939016.db2.gz MYRYKLNYKRNJKF-CZUORRHYSA-N 0 3 270.376 3.898 20 10 CHCDHN CCc1ccc(CNCc2ccc3c(c2)CCO3)s1 ZINC000077328408 523943388 /nfs/dbraw/zinc/94/33/88/523943388.db2.gz AMQPIOBLYSLHID-UHFFFAOYSA-N 0 3 273.401 3.535 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])s1 ZINC000050225241 524602613 /nfs/dbraw/zinc/60/26/13/524602613.db2.gz NQJDDIMULQYRJA-GFCCVEGCSA-N 0 3 261.390 3.921 20 10 CHCDHN COc1ccccc1[C@@H](C)NCc1cc(C)ccc1O ZINC000071406336 524721878 /nfs/dbraw/zinc/72/18/78/524721878.db2.gz VYBPOEBXLTVIML-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000020144905 524765975 /nfs/dbraw/zinc/76/59/75/524765975.db2.gz PCHZJVJHVAHTCG-QWHCGFSZSA-N 0 3 289.375 3.666 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2sccc2C)c1 ZINC000094874953 524771284 /nfs/dbraw/zinc/77/12/84/524771284.db2.gz XQNBTALVGXCQCL-NSHDSACASA-N 0 3 277.389 3.622 20 10 CHCDHN Cc1cc(O)c(CN(Cc2ccccn2)C2CC2)cc1C ZINC000290516714 525316597 /nfs/dbraw/zinc/31/65/97/525316597.db2.gz PVPPLBOSNQELHB-UHFFFAOYSA-N 0 3 282.387 3.569 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccs1 ZINC000050286239 525450146 /nfs/dbraw/zinc/45/01/46/525450146.db2.gz WRSIONHEWJFIME-ZDUSSCGKSA-N 0 3 286.444 3.981 20 10 CHCDHN C[C@H](NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000037231949 525469264 /nfs/dbraw/zinc/46/92/64/525469264.db2.gz ZGIMTIKLMLXULO-LBPRGKRZSA-N 0 3 260.406 3.665 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccsc1 ZINC000050339197 525525961 /nfs/dbraw/zinc/52/59/61/525525961.db2.gz BFVXUVJZRJMCST-GFCCVEGCSA-N 0 3 260.406 3.665 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000094616547 525614416 /nfs/dbraw/zinc/61/44/16/525614416.db2.gz CYAKLAOOEDQXMZ-NWDGAFQWSA-N 0 3 259.324 3.943 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c([O-])c1C ZINC000290176777 525934232 /nfs/dbraw/zinc/93/42/32/525934232.db2.gz FCTKBWJZTWBLCW-YZVOILCLSA-N 0 3 299.414 3.782 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000037680270 526031224 /nfs/dbraw/zinc/03/12/24/526031224.db2.gz JTFXOWFCSVMHRE-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cccc(C[NH2+][C@H]2CCCc3sccc32)c1[O-] ZINC000061359828 526039738 /nfs/dbraw/zinc/03/97/38/526039738.db2.gz XKCITGOZJVHSKN-ZDUSSCGKSA-N 0 3 289.400 3.630 20 10 CHCDHN C[C@@H](c1ccco1)N(C)Cc1ccc(N(C)C)cc1 ZINC000131021438 526134407 /nfs/dbraw/zinc/13/44/07/526134407.db2.gz HMKBFDVYAXKGPK-ZDUSSCGKSA-N 0 3 258.365 3.539 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061331039 526374462 /nfs/dbraw/zinc/37/44/62/526374462.db2.gz SQOMMJLJGYFHAD-CYBMUJFWSA-N 0 3 259.374 3.621 20 10 CHCDHN CCSCC[C@@H](C)[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001179962692 1121936925 /nfs/dbraw/zinc/93/69/25/1121936925.db2.gz QSOGNUCPDSYRON-CYBMUJFWSA-N 0 3 297.464 3.673 20 10 CHCDHN CCSCC[C@@H](C)[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001179962692 1121936927 /nfs/dbraw/zinc/93/69/27/1121936927.db2.gz QSOGNUCPDSYRON-CYBMUJFWSA-N 0 3 297.464 3.673 20 10 CHCDHN CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775736971 1122928776 /nfs/dbraw/zinc/92/87/76/1122928776.db2.gz ILUUJUATUVMVHB-NSHDSACASA-N 0 3 253.773 3.586 20 10 CHCDHN CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775736971 1122928781 /nfs/dbraw/zinc/92/87/81/1122928781.db2.gz ILUUJUATUVMVHB-NSHDSACASA-N 0 3 253.773 3.586 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000228631310 1123634137 /nfs/dbraw/zinc/63/41/37/1123634137.db2.gz UOJRBWXJCDTQKG-QWRGUYRKSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000228631310 1123634141 /nfs/dbraw/zinc/63/41/41/1123634141.db2.gz UOJRBWXJCDTQKG-QWRGUYRKSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1c(Cl)cccc1CNCc1cccc(C)c1O ZINC000897481913 1125527776 /nfs/dbraw/zinc/52/77/76/1125527776.db2.gz JWKXJQOXPJMTHC-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccccc1[O-] ZINC000121083199 1125556651 /nfs/dbraw/zinc/55/66/51/1125556651.db2.gz XMYPACUPEHOIKW-KRWDZBQOSA-N 0 3 284.403 3.699 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246942430 1125652021 /nfs/dbraw/zinc/65/20/21/1125652021.db2.gz LORYEGKHNWUYEZ-HNAYVOBHSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246942430 1125652023 /nfs/dbraw/zinc/65/20/23/1125652023.db2.gz LORYEGKHNWUYEZ-HNAYVOBHSA-N 0 3 297.398 3.546 20 10 CHCDHN CCOc1cccc(CNCc2ccc(OC)c(C)c2)c1 ZINC000037505722 1125720910 /nfs/dbraw/zinc/72/09/10/1125720910.db2.gz GTFWVGHVMZNZTD-UHFFFAOYSA-N 0 3 285.387 3.692 20 10 CHCDHN CCOc1ccc(C[N@H+](CC)CCC(F)(F)F)c([O-])c1 ZINC000769224871 1129895748 /nfs/dbraw/zinc/89/57/48/1129895748.db2.gz DIUYKLUUZPPORZ-UHFFFAOYSA-N 0 3 291.313 3.565 20 10 CHCDHN CCOc1ccc(C[N@@H+](CC)CCC(F)(F)F)c([O-])c1 ZINC000769224871 1129895754 /nfs/dbraw/zinc/89/57/54/1129895754.db2.gz DIUYKLUUZPPORZ-UHFFFAOYSA-N 0 3 291.313 3.565 20 10 CHCDHN CCOc1ccc(CN(CC)CCC(F)(F)F)c(O)c1 ZINC000769224871 1129895759 /nfs/dbraw/zinc/89/57/59/1129895759.db2.gz DIUYKLUUZPPORZ-UHFFFAOYSA-N 0 3 291.313 3.565 20 10 CHCDHN Cc1cscc1CNCc1ccc(N(C)C)c(F)c1 ZINC000785522760 1130038719 /nfs/dbraw/zinc/03/87/19/1130038719.db2.gz VGROAYWNGYUYSF-UHFFFAOYSA-N 0 3 278.396 3.551 20 10 CHCDHN CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccccc2[O-])s1 ZINC000179579035 1126831191 /nfs/dbraw/zinc/83/11/91/1126831191.db2.gz ZPWFWTKPFRQMPP-LBPRGKRZSA-N 0 3 290.432 3.913 20 10 CHCDHN CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccccc2[O-])s1 ZINC000179579035 1126831193 /nfs/dbraw/zinc/83/11/93/1126831193.db2.gz ZPWFWTKPFRQMPP-LBPRGKRZSA-N 0 3 290.432 3.913 20 10 CHCDHN C[C@H]([NH2+]CCCCC(F)(F)F)c1ccccc1[O-] ZINC000148808150 1126863341 /nfs/dbraw/zinc/86/33/41/1126863341.db2.gz MBPYWIOKGNWOEY-JTQLQIEISA-N 0 3 261.287 3.775 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000183412592 1126887156 /nfs/dbraw/zinc/88/71/56/1126887156.db2.gz ICCBWRFPHKBHIB-JKSUJKDBSA-N 0 3 296.414 3.569 20 10 CHCDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1cccnc1 ZINC000183546831 1126888861 /nfs/dbraw/zinc/88/88/61/1126888861.db2.gz ZUTBNDCSOPEEOV-WMLDXEAASA-N 0 3 284.403 3.878 20 10 CHCDHN COC[C@H](NCc1ccccc1O)c1ccc(Cl)cc1 ZINC000193279462 1126967952 /nfs/dbraw/zinc/96/79/52/1126967952.db2.gz FSKOKEDXQIWCBP-HNNXBMFYSA-N 0 3 291.778 3.523 20 10 CHCDHN COC[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000193279462 1126967955 /nfs/dbraw/zinc/96/79/55/1126967955.db2.gz FSKOKEDXQIWCBP-HNNXBMFYSA-N 0 3 291.778 3.523 20 10 CHCDHN CCO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000193434371 1126969182 /nfs/dbraw/zinc/96/91/82/1126969182.db2.gz NEJCPWXKBJRSHE-KSSFIOAISA-N 0 3 285.387 3.821 20 10 CHCDHN C[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237137094 1131056078 /nfs/dbraw/zinc/05/60/78/1131056078.db2.gz LPSYGZNMORMICB-JTQLQIEISA-N 0 3 273.298 3.785 20 10 CHCDHN C[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237137094 1131056081 /nfs/dbraw/zinc/05/60/81/1131056081.db2.gz LPSYGZNMORMICB-JTQLQIEISA-N 0 3 273.298 3.785 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)CC23CC3)c1[O-] ZINC001237689761 1131128615 /nfs/dbraw/zinc/12/86/15/1131128615.db2.gz PNIGVETUTKZOBB-SNVBAGLBSA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1[O-] ZINC000164923468 1127200137 /nfs/dbraw/zinc/20/01/37/1127200137.db2.gz OHCFQXQPXYRDGX-UHFFFAOYSA-N 0 3 271.404 3.759 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C/C=C/C2CC2)c1[O-] ZINC001117712578 1131193723 /nfs/dbraw/zinc/19/37/23/1131193723.db2.gz IONZZEULGNRRNF-PGLGOXFNSA-N 0 3 265.784 3.971 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000226582559 1127411865 /nfs/dbraw/zinc/41/18/65/1127411865.db2.gz KAQIFLVCPQVUON-UHFFFAOYSA-N 0 3 299.267 3.840 20 10 CHCDHN CC(C)[C@@H](C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000227436412 1127478153 /nfs/dbraw/zinc/47/81/53/1127478153.db2.gz AMKFEQDIUYSPOT-QGZVFWFLSA-N 0 3 269.388 3.922 20 10 CHCDHN Cc1sccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000293578496 1127506927 /nfs/dbraw/zinc/50/69/27/1127506927.db2.gz NMZTURHOOUHBOP-UHFFFAOYSA-N 0 3 278.396 3.551 20 10 CHCDHN C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1[O-] ZINC000360713121 1127507604 /nfs/dbraw/zinc/50/76/04/1127507604.db2.gz NOEMKSMJRSDDEM-CQSZACIVSA-N 0 3 289.419 3.782 20 10 CHCDHN CCc1nocc1CN(C)Cc1c(O)ccc2ccccc21 ZINC000293664298 1127511171 /nfs/dbraw/zinc/51/11/71/1127511171.db2.gz OBRRCLTXJRUISK-UHFFFAOYSA-N 0 3 296.370 3.728 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2CCSCC2)c([O-])c1 ZINC000293792326 1127520571 /nfs/dbraw/zinc/52/05/71/1127520571.db2.gz QQZBDIORQUSMLL-CYBMUJFWSA-N 0 3 279.449 3.803 20 10 CHCDHN CC[C@@H](NCc1occc1C)c1ccc(N(C)C)cc1 ZINC000293877131 1127528830 /nfs/dbraw/zinc/52/88/30/1127528830.db2.gz YMOQKUURUXQWLE-MRXNPFEDSA-N 0 3 272.392 3.895 20 10 CHCDHN CC[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1[O-] ZINC000060717523 1127565430 /nfs/dbraw/zinc/56/54/30/1127565430.db2.gz XBPUVTAEWATJOQ-INIZCTEOSA-N 0 3 291.341 3.954 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC000228606815 1127572079 /nfs/dbraw/zinc/57/20/79/1127572079.db2.gz XVRBCTIZXDRJQT-ZDUSSCGKSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC000228606815 1127572081 /nfs/dbraw/zinc/57/20/81/1127572081.db2.gz XVRBCTIZXDRJQT-ZDUSSCGKSA-N 0 3 283.799 3.675 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(C)cc1[O-] ZINC000296118399 1127662777 /nfs/dbraw/zinc/66/27/77/1127662777.db2.gz ZWUGFMTUZQZIAV-CJNGLKHVSA-N 0 3 287.407 3.719 20 10 CHCDHN CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000296800239 1127683217 /nfs/dbraw/zinc/68/32/17/1127683217.db2.gz LMSXLKQUJIULNX-BZUAXINKSA-N 0 3 289.419 3.563 20 10 CHCDHN C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1[N+](=O)[O-] ZINC000296920004 1127685651 /nfs/dbraw/zinc/68/56/51/1127685651.db2.gz PPSSNAVVXYVWCS-BXUZGUMPSA-N 0 3 298.342 3.639 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCOc3ccccc31)CC2 ZINC000297551423 1127699395 /nfs/dbraw/zinc/69/93/95/1127699395.db2.gz FRGQRECSVJITRT-ZBFHGGJFSA-N 0 3 295.382 3.535 20 10 CHCDHN Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297606073 1127701497 /nfs/dbraw/zinc/70/14/97/1127701497.db2.gz IFVFAMAJBSURON-SJORKVTESA-N 0 3 279.383 3.965 20 10 CHCDHN CCN(CC)CCC[N@H+](CC)Cc1cccc(Cl)c1[O-] ZINC000230745031 1127773768 /nfs/dbraw/zinc/77/37/68/1127773768.db2.gz SQXAXSBAMFYMDZ-UHFFFAOYSA-N 0 3 298.858 3.599 20 10 CHCDHN CCN(CC)CCC[N@@H+](CC)Cc1cccc(Cl)c1[O-] ZINC000230745031 1127773770 /nfs/dbraw/zinc/77/37/70/1127773770.db2.gz SQXAXSBAMFYMDZ-UHFFFAOYSA-N 0 3 298.858 3.599 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c([O-])c1 ZINC000371869991 1127782717 /nfs/dbraw/zinc/78/27/17/1127782717.db2.gz MCBKKAJLNJRQMK-LIRRHRJNSA-N 0 3 297.398 3.665 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000372096559 1127788117 /nfs/dbraw/zinc/78/81/17/1127788117.db2.gz TVVFVUIGFJCCSA-VHSSKADRSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C2CC2)C2CCC2)c([O-])c1 ZINC000325009453 1128009152 /nfs/dbraw/zinc/00/91/52/1128009152.db2.gz CEFXDSTWFCIBTE-PXAZEXFGSA-N 0 3 259.393 3.930 20 10 CHCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000245585647 1128042253 /nfs/dbraw/zinc/04/22/53/1128042253.db2.gz DKAZEJLOWUVRGO-SUMWQHHRSA-N 0 3 253.345 3.585 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000245585647 1128042259 /nfs/dbraw/zinc/04/22/59/1128042259.db2.gz DKAZEJLOWUVRGO-SUMWQHHRSA-N 0 3 253.345 3.585 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)ccc2C1 ZINC001168440948 1128067390 /nfs/dbraw/zinc/06/73/90/1128067390.db2.gz NQGVBKDWBKSSSY-QGZVFWFLSA-N 0 3 285.362 3.521 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2cc(F)ccc2C1 ZINC001168440948 1128067393 /nfs/dbraw/zinc/06/73/93/1128067393.db2.gz NQGVBKDWBKSSSY-QGZVFWFLSA-N 0 3 285.362 3.521 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccccc1[O-] ZINC000926922541 1128203016 /nfs/dbraw/zinc/20/30/16/1128203016.db2.gz ZTMDGEGCEZGORM-GUYCJALGSA-N 0 3 297.398 3.957 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccccc1[O-] ZINC000927062742 1128213096 /nfs/dbraw/zinc/21/30/96/1128213096.db2.gz LNEUGJUJQYVZDS-DOMZBBRYSA-N 0 3 268.360 3.515 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cc(F)ccc1[O-] ZINC000927127209 1128220794 /nfs/dbraw/zinc/22/07/94/1128220794.db2.gz GOAVHEHNQXMPRE-JSGCOSHPSA-N 0 3 293.382 3.674 20 10 CHCDHN CCCC[N@H+](C/C=C(\C)COC)Cc1ccccc1[O-] ZINC000930350655 1128314977 /nfs/dbraw/zinc/31/49/77/1128314977.db2.gz ILJFVXHVRNDVCL-XNTDXEJSSA-N 0 3 277.408 3.587 20 10 CHCDHN CCCC[N@@H+](C/C=C(\C)COC)Cc1ccccc1[O-] ZINC000930350655 1128314981 /nfs/dbraw/zinc/31/49/81/1128314981.db2.gz ILJFVXHVRNDVCL-XNTDXEJSSA-N 0 3 277.408 3.587 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cc(C)nnc1C ZINC000930351264 1128315234 /nfs/dbraw/zinc/31/52/34/1128315234.db2.gz NIHYGXTUNXQXRW-UHFFFAOYSA-N 0 3 299.418 3.601 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cc(C)nnc1C ZINC000930351264 1128315239 /nfs/dbraw/zinc/31/52/39/1128315239.db2.gz NIHYGXTUNXQXRW-UHFFFAOYSA-N 0 3 299.418 3.601 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)Cc1cccc(F)c1 ZINC001168499303 1128340715 /nfs/dbraw/zinc/34/07/15/1128340715.db2.gz YSNTUAOEGIEVTK-AWEZNQCLSA-N 0 3 287.378 3.984 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)Cc1cccc(F)c1 ZINC001168499303 1128340720 /nfs/dbraw/zinc/34/07/20/1128340720.db2.gz YSNTUAOEGIEVTK-AWEZNQCLSA-N 0 3 287.378 3.984 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1CF)c1ccccc1[O-] ZINC000931555261 1128368559 /nfs/dbraw/zinc/36/85/59/1128368559.db2.gz WIBNVVSMHGUPKU-LBPRGKRZSA-N 0 3 259.324 3.713 20 10 CHCDHN Cc1cc(CN[C@@H](c2ccccn2)C2CC2)ccc1N(C)C ZINC000932384110 1128407333 /nfs/dbraw/zinc/40/73/33/1128407333.db2.gz GFZHYBWBLQBPDB-LJQANCHMSA-N 0 3 295.430 3.697 20 10 CHCDHN CCOC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000778198619 1128444371 /nfs/dbraw/zinc/44/43/71/1128444371.db2.gz TURHMBIQMCCLSB-AWEZNQCLSA-N 0 3 285.387 3.574 20 10 CHCDHN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccccc1[O-] ZINC000780793302 1128451737 /nfs/dbraw/zinc/45/17/37/1128451737.db2.gz LCBADQPOALYTCU-ZYHUDNBSSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccccc1[O-] ZINC000780793302 1128451738 /nfs/dbraw/zinc/45/17/38/1128451738.db2.gz LCBADQPOALYTCU-ZYHUDNBSSA-N 0 3 273.298 3.555 20 10 CHCDHN CCCC[C@@H](COC)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000155902248 1128618029 /nfs/dbraw/zinc/61/80/29/1128618029.db2.gz QGRVAMHXXVSULJ-ZFWWWQNUSA-N 0 3 265.397 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccccc1[O-] ZINC000156410809 1128636083 /nfs/dbraw/zinc/63/60/83/1128636083.db2.gz YBIXAVSRZXDXAC-IRXDYDNUSA-N 0 3 291.435 3.764 20 10 CHCDHN C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779015209 1128680551 /nfs/dbraw/zinc/68/05/51/1128680551.db2.gz SEIDSULDUPEGOU-LBPRGKRZSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779015209 1128680554 /nfs/dbraw/zinc/68/05/54/1128680554.db2.gz SEIDSULDUPEGOU-LBPRGKRZSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779018421 1128681916 /nfs/dbraw/zinc/68/19/16/1128681916.db2.gz LORPYQJJBZEUJC-TYNCELHUSA-N 0 3 263.356 3.684 20 10 CHCDHN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779018421 1128681918 /nfs/dbraw/zinc/68/19/18/1128681918.db2.gz LORPYQJJBZEUJC-TYNCELHUSA-N 0 3 263.356 3.684 20 10 CHCDHN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779018417 1128682047 /nfs/dbraw/zinc/68/20/47/1128682047.db2.gz LORPYQJJBZEUJC-JMSVASOKSA-N 0 3 263.356 3.684 20 10 CHCDHN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779018417 1128682049 /nfs/dbraw/zinc/68/20/49/1128682049.db2.gz LORPYQJJBZEUJC-JMSVASOKSA-N 0 3 263.356 3.684 20 10 CHCDHN C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779018419 1128682087 /nfs/dbraw/zinc/68/20/87/1128682087.db2.gz LORPYQJJBZEUJC-LALPHHSUSA-N 0 3 263.356 3.684 20 10 CHCDHN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779018419 1128682088 /nfs/dbraw/zinc/68/20/88/1128682088.db2.gz LORPYQJJBZEUJC-LALPHHSUSA-N 0 3 263.356 3.684 20 10 CHCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779020259 1128683246 /nfs/dbraw/zinc/68/32/46/1128683246.db2.gz LBGSTMVPFPJIGN-HIFRSBDPSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779020259 1128683247 /nfs/dbraw/zinc/68/32/47/1128683247.db2.gz LBGSTMVPFPJIGN-HIFRSBDPSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000779034654 1128691714 /nfs/dbraw/zinc/69/17/14/1128691714.db2.gz ZEMIKUJOUFPOHF-SJCJKPOMSA-N 0 3 271.335 3.724 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000779034654 1128691717 /nfs/dbraw/zinc/69/17/17/1128691717.db2.gz ZEMIKUJOUFPOHF-SJCJKPOMSA-N 0 3 271.335 3.724 20 10 CHCDHN C[C@@H]1C[C@H]1c1ccc(CNCc2cc(F)ccc2O)o1 ZINC000779065328 1128716189 /nfs/dbraw/zinc/71/61/89/1128716189.db2.gz PDUVMHROXBXODX-QMTHXVAHSA-N 0 3 275.323 3.538 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000325064050 1117842471 /nfs/dbraw/zinc/84/24/71/1117842471.db2.gz UCQRPVVUNFEKPB-SJKOYZFVSA-N 0 3 259.393 3.930 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000111412944 1117877833 /nfs/dbraw/zinc/87/78/33/1117877833.db2.gz IJDFGDHSBDTDOR-QZTJIDSGSA-N 0 3 297.398 3.827 20 10 CHCDHN CCC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000179523319 1128746303 /nfs/dbraw/zinc/74/63/03/1128746303.db2.gz ZFDNJLNTHZYCPV-AWEZNQCLSA-N 0 3 263.381 3.555 20 10 CHCDHN CCC[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000179523319 1128746306 /nfs/dbraw/zinc/74/63/06/1128746306.db2.gz ZFDNJLNTHZYCPV-AWEZNQCLSA-N 0 3 263.381 3.555 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075099 1117963506 /nfs/dbraw/zinc/96/35/06/1117963506.db2.gz WNDKJASAJUSGRJ-KRWDZBQOSA-N 0 3 253.345 3.633 20 10 CHCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@H](c2ccco2)C1 ZINC000179582887 1128748807 /nfs/dbraw/zinc/74/88/07/1128748807.db2.gz OCOGKZNCGYAXLV-ZFWWWQNUSA-N 0 3 271.360 3.958 20 10 CHCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H](c2ccco2)C1 ZINC000179582887 1128748809 /nfs/dbraw/zinc/74/88/09/1128748809.db2.gz OCOGKZNCGYAXLV-ZFWWWQNUSA-N 0 3 271.360 3.958 20 10 CHCDHN CC[C@@H]([NH2+]CCSC(F)(F)F)c1ccccc1[O-] ZINC000186121345 1118003983 /nfs/dbraw/zinc/00/39/83/1118003983.db2.gz VZPUFWRHZJIGSS-SNVBAGLBSA-N 0 3 279.327 3.686 20 10 CHCDHN CCOc1cccc(CN(C)Cc2ccc(F)cc2)c1O ZINC000179646486 1128751693 /nfs/dbraw/zinc/75/16/93/1128751693.db2.gz XIVAXHVANWEFCE-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN COc1ccccc1C1(N[C@H](C)c2ccccc2O)CC1 ZINC000842902243 1118163462 /nfs/dbraw/zinc/16/34/62/1118163462.db2.gz MPWLOSNYVCNKQZ-CYBMUJFWSA-N 0 3 283.371 3.741 20 10 CHCDHN COc1ccccc1C1([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000842902243 1118163463 /nfs/dbraw/zinc/16/34/63/1118163463.db2.gz MPWLOSNYVCNKQZ-CYBMUJFWSA-N 0 3 283.371 3.741 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccnc(Cl)c1 ZINC000765609960 1118182416 /nfs/dbraw/zinc/18/24/16/1118182416.db2.gz SAPBZGGKRDJIHO-NSHDSACASA-N 0 3 288.778 3.521 20 10 CHCDHN COc1cccc([C@H](C)NCc2ccc3c(c2)CCCO3)c1 ZINC000921563576 1118201284 /nfs/dbraw/zinc/20/12/84/1118201284.db2.gz MPCRCZXJILSCAM-AWEZNQCLSA-N 0 3 297.398 3.871 20 10 CHCDHN C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cc(F)ccc1[O-] ZINC000188664730 1128763947 /nfs/dbraw/zinc/76/39/47/1128763947.db2.gz PZRPTNKZJJUEBN-SJKOYZFVSA-N 0 3 295.398 3.513 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1[O-] ZINC000179888152 1128765028 /nfs/dbraw/zinc/76/50/28/1128765028.db2.gz NCXNSMFIFJVPPC-LLVKDONJSA-N 0 3 293.313 3.844 20 10 CHCDHN C[C@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000179887144 1128765112 /nfs/dbraw/zinc/76/51/12/1128765112.db2.gz ZBLNVBPBFRICCU-LBPRGKRZSA-N 0 3 291.778 3.775 20 10 CHCDHN COc1ccc([C@@H](C)[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000179910267 1128765606 /nfs/dbraw/zinc/76/56/06/1128765606.db2.gz GATLHGGQSMOWPC-GFCCVEGCSA-N 0 3 289.350 3.733 20 10 CHCDHN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000179910267 1128765608 /nfs/dbraw/zinc/76/56/08/1128765608.db2.gz GATLHGGQSMOWPC-GFCCVEGCSA-N 0 3 289.350 3.733 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000179905795 1128766138 /nfs/dbraw/zinc/76/61/38/1128766138.db2.gz DTJXNQPEYWITBK-INIZCTEOSA-N 0 3 271.335 3.651 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000179905795 1128766139 /nfs/dbraw/zinc/76/61/39/1128766139.db2.gz DTJXNQPEYWITBK-INIZCTEOSA-N 0 3 271.335 3.651 20 10 CHCDHN Cc1ccc2c(CC[NH2+]Cc3ccccc3[O-])c[nH]c2c1 ZINC000237885675 1128766369 /nfs/dbraw/zinc/76/63/69/1128766369.db2.gz ODSYKJHYNAWDNJ-UHFFFAOYSA-N 0 3 280.371 3.514 20 10 CHCDHN CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000075944386 1118282527 /nfs/dbraw/zinc/28/25/27/1118282527.db2.gz FRABYLDKUJKNHC-INIZCTEOSA-N 0 3 255.361 3.503 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000076074013 1128768617 /nfs/dbraw/zinc/76/86/17/1128768617.db2.gz CGQCRPWOUJZLOZ-IBGZPJMESA-N 0 3 299.414 3.646 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(C)cc1 ZINC000076074013 1128768618 /nfs/dbraw/zinc/76/86/18/1128768618.db2.gz CGQCRPWOUJZLOZ-IBGZPJMESA-N 0 3 299.414 3.646 20 10 CHCDHN CCOC1CC(CC[NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000189247466 1128770172 /nfs/dbraw/zinc/77/01/72/1128770172.db2.gz SZNJSAMXFCKQBJ-XUJLQICISA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c([O-])c1 ZINC000188661156 1118325851 /nfs/dbraw/zinc/32/58/51/1118325851.db2.gz LJRNTZHXSUEXFD-KSSFIOAISA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccccc1[O-] ZINC000188660467 1118326313 /nfs/dbraw/zinc/32/63/13/1118326313.db2.gz CJFAGPCKXPBMNE-SJLPKXTDSA-N 0 3 291.435 3.764 20 10 CHCDHN CCOCCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000285363968 1118399773 /nfs/dbraw/zinc/39/97/73/1118399773.db2.gz VTGLBXYTAIMYGX-OAHLLOKOSA-N 0 3 291.435 3.866 20 10 CHCDHN Cc1ccc2cc(C[N@@H+](C)Cc3ccccc3[O-])ccc2n1 ZINC000189740452 1128783619 /nfs/dbraw/zinc/78/36/19/1128783619.db2.gz BOTKJJFEVHNFQH-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccc2cc(C[N@H+](C)Cc3ccccc3[O-])ccc2n1 ZINC000189740452 1128783622 /nfs/dbraw/zinc/78/36/22/1128783622.db2.gz BOTKJJFEVHNFQH-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000092326650 1118583027 /nfs/dbraw/zinc/58/30/27/1118583027.db2.gz CRDKNGBUGSOJKP-QWRGUYRKSA-N 0 3 274.364 3.717 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)c([O-])c1 ZINC000834906991 1118625949 /nfs/dbraw/zinc/62/59/49/1118625949.db2.gz VODIEHKWIAFHLG-AWEZNQCLSA-N 0 3 291.435 3.683 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)c([O-])c1 ZINC000834906992 1118626007 /nfs/dbraw/zinc/62/60/07/1118626007.db2.gz VODIEHKWIAFHLG-CQSZACIVSA-N 0 3 291.435 3.683 20 10 CHCDHN Cc1cc(C)c(O)c(CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000754723444 1118644237 /nfs/dbraw/zinc/64/42/37/1118644237.db2.gz KJYOQUQXSULEQB-UHFFFAOYSA-N 0 3 291.341 3.919 20 10 CHCDHN CN(C)c1ccc(/C=C/CN2CCC(C(F)F)CC2)cc1 ZINC000835028159 1118806974 /nfs/dbraw/zinc/80/69/74/1118806974.db2.gz KDQDKADONYJMJN-ONEGZZNKSA-N 0 3 294.389 3.743 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000252873733 1118847928 /nfs/dbraw/zinc/84/79/28/1118847928.db2.gz VQVWJFITFULGKA-JTNHKYCSSA-N 0 3 297.826 3.969 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)CCSC)c1ccccc1[O-] ZINC000129683483 1118880504 /nfs/dbraw/zinc/88/05/04/1118880504.db2.gz DMEUGFPGKAJMBB-AAEUAGOBSA-N 0 3 253.411 3.575 20 10 CHCDHN C[C@@H](NCc1ccc(F)cc1F)c1ccccc1O ZINC000051016633 1119360584 /nfs/dbraw/zinc/36/05/84/1119360584.db2.gz NNVOXZQVEWQXNX-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN CCC[N@H+](Cc1cnc(CC)s1)Cc1ccccc1[O-] ZINC000092704946 1119565020 /nfs/dbraw/zinc/56/50/20/1119565020.db2.gz NARKVBDFSJYWTL-UHFFFAOYSA-N 0 3 290.432 3.823 20 10 CHCDHN CCC[N@@H+](Cc1cnc(CC)s1)Cc1ccccc1[O-] ZINC000092704946 1119565022 /nfs/dbraw/zinc/56/50/22/1119565022.db2.gz NARKVBDFSJYWTL-UHFFFAOYSA-N 0 3 290.432 3.823 20 10 CHCDHN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000179580528 1119751866 /nfs/dbraw/zinc/75/18/66/1119751866.db2.gz XEHIIQGXXJSQSB-YOEHRIQHSA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000179580528 1119751869 /nfs/dbraw/zinc/75/18/69/1119751869.db2.gz XEHIIQGXXJSQSB-YOEHRIQHSA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccccc1[O-] ZINC000179581126 1119751934 /nfs/dbraw/zinc/75/19/34/1119751934.db2.gz CPMVWRVXCVEBHN-LBPRGKRZSA-N 0 3 261.390 3.517 20 10 CHCDHN C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000179581126 1119751937 /nfs/dbraw/zinc/75/19/37/1119751937.db2.gz CPMVWRVXCVEBHN-LBPRGKRZSA-N 0 3 261.390 3.517 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccnc1 ZINC000725841686 1119766998 /nfs/dbraw/zinc/76/69/98/1119766998.db2.gz USFGJCTZKXOZKG-UHFFFAOYSA-N 0 3 290.366 3.744 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1[O-] ZINC000694289314 1119836557 /nfs/dbraw/zinc/83/65/57/1119836557.db2.gz SAPXOHCNZJCAEB-COPLHBTASA-N 0 3 295.810 3.580 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccc(F)cc21 ZINC000177716238 1119847176 /nfs/dbraw/zinc/84/71/76/1119847176.db2.gz KOEHVQSWRAWMAC-MRXNPFEDSA-N 0 3 271.335 3.651 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccc(F)cc21 ZINC000177716238 1119847180 /nfs/dbraw/zinc/84/71/80/1119847180.db2.gz KOEHVQSWRAWMAC-MRXNPFEDSA-N 0 3 271.335 3.651 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2ccc(F)cc21 ZINC000177716250 1119847194 /nfs/dbraw/zinc/84/71/94/1119847194.db2.gz KOEHVQSWRAWMAC-INIZCTEOSA-N 0 3 271.335 3.651 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2ccc(F)cc21 ZINC000177716250 1119847197 /nfs/dbraw/zinc/84/71/97/1119847197.db2.gz KOEHVQSWRAWMAC-INIZCTEOSA-N 0 3 271.335 3.651 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)c([O-])c1 ZINC000311858326 1120113358 /nfs/dbraw/zinc/11/33/58/1120113358.db2.gz JZWCFEQPSUPJAP-UWLZSVRSSA-N 0 3 259.393 3.930 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+](C)C(C)(C)C)c1[O-] ZINC000394389053 1120121270 /nfs/dbraw/zinc/12/12/70/1120121270.db2.gz ZPPKKEDGAMUQKZ-UHFFFAOYSA-N 0 3 286.213 3.693 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+](C)C(C)(C)C)c1[O-] ZINC000394389053 1120121266 /nfs/dbraw/zinc/12/12/66/1120121266.db2.gz ZPPKKEDGAMUQKZ-UHFFFAOYSA-N 0 3 286.213 3.693 20 10 CHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)cc1[O-] ZINC001140954441 1120145480 /nfs/dbraw/zinc/14/54/80/1120145480.db2.gz RNYJPUQKXRDVNS-UHFFFAOYSA-N 0 3 298.430 3.789 20 10 CHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)cc1[O-] ZINC001140954441 1120145483 /nfs/dbraw/zinc/14/54/83/1120145483.db2.gz RNYJPUQKXRDVNS-UHFFFAOYSA-N 0 3 298.430 3.789 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3ccccc3C1)CC2 ZINC000314450166 1120210933 /nfs/dbraw/zinc/21/09/33/1120210933.db2.gz DOEXVVPKXARMAS-IAGOWNOFSA-N 0 3 279.383 3.527 20 10 CHCDHN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180250144 1120269726 /nfs/dbraw/zinc/26/97/26/1120269726.db2.gz XKEFECGUDUDGFX-KGLIPLIRSA-N 0 3 283.412 3.637 20 10 CHCDHN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180250144 1120269728 /nfs/dbraw/zinc/26/97/28/1120269728.db2.gz XKEFECGUDUDGFX-KGLIPLIRSA-N 0 3 283.412 3.637 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000183440745 1120342018 /nfs/dbraw/zinc/34/20/18/1120342018.db2.gz LNVZEIOCELZUAP-GJZGRUSLSA-N 0 3 290.451 3.553 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccsc1 ZINC000922108358 1120369075 /nfs/dbraw/zinc/36/90/75/1120369075.db2.gz PYENCSCHEGEMTM-GFCCVEGCSA-N 0 3 273.401 3.924 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCOC2CCCC2)c2c1c(F)ccc2[O-] ZINC000756491568 1120382867 /nfs/dbraw/zinc/38/28/67/1120382867.db2.gz VXBSYPOTCMNUQN-FZMZJTMJSA-N 0 3 293.382 3.628 20 10 CHCDHN CCC[C@H](NCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000756515454 1120417421 /nfs/dbraw/zinc/41/74/21/1120417421.db2.gz MZSYRRWWJSODMY-KRWDZBQOSA-N 0 3 282.387 3.648 20 10 CHCDHN CCOC1(C[NH2+][C@@H](CC)c2ccccc2[O-])CCCC1 ZINC000312487716 1120448516 /nfs/dbraw/zinc/44/85/16/1120448516.db2.gz QMAOVHPRIAVSNO-HNNXBMFYSA-N 0 3 277.408 3.782 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccsc1 ZINC000310771716 1120485163 /nfs/dbraw/zinc/48/51/63/1120485163.db2.gz CVJHYRVYXMIEMG-MFKMUULPSA-N 0 3 259.374 3.792 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)c([O-])c1 ZINC000692692150 1120488181 /nfs/dbraw/zinc/48/81/81/1120488181.db2.gz QIHTVERSFCESMH-KGLIPLIRSA-N 0 3 270.376 3.550 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccccc1[O-] ZINC000019909220 1120544940 /nfs/dbraw/zinc/54/49/40/1120544940.db2.gz KLQMSXJLRZKYRJ-INIZCTEOSA-N 0 3 271.360 3.642 20 10 CHCDHN Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000922671186 1120576504 /nfs/dbraw/zinc/57/65/04/1120576504.db2.gz NTUILFUPPBZOFQ-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020096743 1120584819 /nfs/dbraw/zinc/58/48/19/1120584819.db2.gz BTASRJDHHMNLDA-STQMWFEESA-N 0 3 271.360 3.813 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([O-])c1 ZINC001237045366 1128952259 /nfs/dbraw/zinc/95/22/59/1128952259.db2.gz JOKSHVAPZGCUJR-LBPRGKRZSA-N 0 3 283.362 3.993 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c([O-])c1 ZINC001237045366 1128952262 /nfs/dbraw/zinc/95/22/62/1128952262.db2.gz JOKSHVAPZGCUJR-LBPRGKRZSA-N 0 3 283.362 3.993 20 10 CHCDHN CCC[N@H+](Cc1ccsc1)Cc1ccccc1[O-] ZINC000092705069 1120964260 /nfs/dbraw/zinc/96/42/60/1120964260.db2.gz QNKNLLXBHQHPGX-UHFFFAOYSA-N 0 3 261.390 3.866 20 10 CHCDHN CCC[N@@H+](Cc1ccsc1)Cc1ccccc1[O-] ZINC000092705069 1120964262 /nfs/dbraw/zinc/96/42/62/1120964262.db2.gz QNKNLLXBHQHPGX-UHFFFAOYSA-N 0 3 261.390 3.866 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c([O-])c1 ZINC001237045361 1128952767 /nfs/dbraw/zinc/95/27/67/1128952767.db2.gz JOKSHVAPZGCUJR-GFCCVEGCSA-N 0 3 283.362 3.993 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c([O-])c1 ZINC001237045361 1128952769 /nfs/dbraw/zinc/95/27/69/1128952769.db2.gz JOKSHVAPZGCUJR-GFCCVEGCSA-N 0 3 283.362 3.993 20 10 CHCDHN C[C@H]([NH2+]CCCOc1ccccc1)c1cc(F)ccc1[O-] ZINC000094618083 1121085428 /nfs/dbraw/zinc/08/54/28/1121085428.db2.gz KDYLNKHXFYLXKK-ZDUSSCGKSA-N 0 3 289.350 3.651 20 10 CHCDHN CO[C@@H](C)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000182382064 1128963725 /nfs/dbraw/zinc/96/37/25/1128963725.db2.gz DLCOCQXCHGSMHW-HOTGVXAUSA-N 0 3 299.414 3.990 20 10 CHCDHN CO[C@@H](C)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000182382064 1128963728 /nfs/dbraw/zinc/96/37/28/1128963728.db2.gz DLCOCQXCHGSMHW-HOTGVXAUSA-N 0 3 299.414 3.990 20 10 CHCDHN CN1CCC=C(N(c2ccccc2)c2ccc(N)cc2)C1 ZINC001175579951 1121397990 /nfs/dbraw/zinc/39/79/90/1121397990.db2.gz INWIRNUWIOUAMR-UHFFFAOYSA-N 0 3 279.387 3.626 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1[O-] ZINC000709496876 1121470617 /nfs/dbraw/zinc/47/06/17/1121470617.db2.gz BOWIYYZXVZHCMW-KBPBESRZSA-N 0 3 275.392 3.535 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c([O-])c1 ZINC000248517241 1121572884 /nfs/dbraw/zinc/57/28/84/1121572884.db2.gz PGJLGILSQLLRBW-MPGHIAIKSA-N 0 3 291.435 3.802 20 10 CHCDHN CC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000727825266 1121750585 /nfs/dbraw/zinc/75/05/85/1121750585.db2.gz XMPMZAAUHCQWDE-AWEZNQCLSA-N 0 3 285.387 3.928 20 10 CHCDHN CC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000727825266 1121750592 /nfs/dbraw/zinc/75/05/92/1121750592.db2.gz XMPMZAAUHCQWDE-AWEZNQCLSA-N 0 3 285.387 3.928 20 10 CHCDHN COc1ccc(C2(NCc3ccc(OC)c(C)c3)CC2)cc1 ZINC000731678566 1121879924 /nfs/dbraw/zinc/87/99/24/1121879924.db2.gz QGZXLBCZEZBGOQ-UHFFFAOYSA-N 0 3 297.398 3.791 20 10 CHCDHN CCc1cnccc1[C@H](C)NCc1ccc(N(C)CC)cc1 ZINC000773835484 1121914567 /nfs/dbraw/zinc/91/45/67/1121914567.db2.gz FWIMJHMKSBEEHW-HNNXBMFYSA-N 0 3 297.446 3.951 20 10 CHCDHN CCN(C)c1ccc(CN[C@@H](C)c2cnccc2C)cc1 ZINC000773840799 1121962280 /nfs/dbraw/zinc/96/22/80/1121962280.db2.gz QOQGVVPGIGNJTK-HNNXBMFYSA-N 0 3 283.419 3.697 20 10 CHCDHN COc1ccccc1CN(C)Cc1ccc(N(C)C)cc1C ZINC001180489212 1121990676 /nfs/dbraw/zinc/99/06/76/1121990676.db2.gz WSJCNYIBGBYDBY-UHFFFAOYSA-N 0 3 298.430 3.702 20 10 CHCDHN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])cc1 ZINC001204275659 1122001463 /nfs/dbraw/zinc/00/14/63/1122001463.db2.gz XWBQHJLPQFFNKY-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])cc1 ZINC001204275659 1122001473 /nfs/dbraw/zinc/00/14/73/1122001473.db2.gz XWBQHJLPQFFNKY-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN CC1(C)CCC[C@@H]1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC001183010438 1122199340 /nfs/dbraw/zinc/19/93/40/1122199340.db2.gz HNKJVJDDHXJFHJ-CYBMUJFWSA-N 0 3 265.372 3.837 20 10 CHCDHN COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c([O-])c1 ZINC000162717479 1122202880 /nfs/dbraw/zinc/20/28/80/1122202880.db2.gz PEOHLFCCAJHLAM-CQSZACIVSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)c([O-])c1 ZINC000162717479 1122202883 /nfs/dbraw/zinc/20/28/83/1122202883.db2.gz PEOHLFCCAJHLAM-CQSZACIVSA-N 0 3 289.400 3.799 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000272803928 1122212935 /nfs/dbraw/zinc/21/29/35/1122212935.db2.gz BVOAYNYNDAAAAI-WOSRLPQWSA-N 0 3 277.408 3.637 20 10 CHCDHN COc1ccc(C)cc1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183389819 1129051862 /nfs/dbraw/zinc/05/18/62/1129051862.db2.gz XCLFTOFSUBTIMN-CQSZACIVSA-N 0 3 285.387 3.603 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1F ZINC000183392982 1129051902 /nfs/dbraw/zinc/05/19/02/1129051902.db2.gz ZBTUWQJDOIFAOG-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000825321977 1122427299 /nfs/dbraw/zinc/42/72/99/1122427299.db2.gz TYIPKVXEYXMKPF-CYBMUJFWSA-N 0 3 297.826 3.603 20 10 CHCDHN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000825321977 1122427301 /nfs/dbraw/zinc/42/73/01/1122427301.db2.gz TYIPKVXEYXMKPF-CYBMUJFWSA-N 0 3 297.826 3.603 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000183440728 1129055173 /nfs/dbraw/zinc/05/51/73/1129055173.db2.gz LNVZEIOCELZUAP-CABCVRRESA-N 0 3 290.451 3.553 20 10 CHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])COCc1ccccc1 ZINC000183459167 1129055851 /nfs/dbraw/zinc/05/58/51/1129055851.db2.gz VVXXUDUNAKKOMP-HZPDHXFCSA-N 0 3 299.414 3.896 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)c1ccccc1[O-] ZINC000183534813 1129061020 /nfs/dbraw/zinc/06/10/20/1129061020.db2.gz NCXUOPGUMLUTJM-QWHCGFSZSA-N 0 3 289.350 3.649 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1OC)c1ccccc1[O-] ZINC000775413775 1122556008 /nfs/dbraw/zinc/55/60/08/1122556008.db2.gz AWYKSJSIBJQHHA-MRXNPFEDSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)COc1ccccc1)c1ccccc1[O-] ZINC000775495869 1122624387 /nfs/dbraw/zinc/62/43/87/1122624387.db2.gz DYECPANTQMFFKX-PBHICJAKSA-N 0 3 285.387 3.900 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccc1[O-] ZINC000775503424 1122631059 /nfs/dbraw/zinc/63/10/59/1122631059.db2.gz IGQHUXGUUJAFGR-CZUORRHYSA-N 0 3 287.407 3.972 20 10 CHCDHN CC[C@@H]([NH2+]CC1CCC(OC)CC1)c1ccccc1[O-] ZINC000775510902 1122633695 /nfs/dbraw/zinc/63/36/95/1122633695.db2.gz AOHZXAOJXIRXEE-ZBCRRDGASA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@@H]([NH2+]CC1Cc2ccccc2C1)c1ccccc1[O-] ZINC000775523041 1122639323 /nfs/dbraw/zinc/63/93/23/1122639323.db2.gz DWCICNOTRONNIR-GOSISDBHSA-N 0 3 281.399 3.848 20 10 CHCDHN CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000775522405 1122639547 /nfs/dbraw/zinc/63/95/47/1122639547.db2.gz OPOMBGJTTSAIEP-BHYGNILZSA-N 0 3 291.435 3.764 20 10 CHCDHN CC[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccccc1[O-] ZINC000775526629 1122643563 /nfs/dbraw/zinc/64/35/63/1122643563.db2.gz SKBALXZFDJCXLX-WMZOPIPTSA-N 0 3 282.387 3.979 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(OC(C)C)CC2)c1[O-] ZINC000775663558 1122875617 /nfs/dbraw/zinc/87/56/17/1122875617.db2.gz NKRNRJKDMIXTFW-UHFFFAOYSA-N 0 3 297.826 3.743 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000775677154 1122901271 /nfs/dbraw/zinc/90/12/71/1122901271.db2.gz HYIOATRCGSAIDK-AWEZNQCLSA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000775677154 1122901273 /nfs/dbraw/zinc/90/12/73/1122901273.db2.gz HYIOATRCGSAIDK-AWEZNQCLSA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC(C)(C)C2)c1[O-] ZINC000775691469 1122912316 /nfs/dbraw/zinc/91/23/16/1122912316.db2.gz XXGBHOJJLZVZAP-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC(C)(C)C2)c1[O-] ZINC000775691469 1122912318 /nfs/dbraw/zinc/91/23/18/1122912318.db2.gz XXGBHOJJLZVZAP-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+]C2(C)CCCC2)c1[O-] ZINC000775819447 1122980865 /nfs/dbraw/zinc/98/08/65/1122980865.db2.gz HTOIANOCBSSOHO-UHFFFAOYSA-N 0 3 298.224 3.885 20 10 CHCDHN Cc1cc(O)c(CN2Cc3ccccc3C2)cc1C ZINC000106063276 1123122475 /nfs/dbraw/zinc/12/24/75/1123122475.db2.gz YMPOUWMFQHNXSX-UHFFFAOYSA-N 0 3 253.345 3.525 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC(F)(F)C2)c1[O-] ZINC000776251389 1123179481 /nfs/dbraw/zinc/17/94/81/1123179481.db2.gz GSGNJZZWSSFCNU-NSHDSACASA-N 0 3 275.726 3.631 20 10 CHCDHN CC1(C)C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CO1 ZINC000850341266 1123253598 /nfs/dbraw/zinc/25/35/98/1123253598.db2.gz DZCRVFWSPZCVDQ-KRWDZBQOSA-N 0 3 297.398 3.716 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(C)cc1[O-] ZINC000850483547 1123274201 /nfs/dbraw/zinc/27/42/01/1123274201.db2.gz ZTXFDMOUZGJNTM-GOEBONIOSA-N 0 3 290.451 3.614 20 10 CHCDHN CSCC1(CC[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000850506098 1123276216 /nfs/dbraw/zinc/27/62/16/1123276216.db2.gz FNRFBWMOGZBRSV-LBPRGKRZSA-N 0 3 265.422 3.576 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)c2c1c(F)ccc2[O-] ZINC000850531528 1123284977 /nfs/dbraw/zinc/28/49/77/1123284977.db2.gz LGESARSSHVHUPV-MFKMUULPSA-N 0 3 275.323 3.505 20 10 CHCDHN C[C@@H]([NH2+]CCc1cn(C)c2ccccc12)c1ccccc1[O-] ZINC000850533898 1123285819 /nfs/dbraw/zinc/28/58/19/1123285819.db2.gz DDGJADDCQIAHSM-CQSZACIVSA-N 0 3 294.398 3.777 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccoc2)c1[O-] ZINC000850532777 1123285850 /nfs/dbraw/zinc/28/58/50/1123285850.db2.gz XDZMDRHRTKWUHG-NSHDSACASA-N 0 3 279.767 3.840 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c([O-])c1 ZINC000850537672 1123288008 /nfs/dbraw/zinc/28/80/08/1123288008.db2.gz WXTLHDDXDDVSSV-SMDDNHRTSA-N 0 3 269.335 3.787 20 10 CHCDHN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(N(C)C)cc1 ZINC000850543397 1123288715 /nfs/dbraw/zinc/28/87/15/1123288715.db2.gz IXIMFLDBEWRTPX-BFUOFWGJSA-N 0 3 296.414 3.796 20 10 CHCDHN CC[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccccc1[O-] ZINC000850550507 1123289194 /nfs/dbraw/zinc/28/91/94/1123289194.db2.gz NUEWZSPLEAXVKM-INIZCTEOSA-N 0 3 299.418 3.634 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)c2c1c(F)ccc2[O-] ZINC000850552676 1123289970 /nfs/dbraw/zinc/28/99/70/1123289970.db2.gz PJDRAUJCGFZEMJ-UISBYWKRSA-N 0 3 299.336 3.961 20 10 CHCDHN CO[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C1CCCCC1 ZINC000850569597 1123294604 /nfs/dbraw/zinc/29/46/04/1123294604.db2.gz KADRQYCTMDRBRO-RDJZCZTQSA-N 0 3 289.419 3.564 20 10 CHCDHN CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](C)O)c1ccccc1[O-] ZINC000850582914 1123296002 /nfs/dbraw/zinc/29/60/02/1123296002.db2.gz HOTIWSBEYJPSRQ-SKDZVZGDSA-N 0 3 285.387 3.555 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1C)c1ccccc1[O-] ZINC000850578322 1123296107 /nfs/dbraw/zinc/29/61/07/1123296107.db2.gz KRRBSCUJQTVYHW-INIZCTEOSA-N 0 3 285.387 3.950 20 10 CHCDHN CCN(C)c1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783508132 1123388996 /nfs/dbraw/zinc/38/89/96/1123388996.db2.gz GNKDHEPCZCDQCT-AWEZNQCLSA-N 0 3 284.403 3.699 20 10 CHCDHN Cc1cc(C)cc(CC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000783512918 1123408293 /nfs/dbraw/zinc/40/82/93/1123408293.db2.gz HCVZCEHTAWHZEE-OAHLLOKOSA-N 0 3 269.388 3.902 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)c([O-])c1 ZINC000854226892 1123478060 /nfs/dbraw/zinc/47/80/60/1123478060.db2.gz SBDJWBSGYQDJMN-SJKOYZFVSA-N 0 3 282.387 3.621 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(N)c2)c1[O-] ZINC000854216047 1123478227 /nfs/dbraw/zinc/47/82/27/1123478227.db2.gz SJOKWFCYSRCDTG-LLVKDONJSA-N 0 3 290.794 3.787 20 10 CHCDHN C[C@H]([NH2+]CCCc1cccs1)c1ccccc1[O-] ZINC000783526713 1123497497 /nfs/dbraw/zinc/49/74/97/1123497497.db2.gz XRUMWNVNDHPKDL-LBPRGKRZSA-N 0 3 261.390 3.737 20 10 CHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCC=CO1)C1CCCC1 ZINC000193932659 1129125842 /nfs/dbraw/zinc/12/58/42/1129125842.db2.gz RQNXEOKCOAAUGX-KRWDZBQOSA-N 0 3 287.403 3.830 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCC=CO1)C1CCCC1 ZINC000193932659 1129125846 /nfs/dbraw/zinc/12/58/46/1129125846.db2.gz RQNXEOKCOAAUGX-KRWDZBQOSA-N 0 3 287.403 3.830 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)CC2CC(F)(F)C2)c1[O-] ZINC001237686044 1129128165 /nfs/dbraw/zinc/12/81/65/1129128165.db2.gz GDWLMTSXHCTDRT-UHFFFAOYSA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CC2CC(F)(F)C2)c1[O-] ZINC001237686044 1129128167 /nfs/dbraw/zinc/12/81/67/1129128167.db2.gz GDWLMTSXHCTDRT-UHFFFAOYSA-N 0 3 289.753 3.831 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)CC2 ZINC000857080442 1123585064 /nfs/dbraw/zinc/58/50/64/1123585064.db2.gz GMZPYJFFPITURH-WDEREUQCSA-N 0 3 286.202 3.553 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000896609395 1123605260 /nfs/dbraw/zinc/60/52/60/1123605260.db2.gz NGTGVISBQXBOKF-LJQANCHMSA-N 0 3 295.430 3.697 20 10 CHCDHN CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228630092 1123634519 /nfs/dbraw/zinc/63/45/19/1123634519.db2.gz XNMFLNZZYHFXNK-LLVKDONJSA-N 0 3 283.799 3.676 20 10 CHCDHN CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228630092 1123634520 /nfs/dbraw/zinc/63/45/20/1123634520.db2.gz XNMFLNZZYHFXNK-LLVKDONJSA-N 0 3 283.799 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC000228631210 1123634466 /nfs/dbraw/zinc/63/44/66/1123634466.db2.gz HLIBFECXFGVBKI-LLVKDONJSA-N 0 3 283.799 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC000228631210 1123634469 /nfs/dbraw/zinc/63/44/69/1123634469.db2.gz HLIBFECXFGVBKI-LLVKDONJSA-N 0 3 283.799 3.676 20 10 CHCDHN Cc1ccc(CNCc2cc(C)ccc2O)c(Cl)c1 ZINC000858239375 1123639486 /nfs/dbraw/zinc/63/94/86/1123639486.db2.gz MSIVTWJYAOACBD-UHFFFAOYSA-N 0 3 275.779 3.952 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000858330255 1123645872 /nfs/dbraw/zinc/64/58/72/1123645872.db2.gz MIKMEOPWSXETFO-UHFFFAOYSA-N 0 3 295.304 3.787 20 10 CHCDHN Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccccc2[O-])nc1 ZINC000858487591 1123657486 /nfs/dbraw/zinc/65/74/86/1123657486.db2.gz CNLXOPRLLZLDNH-CQSZACIVSA-N 0 3 284.403 3.724 20 10 CHCDHN CCCC[N@H+](Cc1ccnc(F)c1)Cc1ccccc1[O-] ZINC000859296611 1123694182 /nfs/dbraw/zinc/69/41/82/1123694182.db2.gz MBYOIGUPRCMJLD-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN CCCC[N@@H+](Cc1ccnc(F)c1)Cc1ccccc1[O-] ZINC000859296611 1123694184 /nfs/dbraw/zinc/69/41/84/1123694184.db2.gz MBYOIGUPRCMJLD-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN CCC[N@H+](Cc1cccc2n[nH]cc21)Cc1ccccc1[O-] ZINC000862237389 1123794009 /nfs/dbraw/zinc/79/40/09/1123794009.db2.gz NLMDCYSUIFCAHL-UHFFFAOYSA-N 0 3 295.386 3.681 20 10 CHCDHN CCC[N@@H+](Cc1cccc2n[nH]cc21)Cc1ccccc1[O-] ZINC000862237389 1123794011 /nfs/dbraw/zinc/79/40/11/1123794011.db2.gz NLMDCYSUIFCAHL-UHFFFAOYSA-N 0 3 295.386 3.681 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C)cc1[O-] ZINC000840819124 1123827583 /nfs/dbraw/zinc/82/75/83/1123827583.db2.gz FDJPVAWDBGYCRH-BVUBDWEXSA-N 0 3 259.393 3.930 20 10 CHCDHN CCCCOCCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000119120206 1123831194 /nfs/dbraw/zinc/83/11/94/1123831194.db2.gz BYZYTZSGMVQXIL-HNNXBMFYSA-N 0 3 265.397 3.640 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1[O-] ZINC000763644825 1129150766 /nfs/dbraw/zinc/15/07/66/1129150766.db2.gz ADRZVTADAVHPDK-LLVKDONJSA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC3(CCC3)C[C@H]2C)c1[O-] ZINC000763644825 1129150768 /nfs/dbraw/zinc/15/07/68/1129150768.db2.gz ADRZVTADAVHPDK-LLVKDONJSA-N 0 3 295.810 3.819 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(C)cc1[O-] ZINC000794798639 1123950370 /nfs/dbraw/zinc/95/03/70/1123950370.db2.gz XNKVGSIDHHKRGE-DOTOQJQBSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(C)cc1[O-] ZINC000794798642 1123950390 /nfs/dbraw/zinc/95/03/90/1123950390.db2.gz XNKVGSIDHHKRGE-WBVHZDCISA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]CC1CCC(OC)CC1)c1ccc(C)cc1[O-] ZINC000794802109 1123950436 /nfs/dbraw/zinc/95/04/36/1123950436.db2.gz MTJNADOQNUAQDI-VMBOVVBDSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794805126 1123952356 /nfs/dbraw/zinc/95/23/56/1123952356.db2.gz FWCJAOCFELCBIU-WMZOPIPTSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1ccc(C)cc1[O-] ZINC000794802983 1123953099 /nfs/dbraw/zinc/95/30/99/1123953099.db2.gz PBFLCJPGONMPAG-GDBMZVCRSA-N 0 3 279.424 3.802 20 10 CHCDHN CC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(C)cc1[O-] ZINC000794804584 1123953166 /nfs/dbraw/zinc/95/31/66/1123953166.db2.gz VDWUERMIXLWQSS-HNNXBMFYSA-N 0 3 259.393 3.930 20 10 CHCDHN CC[C@H]([NH2+]Cc1scnc1C)c1ccc(C)cc1[O-] ZINC000794807245 1123953893 /nfs/dbraw/zinc/95/38/93/1123953893.db2.gz LEGCMFSZOYZRQI-ZDUSSCGKSA-N 0 3 276.405 3.706 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000794805612 1123955309 /nfs/dbraw/zinc/95/53/09/1123955309.db2.gz XWHSDGDQYFVWKB-IRXDYDNUSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)c1ccc(C)cc1[O-] ZINC000794806394 1123955314 /nfs/dbraw/zinc/95/53/14/1123955314.db2.gz IGRZQFFERPBBPV-IEBWSBKVSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(C)cc1[O-] ZINC000794810184 1123955946 /nfs/dbraw/zinc/95/59/46/1123955946.db2.gz JSGCBKHVLYGQKX-MRXNPFEDSA-N 0 3 299.418 3.639 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(C)cc1[O-] ZINC000794815566 1123957215 /nfs/dbraw/zinc/95/72/15/1123957215.db2.gz WJYJNXDGDXEEIL-DGCLKSJQSA-N 0 3 269.335 3.929 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(C)nc1)c1ccc(C)cc1[O-] ZINC000794809117 1123957556 /nfs/dbraw/zinc/95/75/56/1123957556.db2.gz QKJSMQBMMSOSIV-KRWDZBQOSA-N 0 3 284.403 3.687 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(C)cc1[O-] ZINC000794819669 1123961496 /nfs/dbraw/zinc/96/14/96/1123961496.db2.gz XDWZSUMFPRDXRM-GOSISDBHSA-N 0 3 297.398 3.972 20 10 CHCDHN CC(C)(C)Oc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000865443285 1123985626 /nfs/dbraw/zinc/98/56/26/1123985626.db2.gz ZWPRBUPZMBOQTO-UHFFFAOYSA-N 0 3 285.387 3.859 20 10 CHCDHN Cc1cc(CNCc2ccc(N(C)C)cc2C)c(C)o1 ZINC000120598321 1123989580 /nfs/dbraw/zinc/98/95/80/1123989580.db2.gz BNQZUPYIRWKRLQ-UHFFFAOYSA-N 0 3 272.392 3.561 20 10 CHCDHN CCOCc1cc(CN[C@@H]2CCCC[C@@H]2F)ccc1OC ZINC000865698728 1124005613 /nfs/dbraw/zinc/00/56/13/1124005613.db2.gz GOBJOTYOSGGWFN-JKSUJKDBSA-N 0 3 295.398 3.602 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c([O-])c1 ZINC000866449745 1124066134 /nfs/dbraw/zinc/06/61/34/1124066134.db2.gz GXMYZSUXQFUHTE-KWCYVHTRSA-N 0 3 251.345 3.632 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)c([O-])c1 ZINC000866449744 1124066965 /nfs/dbraw/zinc/06/69/65/1124066965.db2.gz GXMYZSUXQFUHTE-FPMFFAJLSA-N 0 3 251.345 3.632 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cnc(C)s1)c1ccccc1[O-] ZINC000866456237 1124068470 /nfs/dbraw/zinc/06/84/70/1124068470.db2.gz XMWMNXGOQHCXJF-MFKMUULPSA-N 0 3 276.405 3.959 20 10 CHCDHN C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866480627 1124070793 /nfs/dbraw/zinc/07/07/93/1124070793.db2.gz GNJYAKDBQHCUQL-YOEHRIQHSA-N 0 3 289.419 3.782 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c([O-])c1 ZINC000866529661 1124078495 /nfs/dbraw/zinc/07/84/95/1124078495.db2.gz RJXDFCMBXDFFCP-HUUCEWRRSA-N 0 3 289.419 3.558 20 10 CHCDHN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866623092 1124091062 /nfs/dbraw/zinc/09/10/62/1124091062.db2.gz RYIGPSCHCZOKDR-BBRMVZONSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000866632680 1124091788 /nfs/dbraw/zinc/09/17/88/1124091788.db2.gz BDAJYNPXXVYDTC-DMDPSCGWSA-N 0 3 285.815 3.554 20 10 CHCDHN CC(C)OC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000872114946 1124687155 /nfs/dbraw/zinc/68/71/55/1124687155.db2.gz FGOJBEQQOOSILA-LBPRGKRZSA-N 0 3 281.371 3.530 20 10 CHCDHN Cc1ccc([C@@H](C)N[C@@H](C)c2nccnc2C)c(O)c1C ZINC000872134332 1124692534 /nfs/dbraw/zinc/69/25/34/1124692534.db2.gz RKVKNYSNZZOGPI-OCCSQVGLSA-N 0 3 285.391 3.519 20 10 CHCDHN Cc1n[nH]c(C)c1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000124086020 1124715599 /nfs/dbraw/zinc/71/55/99/1124715599.db2.gz YQOWFOYGSTXUCI-UHFFFAOYSA-N 0 3 299.418 3.677 20 10 CHCDHN Cc1n[nH]c(C)c1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000124086020 1124715606 /nfs/dbraw/zinc/71/56/06/1124715606.db2.gz YQOWFOYGSTXUCI-UHFFFAOYSA-N 0 3 299.418 3.677 20 10 CHCDHN CCCOc1ccc(CN[C@H]2CCCn3nccc32)cc1C ZINC000873152542 1124742596 /nfs/dbraw/zinc/74/25/96/1124742596.db2.gz STOXIEHXYGOXOW-INIZCTEOSA-N 0 3 299.418 3.605 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000873184545 1124746737 /nfs/dbraw/zinc/74/67/37/1124746737.db2.gz DHUGITSTAAYCFN-SNVBAGLBSA-N 0 3 296.292 3.657 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccccc1[O-] ZINC000873236880 1124752437 /nfs/dbraw/zinc/75/24/37/1124752437.db2.gz JYFASCWDWIXKLR-UONOGXRCSA-N 0 3 282.387 3.642 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CNc3ccccc31)CC2 ZINC000873238274 1124755420 /nfs/dbraw/zinc/75/54/20/1124755420.db2.gz YWYXDRDEDIKEOW-WMLDXEAASA-N 0 3 294.398 3.569 20 10 CHCDHN CCC(CC)[C@@H](C[NH2+][C@@H](CC)c1ccccc1[O-])N(C)C ZINC000021036357 1124893574 /nfs/dbraw/zinc/89/35/74/1124893574.db2.gz WHNCVMAIPKREHR-DLBZAZTESA-N 0 3 292.467 3.799 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(OCCC(C)C)CC2)c([O-])c1 ZINC000876620601 1124966214 /nfs/dbraw/zinc/96/62/14/1124966214.db2.gz QGHKPIXYQNDTPW-UHFFFAOYSA-N 0 3 291.435 3.728 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000876884544 1124986737 /nfs/dbraw/zinc/98/67/37/1124986737.db2.gz CNNNMOUKAFHTTQ-QGZVFWFLSA-N 0 3 267.372 3.868 20 10 CHCDHN Cc1cccc(O)c1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000876945614 1124991644 /nfs/dbraw/zinc/99/16/44/1124991644.db2.gz GLKSEFPUONIZKE-TZMCWYRMSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1csc(CCCC[NH2+]Cc2ccc(C)cc2[O-])n1 ZINC000877003167 1124996447 /nfs/dbraw/zinc/99/64/47/1124996447.db2.gz NOXKYXLTBPVPSO-UHFFFAOYSA-N 0 3 290.432 3.578 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c([O-])c1 ZINC000877015006 1124997692 /nfs/dbraw/zinc/99/76/92/1124997692.db2.gz DFTVLGIZFQYARG-INIZCTEOSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1cnc([C@H](NCc2ccc(C)cc2O)C2CC2)s1 ZINC000877064407 1125003045 /nfs/dbraw/zinc/00/30/45/1125003045.db2.gz SGKAFSZQIHZUDB-OAHLLOKOSA-N 0 3 288.416 3.706 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c([O-])c1 ZINC000877133652 1125014201 /nfs/dbraw/zinc/01/42/01/1125014201.db2.gz FUJLSVVXKLLCPK-IEBWSBKVSA-N 0 3 297.398 3.568 20 10 CHCDHN Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C)cc1[O-])CCC2 ZINC000877183099 1125019451 /nfs/dbraw/zinc/01/94/51/1125019451.db2.gz YCARUOWYSDEZQS-ZDUSSCGKSA-N 0 3 288.416 3.633 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)c([O-])c1 ZINC000877376586 1125023557 /nfs/dbraw/zinc/02/35/57/1125023557.db2.gz URMLEXIBIYYMAD-UHFFFAOYSA-N 0 3 277.314 3.928 20 10 CHCDHN CCCCN(Cc1ccns1)Cc1ccccc1O ZINC000877503635 1125037146 /nfs/dbraw/zinc/03/71/46/1125037146.db2.gz RZIALGXENFZSRW-UHFFFAOYSA-N 0 3 276.405 3.651 20 10 CHCDHN C[C@H](C[N@@H+]1Cc2cccc([O-])c2C1)c1ccccc1 ZINC000877702964 1125066522 /nfs/dbraw/zinc/06/65/22/1125066522.db2.gz MLRZJTWCALLCEX-CYBMUJFWSA-N 0 3 253.345 3.512 20 10 CHCDHN C[C@H](C[N@H+]1Cc2cccc([O-])c2C1)c1ccccc1 ZINC000877702964 1125066530 /nfs/dbraw/zinc/06/65/30/1125066530.db2.gz MLRZJTWCALLCEX-CYBMUJFWSA-N 0 3 253.345 3.512 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccc2c1CCC2)c1ccccc1[O-] ZINC000877756012 1125071408 /nfs/dbraw/zinc/07/14/08/1125071408.db2.gz YKEDDOVRXKLTJT-CYBMUJFWSA-N 0 3 267.372 3.732 20 10 CHCDHN COc1cccc(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755626 1125072038 /nfs/dbraw/zinc/07/20/38/1125072038.db2.gz INSIUQSANBNDHY-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN CCc1cccc(F)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755591 1125072049 /nfs/dbraw/zinc/07/20/49/1125072049.db2.gz HLQCISASLILKER-GFCCVEGCSA-N 0 3 273.351 3.945 20 10 CHCDHN CCn1nc(CN[C@H](C)c2ccccc2O)c2ccccc21 ZINC000877755890 1125072869 /nfs/dbraw/zinc/07/28/69/1125072869.db2.gz RDSKURFHDFKSHH-CYBMUJFWSA-N 0 3 295.386 3.613 20 10 CHCDHN CC[C@H](NCc1cccc(C)n1)c1ccc(N(C)C)cc1 ZINC000127264216 1125170728 /nfs/dbraw/zinc/17/07/28/1125170728.db2.gz DQPIVKLXAVVCJV-SFHVURJKSA-N 0 3 283.419 3.697 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(CF)cc1)c1ccccc1[O-] ZINC000879648811 1125222725 /nfs/dbraw/zinc/22/27/25/1125222725.db2.gz APFGJWRLSQIAPO-GFCCVEGCSA-N 0 3 259.324 3.713 20 10 CHCDHN C[C@H]([NH2+]CCCCC1CCOCC1)c1ccccc1[O-] ZINC000879650549 1125224575 /nfs/dbraw/zinc/22/45/75/1125224575.db2.gz GYNSEDKNSUSIRU-AWEZNQCLSA-N 0 3 277.408 3.640 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1[O-] ZINC000228667692 1125250745 /nfs/dbraw/zinc/25/07/45/1125250745.db2.gz DBHQOHCKZFQTJF-MNOVXSKESA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1[O-] ZINC000228667692 1125250751 /nfs/dbraw/zinc/25/07/51/1125250751.db2.gz DBHQOHCKZFQTJF-MNOVXSKESA-N 0 3 283.799 3.675 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000131579987 1125398347 /nfs/dbraw/zinc/39/83/47/1125398347.db2.gz MLUMHDVBAMGOSR-MRXNPFEDSA-N 0 3 253.345 3.729 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000131579987 1125398348 /nfs/dbraw/zinc/39/83/48/1125398348.db2.gz MLUMHDVBAMGOSR-MRXNPFEDSA-N 0 3 253.345 3.729 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2scnc2C)cc1 ZINC000132366527 1125417853 /nfs/dbraw/zinc/41/78/53/1125417853.db2.gz VOGKRIYZDAIPOO-LBPRGKRZSA-N 0 3 289.448 3.758 20 10 CHCDHN CC[C@H](NCc1scnc1C)c1ccc(N(C)C)cc1 ZINC000132427345 1125418495 /nfs/dbraw/zinc/41/84/95/1125418495.db2.gz JDTPNTQNUUCBBC-HNNXBMFYSA-N 0 3 289.448 3.758 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c([O-])c1 ZINC000282855472 1125446044 /nfs/dbraw/zinc/44/60/44/1125446044.db2.gz UJDROZVKIQLNKS-RHSMWYFYSA-N 0 3 289.419 3.701 20 10 CHCDHN C[C@@H]([NH2+]CCCNc1cccc(F)c1)c1ccccc1[O-] ZINC000184462850 1129201538 /nfs/dbraw/zinc/20/15/38/1129201538.db2.gz ZPIJYMANUGRIBP-CYBMUJFWSA-N 0 3 288.366 3.684 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)CC2 ZINC000297211818 1129225085 /nfs/dbraw/zinc/22/50/85/1129225085.db2.gz GRNLYSRGFRLSDI-QWHCGFSZSA-N 0 3 281.346 3.795 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccccc2F)c1 ZINC000037764024 1129266679 /nfs/dbraw/zinc/26/66/79/1129266679.db2.gz AAZYFEFHCYGLKS-NWDGAFQWSA-N 0 3 289.350 3.952 20 10 CHCDHN CCOc1cccc(C[N@H+]([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000092009597 1129377425 /nfs/dbraw/zinc/37/74/25/1129377425.db2.gz ZVIBAUIOOYTHHA-GFCCVEGCSA-N 0 3 275.392 3.554 20 10 CHCDHN CCOc1cccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1[O-] ZINC000092009597 1129377428 /nfs/dbraw/zinc/37/74/28/1129377428.db2.gz ZVIBAUIOOYTHHA-GFCCVEGCSA-N 0 3 275.392 3.554 20 10 CHCDHN CC(C)CCn1cccc1C[NH2+]Cc1ccccc1[O-] ZINC000738430076 1129393691 /nfs/dbraw/zinc/39/36/91/1129393691.db2.gz IMZUKKKRYRPKDW-UHFFFAOYSA-N 0 3 272.392 3.530 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C12CCC2 ZINC000248484962 1129419278 /nfs/dbraw/zinc/41/92/78/1129419278.db2.gz DQXOMZZTRKUNTH-KBRIMQKVSA-N 0 3 289.419 3.699 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c([O-])c1 ZINC000248532673 1129420869 /nfs/dbraw/zinc/42/08/69/1129420869.db2.gz YSCZOSGSBFVGMP-NTCOEUGSSA-N 0 3 293.410 3.937 20 10 CHCDHN CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000094616999 1129448153 /nfs/dbraw/zinc/44/81/53/1129448153.db2.gz IITVNAXMBQVUSZ-BLLLJJGKSA-N 0 3 296.430 3.548 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000094618068 1129448320 /nfs/dbraw/zinc/44/83/20/1129448320.db2.gz VUKXPMSTGKLXQJ-MLGOLLRUSA-N 0 3 285.362 3.739 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1cc(F)ccc1[O-] ZINC000094617297 1129448338 /nfs/dbraw/zinc/44/83/38/1129448338.db2.gz HLCODAGVIVTZCQ-WDEREUQCSA-N 0 3 279.380 3.875 20 10 CHCDHN COc1ccc(C[NH2+]C2CC(c3ccccc3C)C2)c([O-])c1 ZINC000742384401 1129473956 /nfs/dbraw/zinc/47/39/56/1129473956.db2.gz AWVKCTULQKQKGT-UHFFFAOYSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1[O-] ZINC000720901141 1129718297 /nfs/dbraw/zinc/71/82/97/1129718297.db2.gz QENIAZNETBKIEI-GFCCVEGCSA-N 0 3 269.335 3.868 20 10 CHCDHN C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796481214 1129742089 /nfs/dbraw/zinc/74/20/89/1129742089.db2.gz CPDZBNWHUZWOHS-CXAGYDPISA-N 0 3 299.439 3.900 20 10 CHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCc2sccc21 ZINC000767190844 1129780790 /nfs/dbraw/zinc/78/07/90/1129780790.db2.gz PXKUBFCNCXIKKX-ZDUSSCGKSA-N 0 3 289.400 3.630 20 10 CHCDHN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000768131257 1129834495 /nfs/dbraw/zinc/83/44/95/1129834495.db2.gz ZGQTYNDPFPKRJQ-UHFFFAOYSA-N 0 3 272.392 3.594 20 10 CHCDHN CC[N@H+](Cc1ccccc1C)Cc1c([O-])cccc1OC ZINC000768334382 1129851075 /nfs/dbraw/zinc/85/10/75/1129851075.db2.gz GSCMBYGICSPQMQ-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccccc1C)Cc1c([O-])cccc1OC ZINC000768334382 1129851081 /nfs/dbraw/zinc/85/10/81/1129851081.db2.gz GSCMBYGICSPQMQ-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2CC3CCC2CC3)c([O-])c1 ZINC000382067745 1129854884 /nfs/dbraw/zinc/85/48/84/1129854884.db2.gz GVUSFELGDQJPSM-WNZJFKNXSA-N 0 3 289.419 3.705 20 10 CHCDHN Cc1oc2ccccc2c1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000768526079 1129860148 /nfs/dbraw/zinc/86/01/48/1129860148.db2.gz JWWASNCACVDYBU-UHFFFAOYSA-N 0 3 299.345 3.918 20 10 CHCDHN CC[C@@H]1COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000768882132 1129879523 /nfs/dbraw/zinc/87/95/23/1129879523.db2.gz QALPZBCPNMTURP-GOSISDBHSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccccc1[O-] ZINC000800500542 1129881230 /nfs/dbraw/zinc/88/12/30/1129881230.db2.gz FBFSLIYQWCVPJS-CYBMUJFWSA-N 0 3 280.371 3.767 20 10 CHCDHN COc1cccc(O)c1CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000769084669 1129890554 /nfs/dbraw/zinc/89/05/54/1129890554.db2.gz JNCUHEYEHGRQGF-SFHVURJKSA-N 0 3 297.398 3.984 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CCCO1 ZINC000769319137 1129902590 /nfs/dbraw/zinc/90/25/90/1129902590.db2.gz RIVGGOCCWABTDF-OAHLLOKOSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CCCO1 ZINC000769319137 1129902591 /nfs/dbraw/zinc/90/25/91/1129902591.db2.gz RIVGGOCCWABTDF-OAHLLOKOSA-N 0 3 297.398 3.670 20 10 CHCDHN CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC000769482773 1129909299 /nfs/dbraw/zinc/90/92/99/1129909299.db2.gz HYGNJLBSKFSLMM-AWEZNQCLSA-N 0 3 297.398 3.738 20 10 CHCDHN CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC000769482773 1129909301 /nfs/dbraw/zinc/90/93/01/1129909301.db2.gz HYGNJLBSKFSLMM-AWEZNQCLSA-N 0 3 297.398 3.738 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC000769452313 1129911104 /nfs/dbraw/zinc/91/11/04/1129911104.db2.gz WFTWRKAGZIDEEO-KBPBESRZSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC000769452313 1129911107 /nfs/dbraw/zinc/91/11/07/1129911107.db2.gz WFTWRKAGZIDEEO-KBPBESRZSA-N 0 3 277.408 3.801 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1N(C)C ZINC000769686896 1129920365 /nfs/dbraw/zinc/92/03/65/1129920365.db2.gz KKTLOWHXGFVDSU-CQSZACIVSA-N 0 3 296.414 3.538 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000770509648 1129948822 /nfs/dbraw/zinc/94/88/22/1129948822.db2.gz QAAUFCDWNKHPOW-MRXNPFEDSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000770509648 1129948824 /nfs/dbraw/zinc/94/88/24/1129948824.db2.gz QAAUFCDWNKHPOW-MRXNPFEDSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000770739521 1129957742 /nfs/dbraw/zinc/95/77/42/1129957742.db2.gz CRSQIHHETOSGGZ-DOTOQJQBSA-N 0 3 267.372 3.818 20 10 CHCDHN Oc1cc2c(cc1CN1CCc3ccc(F)cc3C1)CCC2 ZINC000771171489 1129973766 /nfs/dbraw/zinc/97/37/66/1129973766.db2.gz OUNDIVXNCAYESX-UHFFFAOYSA-N 0 3 297.373 3.578 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(N(C)C)cc2C)c(C)n1 ZINC000771388900 1129979536 /nfs/dbraw/zinc/97/95/36/1129979536.db2.gz KPQNSONGNPCDCS-HNNXBMFYSA-N 0 3 297.446 3.924 20 10 CHCDHN Cc1ccncc1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000771388964 1129979618 /nfs/dbraw/zinc/97/96/18/1129979618.db2.gz QDRVGEMFXCQVRI-CABCVRRESA-N 0 3 283.419 3.868 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCc2cccc(F)c2C1 ZINC001171004381 1131412259 /nfs/dbraw/zinc/41/22/59/1131412259.db2.gz DBKSUNGGJYLDHW-INIZCTEOSA-N 0 3 299.389 3.911 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2cccc(F)c2C1 ZINC001171004381 1131412261 /nfs/dbraw/zinc/41/22/61/1131412261.db2.gz DBKSUNGGJYLDHW-INIZCTEOSA-N 0 3 299.389 3.911 20 10 CHCDHN C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000802309032 1129991323 /nfs/dbraw/zinc/99/13/23/1129991323.db2.gz MSTRTMKDKNWWCP-UPJWGTAASA-N 0 3 295.398 3.776 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000802309697 1129991484 /nfs/dbraw/zinc/99/14/84/1129991484.db2.gz UERMYHJGAGWOSP-LXTVHRRPSA-N 0 3 277.408 3.637 20 10 CHCDHN C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000802309698 1129991669 /nfs/dbraw/zinc/99/16/69/1129991669.db2.gz UERMYHJGAGWOSP-MCIONIFRSA-N 0 3 277.408 3.637 20 10 CHCDHN CC1(C)C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCS1 ZINC000903281820 1130145138 /nfs/dbraw/zinc/14/51/38/1130145138.db2.gz INEIOACEPDDKKQ-OLZOCXBDSA-N 0 3 277.433 3.643 20 10 CHCDHN CC[C@H]([NH2+]Cc1c(C)cc(CO)cc1C)c1ccccc1[O-] ZINC000903306905 1130149593 /nfs/dbraw/zinc/14/95/93/1130149593.db2.gz CXSBIDJVDATYRO-SFHVURJKSA-N 0 3 299.414 3.742 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc(C)cc1[O-] ZINC000903387059 1130169610 /nfs/dbraw/zinc/16/96/10/1130169610.db2.gz FUBJOUGOWMTRLJ-DOTOQJQBSA-N 0 3 289.419 3.843 20 10 CHCDHN CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](O)c1ccccc1 ZINC000788624890 1130199215 /nfs/dbraw/zinc/19/92/15/1130199215.db2.gz HCUKQVYEZQNOBK-ZOCIIQOWSA-N 0 3 299.414 3.801 20 10 CHCDHN CC1(C)Nc2ccccc2[C@H]1NCc1ccc2c(c1)CCO2 ZINC000903947637 1130211517 /nfs/dbraw/zinc/21/15/17/1130211517.db2.gz DAVITLTXOKTTMY-GOSISDBHSA-N 0 3 294.398 3.657 20 10 CHCDHN CC[C@@H]([NH2+]CCCC1CCOCC1)c1ccccc1[O-] ZINC000790324642 1130306786 /nfs/dbraw/zinc/30/67/86/1130306786.db2.gz LOTRLNAXMNXKQC-MRXNPFEDSA-N 0 3 277.408 3.640 20 10 CHCDHN CC(C)(C)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000790416447 1130313312 /nfs/dbraw/zinc/31/33/12/1130313312.db2.gz PPNOXCDKTONMFC-SFHVURJKSA-N 0 3 299.414 3.792 20 10 CHCDHN CC(C)(C)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000790416447 1130313318 /nfs/dbraw/zinc/31/33/18/1130313318.db2.gz PPNOXCDKTONMFC-SFHVURJKSA-N 0 3 299.414 3.792 20 10 CHCDHN CCOc1cccc(CN2CCc3cc(C)ccc3C2)c1O ZINC000792178428 1130436604 /nfs/dbraw/zinc/43/66/04/1130436604.db2.gz CDQHFZXPGYRUCI-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN Cc1ccnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000792205951 1130439914 /nfs/dbraw/zinc/43/99/14/1130439914.db2.gz CORGORSAMRNICJ-UHFFFAOYSA-N 0 3 297.446 3.867 20 10 CHCDHN C[C@@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792821602 1130500675 /nfs/dbraw/zinc/50/06/75/1130500675.db2.gz YNZSAQPYYOXGTA-LLVKDONJSA-N 0 3 286.341 3.756 20 10 CHCDHN CO[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234992838 1130701725 /nfs/dbraw/zinc/70/17/25/1130701725.db2.gz SEPUBESNDHNNEO-KRWDZBQOSA-N 0 3 297.398 3.670 20 10 CHCDHN CO[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234992838 1130701728 /nfs/dbraw/zinc/70/17/28/1130701728.db2.gz SEPUBESNDHNNEO-KRWDZBQOSA-N 0 3 297.398 3.670 20 10 CHCDHN Cc1ccoc1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000813882618 1130793652 /nfs/dbraw/zinc/79/36/52/1130793652.db2.gz FILWEPABUYIDMC-JQWIXIFHSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccoc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000813882618 1130793657 /nfs/dbraw/zinc/79/36/57/1130793657.db2.gz FILWEPABUYIDMC-JQWIXIFHSA-N 0 3 275.323 3.771 20 10 CHCDHN CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])CC(C)C ZINC000783500518 1130830922 /nfs/dbraw/zinc/83/09/22/1130830922.db2.gz WOXDURGVLCKMOU-HOTGVXAUSA-N 0 3 292.467 3.799 20 10 CHCDHN Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783519903 1130833849 /nfs/dbraw/zinc/83/38/49/1130833849.db2.gz MXRRWDVFRROVKW-STQMWFEESA-N 0 3 256.349 3.507 20 10 CHCDHN C[C@H](N[C@H]1COc2ccc(Cl)cc21)c1ccccc1O ZINC000783518826 1130834399 /nfs/dbraw/zinc/83/43/99/1130834399.db2.gz PBJKIDLPSJJQCH-HZMBPMFUSA-N 0 3 289.762 3.830 20 10 CHCDHN C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000783533089 1130835289 /nfs/dbraw/zinc/83/52/89/1130835289.db2.gz NNOQWGJQUNCRLO-SNVBAGLBSA-N 0 3 295.304 3.703 20 10 CHCDHN COc1ccc(C2(C[NH2+]Cc3ccccc3[O-])CCC2)cc1 ZINC000784653517 1130914777 /nfs/dbraw/zinc/91/47/77/1130914777.db2.gz KBVPOWARVANHQA-UHFFFAOYSA-N 0 3 297.398 3.612 20 10 CHCDHN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000784640494 1130914981 /nfs/dbraw/zinc/91/49/81/1130914981.db2.gz PGSZWINAANMFGH-AUUYWEPGSA-N 0 3 297.398 3.716 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2ccccc2)c([O-])c1 ZINC001236784327 1131006685 /nfs/dbraw/zinc/00/66/85/1131006685.db2.gz UTIOQATTYKHJQS-UHFFFAOYSA-N 0 3 269.388 3.629 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2ccccc2)c([O-])c1 ZINC001236784327 1131006690 /nfs/dbraw/zinc/00/66/90/1131006690.db2.gz UTIOQATTYKHJQS-UHFFFAOYSA-N 0 3 269.388 3.629 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c([O-])c1 ZINC001236783660 1131006737 /nfs/dbraw/zinc/00/67/37/1131006737.db2.gz OASVMKITJSEROW-MRXNPFEDSA-N 0 3 265.372 3.669 20 10 CHCDHN CCc1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)c([O-])c1 ZINC001236783660 1131006741 /nfs/dbraw/zinc/00/67/41/1131006741.db2.gz OASVMKITJSEROW-MRXNPFEDSA-N 0 3 265.372 3.669 20 10 CHCDHN CCC[N@H+](CCc1ccccn1)Cc1ccc(CC)cc1[O-] ZINC001236792296 1131008519 /nfs/dbraw/zinc/00/85/19/1131008519.db2.gz NYHLLAAQRGVBPG-UHFFFAOYSA-N 0 3 298.430 3.804 20 10 CHCDHN CCC[N@@H+](CCc1ccccn1)Cc1ccc(CC)cc1[O-] ZINC001236792296 1131008525 /nfs/dbraw/zinc/00/85/25/1131008525.db2.gz NYHLLAAQRGVBPG-UHFFFAOYSA-N 0 3 298.430 3.804 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2cccc(OC)c2)c([O-])c1 ZINC001236795269 1131008799 /nfs/dbraw/zinc/00/87/99/1131008799.db2.gz SSXAXYJTNFSAGY-UHFFFAOYSA-N 0 3 299.414 3.638 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2cccc(OC)c2)c([O-])c1 ZINC001236795269 1131008806 /nfs/dbraw/zinc/00/88/06/1131008806.db2.gz SSXAXYJTNFSAGY-UHFFFAOYSA-N 0 3 299.414 3.638 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)c([O-])c1 ZINC001236792368 1131009620 /nfs/dbraw/zinc/00/96/20/1131009620.db2.gz QELHBZBLIFPXCJ-SFHVURJKSA-N 0 3 296.414 3.995 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)c([O-])c1 ZINC001236792368 1131009623 /nfs/dbraw/zinc/00/96/23/1131009623.db2.gz QELHBZBLIFPXCJ-SFHVURJKSA-N 0 3 296.414 3.995 20 10 CHCDHN CO[C@@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815619639 1131010010 /nfs/dbraw/zinc/01/00/10/1131010010.db2.gz TXXYXUAQACIEGS-MAUKXSAKSA-N 0 3 299.414 3.691 20 10 CHCDHN CCc1ccc(C[N@H+](C)CC2CCCCC2)c([O-])c1 ZINC001236793557 1131010337 /nfs/dbraw/zinc/01/03/37/1131010337.db2.gz YWOYIOJDHLEGEZ-UHFFFAOYSA-N 0 3 261.409 3.967 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CC2CCCCC2)c([O-])c1 ZINC001236793557 1131010341 /nfs/dbraw/zinc/01/03/41/1131010341.db2.gz YWOYIOJDHLEGEZ-UHFFFAOYSA-N 0 3 261.409 3.967 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)Cc2cccc(C)c2)c([O-])c1 ZINC001236817799 1131013642 /nfs/dbraw/zinc/01/36/42/1131013642.db2.gz HTQKQHRUCKQRCT-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)Cc2cccc(C)c2)c([O-])c1 ZINC001236817799 1131013645 /nfs/dbraw/zinc/01/36/45/1131013645.db2.gz HTQKQHRUCKQRCT-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(C)cc1[O-] ZINC000815642823 1131015451 /nfs/dbraw/zinc/01/54/51/1131015451.db2.gz MXAVUIAAAIAZPP-IUODEOHRSA-N 0 3 286.375 3.603 20 10 CHCDHN C[N@H+](CCC1CC1)Cc1cc2ccccc2cc1[O-] ZINC001236837605 1131018268 /nfs/dbraw/zinc/01/82/68/1131018268.db2.gz QZXHJSWNWGGXEH-UHFFFAOYSA-N 0 3 255.361 3.777 20 10 CHCDHN C[N@@H+](CCC1CC1)Cc1cc2ccccc2cc1[O-] ZINC001236837605 1131018273 /nfs/dbraw/zinc/01/82/73/1131018273.db2.gz QZXHJSWNWGGXEH-UHFFFAOYSA-N 0 3 255.361 3.777 20 10 CHCDHN Oc1cc2ccccc2cc1CN1CCc2occc2C1 ZINC001236834870 1131019633 /nfs/dbraw/zinc/01/96/33/1131019633.db2.gz DSYMDRDEPLJXFN-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN C[N@H+](Cc1cccnc1)Cc1cc2ccccc2cc1[O-] ZINC001236840427 1131020612 /nfs/dbraw/zinc/02/06/12/1131020612.db2.gz OSCNJKSLRSWVPM-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1cccnc1)Cc1cc2ccccc2cc1[O-] ZINC001236840427 1131020618 /nfs/dbraw/zinc/02/06/18/1131020618.db2.gz OSCNJKSLRSWVPM-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN CN(Cc1cccnc1)Cc1cc2ccccc2cc1O ZINC001236840427 1131020624 /nfs/dbraw/zinc/02/06/24/1131020624.db2.gz OSCNJKSLRSWVPM-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN CSC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237050103 1131040317 /nfs/dbraw/zinc/04/03/17/1131040317.db2.gz YFLRYBOMALKJHD-UHFFFAOYSA-N 0 3 279.449 3.843 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)c([O-])c1 ZINC001237044840 1131040375 /nfs/dbraw/zinc/04/03/75/1131040375.db2.gz DYCVPOQZQLHHQQ-SFHVURJKSA-N 0 3 291.435 3.500 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@](C)(CO)CC2)c([O-])c1 ZINC001237044840 1131040381 /nfs/dbraw/zinc/04/03/81/1131040381.db2.gz DYCVPOQZQLHHQQ-SFHVURJKSA-N 0 3 291.435 3.500 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c([O-])c1 ZINC001237046673 1131040726 /nfs/dbraw/zinc/04/07/26/1131040726.db2.gz VIJVXCHODZTHRA-SFHVURJKSA-N 0 3 289.419 3.661 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c([O-])c1 ZINC001237046673 1131040732 /nfs/dbraw/zinc/04/07/32/1131040732.db2.gz VIJVXCHODZTHRA-SFHVURJKSA-N 0 3 289.419 3.661 20 10 CHCDHN CC(C)O[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237055396 1131042710 /nfs/dbraw/zinc/04/27/10/1131042710.db2.gz OBRDQWFKTPOAME-INIZCTEOSA-N 0 3 277.408 3.515 20 10 CHCDHN CC(C)O[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237055396 1131042717 /nfs/dbraw/zinc/04/27/17/1131042717.db2.gz OBRDQWFKTPOAME-INIZCTEOSA-N 0 3 277.408 3.515 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c([O-])c1 ZINC001237051951 1131043306 /nfs/dbraw/zinc/04/33/06/1131043306.db2.gz PNSBNGDZCXIBFF-RDTXWAMCSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c([O-])c1 ZINC001237051951 1131043309 /nfs/dbraw/zinc/04/33/09/1131043309.db2.gz PNSBNGDZCXIBFF-RDTXWAMCSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](CCCCCO)C(C)C)c([O-])c1 ZINC001237054962 1131043677 /nfs/dbraw/zinc/04/36/77/1131043677.db2.gz JTLKPWNYWFVSQT-UHFFFAOYSA-N 0 3 293.451 3.889 20 10 CHCDHN CC(C)c1ccc(C[N@H+](CCCCCO)C(C)C)c([O-])c1 ZINC001237054962 1131043682 /nfs/dbraw/zinc/04/36/82/1131043682.db2.gz JTLKPWNYWFVSQT-UHFFFAOYSA-N 0 3 293.451 3.889 20 10 CHCDHN CCC[NH+](CCC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121148 1131054822 /nfs/dbraw/zinc/05/48/22/1131054822.db2.gz VRDDYLYIROJYRN-UHFFFAOYSA-N 0 3 291.313 3.913 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001237141019 1131057326 /nfs/dbraw/zinc/05/73/26/1131057326.db2.gz RUVASTWBUACSGU-SNVBAGLBSA-N 0 3 291.288 3.593 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001237141019 1131057332 /nfs/dbraw/zinc/05/73/32/1131057332.db2.gz RUVASTWBUACSGU-SNVBAGLBSA-N 0 3 291.288 3.593 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccccc1[O-] ZINC000798938298 1131063751 /nfs/dbraw/zinc/06/37/51/1131063751.db2.gz WIUOMNMBENMJQL-DOTOQJQBSA-N 0 3 291.435 3.622 20 10 CHCDHN CCN(Cc1ccccc1F)Cc1c(C)cccc1O ZINC001237486995 1131103664 /nfs/dbraw/zinc/10/36/64/1131103664.db2.gz FGAJTKDHWRYDOU-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001237490794 1131104274 /nfs/dbraw/zinc/10/42/74/1131104274.db2.gz BHUGETMQHRIDJE-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237490794 1131104276 /nfs/dbraw/zinc/10/42/76/1131104276.db2.gz BHUGETMQHRIDJE-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000799728930 1131105998 /nfs/dbraw/zinc/10/59/98/1131105998.db2.gz GOWSUFYEIJDJSZ-NHULGOKLSA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C ZINC000816649339 1131120754 /nfs/dbraw/zinc/12/07/54/1131120754.db2.gz XQGNQJYCKWRUOH-KBPBESRZSA-N 0 3 267.372 3.899 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C ZINC000816649339 1131120757 /nfs/dbraw/zinc/12/07/57/1131120757.db2.gz XQGNQJYCKWRUOH-KBPBESRZSA-N 0 3 267.372 3.899 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC3CCC2CC3)c1[O-] ZINC001237684330 1131127219 /nfs/dbraw/zinc/12/72/19/1131127219.db2.gz APDTXLJVLRGKMK-UHFFFAOYSA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC3CCC2CC3)c1[O-] ZINC001237684330 1131127220 /nfs/dbraw/zinc/12/72/20/1131127220.db2.gz APDTXLJVLRGKMK-UHFFFAOYSA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C)c1[O-] ZINC001237687603 1131128466 /nfs/dbraw/zinc/12/84/66/1131128466.db2.gz ORRAJBGSLSCWLP-UHFFFAOYSA-N 0 3 255.789 3.832 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C)c1[O-] ZINC001237687603 1131128469 /nfs/dbraw/zinc/12/84/69/1131128469.db2.gz ORRAJBGSLSCWLP-UHFFFAOYSA-N 0 3 255.789 3.832 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)CC23CC3)c1[O-] ZINC001237689761 1131128614 /nfs/dbraw/zinc/12/86/14/1131128614.db2.gz PNIGVETUTKZOBB-SNVBAGLBSA-N 0 3 265.784 3.728 20 10 CHCDHN CC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC001116487776 1131150273 /nfs/dbraw/zinc/15/02/73/1131150273.db2.gz HIIAWIVRBCQMDX-UHFFFAOYSA-N 0 3 253.345 3.701 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC001238065815 1131166791 /nfs/dbraw/zinc/16/67/91/1131166791.db2.gz BJUHSKKXESYRQB-DOMZBBRYSA-N 0 3 263.356 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC001238065815 1131166795 /nfs/dbraw/zinc/16/67/95/1131166795.db2.gz BJUHSKKXESYRQB-DOMZBBRYSA-N 0 3 263.356 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)CCCc2ccccc2)c1[O-] ZINC001238062348 1131167092 /nfs/dbraw/zinc/16/70/92/1131167092.db2.gz OXDZVNCAKUSMBJ-UHFFFAOYSA-N 0 3 287.378 3.904 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)CCCc2ccccc2)c1[O-] ZINC001238062348 1131167093 /nfs/dbraw/zinc/16/70/93/1131167093.db2.gz OXDZVNCAKUSMBJ-UHFFFAOYSA-N 0 3 287.378 3.904 20 10 CHCDHN CC[C@@H]([NH2+]CC1(N)CCCCC1)c1cccc(Cl)c1[O-] ZINC000817938603 1131188076 /nfs/dbraw/zinc/18/80/76/1131188076.db2.gz OFWGSEAZXOXIJD-CQSZACIVSA-N 0 3 296.842 3.748 20 10 CHCDHN CC[C@H]([NH2+]CC(N)(CC)CC)c1cccc(Cl)c1[O-] ZINC000817959696 1131191408 /nfs/dbraw/zinc/19/14/08/1131191408.db2.gz GRTYGHPMEMJUPL-ZDUSSCGKSA-N 0 3 284.831 3.604 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000817981254 1131195153 /nfs/dbraw/zinc/19/51/53/1131195153.db2.gz IAZSZOJTAWVLQH-HUUCEWRRSA-N 0 3 296.842 3.604 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc3c(c1)CCCN3)CC2 ZINC000817978153 1131195200 /nfs/dbraw/zinc/19/52/00/1131195200.db2.gz XJDPPTGSZNWZLH-KRWDZBQOSA-N 0 3 294.398 3.527 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170893785 1131206752 /nfs/dbraw/zinc/20/67/52/1131206752.db2.gz NNAPSFQPUYUENX-CQSZACIVSA-N 0 3 287.790 3.693 20 10 CHCDHN Cc1ccc(Cl)c(CN2CCc3cccc(O)c3C2)c1 ZINC001238569768 1131218453 /nfs/dbraw/zinc/21/84/53/1131218453.db2.gz SGTSVORIANXEME-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CCN(CC)c1ccc(CN(C)Cc2ccncc2C)cc1 ZINC000823390383 1131424699 /nfs/dbraw/zinc/42/46/99/1131424699.db2.gz GHACZORTDWEENK-UHFFFAOYSA-N 0 3 297.446 3.868 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)Cc2ccccc2[O-])c1 ZINC001138101196 1131464141 /nfs/dbraw/zinc/46/41/41/1131464141.db2.gz PVHRLOMVLALHCT-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)Cc2ccccc2[O-])c1 ZINC001138101196 1131464144 /nfs/dbraw/zinc/46/41/44/1131464144.db2.gz PVHRLOMVLALHCT-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCN(Cc1c2ccccc2n(C)c1C)Cc1ccccn1 ZINC001138258016 1131483051 /nfs/dbraw/zinc/48/30/51/1131483051.db2.gz IKXPBWJONRYKHY-UHFFFAOYSA-N 0 3 293.414 3.904 20 10 CHCDHN CCOc1ccc(C[NH2+]C23CCC(CC2)CC3)c([O-])c1 ZINC000824936360 1131489449 /nfs/dbraw/zinc/48/94/49/1131489449.db2.gz XHTUXLASCZAHSZ-UHFFFAOYSA-N 0 3 275.392 3.603 20 10 CHCDHN CCN(CC)c1ccc(CN2CCC[C@@H]3C[C@@H]32)c(OC)c1 ZINC001138391554 1131498409 /nfs/dbraw/zinc/49/84/09/1131498409.db2.gz FYDSYSPDGFDKDS-PBHICJAKSA-N 0 3 288.435 3.526 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001138436346 1131505759 /nfs/dbraw/zinc/50/57/59/1131505759.db2.gz ZJSNEYNPEVTNPD-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001138436346 1131505766 /nfs/dbraw/zinc/50/57/66/1131505766.db2.gz ZJSNEYNPEVTNPD-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN Cc1cccc(Cl)c1CN1CCc2cccc(O)c2C1 ZINC001138721737 1131542035 /nfs/dbraw/zinc/54/20/35/1131542035.db2.gz HRXMVUGPHJYLQA-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CC[N@H+](Cc1ccc(C)c(OC)c1)Cc1ccccc1[O-] ZINC001140160158 1131670489 /nfs/dbraw/zinc/67/04/89/1131670489.db2.gz QGPQRWBWAAEITN-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccc(C)c(OC)c1)Cc1ccccc1[O-] ZINC001140160158 1131670492 /nfs/dbraw/zinc/67/04/92/1131670492.db2.gz QGPQRWBWAAEITN-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2cscc2Cl)c1 ZINC000845972731 1131673638 /nfs/dbraw/zinc/67/36/38/1131673638.db2.gz TWZSIKSQDJCTHB-SECBINFHSA-N 0 3 297.807 3.967 20 10 CHCDHN Cc1ccc(C)c(CN(C)Cc2ccc(Cl)nc2)c1O ZINC001140184536 1131674415 /nfs/dbraw/zinc/67/44/15/1131674415.db2.gz YLGQJDXAFWYODY-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN CC[C@H]([NH2+][C@H](COC)CC(C)(C)C)c1ccccc1[O-] ZINC000845993350 1131679264 /nfs/dbraw/zinc/67/92/64/1131679264.db2.gz YGPOALJTIORNFW-ZFWWWQNUSA-N 0 3 279.424 3.884 20 10 CHCDHN COc1ccc(C)cc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834496497 1131681096 /nfs/dbraw/zinc/68/10/96/1131681096.db2.gz LHFLDGDIHDLSCK-MRXNPFEDSA-N 0 3 297.398 3.529 20 10 CHCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)Cc1cccs1 ZINC000834603233 1131687780 /nfs/dbraw/zinc/68/77/80/1131687780.db2.gz XEGWGRMGZGWWON-IUODEOHRSA-N 0 3 287.428 3.909 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)CC2 ZINC000834640887 1131689932 /nfs/dbraw/zinc/68/99/32/1131689932.db2.gz SAQPWIFGYPBFLC-JKSUJKDBSA-N 0 3 283.346 3.796 20 10 CHCDHN CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000846200622 1131699626 /nfs/dbraw/zinc/69/96/26/1131699626.db2.gz GOWSUFYEIJDJSZ-IKVITTDRSA-N 0 3 293.382 3.627 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(Cc3ccccc3)CC1)CC2 ZINC000834770781 1131704576 /nfs/dbraw/zinc/70/45/76/1131704576.db2.gz XZSSACZJDTWEEQ-INIZCTEOSA-N 0 3 279.383 3.744 20 10 CHCDHN CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])Cc1ccccc1 ZINC000834856650 1131712735 /nfs/dbraw/zinc/71/27/35/1131712735.db2.gz SVIPGLOHAGDMEO-RDJZCZTQSA-N 0 3 299.414 3.609 20 10 CHCDHN CO[C@](C)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834885987 1131718201 /nfs/dbraw/zinc/71/82/01/1131718201.db2.gz ZCRXIGBQSLMVPI-QFBILLFUSA-N 0 3 297.398 3.531 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2cnccc2C)cc1 ZINC000834886296 1131718473 /nfs/dbraw/zinc/71/84/73/1131718473.db2.gz BIWXOMAXVFXOAP-HNNXBMFYSA-N 0 3 283.419 3.697 20 10 CHCDHN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834885860 1131718851 /nfs/dbraw/zinc/71/88/51/1131718851.db2.gz FSEDJXNZFYZVHH-ZLKJLUDKSA-N 0 3 283.799 3.572 20 10 CHCDHN Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834887219 1131719373 /nfs/dbraw/zinc/71/93/73/1131719373.db2.gz QCZGDBMUERYQBT-BXUZGUMPSA-N 0 3 286.350 3.573 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCC(OC(F)F)CC1)CC2 ZINC000834906623 1131727995 /nfs/dbraw/zinc/72/79/95/1131727995.db2.gz YPYFTJDSLZOORY-WXRRBKDZSA-N 0 3 297.345 3.520 20 10 CHCDHN CC[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1[O-] ZINC000834908154 1131730336 /nfs/dbraw/zinc/73/03/36/1131730336.db2.gz HGHVVCMFAUXEDK-ZDUSSCGKSA-N 0 3 269.335 3.868 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000834909129 1131730725 /nfs/dbraw/zinc/73/07/25/1131730725.db2.gz JHSCJEXSVLFWJI-GOEBONIOSA-N 0 3 291.435 3.947 20 10 CHCDHN C[C@H](c1ccncc1)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835046971 1131763446 /nfs/dbraw/zinc/76/34/46/1131763446.db2.gz AZQDGUXOEXAWBV-OGZRUICASA-N 0 3 295.430 3.854 20 10 CHCDHN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCC1(F)F ZINC000835052564 1131767247 /nfs/dbraw/zinc/76/72/47/1131767247.db2.gz HGIPBKOSEGXUTD-ISZGNANSSA-N 0 3 294.389 3.743 20 10 CHCDHN C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])O1 ZINC000835088830 1131771482 /nfs/dbraw/zinc/77/14/82/1131771482.db2.gz VIPOMLSSWNAOCV-KDOFPFPSSA-N 0 3 297.398 3.716 20 10 CHCDHN CC1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140921980 1131963196 /nfs/dbraw/zinc/96/31/96/1131963196.db2.gz YUCNXQSGUFURLV-UHFFFAOYSA-N 0 3 266.816 3.638 20 10 CHCDHN CN(C)c1ccc(CN2CC3CCC2CC3)c(Cl)c1 ZINC001140925239 1131965797 /nfs/dbraw/zinc/96/57/97/1131965797.db2.gz QBAOIXZUVGCLBJ-UHFFFAOYSA-N 0 3 278.827 3.780 20 10 CHCDHN CN(C)c1ccc(CN(C)CCC2CC2)c(Cl)c1 ZINC001140926107 1131966202 /nfs/dbraw/zinc/96/62/02/1131966202.db2.gz ZOFQHRDYHSIYAX-UHFFFAOYSA-N 0 3 266.816 3.638 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccccc1[O-] ZINC000715968418 1132000049 /nfs/dbraw/zinc/00/00/49/1132000049.db2.gz VKPYEYKNWFLKFY-CMPLNLGQSA-N 0 3 262.378 3.651 20 10 CHCDHN Oc1ccc(O)c(CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001141159468 1132030749 /nfs/dbraw/zinc/03/07/49/1132030749.db2.gz GVXIDZIHONNCJZ-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(O)c2[O-])cc1 ZINC001171664075 1132072600 /nfs/dbraw/zinc/07/26/00/1132072600.db2.gz REOZTTWDHGVNJZ-CQSZACIVSA-N 0 3 285.387 3.517 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2ccccc2O)c(Cl)n1 ZINC000838915996 1132157723 /nfs/dbraw/zinc/15/77/23/1132157723.db2.gz DNVNCNJCMZFBKC-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(C3CCC3)CCC2)c([O-])c1 ZINC000839187343 1132189596 /nfs/dbraw/zinc/18/95/96/1132189596.db2.gz VSKNPOYPOZFXKB-UHFFFAOYSA-N 0 3 275.392 3.603 20 10 CHCDHN C[C@@H](O)CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000839530945 1132221142 /nfs/dbraw/zinc/22/11/42/1132221142.db2.gz GLYYFYOYIHLZKV-CVEARBPZSA-N 0 3 299.414 3.726 20 10 CHCDHN C[C@@H](O)CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000839530945 1132221148 /nfs/dbraw/zinc/22/11/48/1132221148.db2.gz GLYYFYOYIHLZKV-CVEARBPZSA-N 0 3 299.414 3.726 20 10 CHCDHN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000840765546 1132285725 /nfs/dbraw/zinc/28/57/25/1132285725.db2.gz WUPADWCTQPIVCE-WCFLWFBJSA-N 0 3 283.799 3.572 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@](C)(OC)C1CC1)c1ccccc1[O-] ZINC000840860506 1132296349 /nfs/dbraw/zinc/29/63/49/1132296349.db2.gz VHOYJMWIYJVNNU-PVUWLOKVSA-N 0 3 277.408 3.637 20 10 CHCDHN COC1([C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000840882702 1132303394 /nfs/dbraw/zinc/30/33/94/1132303394.db2.gz ACNGYGJQJAAFHN-GVXVVHGQSA-N 0 3 293.382 3.627 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@H](C)c1cccnc1 ZINC000840939943 1132312231 /nfs/dbraw/zinc/31/22/31/1132312231.db2.gz RTUGMKBWMSPIOB-OAHLLOKOSA-N 0 3 283.419 3.649 20 10 CHCDHN Cc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC001172835652 1132327530 /nfs/dbraw/zinc/32/75/30/1132327530.db2.gz ONGDMDLTXDGTHJ-PBHICJAKSA-N 0 3 281.399 3.909 20 10 CHCDHN Cc1ccc2c(c1)C[C@H]([N@H+](C)Cc1ccccc1[O-])CC2 ZINC001172840387 1132333251 /nfs/dbraw/zinc/33/32/51/1132333251.db2.gz BFVPHIVMQCBNOQ-GOSISDBHSA-N 0 3 281.399 3.690 20 10 CHCDHN Cc1ccc2c(c1)C[C@H]([N@@H+](C)Cc1ccccc1[O-])CC2 ZINC001172840387 1132333258 /nfs/dbraw/zinc/33/32/58/1132333258.db2.gz BFVPHIVMQCBNOQ-GOSISDBHSA-N 0 3 281.399 3.690 20 10 CHCDHN CCN(Cc1ccccc1)Cc1ccc(N(C)C)cc1OC ZINC001231848466 1132378126 /nfs/dbraw/zinc/37/81/26/1132378126.db2.gz HMLWFRVIVFKTMO-UHFFFAOYSA-N 0 3 298.430 3.783 20 10 CHCDHN Cc1cc(C)c(CN2CCc3c(F)cccc3C2)c(O)c1 ZINC001231846136 1132379413 /nfs/dbraw/zinc/37/94/13/1132379413.db2.gz BXDMQSXRTAXZNK-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c([O-])c1 ZINC000842922911 1132476210 /nfs/dbraw/zinc/47/62/10/1132476210.db2.gz ZEINNIVLROWQKB-MCIONIFRSA-N 0 3 277.408 3.697 20 10 CHCDHN C[C@H]([NH2+]CC1CCC(F)CC1)c1ccccc1[O-] ZINC000842929697 1132478069 /nfs/dbraw/zinc/47/80/69/1132478069.db2.gz RKXXSLZDRNBFDE-HIFPTAJRSA-N 0 3 251.345 3.571 20 10 CHCDHN CN(Cc1cccnc1)Cc1cccc(C(C)(C)C)c1O ZINC001143103725 1132502433 /nfs/dbraw/zinc/50/24/33/1132502433.db2.gz JJCFUXPSBAPANA-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN C[N@H+](Cc1cccc2ncsc21)Cc1ccccc1[O-] ZINC001232736112 1132513022 /nfs/dbraw/zinc/51/30/22/1132513022.db2.gz IZSCWNUSQSRQAS-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN C[N@@H+](Cc1cccc2ncsc21)Cc1ccccc1[O-] ZINC001232736112 1132513028 /nfs/dbraw/zinc/51/30/28/1132513028.db2.gz IZSCWNUSQSRQAS-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)CC(F)F)c1[O-] ZINC000843419578 1132530913 /nfs/dbraw/zinc/53/09/13/1132530913.db2.gz ZBGBDOUOIJSFKV-QMMMGPOBSA-N 0 3 277.742 3.735 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000843424596 1132532374 /nfs/dbraw/zinc/53/23/74/1132532374.db2.gz DCLCELUGPGMHRS-UHFFFAOYSA-N 0 3 289.325 3.839 20 10 CHCDHN Cc1cnccc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001174539300 1132899677 /nfs/dbraw/zinc/89/96/77/1132899677.db2.gz BMOCNOFYKOITLZ-UHFFFAOYSA-N 0 3 289.382 3.729 20 10 CHCDHN C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccc1[O-] ZINC001203556392 1133339069 /nfs/dbraw/zinc/33/90/69/1133339069.db2.gz OPLZZYUNAXWOEI-UHFFFAOYSA-N 0 3 296.414 3.624 20 10 CHCDHN C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccc1[O-] ZINC001203556392 1133339073 /nfs/dbraw/zinc/33/90/73/1133339073.db2.gz OPLZZYUNAXWOEI-UHFFFAOYSA-N 0 3 296.414 3.624 20 10 CHCDHN CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203629990 1133345876 /nfs/dbraw/zinc/34/58/76/1133345876.db2.gz PTLHQNZBOBRMQP-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1[O-] ZINC001203629990 1133345881 /nfs/dbraw/zinc/34/58/81/1133345881.db2.gz PTLHQNZBOBRMQP-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCN(Cc1ccc(N2CCCC2)cc1)Cc1cccnc1 ZINC001204327233 1133438445 /nfs/dbraw/zinc/43/84/45/1133438445.db2.gz MLWMJLWGXZFIIS-UHFFFAOYSA-N 0 3 295.430 3.704 20 10 CHCDHN Cc1ccc(C[NH2+]CCc2nc3ccccc3s2)c([O-])c1 ZINC001205708726 1133604828 /nfs/dbraw/zinc/60/48/28/1133604828.db2.gz HRIWKESFUYSANP-UHFFFAOYSA-N 0 3 298.411 3.643 20 10 CHCDHN Cc1ccc(C[NH2+]C2(C3CCCCC3)CC2)c([O-])c1 ZINC001207758141 1133846575 /nfs/dbraw/zinc/84/65/75/1133846575.db2.gz SXICDDDNDULTEO-UHFFFAOYSA-N 0 3 259.393 3.903 20 10 CHCDHN CC[N@H+](CCCc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001208775973 1133943321 /nfs/dbraw/zinc/94/33/21/1133943321.db2.gz XHWVXGGMTPYZEG-UHFFFAOYSA-N 0 3 287.378 3.986 20 10 CHCDHN CC[N@@H+](CCCc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001208775973 1133943326 /nfs/dbraw/zinc/94/33/26/1133943326.db2.gz XHWVXGGMTPYZEG-UHFFFAOYSA-N 0 3 287.378 3.986 20 10 CHCDHN C[N@H+](Cc1c[nH]c2cc(F)ccc12)Cc1ccccc1[O-] ZINC001209693933 1134052435 /nfs/dbraw/zinc/05/24/35/1134052435.db2.gz FGWQLMMSVKKXSS-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN C[N@@H+](Cc1c[nH]c2cc(F)ccc12)Cc1ccccc1[O-] ZINC001209693933 1134052442 /nfs/dbraw/zinc/05/24/42/1134052442.db2.gz FGWQLMMSVKKXSS-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)c([O-])c1 ZINC000020127993 171013833 /nfs/dbraw/zinc/01/38/33/171013833.db2.gz YNWWYPKVRNJELE-CHWSQXEVSA-N 0 3 256.349 3.507 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3ccccc32)c1 ZINC000020129853 171018664 /nfs/dbraw/zinc/01/86/64/171018664.db2.gz MYPSNNIXSKSHCD-PXAZEXFGSA-N 0 3 283.371 3.739 20 10 CHCDHN CN(C)c1ccc(CN[C@@H]2CCCc3ccccc32)cc1 ZINC000020133399 171021046 /nfs/dbraw/zinc/02/10/46/171021046.db2.gz KSRGIKKXIOEGEM-LJQANCHMSA-N 0 3 280.415 3.920 20 10 CHCDHN C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020144730 171030301 /nfs/dbraw/zinc/03/03/01/171030301.db2.gz XJTOQXRKKKWXJF-CHWSQXEVSA-N 0 3 259.349 3.657 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1[O-] ZINC000020204253 171069795 /nfs/dbraw/zinc/06/97/95/171069795.db2.gz YTLCKFNSHLBJDU-BXUZGUMPSA-N 0 3 257.333 3.713 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1[O-] ZINC000074335941 260165381 /nfs/dbraw/zinc/16/53/81/260165381.db2.gz NUULBERGHCXUQD-KRWDZBQOSA-N 0 3 297.398 3.958 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000158168985 261159748 /nfs/dbraw/zinc/15/97/48/261159748.db2.gz OYSGCKZZGIGBKB-GMBSWORKSA-N 0 3 297.398 3.963 20 10 CHCDHN C[C@@H](NCc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000165486607 261371640 /nfs/dbraw/zinc/37/16/40/261371640.db2.gz JGYBUOVBASXMBF-GFCCVEGCSA-N 0 3 289.810 3.652 20 10 CHCDHN COCc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000184941805 262035011 /nfs/dbraw/zinc/03/50/11/262035011.db2.gz OEDLNXLLFUXCKR-AWEZNQCLSA-N 0 3 285.387 3.698 20 10 CHCDHN CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000185102059 262041150 /nfs/dbraw/zinc/04/11/50/262041150.db2.gz NCKDFIKUZPOZOO-KBXCAEBGSA-N 0 3 285.387 3.739 20 10 CHCDHN CO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185102182 262041465 /nfs/dbraw/zinc/04/14/65/262041465.db2.gz BBQZMUPZEDMHGQ-PXAZEXFGSA-N 0 3 289.350 3.570 20 10 CHCDHN CCOCCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000186155541 262081890 /nfs/dbraw/zinc/08/18/90/262081890.db2.gz YNISFAWPRBAHSP-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN CCOCCC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000186155274 262082005 /nfs/dbraw/zinc/08/20/05/262082005.db2.gz JHWCCNIMYBBJFA-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN COc1cc(F)cc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000186216519 262084566 /nfs/dbraw/zinc/08/45/66/262084566.db2.gz DWHUDZKMSQHOLU-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1cc(F)cc(CN[C@@H](C)c2cc(C)ccc2O)c1 ZINC000186216519 262084567 /nfs/dbraw/zinc/08/45/67/262084567.db2.gz DWHUDZKMSQHOLU-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCCOC(C)C)c([O-])c1 ZINC000186530092 262316238 /nfs/dbraw/zinc/31/62/38/262316238.db2.gz RRLFOEDDCUTMCR-AWEZNQCLSA-N 0 3 265.397 3.556 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1 ZINC000370372736 267313615 /nfs/dbraw/zinc/31/36/15/267313615.db2.gz CYTPNGANDHPGCV-KBXCAEBGSA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)c1 ZINC000370372736 267313616 /nfs/dbraw/zinc/31/36/16/267313616.db2.gz CYTPNGANDHPGCV-KBXCAEBGSA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000185834333 327847298 /nfs/dbraw/zinc/84/72/98/327847298.db2.gz LPTKGYVGNBFFBR-VKJFTORMSA-N 0 3 299.414 3.863 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)c2nccs2)c([O-])c1 ZINC000285128808 328247225 /nfs/dbraw/zinc/24/72/25/328247225.db2.gz LKPJSVROZRMMAZ-STQMWFEESA-N 0 3 290.432 3.920 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1[O-] ZINC000037770032 326861040 /nfs/dbraw/zinc/86/10/40/326861040.db2.gz JGHSCASIJSJKCV-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN CCC[N@H+](Cc1ccnc(C)c1)Cc1ccccc1[O-] ZINC000527535754 330263174 /nfs/dbraw/zinc/26/31/74/330263174.db2.gz SSULHDWTAIAOHA-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1ccnc(C)c1)Cc1ccccc1[O-] ZINC000527535754 330263175 /nfs/dbraw/zinc/26/31/75/330263175.db2.gz SSULHDWTAIAOHA-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000527935765 330298079 /nfs/dbraw/zinc/29/80/79/330298079.db2.gz ZAMULROARGXSMU-HOCLYGCPSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccccc1[O-] ZINC000527963793 330300887 /nfs/dbraw/zinc/30/08/87/330300887.db2.gz PKGGTVASJZQHLZ-INIZCTEOSA-N 0 3 295.386 3.520 20 10 CHCDHN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000527969829 330301616 /nfs/dbraw/zinc/30/16/16/330301616.db2.gz RUWQXENOIGXSBL-FZKQIMNGSA-N 0 3 282.387 3.979 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(C)cc1[O-] ZINC000528008984 330303825 /nfs/dbraw/zinc/30/38/25/330303825.db2.gz UWXLVSPUGDMGAA-IYSBERIVSA-N 0 3 277.408 3.553 20 10 CHCDHN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226583005 333265372 /nfs/dbraw/zinc/26/53/72/333265372.db2.gz NECLQHIGIZYABD-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN CC[C@H]([NH2+]Cc1sc(C)nc1C)c1ccccc1[O-] ZINC000271737218 334746078 /nfs/dbraw/zinc/74/60/78/334746078.db2.gz UKXMZQHRQSDKKT-ZDUSSCGKSA-N 0 3 276.405 3.706 20 10 CHCDHN CC(C)n1ncc2c1[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CCC2 ZINC000364882160 520076477 /nfs/dbraw/zinc/07/64/77/520076477.db2.gz KNAYBMFJKVPRCI-CJNGLKHVSA-N 0 3 299.418 3.898 20 10 CHCDHN CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280224669 520702679 /nfs/dbraw/zinc/70/26/79/520702679.db2.gz UYVYKWDNNNPRMT-HOCLYGCPSA-N 0 3 279.424 3.540 20 10 CHCDHN CCC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](O)c1ccccc1 ZINC000279999931 521169500 /nfs/dbraw/zinc/16/95/00/521169500.db2.gz FXIVTEMKRQUFPM-UCLAIMLFSA-N 0 3 299.414 3.945 20 10 CHCDHN CCN(Cc1cc(C)c(C)cc1O)[C@H](C)c1cccnc1 ZINC000290656207 521286061 /nfs/dbraw/zinc/28/60/61/521286061.db2.gz ZJAIZEKOEOIVQA-OAHLLOKOSA-N 0 3 284.403 3.987 20 10 CHCDHN CC[N@H+](Cc1cc(C)c(C)cc1[O-])[C@H](C)c1cccnc1 ZINC000290656207 521286072 /nfs/dbraw/zinc/28/60/72/521286072.db2.gz ZJAIZEKOEOIVQA-OAHLLOKOSA-N 0 3 284.403 3.987 20 10 CHCDHN CC[N@@H+](Cc1cc(C)c(C)cc1[O-])[C@H](C)c1cccnc1 ZINC000290656207 521286073 /nfs/dbraw/zinc/28/60/73/521286073.db2.gz ZJAIZEKOEOIVQA-OAHLLOKOSA-N 0 3 284.403 3.987 20 10 CHCDHN CCSCC[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297909357 521713726 /nfs/dbraw/zinc/71/37/26/521713726.db2.gz WPELOYYUNPNNMW-YPMHNXCESA-N 0 3 265.422 3.501 20 10 CHCDHN CCc1cnc(CN[C@H](CC)c2ccc(C)cc2O)s1 ZINC000279950041 522041699 /nfs/dbraw/zinc/04/16/99/522041699.db2.gz BTDYPUKYOBDQNJ-CQSZACIVSA-N 0 3 290.432 3.960 20 10 CHCDHN CC[C@H]([NH2+]CCCc1ccccn1)c1ccc(C)cc1[O-] ZINC000280130236 522587261 /nfs/dbraw/zinc/58/72/61/522587261.db2.gz OWVACXFWYLZUAC-KRWDZBQOSA-N 0 3 284.403 3.769 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000280288066 522599835 /nfs/dbraw/zinc/59/98/35/522599835.db2.gz ZATOHAIZAJOIRU-VYDXJSESSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(C)cc1[O-] ZINC000296116684 522703098 /nfs/dbraw/zinc/70/30/98/522703098.db2.gz ZWUGFMTUZQZIAV-BBRMVZONSA-N 0 3 287.407 3.719 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(C)cc1[O-] ZINC000280036855 522716985 /nfs/dbraw/zinc/71/69/85/522716985.db2.gz IOLQICUMMHZGQI-KYHPRHEASA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000290161498 522737114 /nfs/dbraw/zinc/73/71/14/522737114.db2.gz DETHPXILTXEBIK-DKSSEZFCSA-N 0 3 299.414 3.863 20 10 CHCDHN CC[C@@H]([NH2+]CCCOC(C)C)c1ccc(C)cc1[O-] ZINC000280032398 522829338 /nfs/dbraw/zinc/82/93/38/522829338.db2.gz ICZRRSIJHIDDCB-OAHLLOKOSA-N 0 3 265.397 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(C)cc1[O-] ZINC000280099216 522913480 /nfs/dbraw/zinc/91/34/80/522913480.db2.gz MYRYKLNYKRNJKF-XJKSGUPXSA-N 0 3 270.376 3.898 20 10 CHCDHN CCn1cc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000295990669 523475925 /nfs/dbraw/zinc/47/59/25/523475925.db2.gz PMRJKAIDOGCRMI-KBPBESRZSA-N 0 3 287.407 3.637 20 10 CHCDHN COc1ccc(CNCc2ccc(C)s2)cc1C ZINC000048068805 524073074 /nfs/dbraw/zinc/07/30/74/524073074.db2.gz XZQQBXJVHAXNGP-UHFFFAOYSA-N 0 3 261.390 3.663 20 10 CHCDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617666 524092725 /nfs/dbraw/zinc/09/27/25/524092725.db2.gz GSNCQJDQDNJLDY-NEPJUHHUSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1cc(C)c([C@@H](C)NCc2cn3ccccc3n2)c(O)c1 ZINC000293278942 524331826 /nfs/dbraw/zinc/33/18/26/524331826.db2.gz CRYAKCRXYDDMQS-CQSZACIVSA-N 0 3 295.386 3.508 20 10 CHCDHN Cc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000094616896 524439232 /nfs/dbraw/zinc/43/92/32/524439232.db2.gz GCRBGSRUBVPTFJ-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037140276 524525523 /nfs/dbraw/zinc/52/55/23/524525523.db2.gz KVFOKGGRXHSFIB-KBPBESRZSA-N 0 3 285.387 3.770 20 10 CHCDHN COc1ccccc1[C@H](C)NCc1cc(C)ccc1O ZINC000071406335 524779715 /nfs/dbraw/zinc/77/97/15/524779715.db2.gz VYBPOEBXLTVIML-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN Cc1ccc(O)c(CNC(C)(C)c2ccccc2F)c1 ZINC000291659163 525346861 /nfs/dbraw/zinc/34/68/61/525346861.db2.gz DVYGEDRNVOTHOK-UHFFFAOYSA-N 0 3 273.351 3.865 20 10 CHCDHN C[C@@H]([NH2+]CCCOc1ccccc1)c1ccccc1[O-] ZINC000052092010 525441878 /nfs/dbraw/zinc/44/18/78/525441878.db2.gz ZSFWCVROKDXNDA-CQSZACIVSA-N 0 3 271.360 3.512 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccsc1 ZINC000050339194 525446718 /nfs/dbraw/zinc/44/67/18/525446718.db2.gz BFVXUVJZRJMCST-LBPRGKRZSA-N 0 3 260.406 3.665 20 10 CHCDHN C[C@H](NCc1ccsc1)c1ccc(N(C)C)cc1 ZINC000063152436 525474102 /nfs/dbraw/zinc/47/41/02/525474102.db2.gz AZORHGPKZSCQSK-LBPRGKRZSA-N 0 3 260.406 3.665 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1[O-] ZINC000020145317 525529041 /nfs/dbraw/zinc/52/90/41/525529041.db2.gz DCZOBUGCHSDJGN-LLVKDONJSA-N 0 3 293.313 3.844 20 10 CHCDHN CSCc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000189491332 525738700 /nfs/dbraw/zinc/73/87/00/525738700.db2.gz QUDUBKIXGFSDOI-UHFFFAOYSA-N 0 3 273.401 3.545 20 10 CHCDHN Cc1cnc(C2CC[NH+](Cc3ccccc3[O-])CC2)s1 ZINC000277309529 525988122 /nfs/dbraw/zinc/98/81/22/525988122.db2.gz BMWQFJIHQDOIPR-UHFFFAOYSA-N 0 3 288.416 3.537 20 10 CHCDHN COc1cccc(C[NH2+]C(C)(C)c2ccccc2C)c1[O-] ZINC000293051042 526011536 /nfs/dbraw/zinc/01/15/36/526011536.db2.gz RMUWJSWBURMASF-UHFFFAOYSA-N 0 3 285.387 3.734 20 10 CHCDHN COc1cccc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)c1[O-] ZINC000291755412 526020220 /nfs/dbraw/zinc/02/02/20/526020220.db2.gz QSMYXQHJCWSFES-GFCCVEGCSA-N 0 3 299.361 3.706 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000292723662 526351844 /nfs/dbraw/zinc/35/18/44/526351844.db2.gz FPPPHZBFNMMUDI-UHFFFAOYSA-N 0 3 289.325 3.838 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292753937 526374419 /nfs/dbraw/zinc/37/44/19/526374419.db2.gz RMVSPYMRWKXRHG-KOMQPUFPSA-N 0 3 271.335 3.567 20 10 CHCDHN CCO[C@H](CC[NH2+][C@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000185625710 1117859759 /nfs/dbraw/zinc/85/97/59/1117859759.db2.gz NQLAJFCRNSUABY-RHSMWYFYSA-N 0 3 279.424 3.802 20 10 CHCDHN CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877353735 1125024892 /nfs/dbraw/zinc/02/48/92/1125024892.db2.gz UUAKXVJXOJXUOE-LLVKDONJSA-N 0 3 261.287 3.521 20 10 CHCDHN CC[N@H+](Cc1cc(Cl)c([O-])cc1O)C1CCCCC1 ZINC001232259097 1132443956 /nfs/dbraw/zinc/44/39/56/1132443956.db2.gz SDFYJUZLJHEULT-UHFFFAOYSA-N 0 3 283.799 3.906 20 10 CHCDHN CC[N@@H+](Cc1cc(Cl)c([O-])cc1O)C1CCCCC1 ZINC001232259097 1132443963 /nfs/dbraw/zinc/44/39/63/1132443963.db2.gz SDFYJUZLJHEULT-UHFFFAOYSA-N 0 3 283.799 3.906 20 10 CHCDHN COc1ccc(C2([NH2+]Cc3ccccc3[O-])CCCC2)cc1 ZINC000116348254 1125508716 /nfs/dbraw/zinc/50/87/16/1125508716.db2.gz UYQVEHKZZALDIJ-UHFFFAOYSA-N 0 3 297.398 3.960 20 10 CHCDHN C[N@H+](C/C=C/c1ccccc1)Cc1ccccc1[O-] ZINC000220114880 1125699140 /nfs/dbraw/zinc/69/91/40/1125699140.db2.gz SAIXOUIWFJLWOV-JXMROGBWSA-N 0 3 253.345 3.537 20 10 CHCDHN C[N@@H+](C/C=C/c1ccccc1)Cc1ccccc1[O-] ZINC000220114880 1125699144 /nfs/dbraw/zinc/69/91/44/1125699144.db2.gz SAIXOUIWFJLWOV-JXMROGBWSA-N 0 3 253.345 3.537 20 10 CHCDHN Cc1cccc(NC2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000179578759 1126830858 /nfs/dbraw/zinc/83/08/58/1126830858.db2.gz QYRVMJVKRAWFOE-UHFFFAOYSA-N 0 3 296.414 3.777 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)CCC2CCOCC2)c1[O-] ZINC000180380143 1126843150 /nfs/dbraw/zinc/84/31/50/1126843150.db2.gz CAWIRBSYSWDFME-UHFFFAOYSA-N 0 3 297.826 3.603 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCC2CCOCC2)c1[O-] ZINC000180380143 1126843152 /nfs/dbraw/zinc/84/31/52/1126843152.db2.gz CAWIRBSYSWDFME-UHFFFAOYSA-N 0 3 297.826 3.603 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000183475600 1126887961 /nfs/dbraw/zinc/88/79/61/1126887961.db2.gz FVTLYRJLIXAYPS-BBRMVZONSA-N 0 3 283.371 3.957 20 10 CHCDHN CSCc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000189482136 1126932308 /nfs/dbraw/zinc/93/23/08/1126932308.db2.gz MVKJYIOTVXUAOD-UHFFFAOYSA-N 0 3 299.439 3.774 20 10 CHCDHN C[C@@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[O-] ZINC000906594271 1126961155 /nfs/dbraw/zinc/96/11/55/1126961155.db2.gz CTSXMOLYWGBIOE-RLCCDNCMSA-N 0 3 271.335 3.738 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@@H](SC)C(C)(C)C)c([O-])c1 ZINC000784626412 1130913249 /nfs/dbraw/zinc/91/32/49/1130913249.db2.gz SVVPGXIKDCAWJX-OAHLLOKOSA-N 0 3 297.464 3.658 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(Cl)o2)c1 ZINC000698077359 1127039089 /nfs/dbraw/zinc/03/90/89/1127039089.db2.gz ZPEMQEQJLQUENK-SNVBAGLBSA-N 0 3 265.740 3.798 20 10 CHCDHN C[C@H]1c2ccsc2CC[N@H+]1Cc1ccccc1[O-] ZINC000271235795 1127073591 /nfs/dbraw/zinc/07/35/91/1127073591.db2.gz CJMCEKWHJKSWOQ-NSHDSACASA-N 0 3 259.374 3.573 20 10 CHCDHN C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1[O-] ZINC000271235795 1127073594 /nfs/dbraw/zinc/07/35/94/1127073594.db2.gz CJMCEKWHJKSWOQ-NSHDSACASA-N 0 3 259.374 3.573 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCCC(F)(F)CC2)c([O-])c1 ZINC001236783955 1131005651 /nfs/dbraw/zinc/00/56/51/1131005651.db2.gz PWGQDRWXTWMRPW-UHFFFAOYSA-N 0 3 269.335 3.576 20 10 CHCDHN CCc1ccc(C[N@H+]2CCCC(F)(F)CC2)c([O-])c1 ZINC001236783955 1131005658 /nfs/dbraw/zinc/00/56/58/1131005658.db2.gz PWGQDRWXTWMRPW-UHFFFAOYSA-N 0 3 269.335 3.576 20 10 CHCDHN CCc1ccc(C[NH+]2CC3(C2)CCCCC3)c([O-])c1 ZINC001236789670 1131006237 /nfs/dbraw/zinc/00/62/37/1131006237.db2.gz CZCKWWDHNMDVMN-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CCc1ccc(C[NH+]2CCC(C(C)C)CC2)c([O-])c1 ZINC001236791730 1131008753 /nfs/dbraw/zinc/00/87/53/1131008753.db2.gz JCMJRWOSNJSICQ-UHFFFAOYSA-N 0 3 261.409 3.823 20 10 CHCDHN CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271429312 1127080933 /nfs/dbraw/zinc/08/09/33/1127080933.db2.gz AWFGVTZZPMBLSK-IRXDYDNUSA-N 0 3 298.434 3.594 20 10 CHCDHN C[C@]1(CF)CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237135524 1131054081 /nfs/dbraw/zinc/05/40/81/1131054081.db2.gz JGUQVRAZASRHRI-CYBMUJFWSA-N 0 3 291.288 3.593 20 10 CHCDHN C[C@]1(CF)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237135524 1131054086 /nfs/dbraw/zinc/05/40/86/1131054086.db2.gz JGUQVRAZASRHRI-CYBMUJFWSA-N 0 3 291.288 3.593 20 10 CHCDHN C[C@]1(CF)CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237135524 1131054091 /nfs/dbraw/zinc/05/40/91/1131054091.db2.gz JGUQVRAZASRHRI-CYBMUJFWSA-N 0 3 291.288 3.593 20 10 CHCDHN C[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)CCC1(F)F ZINC001237122754 1131057037 /nfs/dbraw/zinc/05/70/37/1131057037.db2.gz XYAKEEMGHFUMEC-MRVPVSSYSA-N 0 3 293.716 3.662 20 10 CHCDHN Oc1ccccc1CNc1ccnc2ccccc21 ZINC000163774891 1127144330 /nfs/dbraw/zinc/14/43/30/1127144330.db2.gz NSGBWVGBOVOZIT-UHFFFAOYSA-N 0 3 250.301 3.553 20 10 CHCDHN Cc1cc(C)c(O)c(CN2Cc3ccccc3C2)c1 ZINC000164299956 1127161129 /nfs/dbraw/zinc/16/11/29/1127161129.db2.gz BYKFXZQTIJMPAI-UHFFFAOYSA-N 0 3 253.345 3.525 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1cncnc1)C1CCCCC1 ZINC000156774342 1127183718 /nfs/dbraw/zinc/18/37/18/1127183718.db2.gz GKGJPOMEERFMKG-UHFFFAOYSA-N 0 3 297.402 3.517 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1cncnc1)C1CCCCC1 ZINC000156774342 1127183719 /nfs/dbraw/zinc/18/37/19/1127183719.db2.gz GKGJPOMEERFMKG-UHFFFAOYSA-N 0 3 297.402 3.517 20 10 CHCDHN C[C@H](CC[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000226589522 1127412645 /nfs/dbraw/zinc/41/26/45/1127412645.db2.gz CDLXQCDKXMUMAR-CYBMUJFWSA-N 0 3 273.351 3.815 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCC2(C)C)c1[O-] ZINC000228675903 1127585799 /nfs/dbraw/zinc/58/57/99/1127585799.db2.gz FBQSLMDYEVTNHK-ZDUSSCGKSA-N 0 3 283.799 3.723 20 10 CHCDHN C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000295059324 1127617270 /nfs/dbraw/zinc/61/72/70/1127617270.db2.gz OCGXQXWBGLLTAJ-AWEZNQCLSA-N 0 3 299.414 3.698 20 10 CHCDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccccc1[O-] ZINC000295021422 1127614157 /nfs/dbraw/zinc/61/41/57/1127614157.db2.gz CHCXHIZSFFOLDW-DMDPSCGWSA-N 0 3 287.325 3.944 20 10 CHCDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1[O-] ZINC000295021422 1127614160 /nfs/dbraw/zinc/61/41/60/1127614160.db2.gz CHCXHIZSFFOLDW-DMDPSCGWSA-N 0 3 287.325 3.944 20 10 CHCDHN CC[C@H](NCc1cc(F)cnc1Cl)c1ccccc1O ZINC000295176977 1127625506 /nfs/dbraw/zinc/62/55/06/1127625506.db2.gz VCZLXVXVRGOEHL-ZDUSSCGKSA-N 0 3 294.757 3.821 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cc(C2CC2)ccc1F ZINC000295188951 1127625872 /nfs/dbraw/zinc/62/58/72/1127625872.db2.gz WYQAHPDQNYPWHG-UHFFFAOYSA-N 0 3 289.325 3.838 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000295992229 1127659532 /nfs/dbraw/zinc/65/95/32/1127659532.db2.gz KHSAIPGEGXVPIF-INIZCTEOSA-N 0 3 289.325 3.838 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000296422997 1127671427 /nfs/dbraw/zinc/67/14/27/1127671427.db2.gz LNVKOIUQONEBCY-DGCLKSJQSA-N 0 3 281.346 3.795 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)CC2 ZINC000296422988 1127671644 /nfs/dbraw/zinc/67/16/44/1127671644.db2.gz LNVKOIUQONEBCY-AAEUAGOBSA-N 0 3 281.346 3.795 20 10 CHCDHN CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000230663510 1127771888 /nfs/dbraw/zinc/77/18/88/1127771888.db2.gz AMZYEYRCACDFGT-PSOPSSQASA-N 0 3 283.412 3.856 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000371870200 1127782792 /nfs/dbraw/zinc/78/27/92/1127782792.db2.gz OCKZUCCVJNIPNW-GUDXXQAFSA-N 0 3 289.419 3.555 20 10 CHCDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C)cc1O)CO2 ZINC000373263969 1127830627 /nfs/dbraw/zinc/83/06/27/1127830627.db2.gz ALZQDANLCCULLR-XJKSGUPXSA-N 0 3 283.371 3.793 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000373344498 1127835563 /nfs/dbraw/zinc/83/55/63/1127835563.db2.gz BAABVPALLSJTMR-KKXDTOCCSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1cccc(C[N@@H+]2CCc3cccc([O-])c3C2)c1C ZINC001205096208 1128136352 /nfs/dbraw/zinc/13/63/52/1128136352.db2.gz XAWQKVGBRBYNFE-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1cccc(C[N@H+]2CCc3cccc([O-])c3C2)c1C ZINC001205096208 1128136354 /nfs/dbraw/zinc/13/63/54/1128136354.db2.gz XAWQKVGBRBYNFE-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1[O-] ZINC000926922539 1128202987 /nfs/dbraw/zinc/20/29/87/1128202987.db2.gz ZTMDGEGCEZGORM-DYVFJYSZSA-N 0 3 297.398 3.957 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC000926946251 1128204426 /nfs/dbraw/zinc/20/44/26/1128204426.db2.gz AOHSJTQRMUSNTM-MVWJERBFSA-N 0 3 273.298 3.631 20 10 CHCDHN CCCCN(Cc1cnc(CC)o1)Cc1ccccc1O ZINC000930352899 1128315528 /nfs/dbraw/zinc/31/55/28/1128315528.db2.gz ZQPDUXRHBFOYFC-UHFFFAOYSA-N 0 3 288.391 3.745 20 10 CHCDHN C[C@H]1[N@H+](Cc2c([O-])ccc3ccccc32)CCOC1(C)C ZINC000763204487 1128376115 /nfs/dbraw/zinc/37/61/15/1128376115.db2.gz KPOVTLAWKUMORN-CYBMUJFWSA-N 0 3 285.387 3.545 20 10 CHCDHN C[C@H]1[N@@H+](Cc2c([O-])ccc3ccccc32)CCOC1(C)C ZINC000763204487 1128376119 /nfs/dbraw/zinc/37/61/19/1128376119.db2.gz KPOVTLAWKUMORN-CYBMUJFWSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@@H]([NH2+]CCOc1ccccc1)c1ccccc1[O-] ZINC000042895507 1128589387 /nfs/dbraw/zinc/58/93/87/1128589387.db2.gz ZRFYWCGCCQFETD-MRXNPFEDSA-N 0 3 271.360 3.512 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000778998924 1128675329 /nfs/dbraw/zinc/67/53/29/1128675329.db2.gz FNCFFEWHLGLSCY-ZAQWFSBCSA-N 0 3 275.367 3.542 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000778998924 1128675330 /nfs/dbraw/zinc/67/53/30/1128675330.db2.gz FNCFFEWHLGLSCY-ZAQWFSBCSA-N 0 3 275.367 3.542 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000779014951 1128679479 /nfs/dbraw/zinc/67/94/79/1128679479.db2.gz MMJKWKSVMJBVHO-CYBMUJFWSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000779014951 1128679480 /nfs/dbraw/zinc/67/94/80/1128679480.db2.gz MMJKWKSVMJBVHO-CYBMUJFWSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000134226401 1128706083 /nfs/dbraw/zinc/70/60/83/1128706083.db2.gz HSRIQNVMMCTUKQ-CQSZACIVSA-N 0 3 289.375 3.858 20 10 CHCDHN CCN(CC)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000134226727 1128705942 /nfs/dbraw/zinc/70/59/42/1128705942.db2.gz XSYSHDLZRVRSKD-UHFFFAOYSA-N 0 3 284.403 3.528 20 10 CHCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1cccs1 ZINC000779077362 1128721477 /nfs/dbraw/zinc/72/14/77/1128721477.db2.gz GWDBRCZNCPUACL-UHFFFAOYSA-N 0 3 265.353 3.618 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c(C)c1 ZINC000185066852 1117759706 /nfs/dbraw/zinc/75/97/06/1117759706.db2.gz IAAFPWXNFMUXMS-CYBMUJFWSA-N 0 3 273.351 3.999 20 10 CHCDHN Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000185402996 1117819382 /nfs/dbraw/zinc/81/93/82/1117819382.db2.gz CEYNUSBTNOGAHU-LLVKDONJSA-N 0 3 290.432 3.667 20 10 CHCDHN C[C@H]([NH2+]CCCNc1ccccc1)c1cc(F)ccc1[O-] ZINC000185489582 1117829021 /nfs/dbraw/zinc/82/90/21/1117829021.db2.gz GNSUMTYSJDWQQL-ZDUSSCGKSA-N 0 3 288.366 3.684 20 10 CHCDHN CC[C@H]([NH2+]CCSC(F)(F)F)c1ccccc1[O-] ZINC000186121328 1118003158 /nfs/dbraw/zinc/00/31/58/1118003158.db2.gz VZPUFWRHZJIGSS-JTQLQIEISA-N 0 3 279.327 3.686 20 10 CHCDHN CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000036994322 1117954577 /nfs/dbraw/zinc/95/45/77/1117954577.db2.gz HJQMPFUOFSCMAA-GFCCVEGCSA-N 0 3 273.401 3.965 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Oc1ccccc1 ZINC000186041256 1117974119 /nfs/dbraw/zinc/97/41/19/1117974119.db2.gz SUEZFCDEPYAQKV-OLZOCXBDSA-N 0 3 289.350 3.649 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000179581029 1128749265 /nfs/dbraw/zinc/74/92/65/1128749265.db2.gz FXQOCLQKZQZNFB-UHFFFAOYSA-N 0 3 277.433 3.644 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000179581029 1128749267 /nfs/dbraw/zinc/74/92/67/1128749267.db2.gz FXQOCLQKZQZNFB-UHFFFAOYSA-N 0 3 277.433 3.644 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000779151923 1128752160 /nfs/dbraw/zinc/75/21/60/1128752160.db2.gz ZJUDQMNKDHYJEI-UHFFFAOYSA-N 0 3 296.414 3.672 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000039152008 1118124922 /nfs/dbraw/zinc/12/49/22/1118124922.db2.gz DRFYWBXOVUIBRS-IUODEOHRSA-N 0 3 253.345 3.730 20 10 CHCDHN COc1ccccc1C1(N[C@@H](C)c2ccccc2O)CC1 ZINC000842902245 1118163391 /nfs/dbraw/zinc/16/33/91/1118163391.db2.gz MPWLOSNYVCNKQZ-ZDUSSCGKSA-N 0 3 283.371 3.741 20 10 CHCDHN COc1ccccc1C1([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000842902245 1118163394 /nfs/dbraw/zinc/16/33/94/1118163394.db2.gz MPWLOSNYVCNKQZ-ZDUSSCGKSA-N 0 3 283.371 3.741 20 10 CHCDHN Cc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000179877653 1128765099 /nfs/dbraw/zinc/76/50/99/1128765099.db2.gz GYKSTNHOMAUSNY-AWEZNQCLSA-N 0 3 255.361 3.594 20 10 CHCDHN COc1ccc([C@H](C)[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000179910250 1128765916 /nfs/dbraw/zinc/76/59/16/1128765916.db2.gz GATLHGGQSMOWPC-LBPRGKRZSA-N 0 3 289.350 3.733 20 10 CHCDHN COc1ccc([C@H](C)[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000179910250 1128765920 /nfs/dbraw/zinc/76/59/20/1128765920.db2.gz GATLHGGQSMOWPC-LBPRGKRZSA-N 0 3 289.350 3.733 20 10 CHCDHN COc1ccc(CC(C)(C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000189455945 1128773631 /nfs/dbraw/zinc/77/36/31/1128773631.db2.gz UDHJCKCMMRWAAG-UHFFFAOYSA-N 0 3 285.387 3.512 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001203556533 1118386773 /nfs/dbraw/zinc/38/67/73/1118386773.db2.gz RQBKAHSQUAGNFU-UHFFFAOYSA-N 0 3 299.389 3.986 20 10 CHCDHN CCc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000295826744 1118549223 /nfs/dbraw/zinc/54/92/23/1118549223.db2.gz DSSKZJSYICRQIX-CQSZACIVSA-N 0 3 273.401 3.793 20 10 CHCDHN CSCC1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000296335478 1118575342 /nfs/dbraw/zinc/57/53/42/1118575342.db2.gz HNXKBHXAUUGBHZ-IYXRBSQSSA-N 0 3 279.449 3.965 20 10 CHCDHN COc1ccccc1C(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180617234 1128800308 /nfs/dbraw/zinc/80/03/08/1128800308.db2.gz UNIRUCMRZNPTDY-UHFFFAOYSA-N 0 3 289.350 3.565 20 10 CHCDHN CC[C@H](NCc1cc(OC)ccc1O)c1ccccc1F ZINC000180900453 1128818742 /nfs/dbraw/zinc/81/87/42/1128818742.db2.gz NQFKHELCIKWRIC-INIZCTEOSA-N 0 3 289.350 3.781 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCC2SCCS2)c([O-])c1 ZINC000693775493 1119333585 /nfs/dbraw/zinc/33/35/85/1119333585.db2.gz DYTRISRYOLNZJQ-LLVKDONJSA-N 0 3 283.462 3.547 20 10 CHCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000179580489 1119751620 /nfs/dbraw/zinc/75/16/20/1119751620.db2.gz XEHIIQGXXJSQSB-RHSMWYFYSA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000179580489 1119751623 /nfs/dbraw/zinc/75/16/23/1119751623.db2.gz XEHIIQGXXJSQSB-RHSMWYFYSA-N 0 3 267.372 3.770 20 10 CHCDHN CCC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1[O-] ZINC000179745382 1119759141 /nfs/dbraw/zinc/75/91/41/1119759141.db2.gz WXUKJXWZIZENNN-UHFFFAOYSA-N 0 3 287.407 3.582 20 10 CHCDHN CCC[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1[O-] ZINC000179745382 1119759143 /nfs/dbraw/zinc/75/91/43/1119759143.db2.gz WXUKJXWZIZENNN-UHFFFAOYSA-N 0 3 287.407 3.582 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccccc1[O-] ZINC000695066083 1120100655 /nfs/dbraw/zinc/10/06/55/1120100655.db2.gz MWTCILQVVPLUTA-MNOVXSKESA-N 0 3 255.308 3.621 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC3CCC2CC3)c([O-])c1 ZINC000311858321 1120113627 /nfs/dbraw/zinc/11/36/27/1120113627.db2.gz JZWCFEQPSUPJAP-USPMSXPRSA-N 0 3 259.393 3.930 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892792241 1120142581 /nfs/dbraw/zinc/14/25/81/1120142581.db2.gz SBRZJWBLXBPAMR-UHFFFAOYSA-N 0 3 289.325 3.706 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3ccccc3C1)CC2 ZINC000314450152 1120210484 /nfs/dbraw/zinc/21/04/84/1120210484.db2.gz DOEXVVPKXARMAS-DLBZAZTESA-N 0 3 279.383 3.527 20 10 CHCDHN CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2[O-])c1 ZINC000179577451 1120250442 /nfs/dbraw/zinc/25/04/42/1120250442.db2.gz FROFYSOOXBEHHE-GOSISDBHSA-N 0 3 296.414 3.795 20 10 CHCDHN CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccccc2[O-])c1 ZINC000179577451 1120250444 /nfs/dbraw/zinc/25/04/44/1120250444.db2.gz FROFYSOOXBEHHE-GOSISDBHSA-N 0 3 296.414 3.795 20 10 CHCDHN c1cncc([C@@H](NCc2ccc3c(c2)CCCO3)C2CC2)c1 ZINC000921939451 1120293959 /nfs/dbraw/zinc/29/39/59/1120293959.db2.gz BMRFLMAJTGZWJJ-IBGZPJMESA-N 0 3 294.398 3.648 20 10 CHCDHN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000092327735 1120356586 /nfs/dbraw/zinc/35/65/86/1120356586.db2.gz GBFHXWGIOKBZDM-MNOVXSKESA-N 0 3 274.364 3.717 20 10 CHCDHN C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1cc(F)ccc1[O-] ZINC000185633948 1120380210 /nfs/dbraw/zinc/38/02/10/1120380210.db2.gz RIRZSVSJHCDEPU-SNVBAGLBSA-N 0 3 295.304 3.703 20 10 CHCDHN Cc1cnc(Cl)c(CN[C@@H](C)c2ccccc2O)c1 ZINC000922328276 1120515422 /nfs/dbraw/zinc/51/54/22/1120515422.db2.gz ALIUWBRUOUSKTC-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN C[N@H+](Cc1ccc(OCC2CC2)cc1)Cc1ccccc1[O-] ZINC000191253471 1120518264 /nfs/dbraw/zinc/51/82/64/1120518264.db2.gz MXBSUDPEBZSNMM-UHFFFAOYSA-N 0 3 297.398 3.813 20 10 CHCDHN C[N@@H+](Cc1ccc(OCC2CC2)cc1)Cc1ccccc1[O-] ZINC000191253471 1120518269 /nfs/dbraw/zinc/51/82/69/1120518269.db2.gz MXBSUDPEBZSNMM-UHFFFAOYSA-N 0 3 297.398 3.813 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2Cl)c1 ZINC000019908280 1120544455 /nfs/dbraw/zinc/54/44/55/1120544455.db2.gz RZZNJYDVSGJLCI-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccccc1[O-] ZINC000019962601 1120553608 /nfs/dbraw/zinc/55/36/08/1120553608.db2.gz FBRZEGQRBREKRX-MRXNPFEDSA-N 0 3 255.361 3.942 20 10 CHCDHN C=Cn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000193932712 1120587283 /nfs/dbraw/zinc/58/72/83/1120587283.db2.gz DZHXINMYEZVCBF-UHFFFAOYSA-N 0 3 297.402 3.634 20 10 CHCDHN C=Cn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000193932712 1120587290 /nfs/dbraw/zinc/58/72/90/1120587290.db2.gz DZHXINMYEZVCBF-UHFFFAOYSA-N 0 3 297.402 3.634 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000229052315 1120594567 /nfs/dbraw/zinc/59/45/67/1120594567.db2.gz VQVWJFITFULGKA-UHIISALHSA-N 0 3 297.826 3.969 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282433103 1120661165 /nfs/dbraw/zinc/66/11/65/1120661165.db2.gz DIFXBECJSGXGDL-YOEHRIQHSA-N 0 3 289.419 3.701 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccoc1 ZINC000766028064 1120669653 /nfs/dbraw/zinc/66/96/53/1120669653.db2.gz CYALQZUQMHIILI-ZDUSSCGKSA-N 0 3 258.365 3.505 20 10 CHCDHN CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000186903303 1120691059 /nfs/dbraw/zinc/69/10/59/1120691059.db2.gz JVGAMFFDTDPHHF-VIFPVBQESA-N 0 3 272.186 3.524 20 10 CHCDHN CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000186903320 1120691382 /nfs/dbraw/zinc/69/13/82/1120691382.db2.gz JVGAMFFDTDPHHF-SECBINFHSA-N 0 3 272.186 3.524 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2C)c([O-])c1 ZINC000094182845 1120980372 /nfs/dbraw/zinc/98/03/72/1120980372.db2.gz ZOILZAWCGDDQGZ-OAHLLOKOSA-N 0 3 269.388 3.902 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](OC)C1CCCC1)c1ccccc1[O-] ZINC000703128691 1121236323 /nfs/dbraw/zinc/23/63/23/1121236323.db2.gz PDWOULSTTKCVPD-WBVHZDCISA-N 0 3 277.408 3.638 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2C3CCCC2CCC3)c1[O-] ZINC000707159405 1121450452 /nfs/dbraw/zinc/45/04/52/1121450452.db2.gz FZHNSRNVOKHNNT-UHFFFAOYSA-N 0 3 295.810 3.961 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccccc1[O-] ZINC000709662005 1121468732 /nfs/dbraw/zinc/46/87/32/1121468732.db2.gz HGBKLWSGVCRMPH-QWHCGFSZSA-N 0 3 277.408 3.637 20 10 CHCDHN COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC001179489519 1121882799 /nfs/dbraw/zinc/88/27/99/1121882799.db2.gz RTBHRJYTXZZDMD-CZUORRHYSA-N 0 3 297.398 3.609 20 10 CHCDHN CC(C)[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732818175 1121939180 /nfs/dbraw/zinc/93/91/80/1121939180.db2.gz ZKVXUEDWBTXQTM-LJQANCHMSA-N 0 3 299.414 3.556 20 10 CHCDHN Cc1ccc(C[N@H+](C2CC2)C2CCCCC2)c([O-])c1 ZINC001180064219 1121945496 /nfs/dbraw/zinc/94/54/96/1121945496.db2.gz DASWVQHSHBMDRV-UHFFFAOYSA-N 0 3 259.393 3.998 20 10 CHCDHN Cc1ccc(C[N@@H+](C2CC2)C2CCCCC2)c([O-])c1 ZINC001180064219 1121945499 /nfs/dbraw/zinc/94/54/99/1121945499.db2.gz DASWVQHSHBMDRV-UHFFFAOYSA-N 0 3 259.393 3.998 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001204277265 1122008511 /nfs/dbraw/zinc/00/85/11/1122008511.db2.gz XMLXTRAEDYJVPL-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001204277265 1122008517 /nfs/dbraw/zinc/00/85/17/1122008517.db2.gz XMLXTRAEDYJVPL-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN CN(C)c1cc(F)c(CN2CCC[C@H](C3CC3)C2)cc1F ZINC001182184784 1122117497 /nfs/dbraw/zinc/11/74/97/1122117497.db2.gz UPGFFRFPBHMXCZ-ZDUSSCGKSA-N 0 3 294.389 3.653 20 10 CHCDHN CCc1cccc(C[NH2+]Cc2c(C)cc(OC)cc2[O-])c1 ZINC001182684126 1122182625 /nfs/dbraw/zinc/18/26/25/1122182625.db2.gz KENSIIJGNLEBGN-UHFFFAOYSA-N 0 3 285.387 3.561 20 10 CHCDHN Cc1ccn2cc(CN[C@@H](C)c3cc(C)ccc3O)nc2c1 ZINC000273366822 1122230848 /nfs/dbraw/zinc/23/08/48/1122230848.db2.gz BRJQXQNQICYWSW-AWEZNQCLSA-N 0 3 295.386 3.508 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)c([O-])c1 ZINC001184351655 1122272759 /nfs/dbraw/zinc/27/27/59/1122272759.db2.gz RIWXNDVSDIRZJI-LJQANCHMSA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)c([O-])c1 ZINC001184351655 1122272763 /nfs/dbraw/zinc/27/27/63/1122272763.db2.gz RIWXNDVSDIRZJI-LJQANCHMSA-N 0 3 297.398 3.664 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1ccccc1[O-] ZINC000183331091 1129045366 /nfs/dbraw/zinc/04/53/66/1129045366.db2.gz LCFWQVUSXNLTNU-OAHLLOKOSA-N 0 3 289.350 3.781 20 10 CHCDHN C[C@H](NCc1cccc(F)c1F)c1ccccc1O ZINC000775130824 1122432664 /nfs/dbraw/zinc/43/26/64/1122432664.db2.gz PGDCETMGKZWJGH-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN Cc1cc(C)cc(OCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000775136620 1122437355 /nfs/dbraw/zinc/43/73/55/1122437355.db2.gz LZGLYODUGQNHOA-OAHLLOKOSA-N 0 3 285.387 3.739 20 10 CHCDHN COc1cccc(O)c1CN(C)Cc1cc(C)cc(C)c1 ZINC000775152741 1122446041 /nfs/dbraw/zinc/44/60/41/1122446041.db2.gz RWZUYLLNECCRJI-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000775152741 1122446046 /nfs/dbraw/zinc/44/60/46/1122446046.db2.gz RWZUYLLNECCRJI-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000775152741 1122446049 /nfs/dbraw/zinc/44/60/49/1122446049.db2.gz RWZUYLLNECCRJI-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000183467995 1129056857 /nfs/dbraw/zinc/05/68/57/1129056857.db2.gz AVRFXKXFWHGBBT-YJBOKZPZSA-N 0 3 298.430 3.654 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)Cc1ccccc1 ZINC000183506609 1129058423 /nfs/dbraw/zinc/05/84/23/1129058423.db2.gz JRMVWLVLLHTXJL-CVEARBPZSA-N 0 3 298.430 3.563 20 10 CHCDHN C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccccc1[O-] ZINC000183523987 1129060817 /nfs/dbraw/zinc/06/08/17/1129060817.db2.gz AAVPGDMJVIOQGA-CYBMUJFWSA-N 0 3 285.362 3.914 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccccc1[O-] ZINC000183531637 1129061562 /nfs/dbraw/zinc/06/15/62/1129061562.db2.gz ISXQVXIEVWROQI-QWHCGFSZSA-N 0 3 275.417 3.983 20 10 CHCDHN CC[C@H]([NH2+]C1CCN(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775484699 1122616964 /nfs/dbraw/zinc/61/69/64/1122616964.db2.gz HNQAKHWIJAISKN-HNNXBMFYSA-N 0 3 296.842 3.571 20 10 CHCDHN CC[C@@H]([NH2+]CCN1CCCC[C@@H]1CC)c1ccccc1[O-] ZINC000775504088 1122630871 /nfs/dbraw/zinc/63/08/71/1122630871.db2.gz SCHKSXLEZPJRMR-DOTOQJQBSA-N 0 3 290.451 3.697 20 10 CHCDHN CC[C@@H](N[C@H](C)c1nc(C)cs1)c1ccccc1O ZINC000080274520 1129080111 /nfs/dbraw/zinc/08/01/11/1129080111.db2.gz KQAWFOGNMUGMMF-DGCLKSJQSA-N 0 3 276.405 3.959 20 10 CHCDHN COc1ccc(O)c(CN2CCc3sccc3[C@H]2C)c1 ZINC000775647672 1122862023 /nfs/dbraw/zinc/86/20/23/1122862023.db2.gz XWTQYEGNPKIIPW-LLVKDONJSA-N 0 3 289.400 3.582 20 10 CHCDHN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000776012511 1123036281 /nfs/dbraw/zinc/03/62/81/1123036281.db2.gz HFNQRRYJXWAIKQ-SKDRFNHKSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000776012511 1123036284 /nfs/dbraw/zinc/03/62/84/1123036284.db2.gz HFNQRRYJXWAIKQ-SKDRFNHKSA-N 0 3 291.288 3.694 20 10 CHCDHN CN(C)c1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000284064535 1123145712 /nfs/dbraw/zinc/14/57/12/1123145712.db2.gz LALJAZUUMSPHBA-IBGZPJMESA-N 0 3 296.414 3.625 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000134225867 1123159166 /nfs/dbraw/zinc/15/91/66/1123159166.db2.gz WQBCPDNHGMVDTL-HNNXBMFYSA-N 0 3 259.374 3.695 20 10 CHCDHN CC[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccccc1[O-] ZINC000895134423 1123248674 /nfs/dbraw/zinc/24/86/74/1123248674.db2.gz XNQDEZTWUNOWQG-NSWWBONSSA-N 0 3 289.419 3.781 20 10 CHCDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000850388243 1123262029 /nfs/dbraw/zinc/26/20/29/1123262029.db2.gz KDEZOSHSZHXXNP-JKSUJKDBSA-N 0 3 289.419 3.608 20 10 CHCDHN CSCC1(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000850505903 1123276368 /nfs/dbraw/zinc/27/63/68/1123276368.db2.gz CQDWDULTTQGCGC-NSHDSACASA-N 0 3 283.412 3.715 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)c1[O-] ZINC000850523803 1123279931 /nfs/dbraw/zinc/27/99/31/1123279931.db2.gz POSWUSCFRWMVEB-DGCLKSJQSA-N 0 3 295.810 3.716 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccccc1[O-] ZINC000850530243 1123284816 /nfs/dbraw/zinc/28/48/16/1123284816.db2.gz XTTKWQMIMRVCPM-LZLYRXPVSA-N 0 3 283.371 3.611 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccccc1[O-] ZINC000850536002 1123286849 /nfs/dbraw/zinc/28/68/49/1123286849.db2.gz GNKSCTXIHZZZAC-OCCSQVGLSA-N 0 3 269.335 3.868 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c([O-])c1 ZINC000850553587 1123289910 /nfs/dbraw/zinc/28/99/10/1123289910.db2.gz ZEXGILRLJMNFKZ-MFKMUULPSA-N 0 3 269.335 3.643 20 10 CHCDHN CC[C@H]([NH2+]CC1SCCS1)c1ccc(C)cc1[O-] ZINC000850559995 1123291837 /nfs/dbraw/zinc/29/18/37/1123291837.db2.gz HUCVBTZZDBLEBR-LBPRGKRZSA-N 0 3 283.462 3.547 20 10 CHCDHN CO[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C1CCCCC1 ZINC000850569595 1123294311 /nfs/dbraw/zinc/29/43/11/1123294311.db2.gz KADRQYCTMDRBRO-DOTOQJQBSA-N 0 3 289.419 3.564 20 10 CHCDHN CCCCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783509875 1123401145 /nfs/dbraw/zinc/40/11/45/1123401145.db2.gz VHMLXFCEYFXTER-JKSUJKDBSA-N 0 3 290.451 3.697 20 10 CHCDHN C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccccc1[O-] ZINC000853242737 1123429919 /nfs/dbraw/zinc/42/99/19/1123429919.db2.gz RRQQRVWKIOKQLD-SNVBAGLBSA-N 0 3 296.292 3.657 20 10 CHCDHN CC(C)(CCc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000111387431 1123442504 /nfs/dbraw/zinc/44/25/04/1123442504.db2.gz BTSGVXLGPWWZMF-UHFFFAOYSA-N 0 3 269.388 3.893 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)c([O-])c1 ZINC000854226894 1123478180 /nfs/dbraw/zinc/47/81/80/1123478180.db2.gz SBDJWBSGYQDJMN-YVEFUNNKSA-N 0 3 282.387 3.621 20 10 CHCDHN CC(C)(NCc1cc(F)ccc1O)c1ccc(F)cc1F ZINC000895854860 1123522386 /nfs/dbraw/zinc/52/23/86/1123522386.db2.gz PTGOIQJYGZLDTE-UHFFFAOYSA-N 0 3 295.304 3.834 20 10 CHCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000895854860 1123522388 /nfs/dbraw/zinc/52/23/88/1123522388.db2.gz PTGOIQJYGZLDTE-UHFFFAOYSA-N 0 3 295.304 3.834 20 10 CHCDHN Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000895852142 1123522902 /nfs/dbraw/zinc/52/29/02/1123522902.db2.gz PURQQHKAKYGPCC-LBPRGKRZSA-N 0 3 287.407 3.637 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000858308310 1123642370 /nfs/dbraw/zinc/64/23/70/1123642370.db2.gz XPDIJKGXISKMHY-UHFFFAOYSA-N 0 3 273.298 3.605 20 10 CHCDHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccns1 ZINC000858318081 1123644218 /nfs/dbraw/zinc/64/42/18/1123644218.db2.gz LIOXKFGOLPHPBS-IHVVCDCBSA-N 0 3 287.432 3.573 20 10 CHCDHN COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000287033159 1123664277 /nfs/dbraw/zinc/66/42/77/1123664277.db2.gz LYDYAXHWDZCLJY-AWEZNQCLSA-N 0 3 279.424 3.804 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000194990344 1129140291 /nfs/dbraw/zinc/14/02/91/1129140291.db2.gz JVNWZBGSDUMWSJ-GJZGRUSLSA-N 0 3 298.430 3.538 20 10 CHCDHN C[N@H+](CCSc1ccccc1)Cc1ccccc1[O-] ZINC000117881601 1123763368 /nfs/dbraw/zinc/76/33/68/1123763368.db2.gz XDBRUVUUOKITNB-UHFFFAOYSA-N 0 3 273.401 3.616 20 10 CHCDHN C[N@@H+](CCSc1ccccc1)Cc1ccccc1[O-] ZINC000117881601 1123763376 /nfs/dbraw/zinc/76/33/76/1123763376.db2.gz XDBRUVUUOKITNB-UHFFFAOYSA-N 0 3 273.401 3.616 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000896952172 1123792496 /nfs/dbraw/zinc/79/24/96/1123792496.db2.gz VCBCXNJZKVCBTE-ZDUSSCGKSA-N 0 3 277.433 3.609 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1[O-] ZINC000840872998 1123871782 /nfs/dbraw/zinc/87/17/82/1123871782.db2.gz OTNKXXFAVLSNPF-XQHKEYJVSA-N 0 3 297.826 3.818 20 10 CHCDHN CC[C@H]([NH2+]CCOc1ccccc1)c1ccc(C)cc1[O-] ZINC000794797513 1123949652 /nfs/dbraw/zinc/94/96/52/1123949652.db2.gz ZOLKIMMZRBFNGN-KRWDZBQOSA-N 0 3 285.387 3.820 20 10 CHCDHN CC[C@@H]([NH2+]CC(CC)(CC)CCO)c1ccc(C)cc1[O-] ZINC000794801923 1123950664 /nfs/dbraw/zinc/95/06/64/1123950664.db2.gz LXUZCCZVKJWGBM-MRXNPFEDSA-N 0 3 293.451 3.930 20 10 CHCDHN CC[C@@H](NCc1ncc(C)s1)c1ccc(C)cc1O ZINC000794802636 1123952583 /nfs/dbraw/zinc/95/25/83/1123952583.db2.gz OMLIFLRDZKYMHG-CYBMUJFWSA-N 0 3 276.405 3.706 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(C)cc1[O-] ZINC000794807004 1123953869 /nfs/dbraw/zinc/95/38/69/1123953869.db2.gz JDDQLSJVUWTYGM-WBVHZDCISA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794807841 1123956326 /nfs/dbraw/zinc/95/63/26/1123956326.db2.gz MBYBKNIVYVBEMV-IEBWSBKVSA-N 0 3 299.414 3.649 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)c1ccc(C)cc1[O-] ZINC000794811597 1123956553 /nfs/dbraw/zinc/95/65/53/1123956553.db2.gz RYQZJEBRNGMCRG-CWRNSKLLSA-N 0 3 277.408 3.555 20 10 CHCDHN CC[C@@H]([NH2+]CCC(O)(CC)CC)c1ccc(C)cc1[O-] ZINC000794815418 1123958281 /nfs/dbraw/zinc/95/82/81/1123958281.db2.gz PENZSNGMMILALK-OAHLLOKOSA-N 0 3 279.424 3.683 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000794816513 1123958289 /nfs/dbraw/zinc/95/82/89/1123958289.db2.gz NQLWQKSLRPYPTE-WBVHZDCISA-N 0 3 293.451 3.784 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000794816509 1123958323 /nfs/dbraw/zinc/95/83/23/1123958323.db2.gz NQLWQKSLRPYPTE-RDJZCZTQSA-N 0 3 293.451 3.784 20 10 CHCDHN COc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC000093149711 1123960906 /nfs/dbraw/zinc/96/09/06/1123960906.db2.gz VLJHOOUUJVUHIJ-CYBMUJFWSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC000093149711 1123960910 /nfs/dbraw/zinc/96/09/10/1123960910.db2.gz VLJHOOUUJVUHIJ-CYBMUJFWSA-N 0 3 283.371 3.520 20 10 CHCDHN CC[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(C)cc1[O-] ZINC000794819413 1123960960 /nfs/dbraw/zinc/96/09/60/1123960960.db2.gz WPCPDEFPSWPAGE-INIZCTEOSA-N 0 3 291.435 3.684 20 10 CHCDHN CC[C@H]([NH2+]CC(CC)(CC)CO)c1ccc(C)cc1[O-] ZINC000794819767 1123961580 /nfs/dbraw/zinc/96/15/80/1123961580.db2.gz XUUSZGJAJQSEGC-HNNXBMFYSA-N 0 3 279.424 3.540 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCSC2)c2c1c(F)ccc2[O-] ZINC000866402378 1124063072 /nfs/dbraw/zinc/06/30/72/1124063072.db2.gz JQWUGAGBTGJQLZ-NQBHXWOUSA-N 0 3 295.423 3.812 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cccc(F)c2F)c(O)c1 ZINC000866476133 1124069871 /nfs/dbraw/zinc/06/98/71/1124069871.db2.gz IOESEAJDYINMNF-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN COc1cccc([C@H](C)NCc2cccc(F)c2F)c1O ZINC000866476781 1124070361 /nfs/dbraw/zinc/07/03/61/1124070361.db2.gz SCFKKEHPIURSGL-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1ccc(C)cc1[O-] ZINC000873288862 1124761360 /nfs/dbraw/zinc/76/13/60/1124761360.db2.gz MZBWIBWATRYLMF-MRXNPFEDSA-N 0 3 288.366 3.663 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1[O-] ZINC000019908214 1124768988 /nfs/dbraw/zinc/76/89/88/1124768988.db2.gz TWASBJJFDUNVRD-NSHDSACASA-N 0 3 261.752 3.896 20 10 CHCDHN C[C@H](NCc1ccccc1Cl)c1ccccc1O ZINC000019908214 1124768994 /nfs/dbraw/zinc/76/89/94/1124768994.db2.gz TWASBJJFDUNVRD-NSHDSACASA-N 0 3 261.752 3.896 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccns1)C1CCCC1 ZINC000876722427 1124972879 /nfs/dbraw/zinc/97/28/79/1124972879.db2.gz UOIUELHHJNCSAV-UHFFFAOYSA-N 0 3 288.416 3.794 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccns1)C1CCCC1 ZINC000876722427 1124972887 /nfs/dbraw/zinc/97/28/87/1124972887.db2.gz UOIUELHHJNCSAV-UHFFFAOYSA-N 0 3 288.416 3.794 20 10 CHCDHN COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876988322 1124994760 /nfs/dbraw/zinc/99/47/60/1124994760.db2.gz BUKPFBCNDVMXTD-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000877377140 1125025100 /nfs/dbraw/zinc/02/51/00/1125025100.db2.gz VZUREGKNLBRDQL-PKOBYXMFSA-N 0 3 297.398 3.711 20 10 CHCDHN CSCC1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877560796 1125045399 /nfs/dbraw/zinc/04/53/99/1125045399.db2.gz AYKQGZYOHQGQFZ-UHFFFAOYSA-N 0 3 279.449 3.712 20 10 CHCDHN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c(C)cccc1[O-])CC2 ZINC000877613132 1125053718 /nfs/dbraw/zinc/05/37/18/1125053718.db2.gz XUNXJOQRNISTNC-KRWDZBQOSA-N 0 3 267.372 3.786 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000877702920 1125066728 /nfs/dbraw/zinc/06/67/28/1125066728.db2.gz JZXKFAAQDQFZOF-HOTGVXAUSA-N 0 3 265.356 3.512 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000877702920 1125066736 /nfs/dbraw/zinc/06/67/36/1125066736.db2.gz JZXKFAAQDQFZOF-HOTGVXAUSA-N 0 3 265.356 3.512 20 10 CHCDHN Cc1ccc(F)cc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756540 1125071954 /nfs/dbraw/zinc/07/19/54/1125071954.db2.gz QGZLZEPTIBDCJB-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877756339 1125071990 /nfs/dbraw/zinc/07/19/90/1125071990.db2.gz IADFUTDRGZYQCX-ZIAGYGMSSA-N 0 3 285.387 3.683 20 10 CHCDHN CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755919 1125072511 /nfs/dbraw/zinc/07/25/11/1125072511.db2.gz SVSVRXSGVQCLMY-IZDJOXEWSA-N 0 3 299.351 3.766 20 10 CHCDHN C[C@@H](NCc1ncccc1C(F)(F)F)c1ccccc1O ZINC000877756499 1125072752 /nfs/dbraw/zinc/07/27/52/1125072752.db2.gz MWHLRWVKKMFRJV-SNVBAGLBSA-N 0 3 296.292 3.657 20 10 CHCDHN C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1[O-] ZINC000877756252 1125073146 /nfs/dbraw/zinc/07/31/46/1125073146.db2.gz BNBQYUOKFVBRBH-LLVKDONJSA-N 0 3 288.416 3.967 20 10 CHCDHN Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000877757213 1125074077 /nfs/dbraw/zinc/07/40/77/1125074077.db2.gz OIEUJQQJUDXUND-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CS1 ZINC000877758123 1125074186 /nfs/dbraw/zinc/07/41/86/1125074186.db2.gz JRPUOBGIXFNZLH-YWPYICTPSA-N 0 3 265.422 3.573 20 10 CHCDHN CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758243 1125074960 /nfs/dbraw/zinc/07/49/60/1125074960.db2.gz PBHIDNUGCHXHRW-DEYYWGMASA-N 0 3 285.387 3.819 20 10 CHCDHN CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CS1 ZINC000877758122 1125075631 /nfs/dbraw/zinc/07/56/31/1125075631.db2.gz JRPUOBGIXFNZLH-SLEUVZQESA-N 0 3 265.422 3.573 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000717108809 1125150201 /nfs/dbraw/zinc/15/02/01/1125150201.db2.gz GJLHTJGZGWOIKF-KBPBESRZSA-N 0 3 275.392 3.535 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000783710098 1125285683 /nfs/dbraw/zinc/28/56/83/1125285683.db2.gz JNSWVPRREQEBDK-NOZJJQNGSA-N 0 3 298.224 3.741 20 10 CHCDHN CC(C)OCCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000382806792 1125396259 /nfs/dbraw/zinc/39/62/59/1125396259.db2.gz YJPAKHODAMIPTK-UHFFFAOYSA-N 0 3 287.403 3.792 20 10 CHCDHN CC(C)OCCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000382806792 1125396261 /nfs/dbraw/zinc/39/62/61/1125396261.db2.gz YJPAKHODAMIPTK-UHFFFAOYSA-N 0 3 287.403 3.792 20 10 CHCDHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2O)[C@@H](C)CO1 ZINC000245636847 1129214210 /nfs/dbraw/zinc/21/42/10/1129214210.db2.gz XGLFVBJYTAXYJL-KXBFYZLASA-N 0 3 297.398 3.663 20 10 CHCDHN C[C@@]1([NH2+]Cc2ccccc2[O-])CCCc2ccccc21 ZINC000734844131 1129324415 /nfs/dbraw/zinc/32/44/15/1129324415.db2.gz VGMDIYRRHUMVLX-GOSISDBHSA-N 0 3 267.372 3.734 20 10 CHCDHN CC[C@H](NCc1nc2c(s1)CCC2)c1ccccc1O ZINC000719570643 1129345538 /nfs/dbraw/zinc/34/55/38/1129345538.db2.gz KZGOTVSQPFEJML-LBPRGKRZSA-N 0 3 288.416 3.578 20 10 CHCDHN CSC[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000736361297 1129372999 /nfs/dbraw/zinc/37/29/99/1129372999.db2.gz SGNFCZMMHYWUTF-ZDUSSCGKSA-N 0 3 287.428 3.900 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H](SC)C2)c1[O-] ZINC000092064104 1129379379 /nfs/dbraw/zinc/37/93/79/1129379379.db2.gz ABOWQAUTYDVLHX-CQSZACIVSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H](SC)C2)c1[O-] ZINC000092064104 1129379384 /nfs/dbraw/zinc/37/93/84/1129379384.db2.gz ABOWQAUTYDVLHX-CQSZACIVSA-N 0 3 295.448 3.508 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000248386173 1129415994 /nfs/dbraw/zinc/41/59/94/1129415994.db2.gz LNVZEIOCELZUAP-HUUCEWRRSA-N 0 3 290.451 3.553 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000248555391 1129422332 /nfs/dbraw/zinc/42/23/32/1129422332.db2.gz KKMPOWITWFIEHI-VMGRFDJRSA-N 0 3 295.398 3.776 20 10 CHCDHN COc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000093689639 1129427280 /nfs/dbraw/zinc/42/72/80/1129427280.db2.gz SEURTYUTNDHCMB-PBHICJAKSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000093689639 1129427282 /nfs/dbraw/zinc/42/72/82/1129427282.db2.gz SEURTYUTNDHCMB-PBHICJAKSA-N 0 3 297.398 3.779 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000094617930 1129448292 /nfs/dbraw/zinc/44/82/92/1129448292.db2.gz NZVUKHZXBQCKSK-SECBINFHSA-N 0 3 281.277 3.660 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000094617032 1129448587 /nfs/dbraw/zinc/44/85/87/1129448587.db2.gz NLMJWHPUGQZXLO-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC1(Cl)Cl ZINC000743869856 1129542206 /nfs/dbraw/zinc/54/22/06/1129542206.db2.gz CODHIQIETJJYJE-LBPRGKRZSA-N 0 3 288.218 3.798 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC1(Cl)Cl ZINC000743869856 1129542208 /nfs/dbraw/zinc/54/22/08/1129542208.db2.gz CODHIQIETJJYJE-LBPRGKRZSA-N 0 3 288.218 3.798 20 10 CHCDHN CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1(C)C ZINC000766330175 1129604688 /nfs/dbraw/zinc/60/46/88/1129604688.db2.gz BQHTZCYBIHBTJN-XFBWCDHKSA-N 0 3 295.398 3.774 20 10 CHCDHN CSC1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000720559035 1129657445 /nfs/dbraw/zinc/65/74/45/1129657445.db2.gz UPGVWHQZMXGKHV-ZALBZXLWSA-N 0 3 291.460 3.891 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000768228398 1129845152 /nfs/dbraw/zinc/84/51/52/1129845152.db2.gz IMJSLKPZVONJPA-INIZCTEOSA-N 0 3 283.371 3.738 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000768228398 1129845155 /nfs/dbraw/zinc/84/51/55/1129845155.db2.gz IMJSLKPZVONJPA-INIZCTEOSA-N 0 3 283.371 3.738 20 10 CHCDHN CCC(CC)[N@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000768258944 1129847149 /nfs/dbraw/zinc/84/71/49/1129847149.db2.gz ZGSCVDYKDAFKLW-UHFFFAOYSA-N 0 3 263.381 3.554 20 10 CHCDHN CCC(CC)[N@@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000768258944 1129847155 /nfs/dbraw/zinc/84/71/55/1129847155.db2.gz ZGSCVDYKDAFKLW-UHFFFAOYSA-N 0 3 263.381 3.554 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000800276007 1129861866 /nfs/dbraw/zinc/86/18/66/1129861866.db2.gz HBFXVSYDNBCCRV-GFCCVEGCSA-N 0 3 299.361 3.706 20 10 CHCDHN CCSCCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000800492701 1129879789 /nfs/dbraw/zinc/87/97/89/1129879789.db2.gz NAOPLFFQZQAVMN-AWEZNQCLSA-N 0 3 267.438 3.885 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c([O-])c1 ZINC000800992822 1129903041 /nfs/dbraw/zinc/90/30/41/1129903041.db2.gz TUKXXJYMZOGNIH-DNVCBOLYSA-N 0 3 299.414 3.702 20 10 CHCDHN CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC000769482775 1129909767 /nfs/dbraw/zinc/90/97/67/1129909767.db2.gz HYGNJLBSKFSLMM-CQSZACIVSA-N 0 3 297.398 3.738 20 10 CHCDHN CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC000769482775 1129909770 /nfs/dbraw/zinc/90/97/70/1129909770.db2.gz HYGNJLBSKFSLMM-CQSZACIVSA-N 0 3 297.398 3.738 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1[O-] ZINC000769452319 1129911341 /nfs/dbraw/zinc/91/13/41/1129911341.db2.gz WFTWRKAGZIDEEO-ZIAGYGMSSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1[O-] ZINC000769452319 1129911343 /nfs/dbraw/zinc/91/13/43/1129911343.db2.gz WFTWRKAGZIDEEO-ZIAGYGMSSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+](C)CCc2cccs2)c([O-])c1 ZINC000769498504 1129914069 /nfs/dbraw/zinc/91/40/69/1129914069.db2.gz JFSYPZPIAZDXRE-UHFFFAOYSA-N 0 3 291.416 3.527 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)CCc2cccs2)c([O-])c1 ZINC000769498504 1129914071 /nfs/dbraw/zinc/91/40/71/1129914071.db2.gz JFSYPZPIAZDXRE-UHFFFAOYSA-N 0 3 291.416 3.527 20 10 CHCDHN Cc1ccc(O)c(CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000769507736 1129915064 /nfs/dbraw/zinc/91/50/64/1129915064.db2.gz NVSJRCYORKDNTK-MRXNPFEDSA-N 0 3 271.335 3.787 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1[O-] ZINC000801527374 1129924163 /nfs/dbraw/zinc/92/41/63/1129924163.db2.gz AFYHNNHDZZRAMS-GDBMZVCRSA-N 0 3 289.419 3.925 20 10 CHCDHN CCCC[N@H+](CC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000801594599 1129931348 /nfs/dbraw/zinc/93/13/48/1129931348.db2.gz HIQOCWAIWIRZPG-MRXNPFEDSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCC[N@@H+](CC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000801594599 1129931349 /nfs/dbraw/zinc/93/13/49/1129931349.db2.gz HIQOCWAIWIRZPG-MRXNPFEDSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCC[N@H+](CCC(=O)C(C)(C)C)Cc1ccccc1[O-] ZINC000801598562 1129931741 /nfs/dbraw/zinc/93/17/41/1129931741.db2.gz CCPZPOMNWQTNJW-UHFFFAOYSA-N 0 3 291.435 4.000 20 10 CHCDHN CCCC[N@@H+](CCC(=O)C(C)(C)C)Cc1ccccc1[O-] ZINC000801598562 1129931743 /nfs/dbraw/zinc/93/17/43/1129931743.db2.gz CCPZPOMNWQTNJW-UHFFFAOYSA-N 0 3 291.435 4.000 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000770508584 1129948248 /nfs/dbraw/zinc/94/82/48/1129948248.db2.gz AGMXYQNIUGQOBN-KRWDZBQOSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000770508584 1129948250 /nfs/dbraw/zinc/94/82/50/1129948250.db2.gz AGMXYQNIUGQOBN-KRWDZBQOSA-N 0 3 285.362 3.738 20 10 CHCDHN Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccccc2[O-])cc1 ZINC000770509534 1129949143 /nfs/dbraw/zinc/94/91/43/1129949143.db2.gz DAMNZOYDYJVQSX-QGZVFWFLSA-N 0 3 299.439 3.991 20 10 CHCDHN Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccccc2[O-])cc1 ZINC000770509534 1129949146 /nfs/dbraw/zinc/94/91/46/1129949146.db2.gz DAMNZOYDYJVQSX-QGZVFWFLSA-N 0 3 299.439 3.991 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000802308716 1129991297 /nfs/dbraw/zinc/99/12/97/1129991297.db2.gz HGGRSHYOFQKQMX-KFWWJZLASA-N 0 3 291.435 3.945 20 10 CHCDHN CCCC[N@H+](Cc1scnc1C)Cc1ccccc1[O-] ZINC000802657872 1130027459 /nfs/dbraw/zinc/02/74/59/1130027459.db2.gz WPWVLJJBDRDMFT-UHFFFAOYSA-N 0 3 290.432 3.959 20 10 CHCDHN CCCC[N@@H+](Cc1scnc1C)Cc1ccccc1[O-] ZINC000802657872 1130027465 /nfs/dbraw/zinc/02/74/65/1130027465.db2.gz WPWVLJJBDRDMFT-UHFFFAOYSA-N 0 3 290.432 3.959 20 10 CHCDHN CCNc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000902643235 1130033044 /nfs/dbraw/zinc/03/30/44/1130033044.db2.gz KZHTZYXZJNOSNU-CYBMUJFWSA-N 0 3 270.376 3.675 20 10 CHCDHN CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001461933510 1130116497 /nfs/dbraw/zinc/11/64/97/1130116497.db2.gz FLXJLURMWDQBRB-GJZGRUSLSA-N 0 3 279.449 3.807 20 10 CHCDHN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001461933510 1130116499 /nfs/dbraw/zinc/11/64/99/1130116499.db2.gz FLXJLURMWDQBRB-GJZGRUSLSA-N 0 3 279.449 3.807 20 10 CHCDHN CC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1[O-] ZINC000903180913 1130124542 /nfs/dbraw/zinc/12/45/42/1130124542.db2.gz ATYRRVGTGZDANT-KRWDZBQOSA-N 0 3 296.414 3.907 20 10 CHCDHN C[N@H+](Cc1ccc2cnccc2c1)Cc1ccccc1[O-] ZINC000787112296 1130130854 /nfs/dbraw/zinc/13/08/54/1130130854.db2.gz RLMVRKPRVKVEAI-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccc2cnccc2c1)Cc1ccccc1[O-] ZINC000787112296 1130130855 /nfs/dbraw/zinc/13/08/55/1130130855.db2.gz RLMVRKPRVKVEAI-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccccc1[O-] ZINC000903430048 1130176305 /nfs/dbraw/zinc/17/63/05/1130176305.db2.gz XGVUJECQWKQHGR-PXAZEXFGSA-N 0 3 268.360 3.589 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC000753574193 1130218862 /nfs/dbraw/zinc/21/88/62/1130218862.db2.gz CKUJULFGACNRKD-ZDUSSCGKSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC000753574193 1130218867 /nfs/dbraw/zinc/21/88/67/1130218867.db2.gz CKUJULFGACNRKD-ZDUSSCGKSA-N 0 3 277.408 3.659 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1CCCC1 ZINC000789327431 1130243876 /nfs/dbraw/zinc/24/38/76/1130243876.db2.gz OYLKYVDDHUMFEY-QGZVFWFLSA-N 0 3 291.435 3.545 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1CCCC1 ZINC000789327431 1130243882 /nfs/dbraw/zinc/24/38/82/1130243882.db2.gz OYLKYVDDHUMFEY-QGZVFWFLSA-N 0 3 291.435 3.545 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1CCCCC1 ZINC000789325602 1130243943 /nfs/dbraw/zinc/24/39/43/1130243943.db2.gz BOYFCKKBIPDCCB-SFHVURJKSA-N 0 3 291.435 3.545 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C1CCCCC1 ZINC000789325602 1130243949 /nfs/dbraw/zinc/24/39/49/1130243949.db2.gz BOYFCKKBIPDCCB-SFHVURJKSA-N 0 3 291.435 3.545 20 10 CHCDHN CCc1ccc([C@@H](O)C[NH2+][C@@H](CC)c2ccccc2[O-])cc1 ZINC000789363042 1130247139 /nfs/dbraw/zinc/24/71/39/1130247139.db2.gz RJXLQQOVVBVARS-HKUYNNGSSA-N 0 3 299.414 3.729 20 10 CHCDHN CCN(CC)c1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793358782 1130545354 /nfs/dbraw/zinc/54/53/54/1130545354.db2.gz IDSCFTIHWIEYQZ-UHFFFAOYSA-N 0 3 282.378 3.764 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])CC1(SC)CCC1 ZINC000811459535 1130610807 /nfs/dbraw/zinc/61/08/07/1130610807.db2.gz GZINXGGJIUHKBZ-UHFFFAOYSA-N 0 3 279.449 3.890 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])CC1(SC)CCC1 ZINC000811459535 1130610810 /nfs/dbraw/zinc/61/08/10/1130610810.db2.gz GZINXGGJIUHKBZ-UHFFFAOYSA-N 0 3 279.449 3.890 20 10 CHCDHN CN(C)c1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1F ZINC000811513750 1130619719 /nfs/dbraw/zinc/61/97/19/1130619719.db2.gz OMEVMJCDGDRZBF-MRXNPFEDSA-N 0 3 276.399 3.512 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000758988959 1130632412 /nfs/dbraw/zinc/63/24/12/1130632412.db2.gz UDRBADFHTMITFZ-UHFFFAOYSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000758988959 1130632413 /nfs/dbraw/zinc/63/24/13/1130632413.db2.gz UDRBADFHTMITFZ-UHFFFAOYSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1c(C[NH+]2CCC(F)CC2)cccc1-c1ccccc1 ZINC001234991482 1130700326 /nfs/dbraw/zinc/70/03/26/1130700326.db2.gz MURYRFZZOMQHNE-UHFFFAOYSA-N 0 3 285.362 3.993 20 10 CHCDHN COCC[N@H+](Cc1cccc(-c2ccccc2)c1[O-])C(C)C ZINC001234996230 1130701001 /nfs/dbraw/zinc/70/10/01/1130701001.db2.gz XFKJCUUODIBVEV-UHFFFAOYSA-N 0 3 299.414 3.916 20 10 CHCDHN COCC[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])C(C)C ZINC001234996230 1130701007 /nfs/dbraw/zinc/70/10/07/1130701007.db2.gz XFKJCUUODIBVEV-UHFFFAOYSA-N 0 3 299.414 3.916 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCF)c1[O-] ZINC000812737707 1130709925 /nfs/dbraw/zinc/70/99/25/1130709925.db2.gz XZNBLRHORBTHQI-SNVBAGLBSA-N 0 3 259.752 3.754 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccccc1[O-] ZINC000812738552 1130710049 /nfs/dbraw/zinc/71/00/49/1130710049.db2.gz VROPYGGCBGQBDX-MRXNPFEDSA-N 0 3 295.386 3.520 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000782053102 1130753852 /nfs/dbraw/zinc/75/38/52/1130753852.db2.gz OSSRJPQJRWDACH-HUUCEWRRSA-N 0 3 281.399 3.848 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2CCC(F)CC2)c([O-])c1 ZINC001235676368 1130765540 /nfs/dbraw/zinc/76/55/40/1130765540.db2.gz RJSIQKSCTYATOH-UHFFFAOYSA-N 0 3 265.372 3.624 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([O-])c1 ZINC001235684585 1130768240 /nfs/dbraw/zinc/76/82/40/1130768240.db2.gz YQMXCWCJWUMOMD-OCCSQVGLSA-N 0 3 295.373 3.777 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([O-])c1 ZINC001235684585 1130768243 /nfs/dbraw/zinc/76/82/43/1130768243.db2.gz YQMXCWCJWUMOMD-OCCSQVGLSA-N 0 3 295.373 3.777 20 10 CHCDHN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccccc1O ZINC000783505784 1130831313 /nfs/dbraw/zinc/83/13/13/1130831313.db2.gz XJIHRHBKAQPLPK-SLEUVZQESA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccccc1[O-] ZINC000783505784 1130831322 /nfs/dbraw/zinc/83/13/22/1130831322.db2.gz XJIHRHBKAQPLPK-SLEUVZQESA-N 0 3 271.360 3.959 20 10 CHCDHN COc1ccccc1C1(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000783509960 1130831429 /nfs/dbraw/zinc/83/14/29/1130831429.db2.gz VRVJTZSHVPEHMU-AWEZNQCLSA-N 0 3 297.398 3.783 20 10 CHCDHN CCC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccn1 ZINC000783510418 1130833030 /nfs/dbraw/zinc/83/30/30/1130833030.db2.gz YYVONCVCWBBXCI-CZUORRHYSA-N 0 3 270.376 3.979 20 10 CHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1C(C)C ZINC000783546677 1130836185 /nfs/dbraw/zinc/83/61/85/1130836185.db2.gz SLLSXRTVRJWXLG-KKUMJFAQSA-N 0 3 291.435 3.822 20 10 CHCDHN COC1(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCCCC1 ZINC000775982658 1130901165 /nfs/dbraw/zinc/90/11/65/1130901165.db2.gz FJMJTUXSAQUBTJ-UHFFFAOYSA-N 0 3 297.826 3.793 20 10 CHCDHN CCSCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168809574 1130910994 /nfs/dbraw/zinc/91/09/94/1130910994.db2.gz VEDCKHUTZBMTSN-MNOVXSKESA-N 0 3 271.401 3.714 20 10 CHCDHN Cc1cc(CNC2(c3ccc(F)cc3)CC2)ccc1N(C)C ZINC000815068892 1130955647 /nfs/dbraw/zinc/95/56/47/1130955647.db2.gz HDYPWIDPRVKTGI-UHFFFAOYSA-N 0 3 298.405 3.979 20 10 CHCDHN Cc1cc(CNC2(c3ccccc3)CC2)ccc1N(C)C ZINC000815082721 1130957524 /nfs/dbraw/zinc/95/75/24/1130957524.db2.gz FFYRVBYCCIGVDT-UHFFFAOYSA-N 0 3 280.415 3.840 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1cccc3occc31)CC2 ZINC001236738941 1131002000 /nfs/dbraw/zinc/00/20/00/1131002000.db2.gz JOPQUUALRKJTGE-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1cccc3occc31)CC2 ZINC001236738941 1131002007 /nfs/dbraw/zinc/00/20/07/1131002007.db2.gz JOPQUUALRKJTGE-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN CCc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001236782391 1131005989 /nfs/dbraw/zinc/00/59/89/1131005989.db2.gz AWILQXNKSMIQJL-GASCZTMLSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001236782391 1131005994 /nfs/dbraw/zinc/00/59/94/1131005994.db2.gz AWILQXNKSMIQJL-GASCZTMLSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC001236787250 1131006481 /nfs/dbraw/zinc/00/64/81/1131006481.db2.gz APSULZJHMJSYTI-HOCLYGCPSA-N 0 3 259.393 3.719 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC001236787250 1131006487 /nfs/dbraw/zinc/00/64/87/1131006487.db2.gz APSULZJHMJSYTI-HOCLYGCPSA-N 0 3 259.393 3.719 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c([O-])c1 ZINC001236784393 1131007688 /nfs/dbraw/zinc/00/76/88/1131007688.db2.gz WEESQGMKGIYJPP-QGZVFWFLSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c([O-])c1 ZINC001236784393 1131007692 /nfs/dbraw/zinc/00/76/92/1131007692.db2.gz WEESQGMKGIYJPP-QGZVFWFLSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(CN2CCc3c(F)cccc3C2)c(O)c1 ZINC001236793546 1131009809 /nfs/dbraw/zinc/00/98/09/1131009809.db2.gz YLOVERQTLKBXNZ-UHFFFAOYSA-N 0 3 285.362 3.652 20 10 CHCDHN CCc1ccc(C[NH+]2CC(c3ccccc3)C2)c([O-])c1 ZINC001236793528 1131009864 /nfs/dbraw/zinc/00/98/64/1131009864.db2.gz YAFGDEMEMMMGBT-UHFFFAOYSA-N 0 3 267.372 3.554 20 10 CHCDHN COc1cc(C)c(C[NH+]2CCC3(CCCC3)CC2)c([O-])c1 ZINC001236807734 1131011326 /nfs/dbraw/zinc/01/13/26/1131011326.db2.gz KKFZPPDEXOEGTF-UHFFFAOYSA-N 0 3 289.419 3.865 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(C)cc1[O-] ZINC000815642822 1131015198 /nfs/dbraw/zinc/01/51/98/1131015198.db2.gz MXAVUIAAAIAZPP-DOMZBBRYSA-N 0 3 286.375 3.603 20 10 CHCDHN C[C@@]1(F)CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236826096 1131015858 /nfs/dbraw/zinc/01/58/58/1131015858.db2.gz GUNLKAMODUUQCJ-QGZVFWFLSA-N 0 3 273.351 3.869 20 10 CHCDHN C[C@@]1(F)CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236826096 1131015864 /nfs/dbraw/zinc/01/58/64/1131015864.db2.gz GUNLKAMODUUQCJ-QGZVFWFLSA-N 0 3 273.351 3.869 20 10 CHCDHN CC1(C)[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]21 ZINC001236830892 1131016544 /nfs/dbraw/zinc/01/65/44/1131016544.db2.gz DGRRBKYYWLDHEA-IYBDPMFKSA-N 0 3 267.372 3.633 20 10 CHCDHN CC1(C)[C@@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])C[C@@H]21 ZINC001236830892 1131016550 /nfs/dbraw/zinc/01/65/50/1131016550.db2.gz DGRRBKYYWLDHEA-IYBDPMFKSA-N 0 3 267.372 3.633 20 10 CHCDHN CC(C)C1([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000815647601 1131017114 /nfs/dbraw/zinc/01/71/14/1131017114.db2.gz PGUDZWBDTYDRFV-PWSUYJOCSA-N 0 3 263.356 3.858 20 10 CHCDHN CSC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236840127 1131021946 /nfs/dbraw/zinc/02/19/46/1131021946.db2.gz HSPWXQWHEVCEMX-UHFFFAOYSA-N 0 3 287.428 3.873 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CCC3(CC3)CC2)c([O-])c1 ZINC001237045978 1131039488 /nfs/dbraw/zinc/03/94/88/1131039488.db2.gz OCDUJNUZNYVZRA-UHFFFAOYSA-N 0 3 259.393 3.892 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC23CCCCC3)c([O-])c1 ZINC001237049483 1131039937 /nfs/dbraw/zinc/03/99/37/1131039937.db2.gz GTABYESFGOYNIM-UHFFFAOYSA-N 0 3 275.392 3.700 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC23CCCCC3)c([O-])c1 ZINC001237049483 1131039941 /nfs/dbraw/zinc/03/99/41/1131039941.db2.gz GTABYESFGOYNIM-UHFFFAOYSA-N 0 3 275.392 3.700 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CC(c3cccnc3)C2)c([O-])c1 ZINC001237050088 1131039990 /nfs/dbraw/zinc/03/99/90/1131039990.db2.gz XQVCGEVBLOIAKL-UHFFFAOYSA-N 0 3 282.387 3.510 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c([O-])c1 ZINC001237050741 1131040594 /nfs/dbraw/zinc/04/05/94/1131040594.db2.gz WPUFTBYEAFBIFM-MRXNPFEDSA-N 0 3 281.371 3.505 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)c([O-])c1 ZINC001237050741 1131040600 /nfs/dbraw/zinc/04/06/00/1131040600.db2.gz WPUFTBYEAFBIFM-MRXNPFEDSA-N 0 3 281.371 3.505 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c([O-])c1 ZINC001237051949 1131042211 /nfs/dbraw/zinc/04/22/11/1131042211.db2.gz PNSBNGDZCXIBFF-KDOFPFPSSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c([O-])c1 ZINC001237051949 1131042216 /nfs/dbraw/zinc/04/22/16/1131042216.db2.gz PNSBNGDZCXIBFF-KDOFPFPSSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)[NH+](Cc1c([O-])cccc1OC(F)(F)F)C(C)C ZINC001237119023 1131052272 /nfs/dbraw/zinc/05/22/72/1131052272.db2.gz COTXJAQAXPIHPF-UHFFFAOYSA-N 0 3 291.313 3.910 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000217802426 1131057128 /nfs/dbraw/zinc/05/71/28/1131057128.db2.gz ZMLPMQOHLDRREK-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000217802426 1131057132 /nfs/dbraw/zinc/05/71/32/1131057132.db2.gz ZMLPMQOHLDRREK-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001237492998 1131103347 /nfs/dbraw/zinc/10/33/47/1131103347.db2.gz YXJUYEICLWRNIG-KRWDZBQOSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001237492998 1131103349 /nfs/dbraw/zinc/10/33/49/1131103349.db2.gz YXJUYEICLWRNIG-KRWDZBQOSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001237487774 1131104056 /nfs/dbraw/zinc/10/40/56/1131104056.db2.gz MXYDMWRCFWLGKN-ZBFHGGJFSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001237487774 1131104059 /nfs/dbraw/zinc/10/40/59/1131104059.db2.gz MXYDMWRCFWLGKN-ZBFHGGJFSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001237488388 1131104231 /nfs/dbraw/zinc/10/42/31/1131104231.db2.gz WDYSCZOBCJWGBY-UHFFFAOYSA-N 0 3 279.383 3.990 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001237488388 1131104233 /nfs/dbraw/zinc/10/42/33/1131104233.db2.gz WDYSCZOBCJWGBY-UHFFFAOYSA-N 0 3 279.383 3.990 20 10 CHCDHN COc1ccc2c(c1)C[N@@H+](Cc1c(C)cccc1[O-])CCC2 ZINC001237490823 1131104408 /nfs/dbraw/zinc/10/44/08/1131104408.db2.gz BZZRBVSXGWEEKR-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN COc1ccc2c(c1)C[N@H+](Cc1c(C)cccc1[O-])CCC2 ZINC001237490823 1131104411 /nfs/dbraw/zinc/10/44/11/1131104411.db2.gz BZZRBVSXGWEEKR-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001237486683 1131104422 /nfs/dbraw/zinc/10/44/22/1131104422.db2.gz BLENNIGVFXBISO-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001237486683 1131104425 /nfs/dbraw/zinc/10/44/25/1131104425.db2.gz BLENNIGVFXBISO-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001237490641 1131105116 /nfs/dbraw/zinc/10/51/16/1131105116.db2.gz YNOPNAOEMGDVNV-KRWDZBQOSA-N 0 3 281.399 3.765 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001237490641 1131105118 /nfs/dbraw/zinc/10/51/18/1131105118.db2.gz YNOPNAOEMGDVNV-KRWDZBQOSA-N 0 3 281.399 3.765 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001237494159 1131105341 /nfs/dbraw/zinc/10/53/41/1131105341.db2.gz FMVBULOPWDPLNN-UHFFFAOYSA-N 0 3 297.398 3.786 20 10 CHCDHN CC[N@H+](CCc1ccc(OC)cc1)Cc1c(C)cccc1[O-] ZINC001237494362 1131105852 /nfs/dbraw/zinc/10/58/52/1131105852.db2.gz HPONMNGEKOPUDN-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CC[N@@H+](CCc1ccc(OC)cc1)Cc1c(C)cccc1[O-] ZINC001237494362 1131105856 /nfs/dbraw/zinc/10/58/56/1131105856.db2.gz HPONMNGEKOPUDN-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN Cc1cc(Cl)cc(CN2CCc3ccccc3C2)c1O ZINC001237680651 1131126283 /nfs/dbraw/zinc/12/62/83/1131126283.db2.gz FZEIFAGOIUGFHZ-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC001237685192 1131126567 /nfs/dbraw/zinc/12/65/67/1131126567.db2.gz FILWSDHKHHQZEK-GHMZBOCLSA-N 0 3 267.800 3.832 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+](C)C2CCCC2)cc1Br ZINC001237678758 1131126789 /nfs/dbraw/zinc/12/67/89/1131126789.db2.gz MAAMODUZVDJYTH-UHFFFAOYSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc([O-])c(C[N@H+](C)C2CCCC2)cc1Br ZINC001237678758 1131126793 /nfs/dbraw/zinc/12/67/93/1131126793.db2.gz MAAMODUZVDJYTH-UHFFFAOYSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1[O-] ZINC001237685077 1131127500 /nfs/dbraw/zinc/12/75/00/1131127500.db2.gz DWFPYGXKBYCYQG-SNVBAGLBSA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1[O-] ZINC001237685077 1131127505 /nfs/dbraw/zinc/12/75/05/1131127505.db2.gz DWFPYGXKBYCYQG-SNVBAGLBSA-N 0 3 289.753 3.831 20 10 CHCDHN CCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC001237688268 1131128849 /nfs/dbraw/zinc/12/88/49/1131128849.db2.gz HCPPIRNLCBPHSU-UHFFFAOYSA-N 0 3 297.826 3.745 20 10 CHCDHN CCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC001237688268 1131128851 /nfs/dbraw/zinc/12/88/51/1131128851.db2.gz HCPPIRNLCBPHSU-UHFFFAOYSA-N 0 3 297.826 3.745 20 10 CHCDHN C[C@@H](c1cccnc1)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001116590487 1131155866 /nfs/dbraw/zinc/15/58/66/1131155866.db2.gz WMGLNVJVLPJLHZ-INIZCTEOSA-N 0 3 295.430 3.875 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccccc1[O-] ZINC000817411263 1131160842 /nfs/dbraw/zinc/16/08/42/1131160842.db2.gz QMKHAAAPJBQRQB-DZGCQCFKSA-N 0 3 291.460 3.966 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1ccccc1[O-] ZINC000817410347 1131160968 /nfs/dbraw/zinc/16/09/68/1131160968.db2.gz LTAPFEFXZNIEHZ-INIZCTEOSA-N 0 3 270.376 3.645 20 10 CHCDHN Cc1ccc2c(c1)CCN(Cc1cc(F)cc(C)c1O)C2 ZINC001238066649 1131166222 /nfs/dbraw/zinc/16/62/22/1131166222.db2.gz NLFCOUXAAAKERJ-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1cc(F)cc(CN2CCC[C@H](C(F)(F)F)C2)c1O ZINC001238063580 1131167009 /nfs/dbraw/zinc/16/70/09/1131167009.db2.gz YZNKUNZIBIYURX-NSHDSACASA-N 0 3 291.288 3.614 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2CCC(C(C)C)CC2)c1[O-] ZINC001238070734 1131168411 /nfs/dbraw/zinc/16/84/11/1131168411.db2.gz OREAXZUCZANTDZ-UHFFFAOYSA-N 0 3 265.372 3.708 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccc(C)cc1[O-] ZINC000817587671 1131174265 /nfs/dbraw/zinc/17/42/65/1131174265.db2.gz ZZIZLQHSAPLURG-FMKPAKJESA-N 0 3 277.408 3.699 20 10 CHCDHN CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000817953403 1131190300 /nfs/dbraw/zinc/19/03/00/1131190300.db2.gz MXSDVMPWIABDOC-KDOFPFPSSA-N 0 3 298.430 3.866 20 10 CHCDHN Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817967376 1131193972 /nfs/dbraw/zinc/19/39/72/1131193972.db2.gz GVHNMQCJERUMPH-IAGOWNOFSA-N 0 3 294.398 3.629 20 10 CHCDHN C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000817981189 1131195670 /nfs/dbraw/zinc/19/56/70/1131195670.db2.gz HAIMYTFRIHNNFY-SCLBCKFNSA-N 0 3 298.430 3.714 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([O-])c1 ZINC001118489356 1131228707 /nfs/dbraw/zinc/22/87/07/1131228707.db2.gz JYZUJZPELRTVLL-UZGDPCLZSA-N 0 3 281.346 3.785 20 10 CHCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])c1cc(F)cc(F)c1 ZINC000823752042 1131440989 /nfs/dbraw/zinc/44/09/89/1131440989.db2.gz BHGHCWPXOZKHIT-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)c([O-])c1 ZINC000824544371 1131475455 /nfs/dbraw/zinc/47/54/55/1131475455.db2.gz VZYNKRUJGJYCLJ-CYBMUJFWSA-N 0 3 299.361 3.706 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000824750795 1131484219 /nfs/dbraw/zinc/48/42/19/1131484219.db2.gz PEXHFHLEFQIDMR-GDBMZVCRSA-N 0 3 289.419 3.782 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000825017424 1131494678 /nfs/dbraw/zinc/49/46/78/1131494678.db2.gz RCBGXCRRKKOHPJ-UHFFFAOYSA-N 0 3 289.325 3.535 20 10 CHCDHN Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001138399814 1131498220 /nfs/dbraw/zinc/49/82/20/1131498220.db2.gz JIZWIFFPHDUSKI-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN Cc1c2ccccc2[nH]c1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001138399814 1131498223 /nfs/dbraw/zinc/49/82/23/1131498223.db2.gz JIZWIFFPHDUSKI-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN COc1cccc(C[N@H+](C(C)C)C2CC(C)(C)C2)c1[O-] ZINC000825331809 1131507083 /nfs/dbraw/zinc/50/70/83/1131507083.db2.gz NQQWQYMSMUZINO-UHFFFAOYSA-N 0 3 277.408 3.800 20 10 CHCDHN COc1cccc(C[N@@H+](C(C)C)C2CC(C)(C)C2)c1[O-] ZINC000825331809 1131507086 /nfs/dbraw/zinc/50/70/86/1131507086.db2.gz NQQWQYMSMUZINO-UHFFFAOYSA-N 0 3 277.408 3.800 20 10 CHCDHN CCCOc1ccccc1CN1CCc2cccc(O)c2C1 ZINC001138998184 1131569811 /nfs/dbraw/zinc/56/98/11/1131569811.db2.gz GZDPOLANGJPWAA-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CC[N@H+](Cc1ccc2c(ccn2C)c1)Cc1ccccc1[O-] ZINC001139191946 1131594163 /nfs/dbraw/zinc/59/41/63/1131594163.db2.gz GEGZQFBCZLKCPE-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN CC[N@@H+](Cc1ccc2c(ccn2C)c1)Cc1ccccc1[O-] ZINC001139191946 1131594165 /nfs/dbraw/zinc/59/41/65/1131594165.db2.gz GEGZQFBCZLKCPE-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000844921626 1131608388 /nfs/dbraw/zinc/60/83/88/1131608388.db2.gz QQXSGPPSTGKUPS-RDJZCZTQSA-N 0 3 296.414 3.778 20 10 CHCDHN Cc1ccc(C)c(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c1[O-] ZINC001140178698 1131673200 /nfs/dbraw/zinc/67/32/00/1131673200.db2.gz VBIJPIQVIMKICQ-WFASDCNBSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c1[O-] ZINC001140178698 1131673202 /nfs/dbraw/zinc/67/32/02/1131673202.db2.gz VBIJPIQVIMKICQ-WFASDCNBSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1ccc(C)c(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c1[O-] ZINC001140178697 1131673427 /nfs/dbraw/zinc/67/34/27/1131673427.db2.gz VBIJPIQVIMKICQ-SWLSCSKDSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c1[O-] ZINC001140178697 1131673429 /nfs/dbraw/zinc/67/34/29/1131673429.db2.gz VBIJPIQVIMKICQ-SWLSCSKDSA-N 0 3 261.409 3.877 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(c3ccccc3)CC1)CC2 ZINC000834501823 1131681041 /nfs/dbraw/zinc/68/10/41/1131681041.db2.gz KBURDYXUFHWWJH-INIZCTEOSA-N 0 3 279.383 3.701 20 10 CHCDHN CCC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccn1 ZINC000834566959 1131684217 /nfs/dbraw/zinc/68/42/17/1131684217.db2.gz WBHNYAPSQBTTAK-HOTGVXAUSA-N 0 3 282.387 3.906 20 10 CHCDHN COc1cccc(C[C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834646016 1131690158 /nfs/dbraw/zinc/69/01/58/1131690158.db2.gz UEMHDZJZBNLVBQ-SUMWQHHRSA-N 0 3 297.398 3.609 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)CC2 ZINC000834693479 1131694166 /nfs/dbraw/zinc/69/41/66/1131694166.db2.gz OWSOUMZZFFBLED-YJBOKZPZSA-N 0 3 280.371 3.515 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCc1cccs1)CC2 ZINC000834698448 1131694286 /nfs/dbraw/zinc/69/42/86/1131694286.db2.gz ZPSZCBOZHXXOAU-CQSZACIVSA-N 0 3 273.401 3.663 20 10 CHCDHN CCOc1cccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834688672 1131694489 /nfs/dbraw/zinc/69/44/89/1131694489.db2.gz DBAQGLYQCYMPTJ-KRWDZBQOSA-N 0 3 297.398 3.611 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(C)cc1[O-] ZINC000846206212 1131695846 /nfs/dbraw/zinc/69/58/46/1131695846.db2.gz XPYFCHSLIYCXFD-BBRMVZONSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@]1(CC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@]1(F)Cl ZINC000846184290 1131697732 /nfs/dbraw/zinc/69/77/32/1131697732.db2.gz JLMWVOXKMZKOTB-TUKIKUTGSA-N 0 3 283.774 3.674 20 10 CHCDHN C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cc(F)ccc1[O-] ZINC000846185230 1131697808 /nfs/dbraw/zinc/69/78/08/1131697808.db2.gz RESCNIYONLGIMF-QCZZGDTMSA-N 0 3 289.753 3.887 20 10 CHCDHN CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000846200623 1131700022 /nfs/dbraw/zinc/70/00/22/1131700022.db2.gz GOWSUFYEIJDJSZ-QMPIGLIWSA-N 0 3 293.382 3.627 20 10 CHCDHN CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834765448 1131703129 /nfs/dbraw/zinc/70/31/29/1131703129.db2.gz MJKRQBOTBZWNRI-GHMZBOCLSA-N 0 3 273.298 3.700 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834769405 1131704784 /nfs/dbraw/zinc/70/47/84/1131704784.db2.gz MPQVSGIBSZBBTC-ZOBUZTSGSA-N 0 3 289.419 3.563 20 10 CHCDHN CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])Cc1ccccc1 ZINC000834856646 1131713047 /nfs/dbraw/zinc/71/30/47/1131713047.db2.gz SVIPGLOHAGDMEO-DOTOQJQBSA-N 0 3 299.414 3.609 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1ccc(C)cc1[O-] ZINC000834883174 1131717445 /nfs/dbraw/zinc/71/74/45/1131717445.db2.gz ZQWUEEBDEVZVNO-GDBMZVCRSA-N 0 3 265.397 3.556 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000834886213 1131718531 /nfs/dbraw/zinc/71/85/31/1131718531.db2.gz QXKSNJNGMKIPTJ-DAYGRLMNSA-N 0 3 291.435 3.802 20 10 CHCDHN Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834887224 1131719380 /nfs/dbraw/zinc/71/93/80/1131719380.db2.gz QCZGDBMUERYQBT-SMDDNHRTSA-N 0 3 286.350 3.573 20 10 CHCDHN CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834911008 1131731780 /nfs/dbraw/zinc/73/17/80/1131731780.db2.gz HJGVVMUVAQNAAD-KCPJHIHWSA-N 0 3 297.826 3.962 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c1[O-] ZINC000834913940 1131732758 /nfs/dbraw/zinc/73/27/58/1131732758.db2.gz JNIAMEKCYDCKGT-NTZNESFSSA-N 0 3 283.799 3.572 20 10 CHCDHN CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834914826 1131733337 /nfs/dbraw/zinc/73/33/37/1131733337.db2.gz WRJBXAFMAFJKPM-QMPIGLIWSA-N 0 3 293.382 3.627 20 10 CHCDHN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000834914811 1131733790 /nfs/dbraw/zinc/73/37/90/1131733790.db2.gz WNXJWQVKBBVSGW-ZMSDIMECSA-N 0 3 277.408 3.699 20 10 CHCDHN CCCCN(C)Cc1ccc(N(C)C)cc1Cl ZINC001140921875 1131964004 /nfs/dbraw/zinc/96/40/04/1131964004.db2.gz UBCNSVQCSSXZGQ-UHFFFAOYSA-N 0 3 254.805 3.638 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2c(F)cccc2C1)c1ccccc1[O-] ZINC001171404103 1131970144 /nfs/dbraw/zinc/97/01/44/1131970144.db2.gz FPHQRZAMGKXTJS-GXTWGEPZSA-N 0 3 285.362 3.739 20 10 CHCDHN COc1cccc([C@H]2CC[N@H+](Cc3ccc(C)cc3[O-])C2)c1 ZINC001140954457 1131972493 /nfs/dbraw/zinc/97/24/93/1131972493.db2.gz SGGYKGAGBDFLAA-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cccc([C@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])C2)c1 ZINC001140954457 1131972495 /nfs/dbraw/zinc/97/24/95/1131972495.db2.gz SGGYKGAGBDFLAA-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN Cc1ccc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)c([O-])c1 ZINC001140957467 1131974089 /nfs/dbraw/zinc/97/40/89/1131974089.db2.gz ACNSWEDQGYVQHW-UHFFFAOYSA-N 0 3 281.399 3.994 20 10 CHCDHN Cc1ccc(C[N@H+]2Cc3ccccc3C(C)(C)C2)c([O-])c1 ZINC001140957467 1131974092 /nfs/dbraw/zinc/97/40/92/1131974092.db2.gz ACNSWEDQGYVQHW-UHFFFAOYSA-N 0 3 281.399 3.994 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cccc(F)c1)c1ccccc1[O-] ZINC000036778658 1131974919 /nfs/dbraw/zinc/97/49/19/1131974919.db2.gz ZZEDWCJCECLQBE-MRXNPFEDSA-N 0 3 273.351 3.815 20 10 CHCDHN C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccccc1[O-] ZINC000036937509 1131983637 /nfs/dbraw/zinc/98/36/37/1131983637.db2.gz KHAVOQQFSYPDEZ-LBPRGKRZSA-N 0 3 275.779 3.766 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)c([O-])c1 ZINC000036993357 1131985909 /nfs/dbraw/zinc/98/59/09/1131985909.db2.gz MAGZFBCGIFBTTF-STQMWFEESA-N 0 3 259.349 3.575 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCS2)c([O-])c1 ZINC000715698582 1131989980 /nfs/dbraw/zinc/98/99/80/1131989980.db2.gz SIZAHPNTWVGVAP-STQMWFEESA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(N(C)CC)cc1 ZINC001171778858 1132095506 /nfs/dbraw/zinc/09/55/06/1132095506.db2.gz QULLHEQMNXDWPE-AEFFLSMTSA-N 0 3 290.451 3.532 20 10 CHCDHN C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C[C@@H]1C ZINC001172379578 1132171532 /nfs/dbraw/zinc/17/15/32/1132171532.db2.gz ORFCPCVCZOOULJ-VNHYZAJKSA-N 0 3 259.393 3.575 20 10 CHCDHN C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C[C@@H]1C ZINC001172379578 1132171535 /nfs/dbraw/zinc/17/15/35/1132171535.db2.gz ORFCPCVCZOOULJ-VNHYZAJKSA-N 0 3 259.393 3.575 20 10 CHCDHN C[C@H]1CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231467504 1132297382 /nfs/dbraw/zinc/29/73/82/1132297382.db2.gz HKAMRGBSCCXKHJ-AWEZNQCLSA-N 0 3 283.371 3.565 20 10 CHCDHN C[C@H]1CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231467504 1132297390 /nfs/dbraw/zinc/29/73/90/1132297390.db2.gz HKAMRGBSCCXKHJ-AWEZNQCLSA-N 0 3 283.371 3.565 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)C1(OC)CCC1)c1ccc(C)cc1[O-] ZINC000840883912 1132302811 /nfs/dbraw/zinc/30/28/11/1132302811.db2.gz HDLCQBRRDONMCR-HIFRSBDPSA-N 0 3 277.408 3.699 20 10 CHCDHN Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1c(C)cc(C)cc1[O-])CC2 ZINC001172832205 1132325888 /nfs/dbraw/zinc/32/58/88/1132325888.db2.gz REDUAPHVJXPSBF-SFHVURJKSA-N 0 3 295.426 3.965 20 10 CHCDHN Cc1cc(C)c(CN2CCc3cc(F)ccc3C2)c(O)c1 ZINC001231848688 1132379230 /nfs/dbraw/zinc/37/92/30/1132379230.db2.gz JKKYNMZJZWQEJS-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2CCC(F)CC2)c1 ZINC000842929412 1132477507 /nfs/dbraw/zinc/47/75/07/1132477507.db2.gz PYDHQBUSUVVRJV-HSBZDZAISA-N 0 3 265.372 3.880 20 10 CHCDHN C[C@@H]([NH2+]CC1CCC(F)CC1)c1ccccc1[O-] ZINC000842929698 1132477517 /nfs/dbraw/zinc/47/75/17/1132477517.db2.gz RKXXSLZDRNBFDE-PNESKVBLSA-N 0 3 251.345 3.571 20 10 CHCDHN C[C@@H]1C[C@H](F)CN1Cc1cccc(C(C)(C)C)c1O ZINC001143103856 1132502471 /nfs/dbraw/zinc/50/24/71/1132502471.db2.gz LXMYJEGWQKZJTE-YPMHNXCESA-N 0 3 265.372 3.622 20 10 CHCDHN CC(C)C[NH+](Cc1ccc(N(C)C)cc1[O-])CC(C)C ZINC001232834117 1132529317 /nfs/dbraw/zinc/52/93/17/1132529317.db2.gz HCMZAVSLDNMPNG-UHFFFAOYSA-N 0 3 278.440 3.572 20 10 CHCDHN CC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233193796 1132578384 /nfs/dbraw/zinc/57/83/84/1132578384.db2.gz FQAQUKTVDLJZAX-UHFFFAOYSA-N 0 3 294.192 3.760 20 10 CHCDHN CC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233193796 1132578392 /nfs/dbraw/zinc/57/83/92/1132578392.db2.gz FQAQUKTVDLJZAX-UHFFFAOYSA-N 0 3 294.192 3.760 20 10 CHCDHN [O-]c1ccc2cc(Br)ccc2c1C[NH+]1CCC1 ZINC001233194077 1132579006 /nfs/dbraw/zinc/57/90/06/1132579006.db2.gz LFHYNNZCWJSKOP-UHFFFAOYSA-N 0 3 292.176 3.514 20 10 CHCDHN Nc1ccc(N(c2ccccc2)C2=CNCCC2)cc1 ZINC001159703224 1132895778 /nfs/dbraw/zinc/89/57/78/1132895778.db2.gz AZAVGLOSAOXOKL-UHFFFAOYSA-N 0 3 265.360 3.632 20 10 CHCDHN C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccs1)c1ccccc1[O-] ZINC001203536309 1133336556 /nfs/dbraw/zinc/33/65/56/1133336556.db2.gz OCVXQPKDSCILNH-LLVKDONJSA-N 0 3 299.399 3.695 20 10 CHCDHN COc1ccc(C2=CC[N@H+](Cc3ccccc3[O-])CC2)cc1 ZINC001203560546 1133339968 /nfs/dbraw/zinc/33/99/68/1133339968.db2.gz CFIQXFIXMROJFL-UHFFFAOYSA-N 0 3 295.382 3.690 20 10 CHCDHN COc1ccc(C2=CC[N@@H+](Cc3ccccc3[O-])CC2)cc1 ZINC001203560546 1133339973 /nfs/dbraw/zinc/33/99/73/1133339973.db2.gz CFIQXFIXMROJFL-UHFFFAOYSA-N 0 3 295.382 3.690 20 10 CHCDHN CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(OC)cc1[O-] ZINC001203628997 1133345930 /nfs/dbraw/zinc/34/59/30/1133345930.db2.gz NANWTROLILLUOX-SFHVURJKSA-N 0 3 297.398 3.910 20 10 CHCDHN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OC)cc1[O-] ZINC001203628997 1133345936 /nfs/dbraw/zinc/34/59/36/1133345936.db2.gz NANWTROLILLUOX-SFHVURJKSA-N 0 3 297.398 3.910 20 10 CHCDHN CC(C)[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204272272 1133427721 /nfs/dbraw/zinc/42/77/21/1133427721.db2.gz LPGUJZJNQIGFPZ-UHFFFAOYSA-N 0 3 271.360 3.508 20 10 CHCDHN CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204272272 1133427725 /nfs/dbraw/zinc/42/77/25/1133427725.db2.gz LPGUJZJNQIGFPZ-UHFFFAOYSA-N 0 3 271.360 3.508 20 10 CHCDHN F[C@H]1CCCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204325648 1133438383 /nfs/dbraw/zinc/43/83/83/1133438383.db2.gz SNQYLMPSBVFDJE-INIZCTEOSA-N 0 3 276.399 3.611 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1C ZINC001204354483 1133439986 /nfs/dbraw/zinc/43/99/86/1133439986.db2.gz FSNFKOYNHHQLSB-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1C ZINC001204354483 1133439988 /nfs/dbraw/zinc/43/99/88/1133439988.db2.gz FSNFKOYNHHQLSB-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1C ZINC001205095295 1133529280 /nfs/dbraw/zinc/52/92/80/1133529280.db2.gz BAMATVANSPFGTM-UHFFFAOYSA-N 0 3 297.398 3.663 20 10 CHCDHN CCC[C@H]([NH2+]Cc1ccc(OC)cc1[O-])[C@H]1CC1(C)C ZINC001205517482 1133584452 /nfs/dbraw/zinc/58/44/52/1133584452.db2.gz QYWAUFVBWGGTCP-CABCVRRESA-N 0 3 277.408 3.705 20 10 CHCDHN COc1cc(CN2CC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC001206186043 1133669557 /nfs/dbraw/zinc/66/95/57/1133669557.db2.gz HIVLFLVKJZRHPS-UHFFFAOYSA-N 0 3 289.419 3.684 20 10 CHCDHN Cc1ccc(CC[N@@H+]2Cc3cccc([O-])c3C2)cc1C ZINC001207243890 1133782146 /nfs/dbraw/zinc/78/21/46/1133782146.db2.gz SXRQPPSCLGJMGA-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1ccc(CC[N@H+]2Cc3cccc([O-])c3C2)cc1C ZINC001207243890 1133782152 /nfs/dbraw/zinc/78/21/52/1133782152.db2.gz SXRQPPSCLGJMGA-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN CC(C)c1ccc([O-])c(C[NH2+]C2(CCO)CCCCC2)c1 ZINC001207439482 1133802525 /nfs/dbraw/zinc/80/25/25/1133802525.db2.gz FEEMDPIBQPGONC-UHFFFAOYSA-N 0 3 291.435 3.691 20 10 CHCDHN Cc1ccc([C@H](C)CC[N@@H+]2CCc3cccc([O-])c3C2)o1 ZINC001208165850 1133893063 /nfs/dbraw/zinc/89/30/63/1133893063.db2.gz HFDHGCUQRCLRHV-CYBMUJFWSA-N 0 3 285.387 3.846 20 10 CHCDHN Cc1ccc([C@H](C)CC[N@H+]2CCc3cccc([O-])c3C2)o1 ZINC001208165850 1133893067 /nfs/dbraw/zinc/89/30/67/1133893067.db2.gz HFDHGCUQRCLRHV-CYBMUJFWSA-N 0 3 285.387 3.846 20 10 CHCDHN CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001208184004 1133901262 /nfs/dbraw/zinc/90/12/62/1133901262.db2.gz ZMQNCEMLDDXNEK-GDBMZVCRSA-N 0 3 271.404 3.743 20 10 CHCDHN CC1=C[C@@H](C)[C@@H](C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001208184004 1133901267 /nfs/dbraw/zinc/90/12/67/1133901267.db2.gz ZMQNCEMLDDXNEK-GDBMZVCRSA-N 0 3 271.404 3.743 20 10 CHCDHN COc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2[O-])c1 ZINC000179555293 1134549278 /nfs/dbraw/zinc/54/92/78/1134549278.db2.gz ZLVHYTJMEOQIIC-QGZVFWFLSA-N 0 3 283.371 3.738 20 10 CHCDHN COc1cccc([C@H]2CCC[N@H+]2Cc2ccccc2[O-])c1 ZINC000179555293 1134549283 /nfs/dbraw/zinc/54/92/83/1134549283.db2.gz ZLVHYTJMEOQIIC-QGZVFWFLSA-N 0 3 283.371 3.738 20 10 CHCDHN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1[O-] ZINC000403514716 1134791160 /nfs/dbraw/zinc/79/11/60/1134791160.db2.gz NJWSVGQIELUEPC-FLTXBFBQSA-N 0 3 277.433 3.860 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(F)(F)CC1 ZINC000404790416 1134948958 /nfs/dbraw/zinc/94/89/58/1134948958.db2.gz OBNQEMWJFFGICV-UHFFFAOYSA-N 0 3 277.314 3.777 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCOC1CCCCC1)CC2 ZINC000315450343 1135154395 /nfs/dbraw/zinc/15/43/95/1135154395.db2.gz KFMXZHCHFQVGIW-INIZCTEOSA-N 0 3 289.419 3.709 20 10 CHCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H](C)c1ccccn1 ZINC000020123636 171005021 /nfs/dbraw/zinc/00/50/21/171005021.db2.gz VJCKLPAXBOICMR-KCQAQPDRSA-N 0 3 282.387 3.995 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000020129743 171018404 /nfs/dbraw/zinc/01/84/04/171018404.db2.gz JAMZRKGHGBRESE-LRDDRELGSA-N 0 3 253.345 3.730 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccccc1[O-] ZINC000020137108 171024535 /nfs/dbraw/zinc/02/45/35/171024535.db2.gz NHTSKVCAGUVVSE-ZIAGYGMSSA-N 0 3 255.361 3.847 20 10 CHCDHN C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000020138332 171026196 /nfs/dbraw/zinc/02/61/96/171026196.db2.gz KKGSJYLIMHXEIT-AWEZNQCLSA-N 0 3 255.361 3.503 20 10 CHCDHN C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020144726 171030253 /nfs/dbraw/zinc/03/02/53/171030253.db2.gz XJTOQXRKKKWXJF-OLZOCXBDSA-N 0 3 259.349 3.657 20 10 CHCDHN CN(C)c1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000020146133 171032139 /nfs/dbraw/zinc/03/21/39/171032139.db2.gz MGKZJDFDSXWQRA-UHFFFAOYSA-N 0 3 280.824 3.757 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000020209787 171073459 /nfs/dbraw/zinc/07/34/59/171073459.db2.gz SKDXRCNRHCHLMH-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(Cl)cc2)c1 ZINC000020209787 171073462 /nfs/dbraw/zinc/07/34/62/171073462.db2.gz SKDXRCNRHCHLMH-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(F)c1)c1ccccc1[O-] ZINC000020473377 171217418 /nfs/dbraw/zinc/21/74/18/171217418.db2.gz NLUQIZXRCZUQQS-HNNXBMFYSA-N 0 3 259.324 3.772 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccccc1[O-] ZINC000038041697 174043473 /nfs/dbraw/zinc/04/34/73/174043473.db2.gz DTAZCMRKBWMRGF-NVXWUHKLSA-N 0 3 290.451 3.555 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000071406552 176155746 /nfs/dbraw/zinc/15/57/46/176155746.db2.gz DKZASJDPAVRMFL-CQSZACIVSA-N 0 3 255.361 3.594 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2cccs2)c1 ZINC000035628677 260152108 /nfs/dbraw/zinc/15/21/08/260152108.db2.gz MYZZWMAXUQJMDU-GFCCVEGCSA-N 0 3 261.390 3.655 20 10 CHCDHN COc1cccc(CN2CCC[C@@H]2c2ccsc2)c1O ZINC000153552092 261080543 /nfs/dbraw/zinc/08/05/43/261080543.db2.gz NOLKLKGXDRVZDL-CQSZACIVSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c1[O-] ZINC000153552092 261080544 /nfs/dbraw/zinc/08/05/44/261080544.db2.gz NOLKLKGXDRVZDL-CQSZACIVSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H]2c2ccsc2)c1[O-] ZINC000153552092 261080546 /nfs/dbraw/zinc/08/05/46/261080546.db2.gz NOLKLKGXDRVZDL-CQSZACIVSA-N 0 3 289.400 3.799 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccccc1[O-] ZINC000156356508 261120665 /nfs/dbraw/zinc/12/06/65/261120665.db2.gz YBPRIDHDCNXACH-AWEZNQCLSA-N 0 3 290.794 3.724 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)c1c(C)noc1C)c1ccccc1[O-] ZINC000156866638 261133822 /nfs/dbraw/zinc/13/38/22/261133822.db2.gz AJVHYHUHAAZGAY-IAQYHMDHSA-N 0 3 288.391 3.841 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1)c1ccccc1[O-] ZINC000156862034 261134157 /nfs/dbraw/zinc/13/41/57/261134157.db2.gz JWAYUQBKWXXYTF-QGZVFWFLSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c([O-])c1C ZINC000157885722 261155083 /nfs/dbraw/zinc/15/50/83/261155083.db2.gz IXMIHGNVQVAYBV-KMFMINBZSA-N 0 3 289.419 3.617 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000184911658 262033244 /nfs/dbraw/zinc/03/32/44/262033244.db2.gz NPYZZOFHEJRTPK-CYBMUJFWSA-N 0 3 273.351 3.999 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1F ZINC000184927979 262033884 /nfs/dbraw/zinc/03/38/84/262033884.db2.gz KKRDIPIBWIZOHE-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)c([O-])c1 ZINC000185074202 262040081 /nfs/dbraw/zinc/04/00/81/262040081.db2.gz VDTKTRXMVYQCRU-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN CCOc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185103758 262040926 /nfs/dbraw/zinc/04/09/26/262040926.db2.gz WKMCIVOBACGZDZ-GFCCVEGCSA-N 0 3 289.350 3.781 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c([O-])c1 ZINC000185120283 262042646 /nfs/dbraw/zinc/04/26/46/262042646.db2.gz SLPVOQZRELCGNB-KGLIPLIRSA-N 0 3 285.387 3.605 20 10 CHCDHN COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])ccc1C ZINC000185193167 262045035 /nfs/dbraw/zinc/04/50/35/262045035.db2.gz QHVMTCAASQMCSJ-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185501722 262056946 /nfs/dbraw/zinc/05/69/46/262056946.db2.gz TVWSZVLNEBLQAA-RYUDHWBXSA-N 0 3 288.391 3.587 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000186129083 262081219 /nfs/dbraw/zinc/08/12/19/262081219.db2.gz FTQATLPYURFWKM-LSDHHAIUSA-N 0 3 289.419 3.843 20 10 CHCDHN COc1cc(C)cc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000186156136 262082089 /nfs/dbraw/zinc/08/20/89/262082089.db2.gz KQVNAZAHIYUUSU-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(Cl)cn2)c(O)c1 ZINC000186230077 262085491 /nfs/dbraw/zinc/08/54/91/262085491.db2.gz SLMXCLLJINQKJQ-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN CSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000282482058 263077023 /nfs/dbraw/zinc/07/70/23/263077023.db2.gz VKRPNNZUZHWYFC-LBPRGKRZSA-N 0 3 273.401 3.965 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2)c1[O-] ZINC000037770031 326861072 /nfs/dbraw/zinc/86/10/72/326861072.db2.gz JGHSCASIJSJKCV-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000403399834 327331114 /nfs/dbraw/zinc/33/11/14/327331114.db2.gz OMJAJUZTWRGQTM-GRYCIOLGSA-N 0 3 295.810 3.580 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000377587046 329019473 /nfs/dbraw/zinc/01/94/73/329019473.db2.gz LQAOJSDYFQZANJ-IDHHARJASA-N 0 3 297.398 3.963 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000377587047 329019610 /nfs/dbraw/zinc/01/96/10/329019610.db2.gz LQAOJSDYFQZANJ-ZSZQSSIHSA-N 0 3 297.398 3.963 20 10 CHCDHN COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000378629393 329057055 /nfs/dbraw/zinc/05/70/55/329057055.db2.gz DJZVSASDSGFIDJ-BLLLJJGKSA-N 0 3 299.370 3.575 20 10 CHCDHN COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000378630016 329057242 /nfs/dbraw/zinc/05/72/42/329057242.db2.gz GDCKPYDHAMOMDM-SWLSCSKDSA-N 0 3 299.370 3.575 20 10 CHCDHN C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184569727 329259945 /nfs/dbraw/zinc/25/99/45/329259945.db2.gz GVHHDCFXEAUEEC-BLLLJJGKSA-N 0 3 286.350 3.509 20 10 CHCDHN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184569727 329259946 /nfs/dbraw/zinc/25/99/46/329259946.db2.gz GVHHDCFXEAUEEC-BLLLJJGKSA-N 0 3 286.350 3.509 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccnc1C)c1ccc(C)cc1[O-] ZINC000527984789 330298642 /nfs/dbraw/zinc/29/86/42/330298642.db2.gz DRDVBCPGSRQQCP-MRXNPFEDSA-N 0 3 270.376 3.645 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000134230259 334084928 /nfs/dbraw/zinc/08/49/28/334084928.db2.gz XOSDZVHOOBGKNV-HNNXBMFYSA-N 0 3 273.763 3.823 20 10 CHCDHN CC(C)n1ncc2c1[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CCC2 ZINC000364882159 520076623 /nfs/dbraw/zinc/07/66/23/520076623.db2.gz KNAYBMFJKVPRCI-BBRMVZONSA-N 0 3 299.418 3.898 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NC2CC(F)(F)C2)cc1 ZINC000277046450 520285519 /nfs/dbraw/zinc/28/55/19/520285519.db2.gz GPDOYCBAOVMOTQ-LLVKDONJSA-N 0 3 268.351 3.591 20 10 CHCDHN CCN(CC)c1ccc(CN[C@H](C)c2cccnc2)cc1 ZINC000020127954 520910334 /nfs/dbraw/zinc/91/03/34/520910334.db2.gz HNXQYKURAGNWNY-OAHLLOKOSA-N 0 3 283.419 3.779 20 10 CHCDHN CCCc1cccc(C[NH2+]Cc2cccc(OC)c2[O-])c1 ZINC000289379005 521430834 /nfs/dbraw/zinc/43/08/34/521430834.db2.gz CCAGKCLCFFMCKE-UHFFFAOYSA-N 0 3 285.387 3.643 20 10 CHCDHN CCC[N@H+](CCc1ccccn1)Cc1cccc(C)c1[O-] ZINC000289756474 521673327 /nfs/dbraw/zinc/67/33/27/521673327.db2.gz JMCYBDSHSGVAMS-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN CCC[N@@H+](CCc1ccccn1)Cc1cccc(C)c1[O-] ZINC000289756474 521673329 /nfs/dbraw/zinc/67/33/29/521673329.db2.gz JMCYBDSHSGVAMS-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN CCOCCCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000279930648 521704304 /nfs/dbraw/zinc/70/43/04/521704304.db2.gz ARNSQFFZYDFONO-OAHLLOKOSA-N 0 3 265.397 3.558 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280270781 522597852 /nfs/dbraw/zinc/59/78/52/522597852.db2.gz XUXJESBEFNCECX-HOCLYGCPSA-N 0 3 277.408 3.701 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(C)cc1[O-] ZINC000279970150 522614298 /nfs/dbraw/zinc/61/42/98/522614298.db2.gz CYPHWHCLYKRUAZ-GOEBONIOSA-N 0 3 291.416 3.536 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(C)cc1[O-] ZINC000280082569 522634995 /nfs/dbraw/zinc/63/49/95/522634995.db2.gz LUIDMGJGQHUAHK-JSGCOSHPSA-N 0 3 297.489 3.590 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1ccccc1[O-] ZINC000274930813 522719970 /nfs/dbraw/zinc/71/99/70/522719970.db2.gz QUTGWAOXVKXKTI-UKPHBRMFSA-N 0 3 277.408 3.637 20 10 CHCDHN CC[C@@H](NC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000277193494 522810302 /nfs/dbraw/zinc/81/03/02/522810302.db2.gz VCEQWAATCBDQQJ-CQSZACIVSA-N 0 3 268.351 3.591 20 10 CHCDHN CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccccc1[O-] ZINC000274741694 522820067 /nfs/dbraw/zinc/82/00/67/522820067.db2.gz FKWHEGNLOLHTGY-GDBMZVCRSA-N 0 3 291.435 3.622 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccccc1[O-] ZINC000289846632 522867575 /nfs/dbraw/zinc/86/75/75/522867575.db2.gz BBSPWPUSPVSTJL-XJKSGUPXSA-N 0 3 283.371 3.609 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000280221006 522885000 /nfs/dbraw/zinc/88/50/00/522885000.db2.gz USONZRXMGAJUNX-MRXNPFEDSA-N 0 3 255.361 3.942 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(C)cc1[O-] ZINC000280272573 522949571 /nfs/dbraw/zinc/94/95/71/522949571.db2.gz YABYPQNEXFHBIX-CVEARBPZSA-N 0 3 299.418 3.552 20 10 CHCDHN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000290488833 523121938 /nfs/dbraw/zinc/12/19/38/523121938.db2.gz OMTGQLULWYBLJN-KRWDZBQOSA-N 0 3 284.403 3.987 20 10 CHCDHN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000290488833 523121947 /nfs/dbraw/zinc/12/19/47/523121947.db2.gz OMTGQLULWYBLJN-KRWDZBQOSA-N 0 3 284.403 3.987 20 10 CHCDHN Cc1cc(C)c([C@H](C)NCc2cccc3c2OCO3)c(O)c1 ZINC000293242534 524333807 /nfs/dbraw/zinc/33/38/07/524333807.db2.gz BGGISYGKRZYDFW-ZDUSSCGKSA-N 0 3 299.370 3.589 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])s1 ZINC000094618036 524602471 /nfs/dbraw/zinc/60/24/71/524602471.db2.gz APXWKRYNTABCFR-SNVBAGLBSA-N 0 3 265.353 3.752 20 10 CHCDHN COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616808 524724499 /nfs/dbraw/zinc/72/44/99/524724499.db2.gz HBECQTMPITVVQH-VXGBXAGGSA-N 0 3 289.350 3.952 20 10 CHCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)c2cccs2)c1 ZINC000127068696 524751244 /nfs/dbraw/zinc/75/12/44/524751244.db2.gz BBSVEWCQXPFESZ-UHFFFAOYSA-N 0 3 291.416 3.530 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c1 ZINC000071407902 525351802 /nfs/dbraw/zinc/35/18/02/525351802.db2.gz XXUWXZFAPJRCOR-AWEZNQCLSA-N 0 3 285.387 3.517 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000070869295 525446072 /nfs/dbraw/zinc/44/60/72/525446072.db2.gz ZXJVUBAKBTXNTP-ZDUSSCGKSA-N 0 3 299.374 3.512 20 10 CHCDHN C[C@@H](NCc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000049577475 525523773 /nfs/dbraw/zinc/52/37/73/525523773.db2.gz QFAMJDGZKZATJY-GFCCVEGCSA-N 0 3 290.357 3.882 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccccc1[O-] ZINC000037140278 525595107 /nfs/dbraw/zinc/59/51/07/525595107.db2.gz KVFOKGGRXHSFIB-UONOGXRCSA-N 0 3 285.387 3.770 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000094616548 525658153 /nfs/dbraw/zinc/65/81/53/525658153.db2.gz CYAKLAOOEDQXMZ-VXGBXAGGSA-N 0 3 259.324 3.943 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCc2occc21)c1cc(F)ccc1[O-] ZINC000094617008 525681606 /nfs/dbraw/zinc/68/16/06/525681606.db2.gz SOIPIERAOFOPDQ-YGRLFVJLSA-N 0 3 275.323 3.853 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)c([O-])c1C ZINC000297255608 525725432 /nfs/dbraw/zinc/72/54/32/525725432.db2.gz JPNPYKKOGDOGOW-LLVKDONJSA-N 0 3 257.324 3.705 20 10 CHCDHN Cc1cccc(C[N@@H+](Cc2ccccn2)CC(C)C)c1[O-] ZINC000055182847 570241272 /nfs/dbraw/zinc/24/12/72/570241272.db2.gz WNIYHVQRDXMURH-UHFFFAOYSA-N 0 3 284.403 3.754 20 10 CHCDHN Cc1cccc(C[N@H+](Cc2ccccn2)CC(C)C)c1[O-] ZINC000055182847 570241273 /nfs/dbraw/zinc/24/12/73/570241273.db2.gz WNIYHVQRDXMURH-UHFFFAOYSA-N 0 3 284.403 3.754 20 10 CHCDHN Cc1cccnc1[C@H](NCc1ccc(N(C)C)cc1)C(C)C ZINC000115623022 1125505730 /nfs/dbraw/zinc/50/57/30/1125505730.db2.gz UGUZVLORGFHYHX-GOSISDBHSA-N 0 3 297.446 3.943 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000310933172 1120500896 /nfs/dbraw/zinc/50/08/96/1120500896.db2.gz HYLYWDQSTWIZQB-PWSUYJOCSA-N 0 3 255.308 3.621 20 10 CHCDHN CC[C@@H]([NH2+]CCC1(CSC)CC1)c1ccccc1[O-] ZINC000850506735 1123276679 /nfs/dbraw/zinc/27/66/79/1123276679.db2.gz LAGMUSPUMBJUSF-CQSZACIVSA-N 0 3 279.449 3.966 20 10 CHCDHN COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000134230711 1125544594 /nfs/dbraw/zinc/54/45/94/1125544594.db2.gz CPEGTZYRARTYBP-AWEZNQCLSA-N 0 3 285.387 3.512 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCCC[C@H]2CC)c1[O-] ZINC000135644505 1125594297 /nfs/dbraw/zinc/59/42/97/1125594297.db2.gz BNLKLFHULVBCKF-OAHLLOKOSA-N 0 3 277.408 3.946 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCCC[C@H]2CC)c1[O-] ZINC000135644505 1125594302 /nfs/dbraw/zinc/59/43/02/1125594302.db2.gz BNLKLFHULVBCKF-OAHLLOKOSA-N 0 3 277.408 3.946 20 10 CHCDHN CCOc1cccc(C[N@H+]2[C@H](CC)CC[C@@H]2C)c1[O-] ZINC000136821571 1125647738 /nfs/dbraw/zinc/64/77/38/1125647738.db2.gz QXRZNKQAVXPVON-GXTWGEPZSA-N 0 3 263.381 3.554 20 10 CHCDHN CCOc1cccc(C[N@@H+]2[C@H](CC)CC[C@@H]2C)c1[O-] ZINC000136821571 1125647740 /nfs/dbraw/zinc/64/77/40/1125647740.db2.gz QXRZNKQAVXPVON-GXTWGEPZSA-N 0 3 263.381 3.554 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1cc(F)ccc1[O-] ZINC000886731099 1125713698 /nfs/dbraw/zinc/71/36/98/1125713698.db2.gz UZTVSOKTRJJNEM-GXTWGEPZSA-N 0 3 293.382 3.531 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000300416155 1125726166 /nfs/dbraw/zinc/72/61/66/1125726166.db2.gz LPMLKPNHKOSOPK-OLZOCXBDSA-N 0 3 263.356 3.543 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000300416155 1125726176 /nfs/dbraw/zinc/72/61/76/1125726176.db2.gz LPMLKPNHKOSOPK-OLZOCXBDSA-N 0 3 263.356 3.543 20 10 CHCDHN CSc1cc(C)cc(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001238681239 1131231382 /nfs/dbraw/zinc/23/13/82/1131231382.db2.gz HPWGQSPGMCNXPP-UHFFFAOYSA-N 0 3 299.439 3.981 20 10 CHCDHN CSc1cc(C)cc(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001238681239 1131231383 /nfs/dbraw/zinc/23/13/83/1131231383.db2.gz HPWGQSPGMCNXPP-UHFFFAOYSA-N 0 3 299.439 3.981 20 10 CHCDHN CCC[N@H+](Cc1scnc1C)Cc1ccccc1[O-] ZINC000092705057 1125761811 /nfs/dbraw/zinc/76/18/11/1125761811.db2.gz OSZWFFFKWOEIPU-UHFFFAOYSA-N 0 3 276.405 3.569 20 10 CHCDHN CCC[N@@H+](Cc1scnc1C)Cc1ccccc1[O-] ZINC000092705057 1125761816 /nfs/dbraw/zinc/76/18/16/1125761816.db2.gz OSZWFFFKWOEIPU-UHFFFAOYSA-N 0 3 276.405 3.569 20 10 CHCDHN C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617884 1129448239 /nfs/dbraw/zinc/44/82/39/1129448239.db2.gz CKBYQARLIPUVJS-GHMZBOCLSA-N 0 3 279.380 3.875 20 10 CHCDHN CCCC[N@H+](C/C=C\Cl)Cc1ccccc1[O-] ZINC000801597719 1129931791 /nfs/dbraw/zinc/93/17/91/1129931791.db2.gz NGFJTTVEMQAFTA-TWGQIWQCSA-N 0 3 253.773 3.747 20 10 CHCDHN CCCC[N@@H+](C/C=C\Cl)Cc1ccccc1[O-] ZINC000801597719 1129931795 /nfs/dbraw/zinc/93/17/95/1129931795.db2.gz NGFJTTVEMQAFTA-TWGQIWQCSA-N 0 3 253.773 3.747 20 10 CHCDHN O=C(C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-])c1ccccc1 ZINC000179580165 1126831153 /nfs/dbraw/zinc/83/11/53/1126831153.db2.gz GAWAOEMWSXRRBI-KRWDZBQOSA-N 0 3 295.382 3.630 20 10 CHCDHN O=C(C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-])c1ccccc1 ZINC000179580165 1126831155 /nfs/dbraw/zinc/83/11/55/1126831155.db2.gz GAWAOEMWSXRRBI-KRWDZBQOSA-N 0 3 295.382 3.630 20 10 CHCDHN CCN(CC)c1ccc(CN(C)Cc2ccncc2)cc1 ZINC000180866578 1126849303 /nfs/dbraw/zinc/84/93/03/1126849303.db2.gz SMNHQUPTBAODCZ-UHFFFAOYSA-N 0 3 283.419 3.560 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])s1 ZINC000183198790 1126882767 /nfs/dbraw/zinc/88/27/67/1126882767.db2.gz TUTJPWQMBPHLHA-MWLCHTKSSA-N 0 3 294.395 3.751 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000183504727 1126887438 /nfs/dbraw/zinc/88/74/38/1126887438.db2.gz NJDYZEUBTUQLHF-KGLIPLIRSA-N 0 3 283.371 3.609 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccccc1[O-] ZINC000183599209 1126889759 /nfs/dbraw/zinc/88/97/59/1126889759.db2.gz LBRLDGFOJGJWAR-XHDPSFHLSA-N 0 3 287.334 3.706 20 10 CHCDHN C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccccc1O ZINC000183599209 1126889762 /nfs/dbraw/zinc/88/97/62/1126889762.db2.gz LBRLDGFOJGJWAR-XHDPSFHLSA-N 0 3 287.334 3.706 20 10 CHCDHN CC[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccccc1[O-] ZINC000187889856 1126917007 /nfs/dbraw/zinc/91/70/07/1126917007.db2.gz JIFSWMOEHAFFKU-HKUYNNGSSA-N 0 3 299.414 3.731 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(C)cc1[O-] ZINC000286973784 1127278163 /nfs/dbraw/zinc/27/81/63/1127278163.db2.gz IQLGVXJTEMWDSR-DZGCQCFKSA-N 0 3 279.449 3.885 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1F ZINC000226582995 1127411716 /nfs/dbraw/zinc/41/17/16/1127411716.db2.gz MRSPOVDWLPPERG-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN COc1cc(C)c(C[NH2+]CC2CCCCCC2)c([O-])c1 ZINC001308766593 1127463185 /nfs/dbraw/zinc/46/31/85/1127463185.db2.gz MVQRVQYTCQGICD-UHFFFAOYSA-N 0 3 277.408 3.769 20 10 CHCDHN C[C@@H](Cc1cccs1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295974601 1129220796 /nfs/dbraw/zinc/22/07/96/1129220796.db2.gz MVIULIGRMYTHOM-FZMZJTMJSA-N 0 3 273.401 3.662 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c([O-])c1 ZINC000926917658 1128202724 /nfs/dbraw/zinc/20/27/24/1128202724.db2.gz CQNDVIYWGSNZDO-UONOGXRCSA-N 0 3 297.398 3.875 20 10 CHCDHN COC/C(C)=C\C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929635276 1128280275 /nfs/dbraw/zinc/28/02/75/1128280275.db2.gz IMUKOYSTXTVPMX-PTNGSMBKSA-N 0 3 289.419 3.730 20 10 CHCDHN COC/C(C)=C\C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929635276 1128280277 /nfs/dbraw/zinc/28/02/77/1128280277.db2.gz IMUKOYSTXTVPMX-PTNGSMBKSA-N 0 3 289.419 3.730 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)c2c1c(F)ccc2[O-] ZINC000762776131 1128318207 /nfs/dbraw/zinc/31/82/07/1128318207.db2.gz CWGSATOMNRNBJG-MEDUHNTESA-N 0 3 297.373 3.837 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)Cc1cccc(F)c1 ZINC001168499305 1128340505 /nfs/dbraw/zinc/34/05/05/1128340505.db2.gz YSNTUAOEGIEVTK-CQSZACIVSA-N 0 3 287.378 3.984 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)Cc1cccc(F)c1 ZINC001168499305 1128340509 /nfs/dbraw/zinc/34/05/09/1128340509.db2.gz YSNTUAOEGIEVTK-CQSZACIVSA-N 0 3 287.378 3.984 20 10 CHCDHN CC(C)(C)c1ccc(CN2CCC[C@H](F)C2)c(O)c1 ZINC001235677152 1128347278 /nfs/dbraw/zinc/34/72/78/1128347278.db2.gz BXYCAHBMEHRQFM-AWEZNQCLSA-N 0 3 265.372 3.624 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1cc(F)ccc1[O-] ZINC000699962102 1128537424 /nfs/dbraw/zinc/53/74/24/1128537424.db2.gz VWCYQXNBOGUOPT-SECBINFHSA-N 0 3 275.314 3.863 20 10 CHCDHN CCc1cnc(CC[NH2+][C@@H](CC)c2ccccc2[O-])s1 ZINC000156088984 1128625380 /nfs/dbraw/zinc/62/53/80/1128625380.db2.gz ISZVXIQFNIFBNQ-AWEZNQCLSA-N 0 3 290.432 3.695 20 10 CHCDHN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779022679 1128685296 /nfs/dbraw/zinc/68/52/96/1128685296.db2.gz FTTMQSNWRPCOEN-GUYCJALGSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779022679 1128685298 /nfs/dbraw/zinc/68/52/98/1128685298.db2.gz FTTMQSNWRPCOEN-GUYCJALGSA-N 0 3 285.362 3.909 20 10 CHCDHN Cc1ccc(CC[C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])o1 ZINC000779088568 1128727675 /nfs/dbraw/zinc/72/76/75/1128727675.db2.gz SAHJPAZNECPMCH-LLVKDONJSA-N 0 3 277.339 3.544 20 10 CHCDHN COc1ccc(CCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185095083 1117761403 /nfs/dbraw/zinc/76/14/03/1117761403.db2.gz IMFNRCKGZCEEPK-OAHLLOKOSA-N 0 3 299.414 3.993 20 10 CHCDHN C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000185472218 1117828725 /nfs/dbraw/zinc/82/87/25/1117828725.db2.gz YDHCUGSVKSFKNS-BLLLJJGKSA-N 0 3 296.430 3.548 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCOCc2ccccc2)c([O-])c1 ZINC000185633168 1117860284 /nfs/dbraw/zinc/86/02/84/1117860284.db2.gz FZOASPSUMWJMNF-OAHLLOKOSA-N 0 3 285.387 3.568 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000185828731 1117913744 /nfs/dbraw/zinc/91/37/44/1117913744.db2.gz WIVUMVGZKUPAQN-RHSMWYFYSA-N 0 3 291.435 3.683 20 10 CHCDHN CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186093732 1117990191 /nfs/dbraw/zinc/99/01/91/1117990191.db2.gz ULNJLEWFMGXBAK-DCGLDWPTSA-N 0 3 295.398 3.633 20 10 CHCDHN Cc1occc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000765395385 1118148435 /nfs/dbraw/zinc/14/84/35/1118148435.db2.gz IJXASYYTFXXNHU-LBPRGKRZSA-N 0 3 258.365 3.505 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2ccoc2C)cc1 ZINC000765398292 1118149398 /nfs/dbraw/zinc/14/93/98/1118149398.db2.gz YOJHGPOVRKKRPP-ZDUSSCGKSA-N 0 3 272.392 3.895 20 10 CHCDHN C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc(F)ccc1[O-] ZINC000188664662 1128763930 /nfs/dbraw/zinc/76/39/30/1128763930.db2.gz PZRPTNKZJJUEBN-SJCJKPOMSA-N 0 3 295.398 3.513 20 10 CHCDHN CC[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccccc1[O-] ZINC000188660408 1128763944 /nfs/dbraw/zinc/76/39/44/1128763944.db2.gz CJFAGPCKXPBMNE-WMZOPIPTSA-N 0 3 291.435 3.764 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000188695857 1128764157 /nfs/dbraw/zinc/76/41/57/1128764157.db2.gz DSUACPLQXIUALE-UHFFFAOYSA-N 0 3 291.391 3.972 20 10 CHCDHN C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccccc1[O-] ZINC000179896309 1128764131 /nfs/dbraw/zinc/76/41/31/1128764131.db2.gz IOFAGQLNYJBMOC-GFCCVEGCSA-N 0 3 267.328 3.989 20 10 CHCDHN COc1cnccc1[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000188782225 1128764975 /nfs/dbraw/zinc/76/49/75/1128764975.db2.gz XYULIXUVXMSLIV-QWHCGFSZSA-N 0 3 286.375 3.516 20 10 CHCDHN C[C@@H](c1ccco1)N(Cc1cc(F)ccc1O)C1CC1 ZINC000179984961 1128769613 /nfs/dbraw/zinc/76/96/13/1128769613.db2.gz LJKUWBRBKPLNPF-NSHDSACASA-N 0 3 275.323 3.850 20 10 CHCDHN CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])C1CCCCC1 ZINC000891438309 1118632132 /nfs/dbraw/zinc/63/21/32/1118632132.db2.gz IVGRPIGQCWNNKF-UHFFFAOYSA-N 0 3 293.407 3.564 20 10 CHCDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])C1CCCCC1 ZINC000891438309 1118632136 /nfs/dbraw/zinc/63/21/36/1118632136.db2.gz IVGRPIGQCWNNKF-UHFFFAOYSA-N 0 3 293.407 3.564 20 10 CHCDHN C[N@H+](CCOC1CCCCCC1)Cc1ccccc1[O-] ZINC000077284290 1118661887 /nfs/dbraw/zinc/66/18/87/1118661887.db2.gz ARVNSODZQIYCLJ-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN C[N@@H+](CCOC1CCCCCC1)Cc1ccccc1[O-] ZINC000077284290 1118661889 /nfs/dbraw/zinc/66/18/89/1118661889.db2.gz ARVNSODZQIYCLJ-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCC1(F)F ZINC000835052569 1118830135 /nfs/dbraw/zinc/83/01/35/1118830135.db2.gz HGIPBKOSEGXUTD-ZRUQZJFASA-N 0 3 294.389 3.743 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccsc1 ZINC000190259212 1128808371 /nfs/dbraw/zinc/80/83/71/1128808371.db2.gz PEDAGZGWMPEMFP-ZDUSSCGKSA-N 0 3 275.417 3.907 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)Cc1ccsc1 ZINC000190259212 1128808375 /nfs/dbraw/zinc/80/83/75/1128808375.db2.gz PEDAGZGWMPEMFP-ZDUSSCGKSA-N 0 3 275.417 3.907 20 10 CHCDHN Cc1csc(C2(NCc3ccccc3O)CCCC2)n1 ZINC000171842834 1128842580 /nfs/dbraw/zinc/84/25/80/1128842580.db2.gz WZNILQMQKCSXDN-UHFFFAOYSA-N 0 3 288.416 3.716 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000179555468 1119751382 /nfs/dbraw/zinc/75/13/82/1119751382.db2.gz QAIAKOMVXIYADA-KRWDZBQOSA-N 0 3 267.372 3.599 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000179555468 1119751386 /nfs/dbraw/zinc/75/13/86/1119751386.db2.gz QAIAKOMVXIYADA-KRWDZBQOSA-N 0 3 267.372 3.599 20 10 CHCDHN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179568947 1119751400 /nfs/dbraw/zinc/75/14/00/1119751400.db2.gz QVGPOCOVRNFJMT-MRXNPFEDSA-N 0 3 283.371 3.738 20 10 CHCDHN COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179568947 1119751403 /nfs/dbraw/zinc/75/14/03/1119751403.db2.gz QVGPOCOVRNFJMT-MRXNPFEDSA-N 0 3 283.371 3.738 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000179556340 1119751709 /nfs/dbraw/zinc/75/17/09/1119751709.db2.gz DDFJRVWORBRUAO-INIZCTEOSA-N 0 3 285.412 3.682 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000179556340 1119751711 /nfs/dbraw/zinc/75/17/11/1119751711.db2.gz DDFJRVWORBRUAO-INIZCTEOSA-N 0 3 285.412 3.682 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187594742 1119906498 /nfs/dbraw/zinc/90/64/98/1119906498.db2.gz OHCCLSUNXKLTPX-CYBMUJFWSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187594742 1119906502 /nfs/dbraw/zinc/90/65/02/1119906502.db2.gz OHCCLSUNXKLTPX-CYBMUJFWSA-N 0 3 289.325 3.660 20 10 CHCDHN CC[C@@H](NCc1cc(F)ccc1F)c1ccccc1O ZINC000107929060 1120063084 /nfs/dbraw/zinc/06/30/84/1120063084.db2.gz OAHXSUXNJSRWRO-OAHLLOKOSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1[O-] ZINC000107929060 1120063091 /nfs/dbraw/zinc/06/30/91/1120063091.db2.gz OAHXSUXNJSRWRO-OAHLLOKOSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1cccc(O)c1 ZINC000179942725 1120258663 /nfs/dbraw/zinc/25/86/63/1120258663.db2.gz SBZHNAUZWJSCRY-LBPRGKRZSA-N 0 3 289.350 3.820 20 10 CHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1cccc(O)c1 ZINC000179942725 1120258666 /nfs/dbraw/zinc/25/86/66/1120258666.db2.gz SBZHNAUZWJSCRY-LBPRGKRZSA-N 0 3 289.350 3.820 20 10 CHCDHN Cc1cccc2[nH]cc(CC[NH2+]Cc3cc(F)ccc3[O-])c21 ZINC000180618236 1120278547 /nfs/dbraw/zinc/27/85/47/1120278547.db2.gz POQLHQUWVSTSNH-UHFFFAOYSA-N 0 3 298.361 3.653 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccsc1 ZINC000922108359 1120368832 /nfs/dbraw/zinc/36/88/32/1120368832.db2.gz PYENCSCHEGEMTM-LBPRGKRZSA-N 0 3 273.401 3.924 20 10 CHCDHN CC1(C)C[NH+](Cc2c([O-])ccc3ccccc32)CC(C)(C)O1 ZINC000318750360 1120375263 /nfs/dbraw/zinc/37/52/63/1120375263.db2.gz OPZAPOLTZSHNMG-UHFFFAOYSA-N 0 3 299.414 3.935 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000186184033 1120392766 /nfs/dbraw/zinc/39/27/66/1120392766.db2.gz KNHPEAHHUPSMFG-WMLDXEAASA-N 0 3 297.398 3.999 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2ccccn2)c([O-])c1 ZINC000692692154 1120488823 /nfs/dbraw/zinc/48/88/23/1120488823.db2.gz QIHTVERSFCESMH-UONOGXRCSA-N 0 3 270.376 3.550 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000019943900 1120552540 /nfs/dbraw/zinc/55/25/40/1120552540.db2.gz CJRWCCYTZLXJLR-OAHLLOKOSA-N 0 3 259.324 3.772 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922775283 1120595308 /nfs/dbraw/zinc/59/53/08/1120595308.db2.gz JDAIRJAMWKUPBN-GDBMZVCRSA-N 0 3 289.325 3.531 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000186579503 1120597968 /nfs/dbraw/zinc/59/79/68/1120597968.db2.gz NCKILWYJWLSNHJ-GXSJLCMTSA-N 0 3 294.395 3.751 20 10 CHCDHN CN(Cc1cc(Cl)cs1)Cc1ccccc1O ZINC000194345470 1120598170 /nfs/dbraw/zinc/59/81/70/1120598170.db2.gz SZFIKRVUOUXTND-UHFFFAOYSA-N 0 3 267.781 3.739 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(F)ccc1[O-] ZINC000195148489 1120615135 /nfs/dbraw/zinc/61/51/35/1120615135.db2.gz WSEFSIDWPWCLSZ-LBPRGKRZSA-N 0 3 296.345 3.930 20 10 CHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000092968997 1120664060 /nfs/dbraw/zinc/66/40/60/1120664060.db2.gz MGJWXJZCYLYZRT-UHFFFAOYSA-N 0 3 275.392 3.644 20 10 CHCDHN CO[C@@H](C)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000248410936 1120707038 /nfs/dbraw/zinc/70/70/38/1120707038.db2.gz DLCOCQXCHGSMHW-JKSUJKDBSA-N 0 3 299.414 3.990 20 10 CHCDHN CO[C@@H](C)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000248410936 1120707043 /nfs/dbraw/zinc/70/70/43/1120707043.db2.gz DLCOCQXCHGSMHW-JKSUJKDBSA-N 0 3 299.414 3.990 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)c([O-])c1 ZINC000756761947 1120808295 /nfs/dbraw/zinc/80/82/95/1120808295.db2.gz WDZPEHZYNHPLPZ-ZMSDIMECSA-N 0 3 291.435 3.683 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(F)c(F)c2)c([O-])c1 ZINC000191514533 1128941864 /nfs/dbraw/zinc/94/18/64/1128941864.db2.gz UWXNWLQUHLNCKX-LBPRGKRZSA-N 0 3 291.341 3.872 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCc3cccc(C)c3C2)c([O-])c1 ZINC000763508019 1128942100 /nfs/dbraw/zinc/94/21/00/1128942100.db2.gz UPTANMBDUZYRKT-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCc3cccc(C)c3C2)c([O-])c1 ZINC000763508019 1128942103 /nfs/dbraw/zinc/94/21/03/1128942103.db2.gz UPTANMBDUZYRKT-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1cnccn1 ZINC000282498668 1121032777 /nfs/dbraw/zinc/03/27/77/1121032777.db2.gz QQIIYRFRTSHYLN-CQSZACIVSA-N 0 3 285.391 3.546 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1cnccn1 ZINC000282498668 1121032784 /nfs/dbraw/zinc/03/27/84/1121032784.db2.gz QQIIYRFRTSHYLN-CQSZACIVSA-N 0 3 285.391 3.546 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)C(C)C)c1[O-] ZINC000220929987 1121528745 /nfs/dbraw/zinc/52/87/45/1121528745.db2.gz GPGBLFBAYAOEFL-UHFFFAOYSA-N 0 3 285.815 3.826 20 10 CHCDHN CC(C)[C@@H]1[N@H+](Cc2ccccc2[O-])CC12CC=CC2 ZINC000843432059 1121530766 /nfs/dbraw/zinc/53/07/66/1121530766.db2.gz PIZNLDJHCQNOQL-INIZCTEOSA-N 0 3 257.377 3.569 20 10 CHCDHN CC(C)[C@@H]1[N@@H+](Cc2ccccc2[O-])CC12CC=CC2 ZINC000843432059 1121530768 /nfs/dbraw/zinc/53/07/68/1121530768.db2.gz PIZNLDJHCQNOQL-INIZCTEOSA-N 0 3 257.377 3.569 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1ccccc1F ZINC001203357008 1121806678 /nfs/dbraw/zinc/80/66/78/1121806678.db2.gz DBDWCKACAPXHAR-UHFFFAOYSA-N 0 3 259.324 3.553 20 10 CHCDHN CCc1cnccc1[C@@H](C)NCc1ccc(N(C)CC)cc1 ZINC000773835485 1121915178 /nfs/dbraw/zinc/91/51/78/1121915178.db2.gz FWIMJHMKSBEEHW-OAHLLOKOSA-N 0 3 297.446 3.951 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001180141993 1121951024 /nfs/dbraw/zinc/95/10/24/1121951024.db2.gz KFTXUQVVSIKOMQ-KSSFIOAISA-N 0 3 267.372 3.894 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001180141993 1121951030 /nfs/dbraw/zinc/95/10/30/1121951030.db2.gz KFTXUQVVSIKOMQ-KSSFIOAISA-N 0 3 267.372 3.894 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@H]12 ZINC001180271334 1121971740 /nfs/dbraw/zinc/97/17/40/1121971740.db2.gz ISFPEDDZHKSMQO-DAXOMENPSA-N 0 3 277.383 3.932 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@H]12 ZINC001180271334 1121971747 /nfs/dbraw/zinc/97/17/47/1121971747.db2.gz ISFPEDDZHKSMQO-DAXOMENPSA-N 0 3 277.383 3.932 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000272527099 1122206433 /nfs/dbraw/zinc/20/64/33/1122206433.db2.gz YZCRKJBIDPSSRK-HNNXBMFYSA-N 0 3 293.382 3.503 20 10 CHCDHN CN(C)c1ccc(CNCc2cccc3cc[nH]c32)cc1F ZINC000237126561 1122209738 /nfs/dbraw/zinc/20/97/38/1122209738.db2.gz GMHVRXXAFCFZOQ-UHFFFAOYSA-N 0 3 297.377 3.663 20 10 CHCDHN Cc1ccc(C[NH+]2CC([C@@H]3CCC[C@H](C)C3)C2)c([O-])c1 ZINC001183441907 1122223731 /nfs/dbraw/zinc/22/37/31/1122223731.db2.gz BDDMGHRZCZOZPG-DZGCQCFKSA-N 0 3 273.420 3.959 20 10 CHCDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)c(O)c1C ZINC000273427566 1122233254 /nfs/dbraw/zinc/23/32/54/1122233254.db2.gz UREUJQODVBPUCE-KGLIPLIRSA-N 0 3 270.376 3.816 20 10 CHCDHN C[C@H]([NH2+]C1(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000273535744 1122237865 /nfs/dbraw/zinc/23/78/65/1122237865.db2.gz XGEOOKHBWVOHOL-LBPRGKRZSA-N 0 3 271.335 3.871 20 10 CHCDHN CC[C@H](c1ccccc1)[N@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203628494 1122363830 /nfs/dbraw/zinc/36/38/30/1122363830.db2.gz AXDAIRWWBYAUCN-QGZVFWFLSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(OC)cc1[O-] ZINC001203628494 1122363839 /nfs/dbraw/zinc/36/38/39/1122363839.db2.gz AXDAIRWWBYAUCN-QGZVFWFLSA-N 0 3 285.387 3.984 20 10 CHCDHN Cc1cc(C)cc(OCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000775136619 1122437336 /nfs/dbraw/zinc/43/73/36/1122437336.db2.gz LZGLYODUGQNHOA-HNNXBMFYSA-N 0 3 285.387 3.739 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1[O-] ZINC000775134970 1122437640 /nfs/dbraw/zinc/43/76/40/1122437640.db2.gz AOTAINRWJVEADA-MEDUHNTESA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccccc1[O-] ZINC000775137700 1122437673 /nfs/dbraw/zinc/43/76/73/1122437673.db2.gz XLLCDDMCLQOKDX-ZDUSSCGKSA-N 0 3 278.355 3.791 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCCC2)CC1 ZINC001237486179 1129055659 /nfs/dbraw/zinc/05/56/59/1129055659.db2.gz WNGUVELLHRLZLD-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN CCCc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000775307593 1122513066 /nfs/dbraw/zinc/51/30/66/1122513066.db2.gz OVFMAMMCMVPGGT-UHFFFAOYSA-N 0 3 281.399 3.864 20 10 CHCDHN C[C@@H]([NH2+]CCCSc1nccs1)c1ccccc1[O-] ZINC000183520271 1129059696 /nfs/dbraw/zinc/05/96/96/1129059696.db2.gz WYJGATLVLNCTMG-LLVKDONJSA-N 0 3 294.445 3.682 20 10 CHCDHN Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183534498 1129061118 /nfs/dbraw/zinc/06/11/18/1129061118.db2.gz PQYHTDDFJCKIMF-CABCVRRESA-N 0 3 285.387 3.819 20 10 CHCDHN C[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])Cc1cccs1 ZINC000183531655 1129061792 /nfs/dbraw/zinc/06/17/92/1129061792.db2.gz ISXQVXIEVWROQI-CHWSQXEVSA-N 0 3 275.417 3.983 20 10 CHCDHN CC[C@H]([NH2+]CCOc1ccccc1F)c1ccccc1[O-] ZINC000775414522 1122557456 /nfs/dbraw/zinc/55/74/56/1122557456.db2.gz NGGANYSKZPVRSF-HNNXBMFYSA-N 0 3 289.350 3.651 20 10 CHCDHN CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183554849 1129064955 /nfs/dbraw/zinc/06/49/55/1129064955.db2.gz WTGDBQZVHJEDDH-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@@H]([NH2+]CCOc1ccccc1C)c1ccccc1[O-] ZINC000775498319 1122628928 /nfs/dbraw/zinc/62/89/28/1122628928.db2.gz YJJBZAIHPGHNBP-MRXNPFEDSA-N 0 3 285.387 3.820 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CO)[C@H](C)c1ccccc1)c1ccccc1[O-] ZINC000775525602 1122645745 /nfs/dbraw/zinc/64/57/45/1122645745.db2.gz XNBOUEDVOWTRPY-JLSDUUJJSA-N 0 3 299.414 3.598 20 10 CHCDHN CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000296890506 1122780995 /nfs/dbraw/zinc/78/09/95/1122780995.db2.gz ONXJFQXHHGPLMG-LZWOXQAQSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(c3ccccc3)CC1)CC2 ZINC000297037381 1122786854 /nfs/dbraw/zinc/78/68/54/1122786854.db2.gz VCCSODSHBLVNAX-HNNXBMFYSA-N 0 3 265.356 3.658 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(C)(C)O1 ZINC000775609986 1122799322 /nfs/dbraw/zinc/79/93/22/1122799322.db2.gz HVQLQENBRRPWND-HNNXBMFYSA-N 0 3 277.408 3.562 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(C)(C)O1 ZINC000775609986 1122799325 /nfs/dbraw/zinc/79/93/25/1122799325.db2.gz HVQLQENBRRPWND-HNNXBMFYSA-N 0 3 277.408 3.562 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000775716546 1122920545 /nfs/dbraw/zinc/92/05/45/1122920545.db2.gz XQOWBYHXVDIISE-GXSJLCMTSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000775716546 1122920548 /nfs/dbraw/zinc/92/05/48/1122920548.db2.gz XQOWBYHXVDIISE-GXSJLCMTSA-N 0 3 253.773 3.584 20 10 CHCDHN CCOc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)c([O-])c1 ZINC000775826082 1122982549 /nfs/dbraw/zinc/98/25/49/1122982549.db2.gz CHWKGCLVFYAGGE-UHFFFAOYSA-N 0 3 289.350 3.528 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000776153652 1123086354 /nfs/dbraw/zinc/08/63/54/1123086354.db2.gz BZFJSTZFUPLRMI-CQSZACIVSA-N 0 3 285.387 3.684 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000107714171 1123226784 /nfs/dbraw/zinc/22/67/84/1123226784.db2.gz XJGQRWDPSXROKX-UHFFFAOYSA-N 0 3 280.371 3.596 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc2c(c1)CCCO2 ZINC000850429477 1123266132 /nfs/dbraw/zinc/26/61/32/1123266132.db2.gz FCKZSNPWJRBTOP-ZDUSSCGKSA-N 0 3 283.371 3.568 20 10 CHCDHN COc1ccc(CN[C@H](C)c2cc3cnccc3o2)cc1C ZINC000850430833 1123266542 /nfs/dbraw/zinc/26/65/42/1123266542.db2.gz VFEDPZPSJACJSC-CYBMUJFWSA-N 0 3 296.370 3.996 20 10 CHCDHN C[C@@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1)c1ccccc1[O-] ZINC000850532265 1123286236 /nfs/dbraw/zinc/28/62/36/1123286236.db2.gz RUCXMPAOVRHDNM-IIAWOOMASA-N 0 3 283.371 3.653 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)c2c1c(F)ccc2[O-] ZINC000850536497 1123286781 /nfs/dbraw/zinc/28/67/81/1123286781.db2.gz KQRKDTWTGOFUOB-IPURGOFSSA-N 0 3 285.309 3.715 20 10 CHCDHN CC[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(C)cc1[O-] ZINC000850535589 1123286882 /nfs/dbraw/zinc/28/68/82/1123286882.db2.gz XLUSFVQQVGWBJK-MRXNPFEDSA-N 0 3 299.418 3.552 20 10 CHCDHN C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850585147 1123296499 /nfs/dbraw/zinc/29/64/99/1123296499.db2.gz VXACVHRXNBQBFJ-QMTMVMCOSA-N 0 3 298.430 3.525 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCCOCC1 ZINC000776498224 1123305305 /nfs/dbraw/zinc/30/53/05/1123305305.db2.gz OCHFXENBEXUYGA-SFHVURJKSA-N 0 3 297.398 3.718 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cccc2cccnc21 ZINC000109770008 1123326527 /nfs/dbraw/zinc/32/65/27/1123326527.db2.gz KACJSFLLGUTHBC-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cccc2cccnc21 ZINC000109770008 1123326529 /nfs/dbraw/zinc/32/65/29/1123326529.db2.gz KACJSFLLGUTHBC-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN CC[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCS1 ZINC001204769372 1123425291 /nfs/dbraw/zinc/42/52/91/1123425291.db2.gz SZRHVJWAALEWMG-OSJSJHBBSA-N 0 3 290.476 3.593 20 10 CHCDHN C[C@]1(C2CC2)C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000853527807 1123442866 /nfs/dbraw/zinc/44/28/66/1123442866.db2.gz FFSAJYBOIXAKOF-LJQANCHMSA-N 0 3 297.398 3.546 20 10 CHCDHN C[C@]1(C2CC2)C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000853527807 1123442868 /nfs/dbraw/zinc/44/28/68/1123442868.db2.gz FFSAJYBOIXAKOF-LJQANCHMSA-N 0 3 297.398 3.546 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)ccc2F)c1 ZINC000111405127 1123443599 /nfs/dbraw/zinc/44/35/99/1123443599.db2.gz ODSCKIAEJSRGML-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000783521093 1123470120 /nfs/dbraw/zinc/47/01/20/1123470120.db2.gz DTRMFCIBIJBMAS-KGLIPLIRSA-N 0 3 285.387 3.683 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(N)c1)c1ccc(C)cc1[O-] ZINC000854217279 1123478234 /nfs/dbraw/zinc/47/82/34/1123478234.db2.gz JSLRKULRMODQSU-INIZCTEOSA-N 0 3 270.376 3.524 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)c2c1c(F)ccc2[O-] ZINC000857082196 1123586082 /nfs/dbraw/zinc/58/60/82/1123586082.db2.gz UQVBZMUNPQCGOE-YWVKMMECSA-N 0 3 285.309 3.715 20 10 CHCDHN CN(C)c1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858238576 1123639228 /nfs/dbraw/zinc/63/92/28/1123639228.db2.gz WMTVKSFFMJHATG-IBGZPJMESA-N 0 3 295.430 3.779 20 10 CHCDHN Cc1csc([C@H](C)NCCCSc2nccs2)n1 ZINC000858364918 1123647946 /nfs/dbraw/zinc/64/79/46/1123647946.db2.gz IBIUJHNYAKQLEY-JTQLQIEISA-N 0 3 299.490 3.741 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC3(CC3)CC2)c([O-])c1 ZINC000862538882 1123818083 /nfs/dbraw/zinc/81/80/83/1123818083.db2.gz GMYMRPPGSMTKGA-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC3(CC3)CC2)c([O-])c1 ZINC000862538882 1123818089 /nfs/dbraw/zinc/81/80/89/1123818089.db2.gz GMYMRPPGSMTKGA-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN CC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(C)cc1[O-] ZINC000794794825 1123949969 /nfs/dbraw/zinc/94/99/69/1123949969.db2.gz RBDJQURLMNVTCN-INIZCTEOSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(C)cc1[O-] ZINC000794802141 1123950327 /nfs/dbraw/zinc/95/03/27/1123950327.db2.gz MVAZOZXNXNENQM-DOTOQJQBSA-N 0 3 293.451 3.786 20 10 CHCDHN CCCC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794801677 1123950348 /nfs/dbraw/zinc/95/03/48/1123950348.db2.gz KDKMYNOKASONGL-HOCLYGCPSA-N 0 3 279.424 3.947 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802500 1123950798 /nfs/dbraw/zinc/95/07/98/1123950798.db2.gz FVTYRDCTIWFCSQ-DOTOQJQBSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1ccc(C)cc1[O-] ZINC000794799972 1123951013 /nfs/dbraw/zinc/95/10/13/1123951013.db2.gz ASYDBTZTPCUUHI-PBHICJAKSA-N 0 3 284.403 3.768 20 10 CHCDHN CC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccc(C)cc1[O-] ZINC000794799987 1123951048 /nfs/dbraw/zinc/95/10/48/1123951048.db2.gz AYIWFJKMWRQMAH-SJLPKXTDSA-N 0 3 293.451 3.929 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794794008 1123951521 /nfs/dbraw/zinc/95/15/21/1123951521.db2.gz PBGKSXXZNDQTMW-CJNGLKHVSA-N 0 3 273.376 3.966 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccc(C)cc1[O-] ZINC000794807000 1123953948 /nfs/dbraw/zinc/95/39/48/1123953948.db2.gz JDDQLSJVUWTYGM-RDJZCZTQSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]Cc1scnc1C)c1ccc(C)cc1[O-] ZINC000794807243 1123954177 /nfs/dbraw/zinc/95/41/77/1123954177.db2.gz LEGCMFSZOYZRQI-CYBMUJFWSA-N 0 3 276.405 3.706 20 10 CHCDHN CC[C@H]([NH2+]CCC(O)(CC)CC)c1ccc(C)cc1[O-] ZINC000794815416 1123958242 /nfs/dbraw/zinc/95/82/42/1123958242.db2.gz PENZSNGMMILALK-HNNXBMFYSA-N 0 3 279.424 3.683 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000794816505 1123958331 /nfs/dbraw/zinc/95/83/31/1123958331.db2.gz NQLWQKSLRPYPTE-NVXWUHKLSA-N 0 3 293.451 3.784 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000794815937 1123959262 /nfs/dbraw/zinc/95/92/62/1123959262.db2.gz MKUUQGDJCSAAKM-YQQAZPJKSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794811921 1123959811 /nfs/dbraw/zinc/95/98/11/1123959811.db2.gz UTNHRGDYIKGPQR-FMKPAKJESA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794818353 1123959965 /nfs/dbraw/zinc/95/99/65/1123959965.db2.gz SFUXXTVCLZSCKF-DLBZAZTESA-N 0 3 291.435 3.683 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000866404993 1124063897 /nfs/dbraw/zinc/06/38/97/1124063897.db2.gz SFBPYOXTQGWWDC-QBIMZIAESA-N 0 3 283.371 3.573 20 10 CHCDHN Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000866455423 1124068445 /nfs/dbraw/zinc/06/84/45/1124068445.db2.gz LKTDKVKWHKGXKL-UWVGGRQHSA-N 0 3 262.378 3.569 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccnc(F)c2)c1[O-] ZINC000866473821 1124070154 /nfs/dbraw/zinc/07/01/54/1124070154.db2.gz HZAQQHBTKNTFQR-SNVBAGLBSA-N 0 3 294.757 3.739 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000866511177 1124076163 /nfs/dbraw/zinc/07/61/63/1124076163.db2.gz BHJJYLGSFSQFAR-DHSIGJKJSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c([O-])c1 ZINC000866562145 1124081647 /nfs/dbraw/zinc/08/16/47/1124081647.db2.gz CRGMOEDQSCWWTF-RDTXWAMCSA-N 0 3 296.414 3.538 20 10 CHCDHN CC[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866622789 1124091406 /nfs/dbraw/zinc/09/14/06/1124091406.db2.gz JBUFCHGMBOALLB-RDJZCZTQSA-N 0 3 289.419 3.925 20 10 CHCDHN CCCOc1ccc(CN[C@@H]2CCCn3nccc32)cc1C ZINC000873152543 1124743756 /nfs/dbraw/zinc/74/37/56/1124743756.db2.gz STOXIEHXYGOXOW-MRXNPFEDSA-N 0 3 299.418 3.605 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1[O-] ZINC000019904138 1124766659 /nfs/dbraw/zinc/76/66/59/1124766659.db2.gz AFJPZMQZNCZHMP-MRXNPFEDSA-N 0 3 273.351 3.815 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000876636255 1124966586 /nfs/dbraw/zinc/96/65/86/1124966586.db2.gz DAEBJCJHBUGGNC-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000876636255 1124966592 /nfs/dbraw/zinc/96/65/92/1124966592.db2.gz DAEBJCJHBUGGNC-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccc(C[N@@H+](CCc2nccs2)C(C)C)c([O-])c1 ZINC000876778206 1124976859 /nfs/dbraw/zinc/97/68/59/1124976859.db2.gz YRLNWJBLLITOSX-UHFFFAOYSA-N 0 3 290.432 3.610 20 10 CHCDHN Cc1ccc(C[N@H+](CCc2nccs2)C(C)C)c([O-])c1 ZINC000876778206 1124976863 /nfs/dbraw/zinc/97/68/63/1124976863.db2.gz YRLNWJBLLITOSX-UHFFFAOYSA-N 0 3 290.432 3.610 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@@H]2NCc1c(C)cccc1O ZINC000876876063 1124987153 /nfs/dbraw/zinc/98/71/53/1124987153.db2.gz JLAXPNVOIDBSDR-INIZCTEOSA-N 0 3 283.371 3.541 20 10 CHCDHN Cc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)c([O-])c1 ZINC000877007259 1124997236 /nfs/dbraw/zinc/99/72/36/1124997236.db2.gz JBBZLYKGINAHHC-UHFFFAOYSA-N 0 3 273.351 3.865 20 10 CHCDHN CC[C@H](NCc1ccc(C)cc1O)c1nc(C)cs1 ZINC000877025516 1124999624 /nfs/dbraw/zinc/99/96/24/1124999624.db2.gz MTSWGHOKPBJINF-ZDUSSCGKSA-N 0 3 276.405 3.706 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000877038843 1125001484 /nfs/dbraw/zinc/00/14/84/1125001484.db2.gz ZGROBPVXOFXJOQ-YOEHRIQHSA-N 0 3 291.435 3.632 20 10 CHCDHN Cc1cnc([C@@H](NCc2ccc(C)cc2O)C2CC2)s1 ZINC000877064406 1125003629 /nfs/dbraw/zinc/00/36/29/1125003629.db2.gz SGKAFSZQIHZUDB-HNNXBMFYSA-N 0 3 288.416 3.706 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)c([O-])c1 ZINC000877172881 1125016483 /nfs/dbraw/zinc/01/64/83/1125016483.db2.gz YQRABRMMPDSNOW-UHFFFAOYSA-N 0 3 296.414 3.550 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCCc3sccc32)c([O-])c1 ZINC000877388179 1125025521 /nfs/dbraw/zinc/02/55/21/1125025521.db2.gz XAKHVXDOAADHSE-AWEZNQCLSA-N 0 3 273.401 3.929 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000877498824 1125036854 /nfs/dbraw/zinc/03/68/54/1125036854.db2.gz VHFWGBCYLJHWDH-GFCCVEGCSA-N 0 3 269.335 3.616 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000877702922 1125066587 /nfs/dbraw/zinc/06/65/87/1125066587.db2.gz JZXKFAAQDQFZOF-JKSUJKDBSA-N 0 3 265.356 3.512 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000877702922 1125066594 /nfs/dbraw/zinc/06/65/94/1125066594.db2.gz JZXKFAAQDQFZOF-JKSUJKDBSA-N 0 3 265.356 3.512 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)c1ccccc1[O-] ZINC000877755634 1125073104 /nfs/dbraw/zinc/07/31/04/1125073104.db2.gz IUYDFVRXPOUCER-VHSXEESVSA-N 0 3 261.287 3.774 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccccc1[O-] ZINC000877757058 1125073770 /nfs/dbraw/zinc/07/37/70/1125073770.db2.gz DDXRZASDEBICIB-ZDUSSCGKSA-N 0 3 297.398 3.957 20 10 CHCDHN CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758244 1125073965 /nfs/dbraw/zinc/07/39/65/1125073965.db2.gz PBHIDNUGCHXHRW-IYOUNJFTSA-N 0 3 285.387 3.819 20 10 CHCDHN Cc1ccc(F)cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757332 1125074239 /nfs/dbraw/zinc/07/42/39/1125074239.db2.gz QGZLZEPTIBDCJB-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@H]([NH2+]Cc1scnc1C1CC1)c1ccccc1[O-] ZINC000877757950 1125074807 /nfs/dbraw/zinc/07/48/07/1125074807.db2.gz AJLDYQCNPOHARR-JTQLQIEISA-N 0 3 274.389 3.577 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000877756586 1125074925 /nfs/dbraw/zinc/07/49/25/1125074925.db2.gz VSHQVRWNKTWYBX-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000877756885 1125074939 /nfs/dbraw/zinc/07/49/39/1125074939.db2.gz BVOAYNYNDAAAAI-DVOMOZLQSA-N 0 3 277.408 3.637 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878242902 1125133538 /nfs/dbraw/zinc/13/35/38/1125133538.db2.gz WSHAYIXOLUHZTA-PKOBYXMFSA-N 0 3 297.398 3.744 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878242902 1125133543 /nfs/dbraw/zinc/13/35/43/1125133543.db2.gz WSHAYIXOLUHZTA-PKOBYXMFSA-N 0 3 297.398 3.744 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000717108811 1125152040 /nfs/dbraw/zinc/15/20/40/1125152040.db2.gz GJLHTJGZGWOIKF-KGLIPLIRSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000879650144 1125223191 /nfs/dbraw/zinc/22/31/91/1125223191.db2.gz LQAOJSDYFQZANJ-ALKREAHSSA-N 0 3 297.398 3.963 20 10 CHCDHN COc1cccc(CN[C@@H](C)c2ccccc2O)c1Cl ZINC000879650352 1125224493 /nfs/dbraw/zinc/22/44/93/1125224493.db2.gz WCLXJMUIIBSIIZ-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1Cl ZINC000879650352 1125224497 /nfs/dbraw/zinc/22/44/97/1125224497.db2.gz WCLXJMUIIBSIIZ-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)C[C@@H](C)CC)c1[O-] ZINC000211699745 1125321584 /nfs/dbraw/zinc/32/15/84/1125321584.db2.gz ORVSWKKKBWRQAH-ZDUSSCGKSA-N 0 3 265.397 3.659 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)C[C@@H](C)CC)c1[O-] ZINC000211699745 1125321587 /nfs/dbraw/zinc/32/15/87/1125321587.db2.gz ORVSWKKKBWRQAH-ZDUSSCGKSA-N 0 3 265.397 3.659 20 10 CHCDHN COc1cccc(C[N@H+](C)C2CCC(C)(C)CC2)c1[O-] ZINC000211714113 1125322939 /nfs/dbraw/zinc/32/29/39/1125322939.db2.gz DHGYAHVLMXJUNR-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc(C[N@@H+](C)C2CCC(C)(C)CC2)c1[O-] ZINC000211714113 1125322943 /nfs/dbraw/zinc/32/29/43/1125322943.db2.gz DHGYAHVLMXJUNR-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccncc1)C1CCCC1 ZINC000130611405 1125364578 /nfs/dbraw/zinc/36/45/78/1125364578.db2.gz BAKIDFOLKBXMCH-UHFFFAOYSA-N 0 3 282.387 3.732 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccncc1)C1CCCC1 ZINC000130611405 1125364581 /nfs/dbraw/zinc/36/45/81/1125364581.db2.gz BAKIDFOLKBXMCH-UHFFFAOYSA-N 0 3 282.387 3.732 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(C)nc2Cl)c1 ZINC000883301965 1125392627 /nfs/dbraw/zinc/39/26/27/1125392627.db2.gz NKFATYXWJFAVSB-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN Oc1ccc(Cl)c(CN[C@@H]2CCc3cccc(O)c32)c1 ZINC000883327390 1125397058 /nfs/dbraw/zinc/39/70/58/1125397058.db2.gz XRXZWPUSIQDJEZ-CQSZACIVSA-N 0 3 289.762 3.528 20 10 CHCDHN Cc1cc(CN2CCCC[C@@](C)(F)C2)ccc1N(C)C ZINC001139669740 1131355702 /nfs/dbraw/zinc/35/57/02/1131355702.db2.gz KGWCVRPFWBYCGT-QGZVFWFLSA-N 0 3 278.415 3.775 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CCCC(C)(F)F)c1[O-] ZINC000295942738 1129219645 /nfs/dbraw/zinc/21/96/45/1129219645.db2.gz GLBHPVCIXJDRKZ-UHFFFAOYSA-N 0 3 293.741 3.579 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC4(CC4)C3)c2c1 ZINC000184872149 1129260372 /nfs/dbraw/zinc/26/03/72/1129260372.db2.gz STIACSSQWWRMKG-UHFFFAOYSA-N 0 3 297.398 3.930 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC4(CC4)C3)c2c1 ZINC000184872149 1129260374 /nfs/dbraw/zinc/26/03/74/1129260374.db2.gz STIACSSQWWRMKG-UHFFFAOYSA-N 0 3 297.398 3.930 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1F ZINC000037763988 1129266816 /nfs/dbraw/zinc/26/68/16/1129266816.db2.gz UFCAIHTZFSGTDN-NEPJUHHUSA-N 0 3 259.324 3.943 20 10 CHCDHN Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037776899 1129268675 /nfs/dbraw/zinc/26/86/75/1129268675.db2.gz SOQUKHBTNJJRKI-HUUCEWRRSA-N 0 3 269.388 3.982 20 10 CHCDHN C[N@H+](C/C=C/c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000091974480 1129375871 /nfs/dbraw/zinc/37/58/71/1129375871.db2.gz RQHNJRRRPVVDAT-SNAWJCMRSA-N 0 3 271.335 3.677 20 10 CHCDHN C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000091974480 1129375875 /nfs/dbraw/zinc/37/58/75/1129375875.db2.gz RQHNJRRRPVVDAT-SNAWJCMRSA-N 0 3 271.335 3.677 20 10 CHCDHN C[N@H+](Cc1coc2ccccc12)Cc1ccccc1[O-] ZINC000091956614 1129376003 /nfs/dbraw/zinc/37/60/03/1129376003.db2.gz OPQWGNQNDFIVEB-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[N@@H+](Cc1coc2ccccc12)Cc1ccccc1[O-] ZINC000091956614 1129376007 /nfs/dbraw/zinc/37/60/07/1129376007.db2.gz OPQWGNQNDFIVEB-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2ccccc2O)o1 ZINC000091974432 1129376104 /nfs/dbraw/zinc/37/61/04/1129376104.db2.gz QFRVYBNEOQMGLH-WFASDCNBSA-N 0 3 271.360 3.741 20 10 CHCDHN CC(C)[C@H](NCc1ccc(N(C)C)cc1)c1ccccn1 ZINC000736648384 1129378732 /nfs/dbraw/zinc/37/87/32/1129378732.db2.gz XVXQMTVMYLYEQA-SFHVURJKSA-N 0 3 283.419 3.635 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C12CCC2 ZINC000248515191 1129420109 /nfs/dbraw/zinc/42/01/09/1129420109.db2.gz NYFCLDBDPWWMRK-XFBWCDHKSA-N 0 3 293.382 3.530 20 10 CHCDHN C[C@@H](NCc1ccc(F)cc1F)c1cc(F)ccc1O ZINC000094618060 1129448318 /nfs/dbraw/zinc/44/83/18/1129448318.db2.gz FUDDDHUNXGLQGU-SECBINFHSA-N 0 3 281.277 3.660 20 10 CHCDHN Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618497 1129448350 /nfs/dbraw/zinc/44/83/50/1129448350.db2.gz MXLRLZDTOUCPPL-IUCAKERBSA-N 0 3 278.327 3.548 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC(C)(C)C3)c2c1 ZINC000743390909 1129522011 /nfs/dbraw/zinc/52/20/11/1129522011.db2.gz MDMXGBJBOWVGFU-UHFFFAOYSA-N 0 3 285.387 3.786 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC(C)(C)C3)c2c1 ZINC000743390909 1129522015 /nfs/dbraw/zinc/52/20/15/1129522015.db2.gz MDMXGBJBOWVGFU-UHFFFAOYSA-N 0 3 285.387 3.786 20 10 CHCDHN CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1(C)C ZINC000766331756 1129604324 /nfs/dbraw/zinc/60/43/24/1129604324.db2.gz UKWXERANPLTFBU-UHOFOFEASA-N 0 3 277.408 3.635 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cccc2ncccc12 ZINC001137630522 1131388141 /nfs/dbraw/zinc/38/81/41/1131388141.db2.gz BNKUEZHKCVHSNA-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cccc2ncccc12 ZINC001137630522 1131388145 /nfs/dbraw/zinc/38/81/45/1131388145.db2.gz BNKUEZHKCVHSNA-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN CSC1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000720525627 1129652398 /nfs/dbraw/zinc/65/23/98/1129652398.db2.gz WWMZGNNVJHOXLT-UHFFFAOYSA-N 0 3 283.412 3.543 20 10 CHCDHN COc1ccccc1C(C)(C)NCc1ccc2c(c1)CCO2 ZINC000103171866 1129718808 /nfs/dbraw/zinc/71/88/08/1129718808.db2.gz WTPVAJZUHVAKQQ-UHFFFAOYSA-N 0 3 297.398 3.655 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CCC(C)C ZINC001169754355 1129754673 /nfs/dbraw/zinc/75/46/73/1129754673.db2.gz LIGMCWXVASDFKG-KRWDZBQOSA-N 0 3 293.451 3.791 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CCC(C)C ZINC001169754355 1129754675 /nfs/dbraw/zinc/75/46/75/1129754675.db2.gz LIGMCWXVASDFKG-KRWDZBQOSA-N 0 3 293.451 3.791 20 10 CHCDHN C[C@@H]1CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796525764 1129772766 /nfs/dbraw/zinc/77/27/66/1129772766.db2.gz FVDPHERHQKOKLB-CXAGYDPISA-N 0 3 267.372 3.947 20 10 CHCDHN CCN(Cc1occc1C)Cc1ccc(N(C)C)cc1 ZINC000768132694 1129834701 /nfs/dbraw/zinc/83/47/01/1129834701.db2.gz ILTYKSFOCZKBKQ-UHFFFAOYSA-N 0 3 272.392 3.676 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC)c([O-])c1 ZINC000768138524 1129836004 /nfs/dbraw/zinc/83/60/04/1129836004.db2.gz NRUPOFBQFSLZQR-AWEZNQCLSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC)c([O-])c1 ZINC000768138524 1129836008 /nfs/dbraw/zinc/83/60/08/1129836008.db2.gz NRUPOFBQFSLZQR-AWEZNQCLSA-N 0 3 263.381 3.555 20 10 CHCDHN COc1cccc(O)c1CN(C)Cc1ccc(Cl)cc1 ZINC000768169577 1129838312 /nfs/dbraw/zinc/83/83/12/1129838312.db2.gz GVKKWHJQJWOOBM-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN COc1cccc(O)c1CN1CCc2sccc2[C@@H]1C ZINC000768208049 1129840345 /nfs/dbraw/zinc/84/03/45/1129840345.db2.gz MDJHGTBKTXLPOG-NSHDSACASA-N 0 3 289.400 3.582 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1[O-] ZINC000822812692 1131401256 /nfs/dbraw/zinc/40/12/56/1131401256.db2.gz KOOYSADABAENAR-VHSXEESVSA-N 0 3 274.191 3.627 20 10 CHCDHN CC(C)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000768249427 1129847771 /nfs/dbraw/zinc/84/77/71/1129847771.db2.gz FWEQGCKBQATBEV-UHFFFAOYSA-N 0 3 272.392 3.756 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCSC1 ZINC000768262092 1129849127 /nfs/dbraw/zinc/84/91/27/1129849127.db2.gz GJECRCDWCKRRQL-KRWDZBQOSA-N 0 3 299.439 3.997 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCSC1 ZINC000768262092 1129849131 /nfs/dbraw/zinc/84/91/31/1129849131.db2.gz GJECRCDWCKRRQL-KRWDZBQOSA-N 0 3 299.439 3.997 20 10 CHCDHN COc1cccc(O)c1CN(C)[C@H](C)c1cccs1 ZINC000768417314 1129857704 /nfs/dbraw/zinc/85/77/04/1129857704.db2.gz MWBHRLACPRAUDI-LLVKDONJSA-N 0 3 277.389 3.655 20 10 CHCDHN CC1(C)CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000768840600 1129877245 /nfs/dbraw/zinc/87/72/45/1129877245.db2.gz AWONTLXUOPKYRL-UHFFFAOYSA-N 0 3 297.398 3.670 20 10 CHCDHN CC1(C)COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000769007632 1129888130 /nfs/dbraw/zinc/88/81/30/1129888130.db2.gz VYFOEGQADBLXFM-UHFFFAOYSA-N 0 3 297.398 3.670 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000769102524 1129889061 /nfs/dbraw/zinc/88/90/61/1129889061.db2.gz OLAOKXHOLFKVDL-CJNGLKHVSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000769102524 1129889067 /nfs/dbraw/zinc/88/90/67/1129889067.db2.gz OLAOKXHOLFKVDL-CJNGLKHVSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC000769334256 1129903111 /nfs/dbraw/zinc/90/31/11/1129903111.db2.gz ZSDXKMAQUWAMMP-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC000769334256 1129903112 /nfs/dbraw/zinc/90/31/12/1129903112.db2.gz ZSDXKMAQUWAMMP-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN COc1cccc(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c1[O-] ZINC000769502827 1129914203 /nfs/dbraw/zinc/91/42/03/1129914203.db2.gz ALNNGHYZUMBUGU-IBGZPJMESA-N 0 3 297.398 3.564 20 10 CHCDHN COc1cccc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1[O-] ZINC000769502827 1129914204 /nfs/dbraw/zinc/91/42/04/1129914204.db2.gz ALNNGHYZUMBUGU-IBGZPJMESA-N 0 3 297.398 3.564 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H](SC)C2)c([O-])c1 ZINC000770351675 1129945903 /nfs/dbraw/zinc/94/59/03/1129945903.db2.gz UDOVJFVDOLEOQC-OAHLLOKOSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC[C@@H](SC)C2)c([O-])c1 ZINC000770351675 1129945904 /nfs/dbraw/zinc/94/59/04/1129945904.db2.gz UDOVJFVDOLEOQC-OAHLLOKOSA-N 0 3 295.448 3.508 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC3(CC3)C2)c1[O-] ZINC000770674774 1129955090 /nfs/dbraw/zinc/95/50/90/1129955090.db2.gz MHEWUKIZBZNBNS-UHFFFAOYSA-N 0 3 265.784 3.730 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC3(CC3)C2)c1[O-] ZINC000770674774 1129955091 /nfs/dbraw/zinc/95/50/91/1129955091.db2.gz MHEWUKIZBZNBNS-UHFFFAOYSA-N 0 3 265.784 3.730 20 10 CHCDHN CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000785978262 1130070617 /nfs/dbraw/zinc/07/06/17/1130070617.db2.gz SNTRQCPGVUVARL-ZBFHGGJFSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000785978262 1130070621 /nfs/dbraw/zinc/07/06/21/1130070621.db2.gz SNTRQCPGVUVARL-ZBFHGGJFSA-N 0 3 259.393 3.816 20 10 CHCDHN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001461933516 1130116579 /nfs/dbraw/zinc/11/65/79/1130116579.db2.gz FLXJLURMWDQBRB-HUUCEWRRSA-N 0 3 279.449 3.807 20 10 CHCDHN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001461933516 1130116580 /nfs/dbraw/zinc/11/65/80/1130116580.db2.gz FLXJLURMWDQBRB-HUUCEWRRSA-N 0 3 279.449 3.807 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000903333096 1130158846 /nfs/dbraw/zinc/15/88/46/1130158846.db2.gz NNZODHAEGNDEND-RYUDHWBXSA-N 0 3 269.335 3.868 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@H](c2ccccn2)C2CC2)c1 ZINC000903334465 1130159703 /nfs/dbraw/zinc/15/97/03/1130159703.db2.gz AEWHNEGFDZSWAR-XIKOKIGWSA-N 0 3 298.386 3.598 20 10 CHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H]1CCC=CO1 ZINC000788442207 1130186083 /nfs/dbraw/zinc/18/60/83/1130186083.db2.gz BSLFXJUKEQPUCY-INIZCTEOSA-N 0 3 299.370 3.680 20 10 CHCDHN Cc1ccc(O)c(CNCc2cc(F)c(Cl)cc2F)c1 ZINC000788532011 1130194346 /nfs/dbraw/zinc/19/43/46/1130194346.db2.gz KBWAWCSPFNTKFS-UHFFFAOYSA-N 0 3 297.732 3.922 20 10 CHCDHN CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000903948954 1130211565 /nfs/dbraw/zinc/21/15/65/1130211565.db2.gz WMCKAAKZUXLUGT-INIZCTEOSA-N 0 3 286.350 3.566 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCSCC[C@H]2C)c1[O-] ZINC000792197252 1130437398 /nfs/dbraw/zinc/43/73/98/1130437398.db2.gz SETXAOIORXIOSA-LLVKDONJSA-N 0 3 285.840 3.681 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCSCC[C@H]2C)c1[O-] ZINC000792197252 1130437401 /nfs/dbraw/zinc/43/74/01/1130437401.db2.gz SETXAOIORXIOSA-LLVKDONJSA-N 0 3 285.840 3.681 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C)c2c1 ZINC001234518775 1130653122 /nfs/dbraw/zinc/65/31/22/1130653122.db2.gz MPNSDHWLKLBIJV-ZDUSSCGKSA-N 0 3 285.387 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C)c2c1 ZINC001234518775 1130653124 /nfs/dbraw/zinc/65/31/24/1130653124.db2.gz MPNSDHWLKLBIJV-ZDUSSCGKSA-N 0 3 285.387 3.928 20 10 CHCDHN CCN1CCN(c2ccc(OC3CCCCC3)cc2)CC1 ZINC001234657644 1130669704 /nfs/dbraw/zinc/66/97/04/1130669704.db2.gz FUIJZMOYZMFTJN-UHFFFAOYSA-N 0 3 288.435 3.540 20 10 CHCDHN Cc1cccc(C2=CC[N@H+](Cc3ccccc3[O-])CC2)c1 ZINC000780780628 1130691793 /nfs/dbraw/zinc/69/17/93/1130691793.db2.gz XLEAGOYOXSJHML-UHFFFAOYSA-N 0 3 279.383 3.990 20 10 CHCDHN Cc1cccc(C2=CC[N@@H+](Cc3ccccc3[O-])CC2)c1 ZINC000780780628 1130691794 /nfs/dbraw/zinc/69/17/94/1130691794.db2.gz XLEAGOYOXSJHML-UHFFFAOYSA-N 0 3 279.383 3.990 20 10 CHCDHN C[N@H+](Cc1cccc(-c2ccccc2)c1[O-])[C@H]1CCCOC1 ZINC001235000288 1130700116 /nfs/dbraw/zinc/70/01/16/1130700116.db2.gz QENFVDXHWUYBAX-KRWDZBQOSA-N 0 3 297.398 3.670 20 10 CHCDHN C[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])[C@H]1CCCOC1 ZINC001235000288 1130700122 /nfs/dbraw/zinc/70/01/22/1130700122.db2.gz QENFVDXHWUYBAX-KRWDZBQOSA-N 0 3 297.398 3.670 20 10 CHCDHN CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235000939 1130701044 /nfs/dbraw/zinc/70/10/44/1130701044.db2.gz RJTOZANFKZITLP-SFHVURJKSA-N 0 3 295.382 3.613 20 10 CHCDHN CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235000939 1130701049 /nfs/dbraw/zinc/70/10/49/1130701049.db2.gz RJTOZANFKZITLP-SFHVURJKSA-N 0 3 295.382 3.613 20 10 CHCDHN O=C1CCCN(Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001235003700 1130703548 /nfs/dbraw/zinc/70/35/48/1130703548.db2.gz XBXQOWFZCKEIGL-UHFFFAOYSA-N 0 3 295.382 3.614 20 10 CHCDHN COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccccc1[O-])[C@@H]2C ZINC000781925938 1130748998 /nfs/dbraw/zinc/74/89/98/1130748998.db2.gz CJTVZJDFYBRCEK-UONOGXRCSA-N 0 3 297.398 3.909 20 10 CHCDHN COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccccc1[O-])[C@@H]2C ZINC000781925938 1130749002 /nfs/dbraw/zinc/74/90/02/1130749002.db2.gz CJTVZJDFYBRCEK-UONOGXRCSA-N 0 3 297.398 3.909 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000813782098 1130784025 /nfs/dbraw/zinc/78/40/25/1130784025.db2.gz MNHNOWSSVCKSNO-GFCCVEGCSA-N 0 3 299.361 3.706 20 10 CHCDHN C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783503524 1130830405 /nfs/dbraw/zinc/83/04/05/1130830405.db2.gz FKVLOGOWRSITBB-CHWSQXEVSA-N 0 3 289.350 3.649 20 10 CHCDHN Cc1cccc(C)c1OCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783500475 1130831222 /nfs/dbraw/zinc/83/12/22/1130831222.db2.gz HJWLIUIWNNGDJO-HNNXBMFYSA-N 0 3 285.387 3.739 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1[O-] ZINC000783516089 1130833104 /nfs/dbraw/zinc/83/31/04/1130833104.db2.gz AXMLVLCJUQBXJM-JLJPHGGASA-N 0 3 267.372 3.674 20 10 CHCDHN CCC1(CC)[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@@H]1OC ZINC000783518666 1130834030 /nfs/dbraw/zinc/83/40/30/1130834030.db2.gz NKBBZSUPYLATIM-MAZHCROVSA-N 0 3 277.408 3.637 20 10 CHCDHN C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)c1ccccc1[O-] ZINC000783526537 1130835752 /nfs/dbraw/zinc/83/57/52/1130835752.db2.gz WBYUIFPDMABPJQ-AWEZNQCLSA-N 0 3 281.399 3.848 20 10 CHCDHN Cc1cc(O)c(CNc2nc3ccc(F)cc3[nH]2)cc1C ZINC000784326592 1130899724 /nfs/dbraw/zinc/89/97/24/1130899724.db2.gz TVKJQWAROJEADP-UHFFFAOYSA-N 0 3 285.322 3.637 20 10 CHCDHN CCN(C)c1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000815076415 1130955907 /nfs/dbraw/zinc/95/59/07/1130955907.db2.gz FEVGJDWMHPEXQL-IBGZPJMESA-N 0 3 295.430 3.875 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000797061396 1130958015 /nfs/dbraw/zinc/95/80/15/1130958015.db2.gz PXCASXXCQVZULN-UCLAIMLFSA-N 0 3 299.414 3.863 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2Cc3ccccc32)c([O-])c1 ZINC000815576077 1131001965 /nfs/dbraw/zinc/00/19/65/1131001965.db2.gz IVFVTHOSSCDDLC-GOEBONIOSA-N 0 3 281.399 4.000 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001236783693 1131006599 /nfs/dbraw/zinc/00/65/99/1131006599.db2.gz OHAAJJSFQQAISN-UHFFFAOYSA-N 0 3 283.362 3.822 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001236783693 1131006604 /nfs/dbraw/zinc/00/66/04/1131006604.db2.gz OHAAJJSFQQAISN-UHFFFAOYSA-N 0 3 283.362 3.822 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001236782549 1131006927 /nfs/dbraw/zinc/00/69/27/1131006927.db2.gz CEEZQBAYKSDCMO-UHFFFAOYSA-N 0 3 281.399 3.821 20 10 CHCDHN CCc1ccc(C[N@H+]2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001236782549 1131006930 /nfs/dbraw/zinc/00/69/30/1131006930.db2.gz CEEZQBAYKSDCMO-UHFFFAOYSA-N 0 3 281.399 3.821 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)c([O-])c1 ZINC001236792367 1131009912 /nfs/dbraw/zinc/00/99/12/1131009912.db2.gz QELHBZBLIFPXCJ-GOSISDBHSA-N 0 3 296.414 3.995 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)c([O-])c1 ZINC001236792367 1131009917 /nfs/dbraw/zinc/00/99/17/1131009917.db2.gz QELHBZBLIFPXCJ-GOSISDBHSA-N 0 3 296.414 3.995 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)CCc2ccc(C)cc2)c([O-])c1 ZINC001236810433 1131010555 /nfs/dbraw/zinc/01/05/55/1131010555.db2.gz GWKMGNZRWHEQID-UHFFFAOYSA-N 0 3 299.414 3.692 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)CCc2ccc(C)cc2)c([O-])c1 ZINC001236810433 1131010560 /nfs/dbraw/zinc/01/05/60/1131010560.db2.gz GWKMGNZRWHEQID-UHFFFAOYSA-N 0 3 299.414 3.692 20 10 CHCDHN COc1cc(C)c(CN2Cc3cccc(C)c3C2)c(O)c1 ZINC001236807270 1131010593 /nfs/dbraw/zinc/01/05/93/1131010593.db2.gz FMDYJAJKSPWGFY-UHFFFAOYSA-N 0 3 283.371 3.533 20 10 CHCDHN COc1cc(C)c(C[NH+]2CCCCCCCC2)c([O-])c1 ZINC001236816747 1131013831 /nfs/dbraw/zinc/01/38/31/1131013831.db2.gz WDBVWAAMQVXMDZ-UHFFFAOYSA-N 0 3 277.408 3.865 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001236826819 1131015988 /nfs/dbraw/zinc/01/59/88/1131015988.db2.gz NFFFZHZEKATMOP-MRXNPFEDSA-N 0 3 273.351 3.869 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001236826819 1131015995 /nfs/dbraw/zinc/01/59/95/1131015995.db2.gz NFFFZHZEKATMOP-MRXNPFEDSA-N 0 3 273.351 3.869 20 10 CHCDHN C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236838724 1131018926 /nfs/dbraw/zinc/01/89/26/1131018926.db2.gz DTIYCBVTEANKPF-ZDUSSCGKSA-N 0 3 255.361 3.920 20 10 CHCDHN C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236838724 1131018932 /nfs/dbraw/zinc/01/89/32/1131018932.db2.gz DTIYCBVTEANKPF-ZDUSSCGKSA-N 0 3 255.361 3.920 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001236842471 1131020783 /nfs/dbraw/zinc/02/07/83/1131020783.db2.gz VHIKYCPRQAZQEA-UHFFFAOYSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001236842471 1131020788 /nfs/dbraw/zinc/02/07/88/1131020788.db2.gz VHIKYCPRQAZQEA-UHFFFAOYSA-N 0 3 297.398 3.548 20 10 CHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])CC1CCC1 ZINC001236841656 1131021010 /nfs/dbraw/zinc/02/10/10/1131021010.db2.gz OHOSTLDVSVQBDM-UHFFFAOYSA-N 0 3 255.361 3.777 20 10 CHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])CC1CCC1 ZINC001236841656 1131021013 /nfs/dbraw/zinc/02/10/13/1131021013.db2.gz OHOSTLDVSVQBDM-UHFFFAOYSA-N 0 3 255.361 3.777 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001237042041 1131037702 /nfs/dbraw/zinc/03/77/02/1131037702.db2.gz DPWWKKQNAOAYEG-PBHICJAKSA-N 0 3 289.419 3.946 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001237042041 1131037709 /nfs/dbraw/zinc/03/77/09/1131037709.db2.gz DPWWKKQNAOAYEG-PBHICJAKSA-N 0 3 289.419 3.946 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](F)CC2)c([O-])c1 ZINC001237046095 1131039431 /nfs/dbraw/zinc/03/94/31/1131039431.db2.gz PIZCDALMUPZOOU-OAHLLOKOSA-N 0 3 265.372 3.840 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](F)CC2)c([O-])c1 ZINC001237046095 1131039437 /nfs/dbraw/zinc/03/94/37/1131039437.db2.gz PIZCDALMUPZOOU-OAHLLOKOSA-N 0 3 265.372 3.840 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c([O-])c1 ZINC001237050681 1131040193 /nfs/dbraw/zinc/04/01/93/1131040193.db2.gz GMORVPWGPQQCCU-HIFRSBDPSA-N 0 3 295.373 3.993 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c([O-])c1 ZINC001237050681 1131040199 /nfs/dbraw/zinc/04/01/99/1131040199.db2.gz GMORVPWGPQQCCU-HIFRSBDPSA-N 0 3 295.373 3.993 20 10 CHCDHN Cc1cnc2c(c1)CN(Cc1ccc(C(C)C)cc1O)CC2 ZINC001237054935 1131042995 /nfs/dbraw/zinc/04/29/95/1131042995.db2.gz IPAAMVVSKBLINI-UHFFFAOYSA-N 0 3 296.414 3.777 20 10 CHCDHN CCCOC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237053994 1131043405 /nfs/dbraw/zinc/04/34/05/1131043405.db2.gz SGMKLODQRXKHJN-UHFFFAOYSA-N 0 3 291.435 3.907 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c([O-])c1 ZINC001237052336 1131043901 /nfs/dbraw/zinc/04/39/01/1131043901.db2.gz UPQBEECRTTXMBU-GASCZTMLSA-N 0 3 295.373 3.993 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c([O-])c1 ZINC001237052336 1131043907 /nfs/dbraw/zinc/04/39/07/1131043907.db2.gz UPQBEECRTTXMBU-GASCZTMLSA-N 0 3 295.373 3.993 20 10 CHCDHN C[C@H]1CCCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237120563 1131054273 /nfs/dbraw/zinc/05/42/73/1131054273.db2.gz QLWIDNMGLVDLFL-JTQLQIEISA-N 0 3 289.297 3.665 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCCCCC1 ZINC001237135155 1131056538 /nfs/dbraw/zinc/05/65/38/1131056538.db2.gz GBQUEWPYTMDTMH-UHFFFAOYSA-N 0 3 273.298 3.787 20 10 CHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C(C)(C)C ZINC001237139752 1131057831 /nfs/dbraw/zinc/05/78/31/1131057831.db2.gz OLLGKGJIPJFENP-UHFFFAOYSA-N 0 3 261.287 3.641 20 10 CHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C(C)(C)C ZINC001237139752 1131057837 /nfs/dbraw/zinc/05/78/37/1131057837.db2.gz OLLGKGJIPJFENP-UHFFFAOYSA-N 0 3 261.287 3.641 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC(CF)CC1 ZINC001237139022 1131058918 /nfs/dbraw/zinc/05/89/18/1131058918.db2.gz BRRSKOKWAAUENO-UHFFFAOYSA-N 0 3 291.288 3.593 20 10 CHCDHN Oc1ccc(C(F)(F)F)cc1CN1CCC(CF)CC1 ZINC001237139022 1131058923 /nfs/dbraw/zinc/05/89/23/1131058923.db2.gz BRRSKOKWAAUENO-UHFFFAOYSA-N 0 3 291.288 3.593 20 10 CHCDHN Cc1cccc(CC[N@@H+](C)Cc2c(C)cccc2[O-])c1 ZINC001237488448 1131103715 /nfs/dbraw/zinc/10/37/15/1131103715.db2.gz XYVGHKRJONNUNY-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN Cc1cccc(CC[N@H+](C)Cc2c(C)cccc2[O-])c1 ZINC001237488448 1131103721 /nfs/dbraw/zinc/10/37/21/1131103721.db2.gz XYVGHKRJONNUNY-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN Cc1nocc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000816508869 1131104491 /nfs/dbraw/zinc/10/44/91/1131104491.db2.gz XHIIZRDNFHUSQS-UHFFFAOYSA-N 0 3 286.375 3.633 20 10 CHCDHN Cc1nocc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000816508869 1131104494 /nfs/dbraw/zinc/10/44/94/1131104494.db2.gz XHIIZRDNFHUSQS-UHFFFAOYSA-N 0 3 286.375 3.633 20 10 CHCDHN Cc1ccc(CC[N@@H+](C)Cc2c(C)cccc2[O-])cc1 ZINC001237488450 1131105092 /nfs/dbraw/zinc/10/50/92/1131105092.db2.gz YBMSYBMLSUFBML-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN Cc1ccc(CC[N@H+](C)Cc2c(C)cccc2[O-])cc1 ZINC001237488450 1131105094 /nfs/dbraw/zinc/10/50/94/1131105094.db2.gz YBMSYBMLSUFBML-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)c([O-])c1 ZINC000816625248 1131113289 /nfs/dbraw/zinc/11/32/89/1131113289.db2.gz YEOQOWGVZUDKBN-MRXNPFEDSA-N 0 3 277.408 3.657 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)c([O-])c1 ZINC000816625248 1131113292 /nfs/dbraw/zinc/11/32/92/1131113292.db2.gz YEOQOWGVZUDKBN-MRXNPFEDSA-N 0 3 277.408 3.657 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000816625218 1131113326 /nfs/dbraw/zinc/11/33/26/1131113326.db2.gz XCXVUELLGDAXHE-YGUOUDRMSA-N 0 3 289.325 3.706 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1[O-] ZINC000816676133 1131123807 /nfs/dbraw/zinc/12/38/07/1131123807.db2.gz TZMXULKOOKLXOK-HNNXBMFYSA-N 0 3 297.826 3.601 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCO[C@H](C(C)C)C2)c1[O-] ZINC000816676133 1131123811 /nfs/dbraw/zinc/12/38/11/1131123811.db2.gz TZMXULKOOKLXOK-HNNXBMFYSA-N 0 3 297.826 3.601 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](F)CC2)c1[O-] ZINC001237681344 1131127010 /nfs/dbraw/zinc/12/70/10/1131127010.db2.gz NGPQOEVINWWBFH-CYBMUJFWSA-N 0 3 271.763 3.678 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](F)CC2)c1[O-] ZINC001237681344 1131127013 /nfs/dbraw/zinc/12/70/13/1131127013.db2.gz NGPQOEVINWWBFH-CYBMUJFWSA-N 0 3 271.763 3.678 20 10 CHCDHN [O-]c1cc(Cl)c(F)cc1C[NH+]1CC2(C1)CCCC2 ZINC001237935650 1131152780 /nfs/dbraw/zinc/15/27/80/1131152780.db2.gz WVTBSKLEAKGFBH-UHFFFAOYSA-N 0 3 269.747 3.561 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817412060 1131160550 /nfs/dbraw/zinc/16/05/50/1131160550.db2.gz BZBBHTANOTVSFX-JTQLQIEISA-N 0 3 291.288 3.696 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817412060 1131160554 /nfs/dbraw/zinc/16/05/54/1131160554.db2.gz BZBBHTANOTVSFX-JTQLQIEISA-N 0 3 291.288 3.696 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CCCC3)CC2)c1[O-] ZINC001238065632 1131166329 /nfs/dbraw/zinc/16/63/29/1131166329.db2.gz WREPMXXTJNAHMN-UHFFFAOYSA-N 0 3 277.383 3.996 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC(F)C3)CC2)c1[O-] ZINC001238059247 1131166465 /nfs/dbraw/zinc/16/64/65/1131166465.db2.gz BHGNSOXBLBSBTR-UHFFFAOYSA-N 0 3 281.346 3.554 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1[O-] ZINC001238062397 1131166816 /nfs/dbraw/zinc/16/68/16/1131166816.db2.gz PNONNUMUZBVPTL-CZUORRHYSA-N 0 3 277.383 3.994 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1[O-] ZINC001238062397 1131166817 /nfs/dbraw/zinc/16/68/17/1131166817.db2.gz PNONNUMUZBVPTL-CZUORRHYSA-N 0 3 277.383 3.994 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)CCc2ccc(F)cc2)c1[O-] ZINC001238061793 1131166930 /nfs/dbraw/zinc/16/69/30/1131166930.db2.gz IJSRGKZOQFGHTM-UHFFFAOYSA-N 0 3 291.341 3.653 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)CCc2ccc(F)cc2)c1[O-] ZINC001238061793 1131166932 /nfs/dbraw/zinc/16/69/32/1131166932.db2.gz IJSRGKZOQFGHTM-UHFFFAOYSA-N 0 3 291.341 3.653 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc(F)ccc1[O-] ZINC000817588271 1131174218 /nfs/dbraw/zinc/17/42/18/1131174218.db2.gz DGGBLCCTZKXSOF-NEPJUHHUSA-N 0 3 295.423 3.715 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC2(O)CCC2)c1[O-] ZINC000817587460 1131174497 /nfs/dbraw/zinc/17/44/97/1131174497.db2.gz XYYWJYRGTQVLMJ-GFCCVEGCSA-N 0 3 297.826 3.700 20 10 CHCDHN CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000817953405 1131190694 /nfs/dbraw/zinc/19/06/94/1131190694.db2.gz MXSDVMPWIABDOC-RDTXWAMCSA-N 0 3 298.430 3.866 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccccc1[O-] ZINC000817975705 1131193652 /nfs/dbraw/zinc/19/36/52/1131193652.db2.gz QEUHVRFBZXCREN-KRWDZBQOSA-N 0 3 296.414 3.991 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC12CC2 ZINC000818229966 1131205331 /nfs/dbraw/zinc/20/53/31/1131205331.db2.gz JYCQNRGNXKAGHS-KRWDZBQOSA-N 0 3 265.356 3.701 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC23CC3)c1[O-] ZINC000818355367 1131210438 /nfs/dbraw/zinc/21/04/38/1131210438.db2.gz DORZBRTWZYHRAG-BXKDBHETSA-N 0 3 296.208 3.666 20 10 CHCDHN Cc1ccccc1C1(NCc2ccc(N(C)C)cc2)CC1 ZINC000829501107 1131422437 /nfs/dbraw/zinc/42/24/37/1131422437.db2.gz XBJWXUBRVVECIE-UHFFFAOYSA-N 0 3 280.415 3.840 20 10 CHCDHN Fc1cccc2c1CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000824468198 1131471709 /nfs/dbraw/zinc/47/17/09/1131471709.db2.gz FZEWRULTVASGJR-GOSISDBHSA-N 0 3 297.373 3.928 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1)c1ccccc1[O-] ZINC000824798827 1131484731 /nfs/dbraw/zinc/48/47/31/1131484731.db2.gz GRYVLRAUADSDTG-UWWQBHOKSA-N 0 3 291.435 3.884 20 10 CHCDHN CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)CCCN2C ZINC001138354485 1131494036 /nfs/dbraw/zinc/49/40/36/1131494036.db2.gz LJSNFKNAGVKPMN-UHFFFAOYSA-N 0 3 298.405 3.840 20 10 CHCDHN CC1(C)COC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000825090607 1131498804 /nfs/dbraw/zinc/49/88/04/1131498804.db2.gz CBZIFBXNFUYULV-GOSISDBHSA-N 0 3 297.398 3.574 20 10 CHCDHN CC[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccccc1[O-] ZINC000825143596 1131500026 /nfs/dbraw/zinc/50/00/26/1131500026.db2.gz GXYYGOFFVYACMG-ORHYLEIMSA-N 0 3 299.361 3.983 20 10 CHCDHN Cc1cccc(CC[N@@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC001140055201 1131660256 /nfs/dbraw/zinc/66/02/56/1131660256.db2.gz NQFXTIBGPRECKI-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1cccc(CC[N@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC001140055201 1131660258 /nfs/dbraw/zinc/66/02/58/1131660258.db2.gz NQFXTIBGPRECKI-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000834581913 1131685076 /nfs/dbraw/zinc/68/50/76/1131685076.db2.gz QYKSPHGAFFMKNU-DOMZBBRYSA-N 0 3 285.391 3.508 20 10 CHCDHN C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834645506 1131690264 /nfs/dbraw/zinc/69/02/64/1131690264.db2.gz FTRHKNCZKVAFKU-RNRVQEDPSA-N 0 3 279.383 3.903 20 10 CHCDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1CCCCO1 ZINC000834680625 1131693405 /nfs/dbraw/zinc/69/34/05/1131693405.db2.gz CYDLMTYWJCUSEO-GDBMZVCRSA-N 0 3 289.419 3.564 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)CC2 ZINC000834693476 1131694546 /nfs/dbraw/zinc/69/45/46/1131694546.db2.gz OWSOUMZZFFBLED-CRAIPNDOSA-N 0 3 280.371 3.515 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000846210217 1131702845 /nfs/dbraw/zinc/70/28/45/1131702845.db2.gz LQAOJSDYFQZANJ-QOKNQOGYSA-N 0 3 297.398 3.963 20 10 CHCDHN CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1(C)C ZINC000834766239 1131703628 /nfs/dbraw/zinc/70/36/28/1131703628.db2.gz RLDPWWKMHGJSLX-CWRNSKLLSA-N 0 3 289.419 3.561 20 10 CHCDHN COC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC(C)CC1 ZINC000834790659 1131705045 /nfs/dbraw/zinc/70/50/45/1131705045.db2.gz UIQZCMGSJHPIMH-DBQDNQAGSA-N 0 3 289.419 3.564 20 10 CHCDHN C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000834794118 1131706754 /nfs/dbraw/zinc/70/67/54/1131706754.db2.gz ORLFOERHPUEFIF-HLPPOEQASA-N 0 3 289.419 3.563 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccnc(C)c1)c1ccc(C)cc1[O-] ZINC000834860419 1131713230 /nfs/dbraw/zinc/71/32/30/1131713230.db2.gz RJZIFDWOKCBYDA-INIZCTEOSA-N 0 3 270.376 3.645 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000834882427 1131716624 /nfs/dbraw/zinc/71/66/24/1131716624.db2.gz JVXMDQORWLRIAK-GJZGRUSLSA-N 0 3 289.419 3.701 20 10 CHCDHN CO[C@@](C)(C[NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000834885012 1131718633 /nfs/dbraw/zinc/71/86/33/1131718633.db2.gz RTOFEVAQZBBSCR-BEFAXECRSA-N 0 3 299.414 3.913 20 10 CHCDHN CC[C@H](N[C@H](C)c1nccn1CC)c1ccc(C)cc1O ZINC000834897181 1131721503 /nfs/dbraw/zinc/72/15/03/1131721503.db2.gz YLMHBZVYPRBFCT-HIFRSBDPSA-N 0 3 287.407 3.719 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)c1[O-] ZINC000834906620 1131728694 /nfs/dbraw/zinc/72/86/94/1131728694.db2.gz YOVRQTABWLWIMD-QWHCGFSZSA-N 0 3 297.826 3.821 20 10 CHCDHN CN(C)c1ccc(/C=C\CN(C)Cc2cccc(O)c2)cc1 ZINC000835025409 1131759625 /nfs/dbraw/zinc/75/96/25/1131759625.db2.gz STVNISYSFTUFPA-ALCCZGGFSA-N 0 3 296.414 3.603 20 10 CHCDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000835025436 1131759944 /nfs/dbraw/zinc/75/99/44/1131759944.db2.gz VJSMIJQBRIRMEH-GJEJWFRCSA-N 0 3 295.430 3.931 20 10 CHCDHN CC[C@H]([NH2+]CCOCCC(C)C)c1ccc(C)cc1[O-] ZINC000794805287 1131767015 /nfs/dbraw/zinc/76/70/15/1131767015.db2.gz PVTDUPZRSWELEA-INIZCTEOSA-N 0 3 279.424 3.804 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000712975640 1131960043 /nfs/dbraw/zinc/96/00/43/1131960043.db2.gz WIUOUKNTUFDRDB-YPMHNXCESA-N 0 3 287.325 3.851 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@H](CF)C2)c(Cl)c1 ZINC001140926003 1131966075 /nfs/dbraw/zinc/96/60/75/1131966075.db2.gz XAWFYASJTIOTCT-GFCCVEGCSA-N 0 3 284.806 3.588 20 10 CHCDHN Cc1ccc(C[N@H+](C)CCc2cccc(F)c2)c([O-])c1 ZINC001140953871 1131971644 /nfs/dbraw/zinc/97/16/44/1131971644.db2.gz IDWAGXSIHSLYQO-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1ccc(C[N@@H+](C)CCc2cccc(F)c2)c([O-])c1 ZINC001140953871 1131971650 /nfs/dbraw/zinc/97/16/50/1131971650.db2.gz IDWAGXSIHSLYQO-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)Cc1ccco1)c1ccccc1[O-] ZINC000036993590 1131985647 /nfs/dbraw/zinc/98/56/47/1131985647.db2.gz WUNCNCKKLKQFEO-IUODEOHRSA-N 0 3 259.349 3.657 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2ccns2)c1 ZINC000715964023 1132000230 /nfs/dbraw/zinc/00/02/30/1132000230.db2.gz CLEYIIDOCHDEFG-GHMZBOCLSA-N 0 3 262.378 3.569 20 10 CHCDHN CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001172328847 1132172892 /nfs/dbraw/zinc/17/28/92/1132172892.db2.gz QFMXGXDHTJRTLG-RDBSUJKOSA-N 0 3 265.397 3.637 20 10 CHCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172541156 1132277756 /nfs/dbraw/zinc/27/77/56/1132277756.db2.gz UJMGORGLAIDEMT-NVXWUHKLSA-N 0 3 297.398 3.914 20 10 CHCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172544427 1132278898 /nfs/dbraw/zinc/27/88/98/1132278898.db2.gz YSXKREUYIIRKHO-NVXWUHKLSA-N 0 3 297.398 3.914 20 10 CHCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000840821579 1132290012 /nfs/dbraw/zinc/29/00/12/1132290012.db2.gz OGWVFPQEUJQLMT-GDLCADMTSA-N 0 3 283.799 3.572 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C)cc1[O-] ZINC000840872308 1132298640 /nfs/dbraw/zinc/29/86/40/1132298640.db2.gz KHQXXYSVLPZEMF-NYTXWWLZSA-N 0 3 277.408 3.555 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)OCC2CC2)c([O-])c1 ZINC000840876409 1132299146 /nfs/dbraw/zinc/29/91/46/1132299146.db2.gz MIYBBPHXABEKJZ-ZDUSSCGKSA-N 0 3 277.408 3.556 20 10 CHCDHN COC1([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000840883497 1132303007 /nfs/dbraw/zinc/30/30/07/1132303007.db2.gz DIZCIWZZYRJFPR-VXGBXAGGSA-N 0 3 297.826 3.962 20 10 CHCDHN Cc1occc1CN(C)Cc1ccc(N(C)C)cc1C ZINC000840911984 1132307719 /nfs/dbraw/zinc/30/77/19/1132307719.db2.gz WQAZUSVIKZJCLE-UHFFFAOYSA-N 0 3 272.392 3.594 20 10 CHCDHN Cc1cc(N(C)C)ccc1CNC1(c2cccc(F)c2)CC1 ZINC000840933642 1132309590 /nfs/dbraw/zinc/30/95/90/1132309590.db2.gz IVAAHNGPXDMJGN-UHFFFAOYSA-N 0 3 298.405 3.979 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC[C@H](F)C1 ZINC001231588824 1132317913 /nfs/dbraw/zinc/31/79/13/1132317913.db2.gz VSBKONZPPDHTOC-AWEZNQCLSA-N 0 3 273.351 3.869 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC[C@H](F)C1 ZINC001231588824 1132317920 /nfs/dbraw/zinc/31/79/20/1132317920.db2.gz VSBKONZPPDHTOC-AWEZNQCLSA-N 0 3 273.351 3.869 20 10 CHCDHN CN(Cc1cncs1)Cc1c(O)ccc2ccccc21 ZINC001231589006 1132318350 /nfs/dbraw/zinc/31/83/50/1132318350.db2.gz AHMZVKJQRBKIEI-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001231586362 1132319263 /nfs/dbraw/zinc/31/92/63/1132319263.db2.gz FWOLVBZJZHIFIH-IBGZPJMESA-N 0 3 297.398 3.690 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001231586362 1132319268 /nfs/dbraw/zinc/31/92/68/1132319268.db2.gz FWOLVBZJZHIFIH-IBGZPJMESA-N 0 3 297.398 3.690 20 10 CHCDHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)[C@@](C)(CO)C1 ZINC001231587620 1132319408 /nfs/dbraw/zinc/31/94/08/1132319408.db2.gz WSCZROIFCKLRNX-LJQANCHMSA-N 0 3 299.414 3.528 20 10 CHCDHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@@](C)(CO)C1 ZINC001231587620 1132319413 /nfs/dbraw/zinc/31/94/13/1132319413.db2.gz WSCZROIFCKLRNX-LJQANCHMSA-N 0 3 299.414 3.528 20 10 CHCDHN Cc1ccc2c(c1)C[C@H]([NH2+]Cc1c(C)cc(C)cc1[O-])CC2 ZINC001172832203 1132324554 /nfs/dbraw/zinc/32/45/54/1132324554.db2.gz REDUAPHVJXPSBF-GOSISDBHSA-N 0 3 295.426 3.965 20 10 CHCDHN Cc1cc(N)cc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000841071245 1132326014 /nfs/dbraw/zinc/32/60/14/1132326014.db2.gz LJEBCBJCXQIDKL-UHFFFAOYSA-N 0 3 290.794 3.534 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccccc1[O-] ZINC000841758360 1132393483 /nfs/dbraw/zinc/39/34/83/1132393483.db2.gz AOTZWCWURABLGJ-DLBZAZTESA-N 0 3 283.371 3.704 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173195880 1132409154 /nfs/dbraw/zinc/40/91/54/1132409154.db2.gz ZMBAHAQRRABIGD-UHFFFAOYSA-N 0 3 297.398 3.872 20 10 CHCDHN CC[C@H]([NH2+]CCC1(COC)CC1)c1ccc(C)cc1[O-] ZINC000842890567 1132473929 /nfs/dbraw/zinc/47/39/29/1132473929.db2.gz HSZYTMXRCBKSRJ-HNNXBMFYSA-N 0 3 277.408 3.558 20 10 CHCDHN Cc1ccccc1C1([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000842887071 1132473935 /nfs/dbraw/zinc/47/39/35/1132473935.db2.gz AKRSETCVJNTGNC-INIZCTEOSA-N 0 3 279.383 3.967 20 10 CHCDHN COc1ccccc1C1(N[C@H]2CCc3cccc(O)c32)CC1 ZINC000842900764 1132474548 /nfs/dbraw/zinc/47/45/48/1132474548.db2.gz HMWMEBGRKGEBJI-HNNXBMFYSA-N 0 3 295.382 3.667 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC23CC3)c1[O-] ZINC001233106859 1132571321 /nfs/dbraw/zinc/57/13/21/1132571321.db2.gz RMXRPVYWOPEKTQ-UHFFFAOYSA-N 0 3 296.208 3.592 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+]2CCCC23CC3)c1[O-] ZINC001233106859 1132571325 /nfs/dbraw/zinc/57/13/25/1132571325.db2.gz RMXRPVYWOPEKTQ-UHFFFAOYSA-N 0 3 296.208 3.592 20 10 CHCDHN Cc1cnccc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001174539270 1132900018 /nfs/dbraw/zinc/90/00/18/1132900018.db2.gz AMBOSYMJSIQUDS-UHFFFAOYSA-N 0 3 289.382 3.729 20 10 CHCDHN COc1ccc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c([O-])c1 ZINC001203629331 1133345854 /nfs/dbraw/zinc/34/58/54/1133345854.db2.gz WOQDGARIUNGGFF-OAHLLOKOSA-N 0 3 289.419 3.803 20 10 CHCDHN COc1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c([O-])c1 ZINC001203629331 1133345859 /nfs/dbraw/zinc/34/58/59/1133345859.db2.gz WOQDGARIUNGGFF-OAHLLOKOSA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+](CC)Cc2ccccc2[O-])cc1 ZINC001203969628 1133391247 /nfs/dbraw/zinc/39/12/47/1133391247.db2.gz GOUKQFOHWXCXDB-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCOc1ccc(C[N@@H+](CC)Cc2ccccc2[O-])cc1 ZINC001203969628 1133391254 /nfs/dbraw/zinc/39/12/54/1133391254.db2.gz GOUKQFOHWXCXDB-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204274904 1133426530 /nfs/dbraw/zinc/42/65/30/1133426530.db2.gz JFSWTPKAMZADFA-UHFFFAOYSA-N 0 3 285.387 3.900 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204274904 1133426533 /nfs/dbraw/zinc/42/65/33/1133426533.db2.gz JFSWTPKAMZADFA-UHFFFAOYSA-N 0 3 285.387 3.900 20 10 CHCDHN CCCCC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204276254 1133426681 /nfs/dbraw/zinc/42/66/81/1133426681.db2.gz IPRHGWOOAMSUFO-UHFFFAOYSA-N 0 3 263.381 3.500 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001204275532 1133426963 /nfs/dbraw/zinc/42/69/63/1133426963.db2.gz VPVAALDJOQZIJO-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001204275532 1133426967 /nfs/dbraw/zinc/42/69/67/1133426967.db2.gz VPVAALDJOQZIJO-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN CC(C)c1ccc([O-])c(C[N@H+](CCCO)CC(C)(C)C)c1 ZINC001204462422 1133450178 /nfs/dbraw/zinc/45/01/78/1133450178.db2.gz ZMCPVHIUMSZMRJ-UHFFFAOYSA-N 0 3 293.451 3.746 20 10 CHCDHN CC(C)c1ccc([O-])c(C[N@@H+](CCCO)CC(C)(C)C)c1 ZINC001204462422 1133450181 /nfs/dbraw/zinc/45/01/81/1133450181.db2.gz ZMCPVHIUMSZMRJ-UHFFFAOYSA-N 0 3 293.451 3.746 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@H](CC(C)C)C2)c([O-])c1 ZINC001204580183 1133464547 /nfs/dbraw/zinc/46/45/47/1133464547.db2.gz MWWGCDTUBUXCET-OAHLLOKOSA-N 0 3 261.409 3.959 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@H](CC(C)C)C2)c([O-])c1 ZINC001204580183 1133464551 /nfs/dbraw/zinc/46/45/51/1133464551.db2.gz MWWGCDTUBUXCET-OAHLLOKOSA-N 0 3 261.409 3.959 20 10 CHCDHN CCc1cccc(CN2CCOc3ccccc3[C@H]2C)c1O ZINC001204721433 1133478248 /nfs/dbraw/zinc/47/82/48/1133478248.db2.gz MBKYQZJVUFOBFI-CQSZACIVSA-N 0 3 297.398 3.910 20 10 CHCDHN CN(C)c1cc(F)c(CN2CCCCCCC2)cc1F ZINC001205108248 1133530933 /nfs/dbraw/zinc/53/09/33/1133530933.db2.gz OCMNWISZDTYBDO-UHFFFAOYSA-N 0 3 282.378 3.797 20 10 CHCDHN CCN(Cc1occc1C)Cc1ccc(N(C)C)cc1C ZINC001206321185 1133689102 /nfs/dbraw/zinc/68/91/02/1133689102.db2.gz QCFBETONBPLSIB-UHFFFAOYSA-N 0 3 286.419 3.985 20 10 CHCDHN Cc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC001207161622 1133774114 /nfs/dbraw/zinc/77/41/14/1133774114.db2.gz ZRVAJJZOKMKWLF-GJZGRUSLSA-N 0 3 269.388 3.982 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCc1cccc(Cl)c1)CC2 ZINC001207426406 1133801351 /nfs/dbraw/zinc/80/13/51/1133801351.db2.gz WWLMBOHVUHBUQJ-UHFFFAOYSA-N 0 3 287.790 3.646 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCc1cccc(Cl)c1)CC2 ZINC001207426406 1133801353 /nfs/dbraw/zinc/80/13/53/1133801353.db2.gz WWLMBOHVUHBUQJ-UHFFFAOYSA-N 0 3 287.790 3.646 20 10 CHCDHN CC[N@H+](CCCc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC001207585113 1133822143 /nfs/dbraw/zinc/82/21/43/1133822143.db2.gz NLHZFVOUTWNIOO-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN CC[N@@H+](CCCc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC001207585113 1133822147 /nfs/dbraw/zinc/82/21/47/1133822147.db2.gz NLHZFVOUTWNIOO-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN C[C@H](CCCC(C)(C)O)CC[N@H+](C)Cc1ccccc1[O-] ZINC001207677924 1133837712 /nfs/dbraw/zinc/83/77/12/1133837712.db2.gz ADRMTFQDWNLJJL-OAHLLOKOSA-N 0 3 293.451 3.791 20 10 CHCDHN C[C@H](CCCC(C)(C)O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC001207677924 1133837717 /nfs/dbraw/zinc/83/77/17/1133837717.db2.gz ADRMTFQDWNLJJL-OAHLLOKOSA-N 0 3 293.451 3.791 20 10 CHCDHN CC1=C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC001208179760 1133898793 /nfs/dbraw/zinc/89/87/93/1133898793.db2.gz BZTRLSXBPHQPQB-HUUCEWRRSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001208179760 1133898797 /nfs/dbraw/zinc/89/87/97/1133898797.db2.gz BZTRLSXBPHQPQB-HUUCEWRRSA-N 0 3 259.393 3.816 20 10 CHCDHN CC[N@H+](CCCc1ccccc1OC)Cc1ccccc1[O-] ZINC001208841340 1133949679 /nfs/dbraw/zinc/94/96/79/1133949679.db2.gz WVFQRVRGQLCDBT-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN CC[N@@H+](CCCc1ccccc1OC)Cc1ccccc1[O-] ZINC001208841340 1133949682 /nfs/dbraw/zinc/94/96/82/1133949682.db2.gz WVFQRVRGQLCDBT-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN CC[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000402657304 1134669594 /nfs/dbraw/zinc/66/95/94/1134669594.db2.gz JJSWRISMMWBODV-PWSUYJOCSA-N 0 3 287.325 3.948 20 10 CHCDHN CC[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000402657307 1134669795 /nfs/dbraw/zinc/66/97/95/1134669795.db2.gz JJSWRISMMWBODV-ZYHUDNBSSA-N 0 3 287.325 3.948 20 10 CHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)[C@@H](C)CO1 ZINC000403825823 1134877465 /nfs/dbraw/zinc/87/74/65/1134877465.db2.gz MLRPVNSDAAPNMU-ZFWWWQNUSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@@H](C)CO1 ZINC000403825823 1134877475 /nfs/dbraw/zinc/87/74/75/1134877475.db2.gz MLRPVNSDAAPNMU-ZFWWWQNUSA-N 0 3 285.387 3.545 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000319309392 1135183354 /nfs/dbraw/zinc/18/33/54/1135183354.db2.gz DUYMIIWTBLAPHZ-UHFFFAOYSA-N 0 3 299.389 3.986 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1)c1ccccc1[O-] ZINC000019962603 170944184 /nfs/dbraw/zinc/94/41/84/170944184.db2.gz FBRZEGQRBREKRX-INIZCTEOSA-N 0 3 255.361 3.942 20 10 CHCDHN COc1cccc(CN[C@H](C)c2ccc(Cl)cc2)c1O ZINC000020121944 171002103 /nfs/dbraw/zinc/00/21/03/171002103.db2.gz RIYAQNSEIKXUBL-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)c1[O-] ZINC000020121944 171002105 /nfs/dbraw/zinc/00/21/05/171002105.db2.gz RIYAQNSEIKXUBL-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](C)c1ccccn1 ZINC000020123635 171004935 /nfs/dbraw/zinc/00/49/35/171004935.db2.gz VJCKLPAXBOICMR-VNHYZAJKSA-N 0 3 282.387 3.995 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)c([O-])c1 ZINC000020127992 171013858 /nfs/dbraw/zinc/01/38/58/171013858.db2.gz YNWWYPKVRNJELE-STQMWFEESA-N 0 3 256.349 3.507 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc(F)c1 ZINC000020147846 171035280 /nfs/dbraw/zinc/03/52/80/171035280.db2.gz KFKFKPMWWUOILU-VXGBXAGGSA-N 0 3 259.324 3.943 20 10 CHCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccco1 ZINC000022146687 171356704 /nfs/dbraw/zinc/35/67/04/171356704.db2.gz MYTCQOLVZRPEPD-AAEUAGOBSA-N 0 3 257.333 3.632 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1[O-] ZINC000074335936 260165015 /nfs/dbraw/zinc/16/50/15/260165015.db2.gz NUULBERGHCXUQD-QGZVFWFLSA-N 0 3 297.398 3.958 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(COC)cc1)c1ccccc1[O-] ZINC000155013524 261097242 /nfs/dbraw/zinc/09/72/42/261097242.db2.gz QUPKTXQZFKHJEG-KRWDZBQOSA-N 0 3 285.387 3.780 20 10 CHCDHN Cc1n[nH]cc1C[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000156785502 261132094 /nfs/dbraw/zinc/13/20/94/261132094.db2.gz DGJFZUQEVMODIK-UHFFFAOYSA-N 0 3 299.418 3.759 20 10 CHCDHN Cc1n[nH]cc1C[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000156785502 261132095 /nfs/dbraw/zinc/13/20/95/261132095.db2.gz DGJFZUQEVMODIK-UHFFFAOYSA-N 0 3 299.418 3.759 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)c([O-])c1C ZINC000157885876 261154772 /nfs/dbraw/zinc/15/47/72/261154772.db2.gz IXMIHGNVQVAYBV-QRTARXTBSA-N 0 3 289.419 3.617 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c([O-])c1C ZINC000157885438 261154957 /nfs/dbraw/zinc/15/49/57/261154957.db2.gz IXMIHGNVQVAYBV-UNEWFSDZSA-N 0 3 289.419 3.617 20 10 CHCDHN CC[C@@H](NCc1ccc(C)nc1)c1ccc(N(C)C)cc1 ZINC000161293852 261242875 /nfs/dbraw/zinc/24/28/75/261242875.db2.gz XMRZUEKBRLZDAK-GOSISDBHSA-N 0 3 283.419 3.697 20 10 CHCDHN CC[C@H](NCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000178475616 261744440 /nfs/dbraw/zinc/74/44/40/261744440.db2.gz OJUCYSYRKNRJAN-INIZCTEOSA-N 0 3 258.365 3.587 20 10 CHCDHN COc1cc(C)cc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183626233 261982577 /nfs/dbraw/zinc/98/25/77/261982577.db2.gz PWNFHSKSNOFJAT-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000185102026 262041032 /nfs/dbraw/zinc/04/10/32/262041032.db2.gz NCKDFIKUZPOZOO-KSSFIOAISA-N 0 3 285.387 3.739 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCCNc2ccccn2)c([O-])c1 ZINC000185325731 262050870 /nfs/dbraw/zinc/05/08/70/262050870.db2.gz BDOSLJYMSDUQBW-OAHLLOKOSA-N 0 3 299.418 3.639 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000185351586 262051720 /nfs/dbraw/zinc/05/17/20/262051720.db2.gz OLWNIBXIKYWFBI-KGLIPLIRSA-N 0 3 285.387 3.688 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCC[C@H](SC)C2)c1 ZINC000185483902 262055790 /nfs/dbraw/zinc/05/57/90/262055790.db2.gz QHIBNKLCLCGPRY-DYEKYZERSA-N 0 3 295.448 3.726 20 10 CHCDHN COC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000186034996 262076176 /nfs/dbraw/zinc/07/61/76/262076176.db2.gz WSCIRYJZTHGHLW-WMLDXEAASA-N 0 3 285.387 3.739 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1ccccc1[O-] ZINC000186127362 262080787 /nfs/dbraw/zinc/08/07/87/262080787.db2.gz QOZSRGOEINITQY-CXAGYDPISA-N 0 3 285.387 3.686 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1[O-] ZINC000186130165 262081052 /nfs/dbraw/zinc/08/10/52/262081052.db2.gz ZGZKOAMUOBOERS-JSGCOSHPSA-N 0 3 293.382 3.674 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000186129099 262081100 /nfs/dbraw/zinc/08/11/00/262081100.db2.gz FTQATLPYURFWKM-CABCVRRESA-N 0 3 289.419 3.843 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186157516 262082525 /nfs/dbraw/zinc/08/25/25/262082525.db2.gz DDOIQOYHEZYWBM-NWDGAFQWSA-N 0 3 288.391 3.760 20 10 CHCDHN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186157481 262082758 /nfs/dbraw/zinc/08/27/58/262082758.db2.gz DDOIQOYHEZYWBM-VXGBXAGGSA-N 0 3 288.391 3.760 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccccc1[O-] ZINC000186602856 262101809 /nfs/dbraw/zinc/10/18/09/262101809.db2.gz APFDNCDCKOVMTG-QGZVFWFLSA-N 0 3 299.414 3.861 20 10 CHCDHN COc1cccc(C[NH2+]Cc2ccc(C3CCC3)cc2)c1[O-] ZINC000277006630 263039255 /nfs/dbraw/zinc/03/92/55/263039255.db2.gz XIGDKUUJRNMJNR-UHFFFAOYSA-N 0 3 297.398 3.958 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000280750772 263064102 /nfs/dbraw/zinc/06/41/02/263064102.db2.gz BQCZFLGKRNKCAS-NEPJUHHUSA-N 0 3 269.335 3.787 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2(c3ccccn3)CCC2)c([O-])c1 ZINC000367712812 267112274 /nfs/dbraw/zinc/11/22/74/267112274.db2.gz NRHOEKBSGLISME-OAHLLOKOSA-N 0 3 296.414 3.868 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c1 ZINC000370372739 267313392 /nfs/dbraw/zinc/31/33/92/267313392.db2.gz CYTPNGANDHPGCV-RDTXWAMCSA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)c1 ZINC000370372739 267313396 /nfs/dbraw/zinc/31/33/96/267313396.db2.gz CYTPNGANDHPGCV-RDTXWAMCSA-N 0 3 296.414 3.538 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1[O-] ZINC000183326258 327819333 /nfs/dbraw/zinc/81/93/33/327819333.db2.gz JUBUWZTVURLPFU-CYBMUJFWSA-N 0 3 276.767 3.682 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000185351779 327838244 /nfs/dbraw/zinc/83/82/44/327838244.db2.gz PHGRNITXQXJBFA-KBPBESRZSA-N 0 3 285.387 3.688 20 10 CHCDHN COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185564737 327841344 /nfs/dbraw/zinc/84/13/44/327841344.db2.gz BTCXRNYNKLCSOK-QWHCGFSZSA-N 0 3 265.397 3.555 20 10 CHCDHN Cc1cccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000271866084 328198655 /nfs/dbraw/zinc/19/86/55/328198655.db2.gz WGHHWMWWDMFOHL-INIZCTEOSA-N 0 3 289.419 3.672 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000285134378 328247434 /nfs/dbraw/zinc/24/74/34/328247434.db2.gz LOFPBIHZDGZPAZ-GJZGRUSLSA-N 0 3 289.419 3.761 20 10 CHCDHN COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000378629395 329057059 /nfs/dbraw/zinc/05/70/59/329057059.db2.gz DJZVSASDSGFIDJ-LRDDRELGSA-N 0 3 299.370 3.575 20 10 CHCDHN COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000378629397 329057207 /nfs/dbraw/zinc/05/72/07/329057207.db2.gz DJZVSASDSGFIDJ-MLGOLLRUSA-N 0 3 299.370 3.575 20 10 CHCDHN Cc1cccc2c1OCC[C@H]2NCc1cc(C)c(C)cc1O ZINC000188877467 329374149 /nfs/dbraw/zinc/37/41/49/329374149.db2.gz VFGDNWAKGBWTBB-QGZVFWFLSA-N 0 3 297.398 3.931 20 10 CHCDHN COCCC1CC[NH+]([C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000527932432 330297521 /nfs/dbraw/zinc/29/75/21/330297521.db2.gz CFXQZUURMUQGGU-OAHLLOKOSA-N 0 3 291.435 3.819 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000527975903 330301972 /nfs/dbraw/zinc/30/19/72/330301972.db2.gz BKCMGXZARXWJII-UONOGXRCSA-N 0 3 275.392 3.798 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(C)cc1[O-] ZINC000528008986 330303839 /nfs/dbraw/zinc/30/38/39/330303839.db2.gz UWXLVSPUGDMGAA-UWRURVRSSA-N 0 3 277.408 3.553 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1 ZINC000195287393 331166121 /nfs/dbraw/zinc/16/61/21/331166121.db2.gz BLNTZBJDKIHNBX-AWEZNQCLSA-N 0 3 296.414 3.625 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000226585351 333265514 /nfs/dbraw/zinc/26/55/14/333265514.db2.gz OKCGVGPKLBJTQI-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN CCC([NH2+]Cc1cccc(C)c1[O-])(C1CC1)C1CC1 ZINC000529644099 333503334 /nfs/dbraw/zinc/50/33/34/333503334.db2.gz NAHAYSZVGXQBLT-UHFFFAOYSA-N 0 3 259.393 3.759 20 10 CHCDHN C[C@H]([NH2+]CCSC(C)(C)C)c1ccccc1[O-] ZINC000272887913 334757258 /nfs/dbraw/zinc/75/72/58/334757258.db2.gz RYZPVBRQCHVJFK-NSHDSACASA-N 0 3 253.411 3.575 20 10 CHCDHN CCCCN1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000037150531 520578133 /nfs/dbraw/zinc/57/81/33/520578133.db2.gz HVTMTOSDLPAVAR-HNNXBMFYSA-N 0 3 290.451 3.616 20 10 CHCDHN CCN(CC)c1ccc(CNC2CC(F)(F)C2)cc1F ZINC000277660174 520905341 /nfs/dbraw/zinc/90/53/41/520905341.db2.gz NYQOJPBCNXSGIQ-UHFFFAOYSA-N 0 3 286.341 3.559 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1[O-] ZINC000280623175 521376193 /nfs/dbraw/zinc/37/61/93/521376193.db2.gz LFIZERWENODHSR-QAQDUYKDSA-N 0 3 297.398 3.827 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280128275 521691026 /nfs/dbraw/zinc/69/10/26/521691026.db2.gz OTRWDXABLOZNKY-INIZCTEOSA-N 0 3 291.435 3.948 20 10 CHCDHN CCOCCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263685502 521703323 /nfs/dbraw/zinc/70/33/23/521703323.db2.gz NOYQTROQATVMLU-UHFFFAOYSA-N 0 3 299.414 3.966 20 10 CHCDHN CCc1ccccc1C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000084200328 521843530 /nfs/dbraw/zinc/84/35/30/521843530.db2.gz CTZZIGWIJUKESY-CYBMUJFWSA-N 0 3 285.387 3.814 20 10 CHCDHN CC[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(C)cc1[O-] ZINC000280074059 522570858 /nfs/dbraw/zinc/57/08/58/522570858.db2.gz LGMYEXHWUBWNCY-HNNXBMFYSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccccc1[O-] ZINC000289846602 522622302 /nfs/dbraw/zinc/62/23/02/522622302.db2.gz BBSPWPUSPVSTJL-CJNGLKHVSA-N 0 3 283.371 3.609 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(C)cc1[O-] ZINC000280036850 522711862 /nfs/dbraw/zinc/71/18/62/522711862.db2.gz IOLQICUMMHZGQI-HPFXQQBRSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC1CCSCC1)c1ccccc1[O-] ZINC000229221995 522823064 /nfs/dbraw/zinc/82/30/64/522823064.db2.gz GTSDKQUMWYZWMS-CQSZACIVSA-N 0 3 265.422 3.576 20 10 CHCDHN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290293420 522964781 /nfs/dbraw/zinc/96/47/81/522964781.db2.gz APQIASJZCRWSBE-OAHLLOKOSA-N 0 3 274.339 3.509 20 10 CHCDHN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290293420 522964787 /nfs/dbraw/zinc/96/47/87/522964787.db2.gz APQIASJZCRWSBE-OAHLLOKOSA-N 0 3 274.339 3.509 20 10 CHCDHN C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037140277 524233990 /nfs/dbraw/zinc/23/39/90/524233990.db2.gz KVFOKGGRXHSFIB-KGLIPLIRSA-N 0 3 285.387 3.770 20 10 CHCDHN Cc1cc(C)c([C@@H](C)NCc2cccc3c2OCO3)c(O)c1 ZINC000293242528 524331801 /nfs/dbraw/zinc/33/18/01/524331801.db2.gz BGGISYGKRZYDFW-CYBMUJFWSA-N 0 3 299.370 3.589 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000061360735 524772916 /nfs/dbraw/zinc/77/29/16/524772916.db2.gz IVIFEZNDICHTPX-QWRGUYRKSA-N 0 3 277.389 3.874 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccsc2)c1 ZINC000061360735 524772928 /nfs/dbraw/zinc/77/29/28/524772928.db2.gz IVIFEZNDICHTPX-QWRGUYRKSA-N 0 3 277.389 3.874 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000071407913 525353153 /nfs/dbraw/zinc/35/31/53/525353153.db2.gz WMPYGTADAPGMGI-QWHCGFSZSA-N 0 3 287.325 3.911 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(F)cc2F)c1 ZINC000051016753 525365170 /nfs/dbraw/zinc/36/51/70/525365170.db2.gz OHGQKBJDZMBOBO-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC(C)(F)F)c([O-])c1C ZINC000297255612 525919521 /nfs/dbraw/zinc/91/95/21/525919521.db2.gz JPNPYKKOGDOGOW-NSHDSACASA-N 0 3 257.324 3.705 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2cc(C)sc2C)c1[O-] ZINC000037123005 526037592 /nfs/dbraw/zinc/03/75/92/526037592.db2.gz SJPVEUIMAZIKPB-LLVKDONJSA-N 0 3 291.416 3.930 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141683 526373467 /nfs/dbraw/zinc/37/34/67/526373467.db2.gz SVSPKHMHTROQBZ-NWDGAFQWSA-N 0 3 273.298 3.603 20 10 CHCDHN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000290343623 526523686 /nfs/dbraw/zinc/52/36/86/526523686.db2.gz FPEAINRNZQGIHU-MRXNPFEDSA-N 0 3 299.418 3.686 20 10 CHCDHN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000290343623 526523692 /nfs/dbraw/zinc/52/36/92/526523692.db2.gz FPEAINRNZQGIHU-MRXNPFEDSA-N 0 3 299.418 3.686 20 10 CHCDHN CSCCCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000312099989 1120991161 /nfs/dbraw/zinc/99/11/61/1120991161.db2.gz UBDFUPNESYLWLK-AWEZNQCLSA-N 0 3 279.449 3.893 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CC2CCC2)c1[O-] ZINC000710248644 1121962543 /nfs/dbraw/zinc/96/25/43/1121962543.db2.gz MWCZYJAOTPWGQZ-JTQLQIEISA-N 0 3 283.799 3.723 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c([O-])c1 ZINC000850537669 1123287935 /nfs/dbraw/zinc/28/79/35/1123287935.db2.gz WXTLHDDXDDVSSV-BXUZGUMPSA-N 0 3 269.335 3.787 20 10 CHCDHN CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1ccc(C)cc1[O-] ZINC000834883179 1131717314 /nfs/dbraw/zinc/71/73/14/1131717314.db2.gz ZQWUEEBDEVZVNO-ZBFHGGJFSA-N 0 3 265.397 3.556 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+](C)C2CC(C)(C)C2)c1[O-] ZINC000839183705 1132188854 /nfs/dbraw/zinc/18/88/54/1132188854.db2.gz AKGPXIAFFUXZED-UHFFFAOYSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+](C)C2CC(C)(C)C2)c1[O-] ZINC000839183705 1132188857 /nfs/dbraw/zinc/18/88/57/1132188857.db2.gz AKGPXIAFFUXZED-UHFFFAOYSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1c(Cl)cccc1CNCc1c(C)cccc1O ZINC000897482385 1125531118 /nfs/dbraw/zinc/53/11/18/1125531118.db2.gz RJSLABALMAYHHA-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN Fc1ccc(C2(NCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000729685755 1125577358 /nfs/dbraw/zinc/57/73/58/1125577358.db2.gz NWHZJPKADPDAIU-UHFFFAOYSA-N 0 3 283.346 3.540 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841756183 1125593868 /nfs/dbraw/zinc/59/38/68/1125593868.db2.gz UTTZCKQSJWDYEQ-UBHSHLNASA-N 0 3 296.842 3.569 20 10 CHCDHN CC[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1[O-] ZINC000088456007 1129205724 /nfs/dbraw/zinc/20/57/24/1129205724.db2.gz UHQIDRUKKXRKHT-INIZCTEOSA-N 0 3 259.393 3.869 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)c1nccs1)c1ccccc1[O-] ZINC000158098593 1126745757 /nfs/dbraw/zinc/74/57/57/1126745757.db2.gz XRCIKVZWVASLAY-YPMHNXCESA-N 0 3 276.405 3.693 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1F ZINC000183499607 1126887938 /nfs/dbraw/zinc/88/79/38/1126887938.db2.gz DWQIOBQSVOIYNM-GFCCVEGCSA-N 0 3 289.350 3.781 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1[O-] ZINC000183466092 1126888020 /nfs/dbraw/zinc/88/80/20/1126888020.db2.gz LDOXOMPBHXQCNG-ZBEGNZNMSA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccc1[O-] ZINC000183527401 1126888791 /nfs/dbraw/zinc/88/87/91/1126888791.db2.gz IAMRWERTWKTRCU-RHSMWYFYSA-N 0 3 285.387 3.557 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000187927016 1126917518 /nfs/dbraw/zinc/91/75/18/1126917518.db2.gz MGJOUWPESOIRTI-BEFAXECRSA-N 0 3 299.414 3.649 20 10 CHCDHN C[C@@H]([NH2+][C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1[O-] ZINC000906594270 1126961020 /nfs/dbraw/zinc/96/10/20/1126961020.db2.gz CTSXMOLYWGBIOE-LYRGGWFBSA-N 0 3 271.335 3.738 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)[C@@H](C)c1cccnc1 ZINC000269334554 1127038238 /nfs/dbraw/zinc/03/82/38/1127038238.db2.gz AZZMWZAJASPKRI-HNNXBMFYSA-N 0 3 283.419 3.731 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284016709 1127169932 /nfs/dbraw/zinc/16/99/32/1127169932.db2.gz HXVXPPMESBQCPZ-MJGOQNOKSA-N 0 3 297.398 3.689 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284016709 1127169935 /nfs/dbraw/zinc/16/99/35/1127169935.db2.gz HXVXPPMESBQCPZ-MJGOQNOKSA-N 0 3 297.398 3.689 20 10 CHCDHN CSCc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000285623064 1127239810 /nfs/dbraw/zinc/23/98/10/1127239810.db2.gz YDRGMWVLLQSVAE-UHFFFAOYSA-N 0 3 299.439 3.774 20 10 CHCDHN C[C@@H](CF)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000288391757 1127336595 /nfs/dbraw/zinc/33/65/95/1127336595.db2.gz GZQZOHXCSFMTFE-LBPRGKRZSA-N 0 3 259.324 3.507 20 10 CHCDHN C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582789 1127411554 /nfs/dbraw/zinc/41/15/54/1127411554.db2.gz BMRVSBDBCGWWGL-ZDUSSCGKSA-N 0 3 273.351 3.642 20 10 CHCDHN CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(C)cc1[O-] ZINC000293632521 1127509721 /nfs/dbraw/zinc/50/97/21/1127509721.db2.gz KFUXOBJENMNPPI-CYBMUJFWSA-N 0 3 269.335 3.787 20 10 CHCDHN CCc1noc(C)c1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000293835231 1127523951 /nfs/dbraw/zinc/52/39/51/1127523951.db2.gz XJWORSYINMPQFR-LBPRGKRZSA-N 0 3 288.391 3.719 20 10 CHCDHN CC[C@H]([NH2+]CCC1(COC)CCC1)c1ccc(C)cc1[O-] ZINC000293848056 1127525487 /nfs/dbraw/zinc/52/54/87/1127525487.db2.gz YEGCHPZRDXGLTH-INIZCTEOSA-N 0 3 291.435 3.948 20 10 CHCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCF ZINC000294122214 1127550477 /nfs/dbraw/zinc/55/04/77/1127550477.db2.gz KUMVCVSNPPQRKI-MRXNPFEDSA-N 0 3 273.351 3.625 20 10 CHCDHN C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1[O-] ZINC000228407673 1127556047 /nfs/dbraw/zinc/55/60/47/1127556047.db2.gz IWNSRKMJLBSCBF-JTQLQIEISA-N 0 3 261.287 3.603 20 10 CHCDHN C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2O1 ZINC000295128632 1127621844 /nfs/dbraw/zinc/62/18/44/1127621844.db2.gz XSMAATWJNYPZMG-CXAGYDPISA-N 0 3 295.382 3.623 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccsc2)c1[O-] ZINC000229051859 1127643225 /nfs/dbraw/zinc/64/32/25/1127643225.db2.gz ZACCIXVXBHCMTH-VIFPVBQESA-N 0 3 297.807 3.967 20 10 CHCDHN Cc1cccnc1CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000296636602 1127679383 /nfs/dbraw/zinc/67/93/83/1127679383.db2.gz XTAQCNSJWNEKJX-CYBMUJFWSA-N 0 3 288.366 3.518 20 10 CHCDHN COc1ccc(CN[C@H](C)c2ccsc2)cc1C ZINC000061361604 1127685728 /nfs/dbraw/zinc/68/57/28/1127685728.db2.gz BSAICHHQRZUCMI-GFCCVEGCSA-N 0 3 261.390 3.916 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3cc(F)ccc31)CC2 ZINC000297619721 1127701921 /nfs/dbraw/zinc/70/19/21/1127701921.db2.gz IWTMLCBPFSNJGZ-CVEARBPZSA-N 0 3 283.346 3.796 20 10 CHCDHN CC(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccnc1 ZINC000297619704 1127702007 /nfs/dbraw/zinc/70/20/07/1127702007.db2.gz IWGOPEIVBAMFMI-IRXDYDNUSA-N 0 3 296.414 3.804 20 10 CHCDHN Cc1cc(C[N@@H+](C)Cc2ccccc2[O-])c(C)s1 ZINC000171937478 1127736014 /nfs/dbraw/zinc/73/60/14/1127736014.db2.gz WXNLGIXMDZQKTN-UHFFFAOYSA-N 0 3 261.390 3.703 20 10 CHCDHN Cc1cc(C[N@H+](C)Cc2ccccc2[O-])c(C)s1 ZINC000171937478 1127736015 /nfs/dbraw/zinc/73/60/15/1127736015.db2.gz WXNLGIXMDZQKTN-UHFFFAOYSA-N 0 3 261.390 3.703 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000371870202 1127782685 /nfs/dbraw/zinc/78/26/85/1127782685.db2.gz OCKZUCCVJNIPNW-LBRJOISOSA-N 0 3 289.419 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccccc1[O-] ZINC000373446218 1127843434 /nfs/dbraw/zinc/84/34/34/1127843434.db2.gz BXEWNOJMKNOTMD-ROUUACIJSA-N 0 3 296.414 3.620 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccccc1[O-] ZINC000373446220 1127843944 /nfs/dbraw/zinc/84/39/44/1127843944.db2.gz BXEWNOJMKNOTMD-ZWKOTPCHSA-N 0 3 296.414 3.620 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1cc(F)ccc1[O-] ZINC000927011918 1128207594 /nfs/dbraw/zinc/20/75/94/1128207594.db2.gz SGZDHWSSNYCBMO-GXTWGEPZSA-N 0 3 293.382 3.674 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c([O-])c1 ZINC000927069477 1128215785 /nfs/dbraw/zinc/21/57/85/1128215785.db2.gz MZIWWHFHWUWBIW-YEWWUXTCSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c([O-])c1 ZINC000927128860 1128220758 /nfs/dbraw/zinc/22/07/58/1128220758.db2.gz MZUZQGZIZDTFIB-CABCVRRESA-N 0 3 289.419 3.843 20 10 CHCDHN COC/C(C)=C/C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929635277 1128280142 /nfs/dbraw/zinc/28/01/42/1128280142.db2.gz IMUKOYSTXTVPMX-RVDMUPIBSA-N 0 3 289.419 3.730 20 10 CHCDHN COC/C(C)=C/C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000929635277 1128280145 /nfs/dbraw/zinc/28/01/45/1128280145.db2.gz IMUKOYSTXTVPMX-RVDMUPIBSA-N 0 3 289.419 3.730 20 10 CHCDHN CCCC[N@H+](C/C=C(/C)COC)Cc1ccccc1[O-] ZINC000930350654 1128315318 /nfs/dbraw/zinc/31/53/18/1128315318.db2.gz ILJFVXHVRNDVCL-GDNBJRDFSA-N 0 3 277.408 3.587 20 10 CHCDHN CCCC[N@@H+](C/C=C(/C)COC)Cc1ccccc1[O-] ZINC000930350654 1128315322 /nfs/dbraw/zinc/31/53/22/1128315322.db2.gz ILJFVXHVRNDVCL-GDNBJRDFSA-N 0 3 277.408 3.587 20 10 CHCDHN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1F ZINC000777970802 1128351515 /nfs/dbraw/zinc/35/15/15/1128351515.db2.gz WGQRSYNCWHOPDA-BLLLJJGKSA-N 0 3 273.351 3.725 20 10 CHCDHN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1F ZINC000777970802 1128351519 /nfs/dbraw/zinc/35/15/19/1128351519.db2.gz WGQRSYNCWHOPDA-BLLLJJGKSA-N 0 3 273.351 3.725 20 10 CHCDHN C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccccc1[O-] ZINC000780793298 1128451801 /nfs/dbraw/zinc/45/18/01/1128451801.db2.gz LCBADQPOALYTCU-JQWIXIFHSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccccc1[O-] ZINC000780793298 1128451802 /nfs/dbraw/zinc/45/18/02/1128451802.db2.gz LCBADQPOALYTCU-JQWIXIFHSA-N 0 3 273.298 3.555 20 10 CHCDHN CCC[C@H](C)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001257467233 1128456684 /nfs/dbraw/zinc/45/66/84/1128456684.db2.gz HQHTZRYEEZRHAS-QWHCGFSZSA-N 0 3 265.397 3.792 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccccc1[O-] ZINC000155668601 1128610742 /nfs/dbraw/zinc/61/07/42/1128610742.db2.gz GVXNRXFZMBCYGZ-SUMWQHHRSA-N 0 3 285.387 3.770 20 10 CHCDHN CC[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccccc1[O-] ZINC000156411036 1128636036 /nfs/dbraw/zinc/63/60/36/1128636036.db2.gz YBIXAVSRZXDXAC-DLBZAZTESA-N 0 3 291.435 3.764 20 10 CHCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])Cc2ccccc21 ZINC000778995443 1128674689 /nfs/dbraw/zinc/67/46/89/1128674689.db2.gz RSTWTODCVHHRPT-ZDUSSCGKSA-N 0 3 253.345 3.512 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])Cc2ccccc21 ZINC000778995443 1128674693 /nfs/dbraw/zinc/67/46/93/1128674693.db2.gz RSTWTODCVHHRPT-ZDUSSCGKSA-N 0 3 253.345 3.512 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000778996447 1128675339 /nfs/dbraw/zinc/67/53/39/1128675339.db2.gz PDGVWIDVKFHXIC-UHFFFAOYSA-N 0 3 289.325 3.835 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000778996447 1128675340 /nfs/dbraw/zinc/67/53/40/1128675340.db2.gz PDGVWIDVKFHXIC-UHFFFAOYSA-N 0 3 289.325 3.835 20 10 CHCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000778998905 1128675352 /nfs/dbraw/zinc/67/53/52/1128675352.db2.gz FEKWABHUIMDREI-QGZVFWFLSA-N 0 3 267.372 3.975 20 10 CHCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000778998905 1128675354 /nfs/dbraw/zinc/67/53/54/1128675354.db2.gz FEKWABHUIMDREI-QGZVFWFLSA-N 0 3 267.372 3.975 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000779000022 1128676218 /nfs/dbraw/zinc/67/62/18/1128676218.db2.gz SNHPNFHMFVQACK-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000779000022 1128676220 /nfs/dbraw/zinc/67/62/20/1128676220.db2.gz SNHPNFHMFVQACK-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN C[N@H+](CCc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC000779003689 1128676265 /nfs/dbraw/zinc/67/62/65/1128676265.db2.gz NWOKTYQUFBZGMJ-UHFFFAOYSA-N 0 3 275.779 3.720 20 10 CHCDHN C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC000779003689 1128676268 /nfs/dbraw/zinc/67/62/68/1128676268.db2.gz NWOKTYQUFBZGMJ-UHFFFAOYSA-N 0 3 275.779 3.720 20 10 CHCDHN CCS[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779015667 1128679826 /nfs/dbraw/zinc/67/98/26/1128679826.db2.gz AOEFUAAPOHEGBZ-CQSZACIVSA-N 0 3 283.412 3.639 20 10 CHCDHN CCS[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779015667 1128679828 /nfs/dbraw/zinc/67/98/28/1128679828.db2.gz AOEFUAAPOHEGBZ-CQSZACIVSA-N 0 3 283.412 3.639 20 10 CHCDHN CN(Cc1ccc(Cl)c(F)c1)Cc1cc(F)ccc1O ZINC000779029500 1128689405 /nfs/dbraw/zinc/68/94/05/1128689405.db2.gz HKIAVMFRYLDRFP-UHFFFAOYSA-N 0 3 297.732 3.956 20 10 CHCDHN Cc1cc(O)c(CN2C[C@H](C)OC(C)(C)C2)cc1C(C)C ZINC000920865434 1128693945 /nfs/dbraw/zinc/69/39/45/1128693945.db2.gz CAAMDAAENKGJHB-AWEZNQCLSA-N 0 3 291.435 3.823 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2CC2)c1[O-] ZINC000779036340 1128697995 /nfs/dbraw/zinc/69/79/95/1128697995.db2.gz MNSAWQOLPARDON-SNVBAGLBSA-N 0 3 298.224 3.914 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)c2c1c(F)ccc2[O-] ZINC000779078459 1128721804 /nfs/dbraw/zinc/72/18/04/1128721804.db2.gz GHNFBFVAPXSAAX-NTZNESFSSA-N 0 3 293.382 3.627 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000779078558 1128722008 /nfs/dbraw/zinc/72/20/08/1128722008.db2.gz RRJBSBNBBSTRIC-UHFFFAOYSA-N 0 3 291.753 3.964 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000779080898 1128723592 /nfs/dbraw/zinc/72/35/92/1128723592.db2.gz FINZPCFCNDPXLJ-SLEUVZQESA-N 0 3 263.356 3.590 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1C ZINC000160160287 1117747195 /nfs/dbraw/zinc/74/71/95/1117747195.db2.gz OZZQUVVRVFTPPS-IBGZPJMESA-N 0 3 299.414 3.646 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1C ZINC000160160287 1117747201 /nfs/dbraw/zinc/74/72/01/1117747201.db2.gz OZZQUVVRVFTPPS-IBGZPJMESA-N 0 3 299.414 3.646 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2c(F)cccc2F)c([O-])c1 ZINC000185067788 1117759115 /nfs/dbraw/zinc/75/91/15/1117759115.db2.gz CXKNWFMRNHNVFZ-LBPRGKRZSA-N 0 3 291.341 3.872 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000049577323 1117782062 /nfs/dbraw/zinc/78/20/62/1117782062.db2.gz JEXDFSQHBZGKIJ-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000185377822 1117814405 /nfs/dbraw/zinc/81/44/05/1117814405.db2.gz NFWJSQPNGQPYST-GFCCVEGCSA-N 0 3 284.334 3.562 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C12CCC2 ZINC000185551700 1117844294 /nfs/dbraw/zinc/84/42/94/1117844294.db2.gz NYFCLDBDPWWMRK-KNXALSJPSA-N 0 3 293.382 3.530 20 10 CHCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179646425 1128751975 /nfs/dbraw/zinc/75/19/75/1128751975.db2.gz MJSQBUXBCPQAHC-MAUKXSAKSA-N 0 3 299.414 3.726 20 10 CHCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179646425 1128751978 /nfs/dbraw/zinc/75/19/78/1128751978.db2.gz MJSQBUXBCPQAHC-MAUKXSAKSA-N 0 3 299.414 3.726 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1 ZINC000765608670 1118182320 /nfs/dbraw/zinc/18/23/20/1118182320.db2.gz ITJKZEZLNWNUOD-NSHDSACASA-N 0 3 289.325 3.751 20 10 CHCDHN Cc1cc(C)cc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000693131059 1118219014 /nfs/dbraw/zinc/21/90/14/1118219014.db2.gz MEDNRVSMXNKSPT-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179893756 1128764309 /nfs/dbraw/zinc/76/43/09/1128764309.db2.gz KZGWAULFKDECOT-NSHDSACASA-N 0 3 277.314 3.863 20 10 CHCDHN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179893756 1128764310 /nfs/dbraw/zinc/76/43/10/1128764310.db2.gz KZGWAULFKDECOT-NSHDSACASA-N 0 3 277.314 3.863 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000179887071 1128765037 /nfs/dbraw/zinc/76/50/37/1128765037.db2.gz KLOPKZSBIYJIAC-CYBMUJFWSA-N 0 3 277.364 3.930 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000179887071 1128765039 /nfs/dbraw/zinc/76/50/39/1128765039.db2.gz KLOPKZSBIYJIAC-CYBMUJFWSA-N 0 3 277.364 3.930 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cccc(C)c1O ZINC000179929262 1128768352 /nfs/dbraw/zinc/76/83/52/1128768352.db2.gz MWCFAIGAZFWCLP-UHFFFAOYSA-N 0 3 285.387 3.818 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cccc(C)c1O ZINC000179929262 1128768356 /nfs/dbraw/zinc/76/83/56/1128768356.db2.gz MWCFAIGAZFWCLP-UHFFFAOYSA-N 0 3 285.387 3.818 20 10 CHCDHN Cc1cc(C)cc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000693192800 1118369473 /nfs/dbraw/zinc/36/94/73/1118369473.db2.gz KJOWMDATNNUODE-INIZCTEOSA-N 0 3 267.372 3.786 20 10 CHCDHN CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180250107 1128783266 /nfs/dbraw/zinc/78/32/66/1128783266.db2.gz XKEFECGUDUDGFX-KBPBESRZSA-N 0 3 283.412 3.637 20 10 CHCDHN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180250107 1128783268 /nfs/dbraw/zinc/78/32/68/1128783268.db2.gz XKEFECGUDUDGFX-KBPBESRZSA-N 0 3 283.412 3.637 20 10 CHCDHN CC[C@H]([NH2+]CCOC(C)(C)CC)c1ccccc1[O-] ZINC000308633668 1118743385 /nfs/dbraw/zinc/74/33/85/1118743385.db2.gz AECIRJPIMDNPEK-AWEZNQCLSA-N 0 3 265.397 3.638 20 10 CHCDHN CCC[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccccc1[O-] ZINC000891853323 1118804192 /nfs/dbraw/zinc/80/41/92/1118804192.db2.gz ITJSLXPEKDQPRI-UHFFFAOYSA-N 0 3 299.418 3.726 20 10 CHCDHN CCC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccccc1[O-] ZINC000891853323 1118804198 /nfs/dbraw/zinc/80/41/98/1118804198.db2.gz ITJSLXPEKDQPRI-UHFFFAOYSA-N 0 3 299.418 3.726 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000179560965 1119750806 /nfs/dbraw/zinc/75/08/06/1119750806.db2.gz QRKZJINVRVWFFN-AWEZNQCLSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000179560965 1119750809 /nfs/dbraw/zinc/75/08/09/1119750809.db2.gz QRKZJINVRVWFFN-AWEZNQCLSA-N 0 3 285.387 3.984 20 10 CHCDHN CSc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000179887210 1119791043 /nfs/dbraw/zinc/79/10/43/1119791043.db2.gz LQSDIXSZKAQKMV-LBPRGKRZSA-N 0 3 273.401 3.965 20 10 CHCDHN Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccccc1[O-] ZINC000892793135 1120142525 /nfs/dbraw/zinc/14/25/25/1120142525.db2.gz WQKPPDFQUBXHTB-UHFFFAOYSA-N 0 3 273.376 3.881 20 10 CHCDHN Fc1ccc(CNCc2ccc3c(c2)CCO3)cc1Cl ZINC000053149011 1120183730 /nfs/dbraw/zinc/18/37/30/1120183730.db2.gz GYESZMOHYOGFCB-UHFFFAOYSA-N 0 3 291.753 3.704 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1[O-] ZINC000186462871 1120204568 /nfs/dbraw/zinc/20/45/68/1120204568.db2.gz YOVIRVBKVXFVSK-ZDUSSCGKSA-N 0 3 278.355 3.791 20 10 CHCDHN CC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000921774703 1120207589 /nfs/dbraw/zinc/20/75/89/1120207589.db2.gz AJWDCISMFQADSW-QGZVFWFLSA-N 0 3 282.387 3.648 20 10 CHCDHN COc1cccc(CN2CCc3sccc3[C@@H]2C)c1O ZINC000271018992 1120226179 /nfs/dbraw/zinc/22/61/79/1120226179.db2.gz AYZAPYHKWGZKDK-NSHDSACASA-N 0 3 289.400 3.582 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cc(F)ccc1[O-] ZINC000186500143 1120241726 /nfs/dbraw/zinc/24/17/26/1120241726.db2.gz OSBFLTMPTTVRQG-YGRLFVJLSA-N 0 3 281.371 3.528 20 10 CHCDHN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(N2CCCCC2)cc1 ZINC000271460993 1120254377 /nfs/dbraw/zinc/25/43/77/1120254377.db2.gz HJKONTUCBAHXAP-CABCVRRESA-N 0 3 298.434 3.812 20 10 CHCDHN Cc1ccncc1[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921960396 1120306900 /nfs/dbraw/zinc/30/69/00/1120306900.db2.gz LNJKOJPASGDJAY-CQSZACIVSA-N 0 3 282.387 3.566 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000182790965 1120328447 /nfs/dbraw/zinc/32/84/47/1120328447.db2.gz XZCCCKDIQWNOPN-ZFWWWQNUSA-N 0 3 267.372 3.773 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c([O-])c1 ZINC000186093613 1120391018 /nfs/dbraw/zinc/39/10/18/1120391018.db2.gz PGJLGILSQLLRBW-HDMKZQKVSA-N 0 3 291.435 3.802 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCC3(CC3)CC1)CC2 ZINC000695716605 1120405296 /nfs/dbraw/zinc/40/52/96/1120405296.db2.gz LFEZIKUZFBANFE-AWEZNQCLSA-N 0 3 257.377 3.692 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1ccccc1[O-] ZINC000019909218 1120544678 /nfs/dbraw/zinc/54/46/78/1120544678.db2.gz KLQMSXJLRZKYRJ-MRXNPFEDSA-N 0 3 271.360 3.642 20 10 CHCDHN COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020096745 1120583940 /nfs/dbraw/zinc/58/39/40/1120583940.db2.gz BTASRJDHHMNLDA-CHWSQXEVSA-N 0 3 271.360 3.813 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCSc1ccccc1)CC2 ZINC000312888304 1120653554 /nfs/dbraw/zinc/65/35/54/1120653554.db2.gz WGSWRWBDWIMRKB-HNNXBMFYSA-N 0 3 285.412 3.761 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccoc1 ZINC000766028063 1120670107 /nfs/dbraw/zinc/67/01/07/1120670107.db2.gz CYALQZUQMHIILI-CYBMUJFWSA-N 0 3 258.365 3.505 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCOC1 ZINC000093839873 1120887292 /nfs/dbraw/zinc/88/72/92/1120887292.db2.gz WMEBTUYZOWJATP-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCOC1 ZINC000093839873 1120887295 /nfs/dbraw/zinc/88/72/95/1120887295.db2.gz WMEBTUYZOWJATP-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN COCc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000038010617 1121094597 /nfs/dbraw/zinc/09/45/97/1121094597.db2.gz SWXZPZKGBYEGPY-AWEZNQCLSA-N 0 3 285.387 3.698 20 10 CHCDHN CCc1cnccc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000773427286 1121099556 /nfs/dbraw/zinc/09/95/56/1121099556.db2.gz JSEQGDBVGPXDJD-AWEZNQCLSA-N 0 3 283.419 3.561 20 10 CHCDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000066236445 1121202910 /nfs/dbraw/zinc/20/29/10/1121202910.db2.gz MVFGKDCSALDCTP-HNNXBMFYSA-N 0 3 298.430 3.920 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000711458525 1121536883 /nfs/dbraw/zinc/53/68/83/1121536883.db2.gz XNCNFHDMQAIDLC-DZGCQCFKSA-N 0 3 275.392 3.535 20 10 CHCDHN CCN(C)c1ccc(CN(C)[C@H](C)c2ccco2)cc1 ZINC000773746623 1121790536 /nfs/dbraw/zinc/79/05/36/1121790536.db2.gz NBMDDLYBJOLQKP-CQSZACIVSA-N 0 3 272.392 3.929 20 10 CHCDHN CC(C)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182942732 1129012769 /nfs/dbraw/zinc/01/27/69/1129012769.db2.gz VVNSKAQWRNGBRT-UHFFFAOYSA-N 0 3 285.387 3.811 20 10 CHCDHN CC(C)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182942732 1129012773 /nfs/dbraw/zinc/01/27/73/1129012773.db2.gz VVNSKAQWRNGBRT-UHFFFAOYSA-N 0 3 285.387 3.811 20 10 CHCDHN CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000733323300 1121976161 /nfs/dbraw/zinc/97/61/61/1121976161.db2.gz XQBWBMUBNPWIKH-UHFFFAOYSA-N 0 3 255.361 3.949 20 10 CHCDHN CCCCOCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613764 1122001452 /nfs/dbraw/zinc/00/14/52/1122001452.db2.gz KSPNADHIWWXPTI-UHFFFAOYSA-N 0 3 291.435 3.954 20 10 CHCDHN CCCCOCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613764 1122001459 /nfs/dbraw/zinc/00/14/59/1122001459.db2.gz KSPNADHIWWXPTI-UHFFFAOYSA-N 0 3 291.435 3.954 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1[O-] ZINC000271876965 1122180327 /nfs/dbraw/zinc/18/03/27/1122180327.db2.gz ZPCKNULJECZIPA-CQSZACIVSA-N 0 3 295.810 3.545 20 10 CHCDHN CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CCO1 ZINC000272895342 1122215089 /nfs/dbraw/zinc/21/50/89/1122215089.db2.gz UCOKMZLEGVZWJF-RRFJBIMHSA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1ccc(C[NH+]2CC([C@H]3CCC[C@@H](C)C3)C2)c([O-])c1 ZINC001183441908 1122223426 /nfs/dbraw/zinc/22/34/26/1122223426.db2.gz BDDMGHRZCZOZPG-HIFRSBDPSA-N 0 3 273.420 3.959 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c([O-])c1 ZINC000273347154 1122229496 /nfs/dbraw/zinc/22/94/96/1122229496.db2.gz AZWJHQLDCYWWAX-CABCVRRESA-N 0 3 291.435 3.540 20 10 CHCDHN CC1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCC1 ZINC000774819881 1122317969 /nfs/dbraw/zinc/31/79/69/1122317969.db2.gz APXHJSVRUCMRMU-INIZCTEOSA-N 0 3 289.419 3.563 20 10 CHCDHN CC1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CCC1 ZINC000774819881 1122317973 /nfs/dbraw/zinc/31/79/73/1122317973.db2.gz APXHJSVRUCMRMU-INIZCTEOSA-N 0 3 289.419 3.563 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCS2)c([O-])c1 ZINC000133962489 1122438110 /nfs/dbraw/zinc/43/81/10/1122438110.db2.gz LSKRTNKOCNHFSD-SWLSCSKDSA-N 0 3 265.422 3.637 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCC(C)(C)F)c1[O-] ZINC000827189900 1122481994 /nfs/dbraw/zinc/48/19/94/1122481994.db2.gz OKWQPFSQHOXELL-UHFFFAOYSA-N 0 3 259.752 3.582 20 10 CHCDHN Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183533715 1129060858 /nfs/dbraw/zinc/06/08/58/1129060858.db2.gz YNMMOZNNJXCJAT-CABCVRRESA-N 0 3 285.387 3.819 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C12CCCC2 ZINC000183537975 1129061133 /nfs/dbraw/zinc/06/11/33/1129061133.db2.gz QKQSUIJRXQZVQO-IAOVAPTHSA-N 0 3 289.419 3.781 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])Cc1cccs1 ZINC000183531621 1129061824 /nfs/dbraw/zinc/06/18/24/1129061824.db2.gz ISXQVXIEVWROQI-OLZOCXBDSA-N 0 3 275.417 3.983 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(C)cc1)c1ccccc1[O-] ZINC000775412537 1122554846 /nfs/dbraw/zinc/55/48/46/1122554846.db2.gz OAGLFLVNRBXTKQ-QGZVFWFLSA-N 0 3 269.388 3.984 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1[O-] ZINC000775413769 1122555850 /nfs/dbraw/zinc/55/58/50/1122555850.db2.gz AQKDBMGJBGUWTI-AWEZNQCLSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@H](NCc1cccc(F)c1F)c1ccccc1O ZINC000775413769 1122555853 /nfs/dbraw/zinc/55/58/53/1122555853.db2.gz AQKDBMGJBGUWTI-AWEZNQCLSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1[O-] ZINC000775503557 1122630826 /nfs/dbraw/zinc/63/08/26/1122630826.db2.gz JFZKUOLCLUQOPF-INIZCTEOSA-N 0 3 291.341 3.954 20 10 CHCDHN CN(Cc1ccc(F)c(Cl)c1)Cc1cc(F)ccc1O ZINC000763624530 1129070837 /nfs/dbraw/zinc/07/08/37/1129070837.db2.gz XPIOELIVGGVXKA-UHFFFAOYSA-N 0 3 297.732 3.956 20 10 CHCDHN CC(C)(C)OC1CC(CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000763627810 1129077877 /nfs/dbraw/zinc/07/78/77/1129077877.db2.gz VFKYTNJBATYAMF-UHFFFAOYSA-N 0 3 295.398 3.605 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000775649395 1122863297 /nfs/dbraw/zinc/86/32/97/1122863297.db2.gz KCYZGWFDSHEGKM-SNVBAGLBSA-N 0 3 298.224 3.693 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000775649395 1122863305 /nfs/dbraw/zinc/86/33/05/1122863305.db2.gz KCYZGWFDSHEGKM-SNVBAGLBSA-N 0 3 298.224 3.693 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCC2CC2)c1[O-] ZINC000775740335 1122930243 /nfs/dbraw/zinc/93/02/43/1122930243.db2.gz VBIVKDNXOPKPGJ-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)CCC2CC2)c1[O-] ZINC000775740335 1122930241 /nfs/dbraw/zinc/93/02/41/1122930241.db2.gz VBIVKDNXOPKPGJ-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN CCC[N@H+](Cc1ccoc1C)Cc1ccccc1[O-] ZINC000840913195 1122972581 /nfs/dbraw/zinc/97/25/81/1122972581.db2.gz UBQXRIJGMBCTBX-UHFFFAOYSA-N 0 3 259.349 3.706 20 10 CHCDHN CCC[N@@H+](Cc1ccoc1C)Cc1ccccc1[O-] ZINC000840913195 1122972585 /nfs/dbraw/zinc/97/25/85/1122972585.db2.gz UBQXRIJGMBCTBX-UHFFFAOYSA-N 0 3 259.349 3.706 20 10 CHCDHN C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000776014049 1123035179 /nfs/dbraw/zinc/03/51/79/1123035179.db2.gz QGVSAHASFPGBQN-CMPLNLGQSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccccc1[O-] ZINC000776014049 1123035184 /nfs/dbraw/zinc/03/51/84/1123035184.db2.gz QGVSAHASFPGBQN-CMPLNLGQSA-N 0 3 273.298 3.555 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2cccnc2)c1[O-] ZINC000776175199 1123102615 /nfs/dbraw/zinc/10/26/15/1123102615.db2.gz YIRMSHKTNFVDME-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN COc1ccc2c(c1)c1c(n2C)CCN(CC2CCCC2)C1 ZINC001202167391 1123180457 /nfs/dbraw/zinc/18/04/57/1123180457.db2.gz XIRGMMQFUMVYCG-UHFFFAOYSA-N 0 3 298.430 3.735 20 10 CHCDHN CSCC1(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000850507474 1123277380 /nfs/dbraw/zinc/27/73/80/1123277380.db2.gz OKKXWMQNEAEMIC-CYBMUJFWSA-N 0 3 277.433 3.502 20 10 CHCDHN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000850515347 1123278983 /nfs/dbraw/zinc/27/89/83/1123278983.db2.gz WUPADWCTQPIVCE-RAIGVLPGSA-N 0 3 283.799 3.572 20 10 CHCDHN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000850515346 1123279195 /nfs/dbraw/zinc/27/91/95/1123279195.db2.gz WUPADWCTQPIVCE-DRZSPHRISA-N 0 3 283.799 3.572 20 10 CHCDHN C[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850527621 1123282697 /nfs/dbraw/zinc/28/26/97/1123282697.db2.gz AYPSYUFURNHUMF-BKTGTZMESA-N 0 3 296.414 3.582 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)c2c1c(F)ccc2[O-] ZINC000850532286 1123286108 /nfs/dbraw/zinc/28/61/08/1123286108.db2.gz SRMHLLXRFWTJMA-MWLCHTKSSA-N 0 3 269.335 3.807 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccoc2)c1[O-] ZINC000850532776 1123286372 /nfs/dbraw/zinc/28/63/72/1123286372.db2.gz XDZMDRHRTKWUHG-LLVKDONJSA-N 0 3 279.767 3.840 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)c([O-])c1 ZINC000850543308 1123289330 /nfs/dbraw/zinc/28/93/30/1123289330.db2.gz HPEUNDOTHRSVMN-PXAZEXFGSA-N 0 3 283.371 3.744 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c1[O-] ZINC000850570411 1123294322 /nfs/dbraw/zinc/29/43/22/1123294322.db2.gz GYLIRWZCUDAAAC-RYUDHWBXSA-N 0 3 297.826 3.820 20 10 CHCDHN CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)c1ccccc1[O-] ZINC000850582911 1123295891 /nfs/dbraw/zinc/29/58/91/1123295891.db2.gz HOTIWSBEYJPSRQ-OWQGQXMQSA-N 0 3 285.387 3.555 20 10 CHCDHN C[N@H+](Cc1cccc(OC(F)F)c1)Cc1ccccc1[O-] ZINC000111234999 1123432485 /nfs/dbraw/zinc/43/24/85/1123432485.db2.gz NWLKRQCGJMVUCJ-UHFFFAOYSA-N 0 3 293.313 3.626 20 10 CHCDHN C[N@@H+](Cc1cccc(OC(F)F)c1)Cc1ccccc1[O-] ZINC000111234999 1123432488 /nfs/dbraw/zinc/43/24/88/1123432488.db2.gz NWLKRQCGJMVUCJ-UHFFFAOYSA-N 0 3 293.313 3.626 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)c([O-])c1 ZINC000854226891 1123477859 /nfs/dbraw/zinc/47/78/59/1123477859.db2.gz SBDJWBSGYQDJMN-SJCJKPOMSA-N 0 3 282.387 3.621 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccccc1[O-] ZINC000854226054 1123478140 /nfs/dbraw/zinc/47/81/40/1123478140.db2.gz MNPGJUPOYZBAPG-IAGOWNOFSA-N 0 3 282.387 3.703 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)[C@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000895851044 1123521863 /nfs/dbraw/zinc/52/18/63/1123521863.db2.gz IIJUPZQVTPKIFR-SQWLQELKSA-N 0 3 297.398 3.683 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(C)cc1[O-] ZINC000857080643 1123584668 /nfs/dbraw/zinc/58/46/68/1123584668.db2.gz JZBDXYIHDCYYFO-AAEUAGOBSA-N 0 3 269.335 3.787 20 10 CHCDHN COc1ccc(F)c(CN[C@H](C)c2cc(F)ccc2O)c1 ZINC000857082530 1123585705 /nfs/dbraw/zinc/58/57/05/1123585705.db2.gz WXHWCBYUUCREJM-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC(C)(C)C2)c1[O-] ZINC000228630645 1123634224 /nfs/dbraw/zinc/63/42/24/1123634224.db2.gz GEPNCHFVFXQWAG-UHFFFAOYSA-N 0 3 283.799 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCCC(C)(C)C2)c1[O-] ZINC000228630645 1123634226 /nfs/dbraw/zinc/63/42/26/1123634226.db2.gz GEPNCHFVFXQWAG-UHFFFAOYSA-N 0 3 283.799 3.676 20 10 CHCDHN CN(C)c1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858238578 1123639244 /nfs/dbraw/zinc/63/92/44/1123639244.db2.gz WMTVKSFFMJHATG-LJQANCHMSA-N 0 3 295.430 3.779 20 10 CHCDHN CC[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1[O-] ZINC000858538918 1123661411 /nfs/dbraw/zinc/66/14/11/1123661411.db2.gz ZATKSKUOWMHZJD-IARIHHJXSA-N 0 3 259.393 3.869 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000194990389 1129140338 /nfs/dbraw/zinc/14/03/38/1129140338.db2.gz JVNWZBGSDUMWSJ-HUUCEWRRSA-N 0 3 298.430 3.538 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccnc(F)c1C ZINC000862236322 1123794617 /nfs/dbraw/zinc/79/46/17/1123794617.db2.gz AEMCIKBNNWSMTO-UHFFFAOYSA-N 0 3 288.366 3.647 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccnc(F)c1C ZINC000862236322 1123794620 /nfs/dbraw/zinc/79/46/20/1123794620.db2.gz AEMCIKBNNWSMTO-UHFFFAOYSA-N 0 3 288.366 3.647 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000862539823 1123818634 /nfs/dbraw/zinc/81/86/34/1123818634.db2.gz WFONBXPPUOSRII-HNNXBMFYSA-N 0 3 291.753 3.962 20 10 CHCDHN CCCCOCCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794796450 1123949535 /nfs/dbraw/zinc/94/95/35/1123949535.db2.gz UJEPSFTXDIYPSK-MRXNPFEDSA-N 0 3 279.424 3.948 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1ccc(C)cc1[O-] ZINC000794800314 1123950300 /nfs/dbraw/zinc/95/03/00/1123950300.db2.gz CHMGFFZXTFUYEX-YOEHRIQHSA-N 0 3 284.403 3.940 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)CN1CCCCC1)c1ccc(C)cc1[O-] ZINC000794799144 1123950714 /nfs/dbraw/zinc/95/07/14/1123950714.db2.gz ZAWOPKRJJPIWLC-WBVHZDCISA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1ccc(C)cc1[O-] ZINC000794800313 1123951079 /nfs/dbraw/zinc/95/10/79/1123951079.db2.gz CHMGFFZXTFUYEX-WMLDXEAASA-N 0 3 284.403 3.940 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)c1ccc(C)cc1[O-] ZINC000794806994 1123953971 /nfs/dbraw/zinc/95/39/71/1123953971.db2.gz JDDQLSJVUWTYGM-DOTOQJQBSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)c1ccccc1C)c1ccc(C)cc1[O-] ZINC000794806393 1123955779 /nfs/dbraw/zinc/95/57/79/1123955779.db2.gz IGRZQFFERPBBPV-HKUYNNGSSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccc(C)cc1[O-] ZINC000794814689 1123958122 /nfs/dbraw/zinc/95/81/22/1123958122.db2.gz HYCCHVUKPLDRPD-OCCSQVGLSA-N 0 3 258.365 3.831 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(C)cc1[O-] ZINC000794812535 1123959256 /nfs/dbraw/zinc/95/92/56/1123959256.db2.gz XCPIDPKFDAHLGN-GXTWGEPZSA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(C)cc1[O-] ZINC000794818972 1123960491 /nfs/dbraw/zinc/96/04/91/1123960491.db2.gz ZWSOTYIGKUXIIK-HIFRSBDPSA-N 0 3 277.408 3.699 20 10 CHCDHN Cc1ccc2nccc(N(C)Cc3ccccc3O)c2c1 ZINC000302683742 1123977361 /nfs/dbraw/zinc/97/73/61/1123977361.db2.gz XQWWOVNCHWYLME-UHFFFAOYSA-N 0 3 278.355 3.885 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c([O-])c1 ZINC000866562141 1124082087 /nfs/dbraw/zinc/08/20/87/1124082087.db2.gz CRGMOEDQSCWWTF-KDOFPFPSSA-N 0 3 296.414 3.538 20 10 CHCDHN CC[C@H](NCc1c(F)cccc1OC)c1ccccc1O ZINC001120345256 1131273793 /nfs/dbraw/zinc/27/37/93/1131273793.db2.gz SYKKOWOFPKOQSJ-HNNXBMFYSA-N 0 3 289.350 3.781 20 10 CHCDHN CC[C@@H]([NH2+]CCC(C)(C)COC)c1ccc(C)cc1[O-] ZINC000872104597 1124682330 /nfs/dbraw/zinc/68/23/30/1124682330.db2.gz KEDSIJGQVDJSJE-OAHLLOKOSA-N 0 3 279.424 3.804 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])[C@H](O)c1ccccc1 ZINC000872133306 1124692782 /nfs/dbraw/zinc/69/27/82/1124692782.db2.gz PGJZOZJANRPQFF-UCLAIMLFSA-N 0 3 299.414 3.863 20 10 CHCDHN CC[C@@H](N[C@@H](C)c1nccnc1C)c1ccc(C)cc1O ZINC000872135105 1124693848 /nfs/dbraw/zinc/69/38/48/1124693848.db2.gz VFTHQEHJUVCDNG-DZGCQCFKSA-N 0 3 285.391 3.601 20 10 CHCDHN CCCOc1ccc(CNCc2cccc(CO)c2)cc1C ZINC000873047414 1124734496 /nfs/dbraw/zinc/73/44/96/1124734496.db2.gz ZGIRQEZIKRQBBT-UHFFFAOYSA-N 0 3 299.414 3.566 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)c([O-])c1 ZINC000020087386 1124805695 /nfs/dbraw/zinc/80/56/95/1124805695.db2.gz WJQSXQLTLHAUFC-CYBMUJFWSA-N 0 3 273.351 3.733 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccco2)c([O-])c1 ZINC000020145204 1124809222 /nfs/dbraw/zinc/80/92/22/1124809222.db2.gz FKCDXODLXFUTFN-KGLIPLIRSA-N 0 3 273.376 3.966 20 10 CHCDHN CCN(CC)[C@H](C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000020826561 1124879109 /nfs/dbraw/zinc/87/91/09/1124879109.db2.gz JJWZZUMFIBUMCS-GOSISDBHSA-N 0 3 298.430 3.565 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000876684691 1124971192 /nfs/dbraw/zinc/97/11/92/1124971192.db2.gz RDIODIMEKFUUQT-IBGZPJMESA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000876684691 1124971194 /nfs/dbraw/zinc/97/11/94/1124971194.db2.gz RDIODIMEKFUUQT-IBGZPJMESA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000877038841 1125001664 /nfs/dbraw/zinc/00/16/64/1125001664.db2.gz ZGROBPVXOFXJOQ-RHSMWYFYSA-N 0 3 291.435 3.632 20 10 CHCDHN Cc1ccc(C[NH2+]C2CCC(OC(C)C)CC2)c([O-])c1 ZINC000877114617 1125010678 /nfs/dbraw/zinc/01/06/78/1125010678.db2.gz VWQDGGVYQYDFNH-UHFFFAOYSA-N 0 3 277.408 3.526 20 10 CHCDHN CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])CCO1 ZINC000877167487 1125016463 /nfs/dbraw/zinc/01/64/63/1125016463.db2.gz ZOCXYQPRFNBMOK-YJBOKZPZSA-N 0 3 291.435 3.774 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000877478346 1125033006 /nfs/dbraw/zinc/03/30/06/1125033006.db2.gz NCGADQDUEUPNKC-UHFFFAOYSA-N 0 3 291.435 3.774 20 10 CHCDHN COc1cccc([C@H]2C[C@H]([NH2+]Cc3c(C)cccc3[O-])C2)c1 ZINC000877571891 1125046642 /nfs/dbraw/zinc/04/66/42/1125046642.db2.gz BANWZFYDQDEYSO-WKILWMFISA-N 0 3 297.398 3.745 20 10 CHCDHN CCc1cccc(CNCc2cccc(F)c2F)c1O ZINC000877673091 1125060848 /nfs/dbraw/zinc/06/08/48/1125060848.db2.gz NGBFYHQPLWKKDW-UHFFFAOYSA-N 0 3 277.314 3.523 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1C ZINC000877757045 1125074339 /nfs/dbraw/zinc/07/43/39/1125074339.db2.gz CKQRCNISUMZFLE-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN C[N@H+](CC[C@@H]1CCCC1(F)F)Cc1ccccc1[O-] ZINC000878241046 1125134202 /nfs/dbraw/zinc/13/42/02/1125134202.db2.gz AAEDBQKJNDKFFI-ZDUSSCGKSA-N 0 3 269.335 3.650 20 10 CHCDHN C[N@@H+](CC[C@@H]1CCCC1(F)F)Cc1ccccc1[O-] ZINC000878241046 1125134204 /nfs/dbraw/zinc/13/42/04/1125134204.db2.gz AAEDBQKJNDKFFI-ZDUSSCGKSA-N 0 3 269.335 3.650 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccccc1[O-] ZINC000878354159 1125143740 /nfs/dbraw/zinc/14/37/40/1125143740.db2.gz DAGZETWPKPKODT-NEPJUHHUSA-N 0 3 269.335 3.868 20 10 CHCDHN Cc1cc(C)c(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000878455355 1125155223 /nfs/dbraw/zinc/15/52/23/1125155223.db2.gz XAKHQKIHDCFVGT-OAHLLOKOSA-N 0 3 297.446 3.924 20 10 CHCDHN CC(C)Oc1ccccc1CN1CCc2cccc(O)c2C1 ZINC001137139597 1125190259 /nfs/dbraw/zinc/19/02/59/1125190259.db2.gz KGYQVFVPBULVGA-UHFFFAOYSA-N 0 3 297.398 3.738 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc2cccnc21)c1cc(F)ccc1[O-] ZINC000127655344 1125207826 /nfs/dbraw/zinc/20/78/26/1125207826.db2.gz ZPWIZBWHDQRWIK-LBPRGKRZSA-N 0 3 296.345 3.930 20 10 CHCDHN COc1ccc(Cl)c(CN[C@@H](C)c2ccccc2O)c1 ZINC000879650326 1125223649 /nfs/dbraw/zinc/22/36/49/1125223649.db2.gz UWFFZJOFDBLRJN-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(Cl)c(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879650326 1125223652 /nfs/dbraw/zinc/22/36/52/1125223652.db2.gz UWFFZJOFDBLRJN-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN CCC[C@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1[O-] ZINC000213582932 1125363659 /nfs/dbraw/zinc/36/36/59/1125363659.db2.gz BQLZWGSWSCWTML-HNNXBMFYSA-N 0 3 277.408 3.946 20 10 CHCDHN CCC[C@H]1CCCC[N@H+]1Cc1cccc(OCC)c1[O-] ZINC000213582932 1125363660 /nfs/dbraw/zinc/36/36/60/1125363660.db2.gz BQLZWGSWSCWTML-HNNXBMFYSA-N 0 3 277.408 3.946 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(C)nc2Cl)c(O)c1 ZINC000883302516 1125393123 /nfs/dbraw/zinc/39/31/23/1125393123.db2.gz ZYKTTZQDOHFOBM-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN COC[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000883316811 1125395025 /nfs/dbraw/zinc/39/50/25/1125395025.db2.gz KVYABTUIGNLHEB-UJKQEGAGSA-N 0 3 297.398 3.574 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccccc1[O-] ZINC000897445110 1125417758 /nfs/dbraw/zinc/41/77/58/1125417758.db2.gz BEHSQIBGYLZPBJ-MRXNPFEDSA-N 0 3 291.435 3.886 20 10 CHCDHN Cc1cc(CN(C)Cc2cccc(F)c2)ccc1N(C)C ZINC001139669947 1131357247 /nfs/dbraw/zinc/35/72/47/1131357247.db2.gz QYRFLKAETWTYAV-UHFFFAOYSA-N 0 3 286.394 3.832 20 10 CHCDHN COc1cccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295771525 1129219256 /nfs/dbraw/zinc/21/92/56/1129219256.db2.gz AJPRBUWNQQFBIZ-LRDDRELGSA-N 0 3 283.371 3.739 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)c([O-])c1 ZINC000184910148 1129261452 /nfs/dbraw/zinc/26/14/52/1129261452.db2.gz KDGWKPXRPNOHAQ-CYBMUJFWSA-N 0 3 273.351 3.999 20 10 CHCDHN c1oc2ccccc2c1CNCc1ccc2c(c1)CCO2 ZINC000734004014 1129291334 /nfs/dbraw/zinc/29/13/34/1129291334.db2.gz HKGSQGFGIOENBB-UHFFFAOYSA-N 0 3 279.339 3.658 20 10 CHCDHN CN(Cc1ccccc1O)Cc1ccccc1OCC1CC1 ZINC000091974542 1129376162 /nfs/dbraw/zinc/37/61/62/1129376162.db2.gz RHHYURQFVRKYMK-UHFFFAOYSA-N 0 3 297.398 3.813 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cccnc1C ZINC000092705055 1129405045 /nfs/dbraw/zinc/40/50/45/1129405045.db2.gz JEIJFMLGKNLYPX-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cccnc1C ZINC000092705055 1129405047 /nfs/dbraw/zinc/40/50/47/1129405047.db2.gz JEIJFMLGKNLYPX-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN Cn1cccc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000093319360 1129421330 /nfs/dbraw/zinc/42/13/30/1129421330.db2.gz ALXLBNHOSORZRJ-UHFFFAOYSA-N 0 3 284.403 3.676 20 10 CHCDHN Cn1cccc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000093319360 1129421332 /nfs/dbraw/zinc/42/13/32/1129421332.db2.gz ALXLBNHOSORZRJ-UHFFFAOYSA-N 0 3 284.403 3.676 20 10 CHCDHN CC[C@@H]1CCCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000093530208 1129425632 /nfs/dbraw/zinc/42/56/32/1129425632.db2.gz FLAVMZWKMGAGKA-CQSZACIVSA-N 0 3 263.381 3.555 20 10 CHCDHN CC[C@@H]1CCCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000093530208 1129425634 /nfs/dbraw/zinc/42/56/34/1129425634.db2.gz FLAVMZWKMGAGKA-CQSZACIVSA-N 0 3 263.381 3.555 20 10 CHCDHN CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000094617000 1129448199 /nfs/dbraw/zinc/44/81/99/1129448199.db2.gz IITVNAXMBQVUSZ-LRDDRELGSA-N 0 3 296.430 3.548 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000094617929 1129448206 /nfs/dbraw/zinc/44/82/06/1129448206.db2.gz NZVUKHZXBQCKSK-VIFPVBQESA-N 0 3 281.277 3.660 20 10 CHCDHN Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618499 1129448249 /nfs/dbraw/zinc/44/82/49/1129448249.db2.gz MXLRLZDTOUCPPL-BDAKNGLRSA-N 0 3 278.327 3.548 20 10 CHCDHN C[C@H]([NH2+]CCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000094616827 1129448290 /nfs/dbraw/zinc/44/82/90/1129448290.db2.gz NWIPSKQJXWVMHQ-ZDUSSCGKSA-N 0 3 273.351 3.815 20 10 CHCDHN CCOc1cccc(CNCc2c(C)cccc2F)c1O ZINC000742380618 1129472959 /nfs/dbraw/zinc/47/29/59/1129472959.db2.gz HLLWOIGTXKYWLM-UHFFFAOYSA-N 0 3 289.350 3.528 20 10 CHCDHN CCCN(Cc1cncn1C(C)C)Cc1ccccc1O ZINC000822443511 1131378600 /nfs/dbraw/zinc/37/86/00/1131378600.db2.gz WEGVTFXEKPKMEV-UHFFFAOYSA-N 0 3 287.407 3.582 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)S1 ZINC000743376952 1129522593 /nfs/dbraw/zinc/52/25/93/1129522593.db2.gz WKDGFBZJVFWRFP-BETUJISGSA-N 0 3 287.428 3.871 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)S1 ZINC000743376952 1129522597 /nfs/dbraw/zinc/52/25/97/1129522597.db2.gz WKDGFBZJVFWRFP-BETUJISGSA-N 0 3 287.428 3.871 20 10 CHCDHN CC/C=C\CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000767325817 1129786636 /nfs/dbraw/zinc/78/66/36/1129786636.db2.gz XYCLZMNLCPGVFO-CWIOURORSA-N 0 3 289.419 3.730 20 10 CHCDHN CC/C=C\CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000767325817 1129786639 /nfs/dbraw/zinc/78/66/39/1129786639.db2.gz XYCLZMNLCPGVFO-CWIOURORSA-N 0 3 289.419 3.730 20 10 CHCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000768196497 1129842711 /nfs/dbraw/zinc/84/27/11/1129842711.db2.gz GHOUVOSOQPEZRE-AWEZNQCLSA-N 0 3 285.387 3.984 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000768196497 1129842716 /nfs/dbraw/zinc/84/27/16/1129842716.db2.gz GHOUVOSOQPEZRE-AWEZNQCLSA-N 0 3 285.387 3.984 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)[C@H]2CC3CCC2CC3)c([O-])c1 ZINC000382067719 1129854400 /nfs/dbraw/zinc/85/44/00/1129854400.db2.gz GVUSFELGDQJPSM-QROZZAMVSA-N 0 3 289.419 3.705 20 10 CHCDHN CCN(CC)c1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000768872977 1129878082 /nfs/dbraw/zinc/87/80/82/1129878082.db2.gz NSXGXQDNASKMID-UHFFFAOYSA-N 0 3 298.430 3.870 20 10 CHCDHN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000768872977 1129878085 /nfs/dbraw/zinc/87/80/85/1129878085.db2.gz NSXGXQDNASKMID-UHFFFAOYSA-N 0 3 298.430 3.870 20 10 CHCDHN CCSCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000800492109 1129879890 /nfs/dbraw/zinc/87/98/90/1129879890.db2.gz BXSQCQSGCQTLTB-ZYHUDNBSSA-N 0 3 283.412 3.812 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccsc2)c([O-])c1 ZINC000800889632 1129896753 /nfs/dbraw/zinc/89/67/53/1129896753.db2.gz RTHFNXZMQIVZLX-LLVKDONJSA-N 0 3 277.389 3.703 20 10 CHCDHN C[C@@H]1[C@H](C)OCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000769421997 1129907670 /nfs/dbraw/zinc/90/76/70/1129907670.db2.gz DZBTYNLANJJTIA-CABCVRRESA-N 0 3 297.398 3.668 20 10 CHCDHN CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769466979 1129912078 /nfs/dbraw/zinc/91/20/78/1129912078.db2.gz RRQWXLZEPHOYEJ-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769466979 1129912079 /nfs/dbraw/zinc/91/20/79/1129912079.db2.gz RRQWXLZEPHOYEJ-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769507491 1129914764 /nfs/dbraw/zinc/91/47/64/1129914764.db2.gz LXUUFHQTFWOPBG-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769507491 1129914766 /nfs/dbraw/zinc/91/47/66/1129914766.db2.gz LXUUFHQTFWOPBG-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN CCCC[N@H+](Cc1cncc(C)c1)Cc1ccccc1[O-] ZINC000801596847 1129932064 /nfs/dbraw/zinc/93/20/64/1129932064.db2.gz QWLOERIPWOABRN-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@@H+](Cc1cncc(C)c1)Cc1ccccc1[O-] ZINC000801596847 1129932066 /nfs/dbraw/zinc/93/20/66/1129932066.db2.gz QWLOERIPWOABRN-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC000770510092 1129948175 /nfs/dbraw/zinc/94/81/75/1129948175.db2.gz XHJMBYSYLJYJDF-VNQPRFMTSA-N 0 3 259.393 3.793 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC000770510092 1129948178 /nfs/dbraw/zinc/94/81/78/1129948178.db2.gz XHJMBYSYLJYJDF-VNQPRFMTSA-N 0 3 259.393 3.793 20 10 CHCDHN Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000770511070 1129949116 /nfs/dbraw/zinc/94/91/16/1129949116.db2.gz YMPADPNIKMPOTQ-OAHLLOKOSA-N 0 3 269.388 3.764 20 10 CHCDHN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000770511070 1129949119 /nfs/dbraw/zinc/94/91/19/1129949119.db2.gz YMPADPNIKMPOTQ-OAHLLOKOSA-N 0 3 269.388 3.764 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000770510628 1129949245 /nfs/dbraw/zinc/94/92/45/1129949245.db2.gz OQGUVCSIGIRNOI-CQSZACIVSA-N 0 3 271.335 3.521 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000770510628 1129949248 /nfs/dbraw/zinc/94/92/48/1129949248.db2.gz OQGUVCSIGIRNOI-CQSZACIVSA-N 0 3 271.335 3.521 20 10 CHCDHN COc1ccc(CN[C@@H](C)c2cnccc2C)cc1C ZINC000770750308 1129958492 /nfs/dbraw/zinc/95/84/92/1129958492.db2.gz MQYJTLLHKWNDHI-AWEZNQCLSA-N 0 3 270.376 3.558 20 10 CHCDHN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000771388969 1129979172 /nfs/dbraw/zinc/97/91/72/1129979172.db2.gz QDRVGEMFXCQVRI-HUUCEWRRSA-N 0 3 283.419 3.868 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000903260813 1130138789 /nfs/dbraw/zinc/13/87/89/1130138789.db2.gz RMQCHYLBBFCJRG-JJMVLAAESA-N 0 3 295.810 3.572 20 10 CHCDHN C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cc(F)ccc1[O-] ZINC000903428981 1130175772 /nfs/dbraw/zinc/17/57/72/1130175772.db2.gz RIUFIUOFIMFPSP-DIFFPNOSSA-N 0 3 286.350 3.728 20 10 CHCDHN C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccccc1[O-] ZINC000903430049 1130176910 /nfs/dbraw/zinc/17/69/10/1130176910.db2.gz XGVUJECQWKQHGR-SJCJKPOMSA-N 0 3 268.360 3.589 20 10 CHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@H]1CCC=CO1 ZINC000788442208 1130186047 /nfs/dbraw/zinc/18/60/47/1130186047.db2.gz BSLFXJUKEQPUCY-MRXNPFEDSA-N 0 3 299.370 3.680 20 10 CHCDHN CCOc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)c([O-])c1 ZINC000790994607 1130343168 /nfs/dbraw/zinc/34/31/68/1130343168.db2.gz FEBZRCKZNXXDRW-UHFFFAOYSA-N 0 3 297.398 3.958 20 10 CHCDHN CC(C)=CCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000792184227 1130437111 /nfs/dbraw/zinc/43/71/11/1130437111.db2.gz TXLWNGDSYMDCSK-UHFFFAOYSA-N 0 3 298.224 3.909 20 10 CHCDHN C[C@H]1COC(C)(C)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000792726236 1130494119 /nfs/dbraw/zinc/49/41/19/1130494119.db2.gz BJGVANVMSSWZPA-ZDUSSCGKSA-N 0 3 285.387 3.545 20 10 CHCDHN C[C@H]1COC(C)(C)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000792726236 1130494122 /nfs/dbraw/zinc/49/41/22/1130494122.db2.gz BJGVANVMSSWZPA-ZDUSSCGKSA-N 0 3 285.387 3.545 20 10 CHCDHN CN(Cc1ccc(N2CCCCC2)cc1)CC1(F)CC1 ZINC000792763270 1130495955 /nfs/dbraw/zinc/49/59/55/1130495955.db2.gz ROJBXKVWCRYSGW-UHFFFAOYSA-N 0 3 276.399 3.611 20 10 CHCDHN Cc1cc(Br)cc(CN2CC(C(C)C)C2)c1O ZINC000793191543 1130529553 /nfs/dbraw/zinc/52/95/53/1130529553.db2.gz YWIZXBLZIYXBSJ-UHFFFAOYSA-N 0 3 298.224 3.551 20 10 CHCDHN Cc1cc(Br)cc(C[NH+]2CC(C(C)C)C2)c1[O-] ZINC000793191543 1130529556 /nfs/dbraw/zinc/52/95/56/1130529556.db2.gz YWIZXBLZIYXBSJ-UHFFFAOYSA-N 0 3 298.224 3.551 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1[O-] ZINC000793353337 1130543737 /nfs/dbraw/zinc/54/37/37/1130543737.db2.gz RZQBYZPAKSTWME-AWEZNQCLSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1[O-] ZINC000793353337 1130543741 /nfs/dbraw/zinc/54/37/41/1130543741.db2.gz RZQBYZPAKSTWME-AWEZNQCLSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)CCC=C(C)C)c([O-])c1 ZINC000793387287 1130552345 /nfs/dbraw/zinc/55/23/45/1130552345.db2.gz BUVUPWKYYBFLAI-ZDUSSCGKSA-N 0 3 263.381 3.625 20 10 CHCDHN CC1=C[C@@H](C)C[C@@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000811458072 1130611071 /nfs/dbraw/zinc/61/10/71/1130611071.db2.gz TXCROBIXTJNZCR-UKRRQHHQSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000811458072 1130611075 /nfs/dbraw/zinc/61/10/75/1130611075.db2.gz TXCROBIXTJNZCR-UKRRQHHQSA-N 0 3 259.393 3.816 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC3(C)C)c2c1 ZINC001234525109 1130654577 /nfs/dbraw/zinc/65/45/77/1130654577.db2.gz AVWZMUHDCQKDAJ-UHFFFAOYSA-N 0 3 285.387 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC3(C)C)c2c1 ZINC001234525109 1130654579 /nfs/dbraw/zinc/65/45/79/1130654579.db2.gz AVWZMUHDCQKDAJ-UHFFFAOYSA-N 0 3 285.387 3.928 20 10 CHCDHN C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccccc1[O-] ZINC000780793296 1130692506 /nfs/dbraw/zinc/69/25/06/1130692506.db2.gz LCBADQPOALYTCU-CMPLNLGQSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccccc1[O-] ZINC000780793296 1130692510 /nfs/dbraw/zinc/69/25/10/1130692510.db2.gz LCBADQPOALYTCU-CMPLNLGQSA-N 0 3 273.298 3.555 20 10 CHCDHN CC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCOC1 ZINC000812780471 1130712717 /nfs/dbraw/zinc/71/27/17/1130712717.db2.gz FTNDXXFVYYIOKD-GOSISDBHSA-N 0 3 297.398 3.670 20 10 CHCDHN CC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCOC1 ZINC000812780471 1130712722 /nfs/dbraw/zinc/71/27/22/1130712722.db2.gz FTNDXXFVYYIOKD-GOSISDBHSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@H]1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000781927304 1130748978 /nfs/dbraw/zinc/74/89/78/1130748978.db2.gz DJJVUXIMGUEQBO-BLLLJJGKSA-N 0 3 263.356 3.543 20 10 CHCDHN C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000781927304 1130748982 /nfs/dbraw/zinc/74/89/82/1130748982.db2.gz DJJVUXIMGUEQBO-BLLLJJGKSA-N 0 3 263.356 3.543 20 10 CHCDHN COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676963 1130765373 /nfs/dbraw/zinc/76/53/73/1130765373.db2.gz YTLGWJHJWRUFCD-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN COC[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676963 1130765375 /nfs/dbraw/zinc/76/53/75/1130765375.db2.gz YTLGWJHJWRUFCD-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN CC[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681930 1130768372 /nfs/dbraw/zinc/76/83/72/1130768372.db2.gz SFKBPRBYBAVAAB-CYBMUJFWSA-N 0 3 261.409 3.922 20 10 CHCDHN CC[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681930 1130768375 /nfs/dbraw/zinc/76/83/75/1130768375.db2.gz SFKBPRBYBAVAAB-CYBMUJFWSA-N 0 3 261.409 3.922 20 10 CHCDHN C[N@H+](CCC1CC1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235681026 1130768604 /nfs/dbraw/zinc/76/86/04/1130768604.db2.gz WTIODZNRUGGXRR-UHFFFAOYSA-N 0 3 261.409 3.922 20 10 CHCDHN C[N@@H+](CCC1CC1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235681026 1130768611 /nfs/dbraw/zinc/76/86/11/1130768611.db2.gz WTIODZNRUGGXRR-UHFFFAOYSA-N 0 3 261.409 3.922 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001235679330 1130768714 /nfs/dbraw/zinc/76/87/14/1130768714.db2.gz DYZWVLDTQMMMOE-SWLSCSKDSA-N 0 3 259.393 3.674 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001235679330 1130768720 /nfs/dbraw/zinc/76/87/20/1130768720.db2.gz DYZWVLDTQMMMOE-SWLSCSKDSA-N 0 3 259.393 3.674 20 10 CHCDHN CCOc1ccc(C[NH2+]CC(C)(C)C(C)C)c([O-])c1 ZINC000782536418 1130782781 /nfs/dbraw/zinc/78/27/81/1130782781.db2.gz ZGISULZGNSCDFJ-UHFFFAOYSA-N 0 3 265.397 3.563 20 10 CHCDHN Oc1ccccc1CNCc1ccc(C2CC2)cc1F ZINC000813781903 1130783641 /nfs/dbraw/zinc/78/36/41/1130783641.db2.gz UTPFHTXLANTAFR-UHFFFAOYSA-N 0 3 271.335 3.699 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000813781903 1130783648 /nfs/dbraw/zinc/78/36/48/1130783648.db2.gz UTPFHTXLANTAFR-UHFFFAOYSA-N 0 3 271.335 3.699 20 10 CHCDHN C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000783236281 1130805664 /nfs/dbraw/zinc/80/56/64/1130805664.db2.gz FYLKHCFIFNGZFE-MJGOQNOKSA-N 0 3 281.399 3.992 20 10 CHCDHN C[C@H]([NH2+]CCCOc1ccccc1F)c1ccccc1[O-] ZINC000783504005 1130830736 /nfs/dbraw/zinc/83/07/36/1130830736.db2.gz WPGYINQZTMNWOU-ZDUSSCGKSA-N 0 3 289.350 3.651 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1c(C)nn(C)c1C ZINC000783517997 1130832234 /nfs/dbraw/zinc/83/22/34/1130832234.db2.gz MJIKVBFCSKOSAX-XHDPSFHLSA-N 0 3 287.407 3.544 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000783515991 1130832671 /nfs/dbraw/zinc/83/26/71/1130832671.db2.gz AHIPACQAKYBJRD-WZFJYNIESA-N 0 3 297.398 3.996 20 10 CHCDHN C[C@H]([NH2+]Cc1coc2ccccc12)c1ccccc1[O-] ZINC000783524187 1130834151 /nfs/dbraw/zinc/83/41/51/1130834151.db2.gz YEFQBHGKMNKXBI-LBPRGKRZSA-N 0 3 267.328 3.989 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1[O-] ZINC000797603831 1130997984 /nfs/dbraw/zinc/99/79/84/1130997984.db2.gz BJRLDRAOGUAOKF-SNVBAGLBSA-N 0 3 289.753 3.879 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCCC[C@H]2O)c([O-])c1 ZINC000815585901 1131003359 /nfs/dbraw/zinc/00/33/59/1131003359.db2.gz VEWCKJQDXQSDRF-LESCRADOSA-N 0 3 291.435 3.601 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC001236791783 1131009037 /nfs/dbraw/zinc/00/90/37/1131009037.db2.gz KUOUTMFFNZLQNX-QGZVFWFLSA-N 0 3 267.372 3.902 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC001236791783 1131009042 /nfs/dbraw/zinc/00/90/42/1131009042.db2.gz KUOUTMFFNZLQNX-QGZVFWFLSA-N 0 3 267.372 3.902 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001236806931 1131011283 /nfs/dbraw/zinc/01/12/83/1131011283.db2.gz CUGUUVJLWDEHCK-UHFFFAOYSA-N 0 3 299.361 3.576 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001236806931 1131011290 /nfs/dbraw/zinc/01/12/90/1131011290.db2.gz CUGUUVJLWDEHCK-UHFFFAOYSA-N 0 3 299.361 3.576 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H](C)F)c1[O-] ZINC000815645450 1131014858 /nfs/dbraw/zinc/01/48/58/1131014858.db2.gz FYWUYUWNKMITBP-NXEZZACHSA-N 0 3 259.752 3.753 20 10 CHCDHN CC[C@H]([NH2+]CCC1(OC)CCC1)c1ccc(C)cc1[O-] ZINC000815641902 1131014796 /nfs/dbraw/zinc/01/47/96/1131014796.db2.gz LLVUVAABNRDZGL-HNNXBMFYSA-N 0 3 277.408 3.701 20 10 CHCDHN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236831034 1131016221 /nfs/dbraw/zinc/01/62/21/1131016221.db2.gz DLGKYEWAUUXMRU-SFHVURJKSA-N 0 3 299.414 3.935 20 10 CHCDHN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236831034 1131016228 /nfs/dbraw/zinc/01/62/28/1131016228.db2.gz DLGKYEWAUUXMRU-SFHVURJKSA-N 0 3 299.414 3.935 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001236826818 1131016382 /nfs/dbraw/zinc/01/63/82/1131016382.db2.gz NFFFZHZEKATMOP-INIZCTEOSA-N 0 3 273.351 3.869 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001236826818 1131016388 /nfs/dbraw/zinc/01/63/88/1131016388.db2.gz NFFFZHZEKATMOP-INIZCTEOSA-N 0 3 273.351 3.869 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c([O-])c1 ZINC000815648133 1131016519 /nfs/dbraw/zinc/01/65/19/1131016519.db2.gz FKTGCNKSYMXWRN-GOEBONIOSA-N 0 3 291.435 3.540 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001236826034 1131017355 /nfs/dbraw/zinc/01/73/55/1131017355.db2.gz FJZINTRVFOMQLP-LJQANCHMSA-N 0 3 297.398 3.690 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001236826034 1131017358 /nfs/dbraw/zinc/01/73/58/1131017358.db2.gz FJZINTRVFOMQLP-LJQANCHMSA-N 0 3 297.398 3.690 20 10 CHCDHN CC[N@H+](Cc1cccnc1)Cc1cc2ccccc2cc1[O-] ZINC001236839250 1131018853 /nfs/dbraw/zinc/01/88/53/1131018853.db2.gz FJOMQZQFDTUYEE-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1cccnc1)Cc1cc2ccccc2cc1[O-] ZINC001236839250 1131018857 /nfs/dbraw/zinc/01/88/57/1131018857.db2.gz FJOMQZQFDTUYEE-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[C@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236842514 1131020862 /nfs/dbraw/zinc/02/08/62/1131020862.db2.gz WPXLEQCWXJZMNU-INIZCTEOSA-N 0 3 255.361 3.920 20 10 CHCDHN CC[C@H]1CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236842514 1131020865 /nfs/dbraw/zinc/02/08/65/1131020865.db2.gz WPXLEQCWXJZMNU-INIZCTEOSA-N 0 3 255.361 3.920 20 10 CHCDHN CN(Cc1ccccn1)Cc1cc2ccccc2cc1O ZINC001236840424 1131020905 /nfs/dbraw/zinc/02/09/05/1131020905.db2.gz OQBHMOQAZHEHQF-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN CC(C)OC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236842861 1131021049 /nfs/dbraw/zinc/02/10/49/1131021049.db2.gz ZJRINLCBDDPQHZ-UHFFFAOYSA-N 0 3 299.414 3.935 20 10 CHCDHN CCO[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236842070 1131021480 /nfs/dbraw/zinc/02/14/80/1131021480.db2.gz SYBMYPKVKKVRRL-QGZVFWFLSA-N 0 3 285.387 3.546 20 10 CHCDHN CCO[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236842070 1131021487 /nfs/dbraw/zinc/02/14/87/1131021487.db2.gz SYBMYPKVKKVRRL-QGZVFWFLSA-N 0 3 285.387 3.546 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(F)c3ccoc31)CC2 ZINC001236900490 1131029027 /nfs/dbraw/zinc/02/90/27/1131029027.db2.gz AMICBUQOHRSFSH-UHFFFAOYSA-N 0 3 297.329 3.836 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(F)c3ccoc31)CC2 ZINC001236900490 1131029032 /nfs/dbraw/zinc/02/90/32/1131029032.db2.gz AMICBUQOHRSFSH-UHFFFAOYSA-N 0 3 297.329 3.836 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC001237050225 1131041931 /nfs/dbraw/zinc/04/19/31/1131041931.db2.gz ZMTKYIVFCUBAQJ-OAHLLOKOSA-N 0 3 281.346 3.747 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC001237050225 1131041934 /nfs/dbraw/zinc/04/19/34/1131041934.db2.gz ZMTKYIVFCUBAQJ-OAHLLOKOSA-N 0 3 281.346 3.747 20 10 CHCDHN Cc1cccc(O)c1CN1CCc2ccc(Cl)cc2C1 ZINC001237483979 1131104533 /nfs/dbraw/zinc/10/45/33/1131104533.db2.gz XEBHMHQYUFBFTO-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN Cc1ccc2c(c1)C[N@@H+](Cc1c(C)cccc1[O-])CC2 ZINC001237483743 1131104655 /nfs/dbraw/zinc/10/46/55/1131104655.db2.gz SFLJKIKQVWVTMT-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1ccc2c(c1)C[N@H+](Cc1c(C)cccc1[O-])CC2 ZINC001237483743 1131104659 /nfs/dbraw/zinc/10/46/59/1131104659.db2.gz SFLJKIKQVWVTMT-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cccc(C)c1OC ZINC001237503728 1131105283 /nfs/dbraw/zinc/10/52/83/1131105283.db2.gz HDJVJQVAMXCLFM-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cccc(C)c1OC ZINC001237503728 1131105285 /nfs/dbraw/zinc/10/52/85/1131105285.db2.gz HDJVJQVAMXCLFM-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccccc1[O-] ZINC000799728016 1131105758 /nfs/dbraw/zinc/10/57/58/1131105758.db2.gz DORJZTUYJLJSIA-CYBMUJFWSA-N 0 3 280.371 3.767 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001237493341 1131106240 /nfs/dbraw/zinc/10/62/40/1131106240.db2.gz XLFRCAQNIIKPRI-AWEZNQCLSA-N 0 3 267.372 3.647 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001237493341 1131106242 /nfs/dbraw/zinc/10/62/42/1131106242.db2.gz XLFRCAQNIIKPRI-AWEZNQCLSA-N 0 3 267.372 3.647 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000816619816 1131117787 /nfs/dbraw/zinc/11/77/87/1131117787.db2.gz WNUVCXJOSVGQTG-HNNXBMFYSA-N 0 3 285.362 3.911 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000816619816 1131117791 /nfs/dbraw/zinc/11/77/91/1131117791.db2.gz WNUVCXJOSVGQTG-HNNXBMFYSA-N 0 3 285.362 3.911 20 10 CHCDHN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816648272 1131119037 /nfs/dbraw/zinc/11/90/37/1131119037.db2.gz HZDLMLRHTGBFIL-LSDHHAIUSA-N 0 3 297.398 3.811 20 10 CHCDHN C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000816648272 1131119038 /nfs/dbraw/zinc/11/90/38/1131119038.db2.gz HZDLMLRHTGBFIL-LSDHHAIUSA-N 0 3 297.398 3.811 20 10 CHCDHN CCC[NH+](CCC)Cc1cc(Cl)cc(C)c1[O-] ZINC001237681409 1131126855 /nfs/dbraw/zinc/12/68/55/1131126855.db2.gz PGJZJNWOGQMAQB-UHFFFAOYSA-N 0 3 255.789 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC001237689882 1131128347 /nfs/dbraw/zinc/12/83/47/1131128347.db2.gz RIOREIJSKPZVIS-AWEZNQCLSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(C)C)c1[O-] ZINC001237689882 1131128349 /nfs/dbraw/zinc/12/83/49/1131128349.db2.gz RIOREIJSKPZVIS-AWEZNQCLSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(CN(C)Cc2cccnc2C)c1O ZINC001237687460 1131128453 /nfs/dbraw/zinc/12/84/53/1131128453.db2.gz CGDKYTHIUBQTDP-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN COc1ccc(C[NH2+]Cc2cccc(C3CC3)c2)c([O-])c1 ZINC000817410575 1131160788 /nfs/dbraw/zinc/16/07/88/1131160788.db2.gz ZKYJNVOYXDMEPM-UHFFFAOYSA-N 0 3 283.371 3.568 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c1[O-] ZINC001238058764 1131165811 /nfs/dbraw/zinc/16/58/11/1131165811.db2.gz VKNHJNAQXLEKER-WCQYABFASA-N 0 3 265.372 3.708 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c1[O-] ZINC001238058764 1131165815 /nfs/dbraw/zinc/16/58/15/1131165815.db2.gz VKNHJNAQXLEKER-WCQYABFASA-N 0 3 265.372 3.708 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CCCN3)c([O-])c1 ZINC000817975037 1131194193 /nfs/dbraw/zinc/19/41/93/1131194193.db2.gz HYVZZBRGCPQAMV-CQSZACIVSA-N 0 3 296.414 3.910 20 10 CHCDHN Cc1cc(CNCc2ccc(N3CCCC3)cc2)cc(C)n1 ZINC001118055579 1131208410 /nfs/dbraw/zinc/20/84/10/1131208410.db2.gz UTIGAOKOWHOFIF-UHFFFAOYSA-N 0 3 295.430 3.588 20 10 CHCDHN Oc1ccccc1CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823753583 1131441019 /nfs/dbraw/zinc/44/10/19/1131441019.db2.gz WVOBBCFZJGDAFM-GFCCVEGCSA-N 0 3 293.288 3.587 20 10 CHCDHN Cc1c(CN2CCCC[C@H](F)C2)c2ccccc2n1C ZINC001138252811 1131482623 /nfs/dbraw/zinc/48/26/23/1131482623.db2.gz VOWOEZLIPWAZDS-AWEZNQCLSA-N 0 3 274.383 3.811 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000824750797 1131484134 /nfs/dbraw/zinc/48/41/34/1131484134.db2.gz PEXHFHLEFQIDMR-HOCLYGCPSA-N 0 3 289.419 3.782 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC2(F)F)c1[O-] ZINC000824800281 1131484925 /nfs/dbraw/zinc/48/49/25/1131484925.db2.gz VTMYWKVGGVZIQQ-LLVKDONJSA-N 0 3 289.753 3.879 20 10 CHCDHN CN(Cc1cccc(F)c1)Cc1ccc2c(c1)CCCN2C ZINC001138354798 1131494143 /nfs/dbraw/zinc/49/41/43/1131494143.db2.gz VJVZVGDVTXJNAV-UHFFFAOYSA-N 0 3 298.405 3.840 20 10 CHCDHN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC001140058570 1131659784 /nfs/dbraw/zinc/65/97/84/1131659784.db2.gz HISSIRULGLYZGB-MRXNPFEDSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC001140058570 1131659788 /nfs/dbraw/zinc/65/97/88/1131659788.db2.gz HISSIRULGLYZGB-MRXNPFEDSA-N 0 3 286.350 3.572 20 10 CHCDHN C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC001140055164 1131660101 /nfs/dbraw/zinc/66/01/01/1131660101.db2.gz MSIXEPXFHAEHIQ-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC001140055164 1131660102 /nfs/dbraw/zinc/66/01/02/1131660102.db2.gz MSIXEPXFHAEHIQ-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001140055600 1131660283 /nfs/dbraw/zinc/66/02/83/1131660283.db2.gz MISZKXIVVILGOB-INIZCTEOSA-N 0 3 299.389 3.986 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001140055600 1131660284 /nfs/dbraw/zinc/66/02/84/1131660284.db2.gz MISZKXIVVILGOB-INIZCTEOSA-N 0 3 299.389 3.986 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001140058466 1131660370 /nfs/dbraw/zinc/66/03/70/1131660370.db2.gz BEWINPBKQOEBSZ-BETUJISGSA-N 0 3 283.346 3.618 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001140058466 1131660372 /nfs/dbraw/zinc/66/03/72/1131660372.db2.gz BEWINPBKQOEBSZ-BETUJISGSA-N 0 3 283.346 3.618 20 10 CHCDHN Cc1ccc(C)c(CN2Cc3ccccc3C2)c1O ZINC001140180641 1131672958 /nfs/dbraw/zinc/67/29/58/1131672958.db2.gz NEEYMCDRBXNXGU-UHFFFAOYSA-N 0 3 253.345 3.525 20 10 CHCDHN Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834552189 1131682533 /nfs/dbraw/zinc/68/25/33/1131682533.db2.gz XIFVTQRTDMLPFL-CVEARBPZSA-N 0 3 295.382 3.801 20 10 CHCDHN CC[N@H+](Cc1cccc2cc[nH]c21)Cc1ccccc1[O-] ZINC001144718331 1131689216 /nfs/dbraw/zinc/68/92/16/1131689216.db2.gz HRZAWFJIAUPYDA-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN CC[N@@H+](Cc1cccc2cc[nH]c21)Cc1ccccc1[O-] ZINC001144718331 1131689220 /nfs/dbraw/zinc/68/92/20/1131689220.db2.gz HRZAWFJIAUPYDA-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834641052 1131689830 /nfs/dbraw/zinc/68/98/30/1131689830.db2.gz VSUJHMFLYRQOIP-IAGOWNOFSA-N 0 3 279.383 3.965 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCc1cccs1)CC2 ZINC000834698447 1131694477 /nfs/dbraw/zinc/69/44/77/1131694477.db2.gz ZPSZCBOZHXXOAU-AWEZNQCLSA-N 0 3 273.401 3.663 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(C)cc1[O-] ZINC000846206215 1131695925 /nfs/dbraw/zinc/69/59/25/1131695925.db2.gz XPYFCHSLIYCXFD-XJKSGUPXSA-N 0 3 277.408 3.556 20 10 CHCDHN CS[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C(C)(C)C ZINC000834759898 1131703509 /nfs/dbraw/zinc/70/35/09/1131703509.db2.gz GPQOGVZQIJIAGS-TZMCWYRMSA-N 0 3 279.449 3.747 20 10 CHCDHN CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834779697 1131704659 /nfs/dbraw/zinc/70/46/59/1131704659.db2.gz RFUVOAOLYRZCBS-RYUDHWBXSA-N 0 3 287.325 3.946 20 10 CHCDHN Cc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)ccn1 ZINC000834859568 1131712718 /nfs/dbraw/zinc/71/27/18/1131712718.db2.gz DJLUSZGUABJCJP-QMTHXVAHSA-N 0 3 286.350 3.573 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CCCCO)c1[O-] ZINC000834876324 1131716070 /nfs/dbraw/zinc/71/60/70/1131716070.db2.gz AKZPWWOTSYAQKN-VXGBXAGGSA-N 0 3 285.815 3.556 20 10 CHCDHN Cc1ccncc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834886484 1131718502 /nfs/dbraw/zinc/71/85/02/1131718502.db2.gz MODXOJHRXLXEPZ-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC000834885907 1131718635 /nfs/dbraw/zinc/71/86/35/1131718635.db2.gz YVAFSMJPRGAAEB-ZWNOBZJWSA-N 0 3 288.218 3.935 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000834897123 1131721751 /nfs/dbraw/zinc/72/17/51/1131721751.db2.gz PTGJSJUWLPBKHP-JMSVASOKSA-N 0 3 297.826 3.556 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)c1ccc(C)cc1[O-] ZINC000834901922 1131727299 /nfs/dbraw/zinc/72/72/99/1131727299.db2.gz BSFOUGOWXTXEIJ-NUTKFTJISA-N 0 3 277.408 3.555 20 10 CHCDHN CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000834904973 1131728352 /nfs/dbraw/zinc/72/83/52/1131728352.db2.gz RKBAECRNCFAORY-USBNGQNGSA-N 0 3 297.826 3.818 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)c1[O-] ZINC000834906619 1131729331 /nfs/dbraw/zinc/72/93/31/1131729331.db2.gz YOVRQTABWLWIMD-OLZOCXBDSA-N 0 3 297.826 3.821 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(C)cc1[O-] ZINC000834905481 1131729364 /nfs/dbraw/zinc/72/93/64/1131729364.db2.gz WRZWKVYYXIEREG-CQSZACIVSA-N 0 3 279.424 3.538 20 10 CHCDHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccn1 ZINC000835033100 1131761086 /nfs/dbraw/zinc/76/10/86/1131761086.db2.gz CKCMZHQIOZXXDL-IDTUSYRASA-N 0 3 281.403 3.512 20 10 CHCDHN CN(C)c1ccc(CN2CCCC23CC3)c(Cl)c1 ZINC001140921486 1131962819 /nfs/dbraw/zinc/96/28/19/1131962819.db2.gz FJTSRDXSGQGOTJ-UHFFFAOYSA-N 0 3 264.800 3.534 20 10 CHCDHN CN(C)c1ccc(CN(C)CC(C)(C)C)c(Cl)c1 ZINC001140923433 1131965509 /nfs/dbraw/zinc/96/55/09/1131965509.db2.gz AFYJOMBWFHIAIS-UHFFFAOYSA-N 0 3 268.832 3.884 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001140951102 1131972332 /nfs/dbraw/zinc/97/23/32/1131972332.db2.gz ZAJLVZKIPJVTBU-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001140951102 1131972335 /nfs/dbraw/zinc/97/23/35/1131972335.db2.gz ZAJLVZKIPJVTBU-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001140958062 1131973993 /nfs/dbraw/zinc/97/39/93/1131973993.db2.gz QMEBUFJDNQTOGM-UHFFFAOYSA-N 0 3 277.383 3.805 20 10 CHCDHN Cc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001140958062 1131973997 /nfs/dbraw/zinc/97/39/97/1131973997.db2.gz QMEBUFJDNQTOGM-UHFFFAOYSA-N 0 3 277.383 3.805 20 10 CHCDHN Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC001140958257 1131974205 /nfs/dbraw/zinc/97/42/05/1131974205.db2.gz WGKSSFQOVIAJKM-CQSZACIVSA-N 0 3 267.372 3.647 20 10 CHCDHN Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC001140958257 1131974209 /nfs/dbraw/zinc/97/42/09/1131974209.db2.gz WGKSSFQOVIAJKM-CQSZACIVSA-N 0 3 267.372 3.647 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccns2)c1 ZINC000715964026 1131999515 /nfs/dbraw/zinc/99/95/15/1131999515.db2.gz CLEYIIDOCHDEFG-MNOVXSKESA-N 0 3 262.378 3.569 20 10 CHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000037217757 1132024123 /nfs/dbraw/zinc/02/41/23/1132024123.db2.gz KNWMIJWVRKVFFE-UONOGXRCSA-N 0 3 269.392 3.559 20 10 CHCDHN Cc1ccc(CNC/C=C/c2ccc(N(C)C)cc2)nc1C ZINC000839164966 1132187220 /nfs/dbraw/zinc/18/72/20/1132187220.db2.gz IGZGVDVLBINJSS-AATRIKPKSA-N 0 3 295.430 3.567 20 10 CHCDHN C[C@H](O)CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000839530946 1132220932 /nfs/dbraw/zinc/22/09/32/1132220932.db2.gz GLYYFYOYIHLZKV-HOTGVXAUSA-N 0 3 299.414 3.726 20 10 CHCDHN C[C@H](O)CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000839530946 1132220943 /nfs/dbraw/zinc/22/09/43/1132220943.db2.gz GLYYFYOYIHLZKV-HOTGVXAUSA-N 0 3 299.414 3.726 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840175079 1132249576 /nfs/dbraw/zinc/24/95/76/1132249576.db2.gz GBJJMDQUIRDLBT-LJQANCHMSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840175079 1132249581 /nfs/dbraw/zinc/24/95/81/1132249581.db2.gz GBJJMDQUIRDLBT-LJQANCHMSA-N 0 3 297.398 3.546 20 10 CHCDHN CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000840764139 1132283769 /nfs/dbraw/zinc/28/37/69/1132283769.db2.gz NMIJCNAAHVGEJC-FMSGJZPZSA-N 0 3 293.382 3.625 20 10 CHCDHN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000840764141 1132284139 /nfs/dbraw/zinc/28/41/39/1132284139.db2.gz NMIJCNAAHVGEJC-NRWUCQMLSA-N 0 3 293.382 3.625 20 10 CHCDHN C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840771077 1132284983 /nfs/dbraw/zinc/28/49/83/1132284983.db2.gz AAKCBHWNTVXPJF-RHSMWYFYSA-N 0 3 296.414 3.776 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)CC2 ZINC000840788271 1132287888 /nfs/dbraw/zinc/28/78/88/1132287888.db2.gz XOLYWLRUCWVQNH-NUEKZKHPSA-N 0 3 283.346 3.664 20 10 CHCDHN C[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1[O-] ZINC000840807270 1132289640 /nfs/dbraw/zinc/28/96/40/1132289640.db2.gz RTOYECIKGXLYQI-VOMCLLRMSA-N 0 3 269.335 3.867 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000840858963 1132295591 /nfs/dbraw/zinc/29/55/91/1132295591.db2.gz FGEKWZMMQRBCCZ-DYEKYZERSA-N 0 3 265.422 3.635 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1ccc(C)cc1[O-] ZINC000840872306 1132299019 /nfs/dbraw/zinc/29/90/19/1132299019.db2.gz KHQXXYSVLPZEMF-FQLMCAECSA-N 0 3 277.408 3.555 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)C1(OC)CCC1)c1ccc(C)cc1[O-] ZINC000840883914 1132302063 /nfs/dbraw/zinc/30/20/63/1132302063.db2.gz HDLCQBRRDONMCR-UKRRQHHQSA-N 0 3 277.408 3.699 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)c1ccccn1 ZINC000840936891 1132309416 /nfs/dbraw/zinc/30/94/16/1132309416.db2.gz NNWZHLYSSVZJNS-HNNXBMFYSA-N 0 3 283.419 3.649 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1c2ccccc2O[C@@H]1C ZINC000840947206 1132311341 /nfs/dbraw/zinc/31/13/41/1132311341.db2.gz RCOOFSDQYWFIBR-AUUYWEPGSA-N 0 3 296.414 3.673 20 10 CHCDHN CCOCc1cc(CN[C@@H]2CCCC[C@H]2F)ccc1OC ZINC000840961930 1132313598 /nfs/dbraw/zinc/31/35/98/1132313598.db2.gz GOBJOTYOSGGWFN-HZPDHXFCSA-N 0 3 295.398 3.602 20 10 CHCDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000840962145 1132313918 /nfs/dbraw/zinc/31/39/18/1132313918.db2.gz IOVSLJJTVQDPMG-MBZYTVFJSA-N 0 3 276.399 3.636 20 10 CHCDHN CN(C)c1ccc(CNCc2cnccc2C(C)(C)C)cc1 ZINC000840959675 1132314422 /nfs/dbraw/zinc/31/44/22/1132314422.db2.gz STNSBZZZZYSBQK-UHFFFAOYSA-N 0 3 297.446 3.735 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001231586168 1132316846 /nfs/dbraw/zinc/31/68/46/1132316846.db2.gz CKQPADZGAXBLRF-KXBFYZLASA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001231586168 1132316854 /nfs/dbraw/zinc/31/68/54/1132316854.db2.gz CKQPADZGAXBLRF-KXBFYZLASA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC12CC2 ZINC001231588876 1132317140 /nfs/dbraw/zinc/31/71/40/1132317140.db2.gz XYBPEUYCPYTJOQ-UHFFFAOYSA-N 0 3 253.345 3.674 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC12CC2 ZINC001231588876 1132317145 /nfs/dbraw/zinc/31/71/45/1132317145.db2.gz XYBPEUYCPYTJOQ-UHFFFAOYSA-N 0 3 253.345 3.674 20 10 CHCDHN CC(C)O[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231591243 1132320250 /nfs/dbraw/zinc/32/02/50/1132320250.db2.gz ZMABJNIFUYMMLV-HNNXBMFYSA-N 0 3 285.387 3.545 20 10 CHCDHN CC(C)O[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231591243 1132320258 /nfs/dbraw/zinc/32/02/58/1132320258.db2.gz ZMABJNIFUYMMLV-HNNXBMFYSA-N 0 3 285.387 3.545 20 10 CHCDHN CCc1ccc(CN(CC)Cc2ccc(N(C)C)cc2)nc1 ZINC001231642686 1132332064 /nfs/dbraw/zinc/33/20/64/1132332064.db2.gz MATHNNBMTWXRIS-UHFFFAOYSA-N 0 3 297.446 3.732 20 10 CHCDHN Cc1cc(C)c(CN2Cc3ccccc3C2)c(O)c1 ZINC001231841637 1132375685 /nfs/dbraw/zinc/37/56/85/1132375685.db2.gz GDWZJLAZAZYOQV-UHFFFAOYSA-N 0 3 253.345 3.525 20 10 CHCDHN COc1cc(N(C)C)ccc1CN(C)Cc1cccc(C)c1 ZINC001231848570 1132379387 /nfs/dbraw/zinc/37/93/87/1132379387.db2.gz IINZYFOLVYUQQE-UHFFFAOYSA-N 0 3 298.430 3.702 20 10 CHCDHN C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841743483 1132387578 /nfs/dbraw/zinc/38/75/78/1132387578.db2.gz HPQCPFWSOWMJCS-CYBMUJFWSA-N 0 3 296.842 3.572 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2COCc3ccccc32)c1 ZINC000841758348 1132394918 /nfs/dbraw/zinc/39/49/18/1132394918.db2.gz AOKMYHVAFOGHOJ-CXAGYDPISA-N 0 3 283.371 3.623 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCCCC2)c([O-])c1 ZINC000841760978 1132396993 /nfs/dbraw/zinc/39/69/93/1132396993.db2.gz HLJFXZKJRWYVIW-GDBMZVCRSA-N 0 3 291.435 3.683 20 10 CHCDHN Cc1c(F)cc(CN(C)Cc2ccccc2O)cc1F ZINC001232424750 1132469795 /nfs/dbraw/zinc/46/97/95/1132469795.db2.gz RKXWWNTXWWEFJG-UHFFFAOYSA-N 0 3 277.314 3.611 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)CC(F)F)c([O-])c1 ZINC000842892782 1132474618 /nfs/dbraw/zinc/47/46/18/1132474618.db2.gz FFNPPZVBTOXSBV-JQWIXIFHSA-N 0 3 271.351 3.951 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(C)cc1[O-] ZINC000842931000 1132478179 /nfs/dbraw/zinc/47/81/79/1132478179.db2.gz ZXOUFUCMGAMBQF-AYDFFVQHSA-N 0 3 259.393 3.930 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCSc2ccccc2C1 ZINC001203561203 1133340716 /nfs/dbraw/zinc/34/07/16/1133340716.db2.gz NGKQQCZVFBYQLZ-UHFFFAOYSA-N 0 3 271.385 3.500 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCSc2ccccc2C1 ZINC001203561203 1133340720 /nfs/dbraw/zinc/34/07/20/1133340720.db2.gz NGKQQCZVFBYQLZ-UHFFFAOYSA-N 0 3 271.385 3.500 20 10 CHCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])c(C)c1C ZINC001203723837 1133359305 /nfs/dbraw/zinc/35/93/05/1133359305.db2.gz SQXZWCIPSLMGOS-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])c(C)c1C ZINC001203723837 1133359309 /nfs/dbraw/zinc/35/93/09/1133359309.db2.gz SQXZWCIPSLMGOS-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001204275059 1133427664 /nfs/dbraw/zinc/42/76/64/1133427664.db2.gz MYZWFCWWSXJTCX-MRXNPFEDSA-N 0 3 297.398 3.553 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001204275059 1133427669 /nfs/dbraw/zinc/42/76/69/1133427669.db2.gz MYZWFCWWSXJTCX-MRXNPFEDSA-N 0 3 297.398 3.553 20 10 CHCDHN C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCC1(F)F ZINC001204326294 1133438551 /nfs/dbraw/zinc/43/85/51/1133438551.db2.gz WUJZKXPXBVVLKO-CQSZACIVSA-N 0 3 294.389 3.764 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1[O-] ZINC001205298885 1133556889 /nfs/dbraw/zinc/55/68/89/1133556889.db2.gz JREWYIKVTWWOSZ-NSHDSACASA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C(C)(C)C2)c1[O-] ZINC001205298885 1133556894 /nfs/dbraw/zinc/55/68/94/1133556894.db2.gz JREWYIKVTWWOSZ-NSHDSACASA-N 0 3 297.826 3.922 20 10 CHCDHN C[C@H]([NH2+]C1CCC2(CSC2)CC1)c1ccccc1[O-] ZINC001207160243 1133772991 /nfs/dbraw/zinc/77/29/91/1133772991.db2.gz OYILFLMBQGQEDK-LBPRGKRZSA-N 0 3 277.433 3.719 20 10 CHCDHN CC[N@H+](CCCc1ccccc1F)Cc1ccccc1[O-] ZINC001207494286 1133808527 /nfs/dbraw/zinc/80/85/27/1133808527.db2.gz APTHWVWBPAUQKM-UHFFFAOYSA-N 0 3 287.378 3.986 20 10 CHCDHN CC[N@@H+](CCCc1ccccc1F)Cc1ccccc1[O-] ZINC001207494286 1133808535 /nfs/dbraw/zinc/80/85/35/1133808535.db2.gz APTHWVWBPAUQKM-UHFFFAOYSA-N 0 3 287.378 3.986 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCCCCCCC1 ZINC000322238617 1135649620 /nfs/dbraw/zinc/64/96/20/1135649620.db2.gz KTBLYSUIBAAOGR-UHFFFAOYSA-N 0 3 251.345 3.688 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000020088435 170988588 /nfs/dbraw/zinc/98/85/88/170988588.db2.gz CGYMWSSTPUKSSG-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1[O-] ZINC000020123556 171005170 /nfs/dbraw/zinc/00/51/70/171005170.db2.gz ZJASMSCGSHPGGK-GXTWGEPZSA-N 0 3 256.349 3.589 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000020129740 171018312 /nfs/dbraw/zinc/01/83/12/171018312.db2.gz JAMZRKGHGBRESE-MLGOLLRUSA-N 0 3 253.345 3.730 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(C)c1)c1ccccc1[O-] ZINC000020134233 171021982 /nfs/dbraw/zinc/02/19/82/171021982.db2.gz BPOOYWCNTDZBQE-INIZCTEOSA-N 0 3 255.361 3.942 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000020133811 171022098 /nfs/dbraw/zinc/02/20/98/171022098.db2.gz DNARGYBSJCEBKR-KRWDZBQOSA-N 0 3 283.371 3.568 20 10 CHCDHN CN(C)c1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000020146113 171032181 /nfs/dbraw/zinc/03/21/81/171032181.db2.gz UOUUGPVNFVTSPF-UHFFFAOYSA-N 0 3 274.795 3.696 20 10 CHCDHN C[C@H]([NH2+]CCCOC1CCCCC1)c1ccccc1[O-] ZINC000020191439 171057731 /nfs/dbraw/zinc/05/77/31/171057731.db2.gz POOHXNQPNWHOJI-AWEZNQCLSA-N 0 3 277.408 3.782 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1[O-] ZINC000020204256 171069699 /nfs/dbraw/zinc/06/96/99/171069699.db2.gz YTLCKFNSHLBJDU-SMDDNHRTSA-N 0 3 257.333 3.713 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCc3occc32)c1 ZINC000020204537 171069724 /nfs/dbraw/zinc/06/97/24/171069724.db2.gz IPDRUEJVNGDUIK-ABAIWWIYSA-N 0 3 287.359 3.722 20 10 CHCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccco1 ZINC000022146674 171356755 /nfs/dbraw/zinc/35/67/55/171356755.db2.gz MYTCQOLVZRPEPD-DGCLKSJQSA-N 0 3 257.333 3.632 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000071406564 176155858 /nfs/dbraw/zinc/15/58/58/176155858.db2.gz IDJGJWNXQHDAQC-HNNXBMFYSA-N 0 3 269.388 3.812 20 10 CHCDHN Cc1ccccc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000037362789 260094852 /nfs/dbraw/zinc/09/48/52/260094852.db2.gz HUIOYIULRYAZQF-CQSZACIVSA-N 0 3 267.372 3.781 20 10 CHCDHN COCc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000037762790 260116945 /nfs/dbraw/zinc/11/69/45/260116945.db2.gz GRAZISLXJDRBHH-AWEZNQCLSA-N 0 3 285.387 3.698 20 10 CHCDHN CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(OC)cc1 ZINC000126986457 260360275 /nfs/dbraw/zinc/36/02/75/260360275.db2.gz KSQSOZXGNWPNLR-GOSISDBHSA-N 0 3 297.398 3.871 20 10 CHCDHN CC[C@H](N[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000152369706 261063581 /nfs/dbraw/zinc/06/35/81/261063581.db2.gz CVCJYTOBDVULRH-YOEHRIQHSA-N 0 3 283.419 3.950 20 10 CHCDHN CC[C@H](NCc1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000154422654 261091683 /nfs/dbraw/zinc/09/16/83/261091683.db2.gz ZVNKDTOZROEVDB-SFHVURJKSA-N 0 3 284.403 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccc1[O-] ZINC000155983774 261111189 /nfs/dbraw/zinc/11/11/89/261111189.db2.gz COXIKLJYSOTAPO-ZWKOTPCHSA-N 0 3 299.414 3.947 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CCOC)CCC1)c1ccccc1[O-] ZINC000156357578 261120531 /nfs/dbraw/zinc/12/05/31/261120531.db2.gz ZYBUOTZKNBABSG-OAHLLOKOSA-N 0 3 277.408 3.640 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000156413975 261123129 /nfs/dbraw/zinc/12/31/29/261123129.db2.gz PZTRCASRBPAFSQ-BJZITVGISA-N 0 3 299.414 3.945 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCCCO2)c([O-])c1 ZINC000183985597 262003626 /nfs/dbraw/zinc/00/36/26/262003626.db2.gz VUXKIFWSSLLDGS-GJZGRUSLSA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000183985220 262003979 /nfs/dbraw/zinc/00/39/79/262003979.db2.gz BHOFLUVAFSXAAA-CABCVRRESA-N 0 3 277.408 3.701 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1[O-] ZINC000117395187 262024321 /nfs/dbraw/zinc/02/43/21/262024321.db2.gz VUURVNJGQIIBHQ-UONOGXRCSA-N 0 3 295.448 3.555 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)c([O-])c1 ZINC000184911790 262033048 /nfs/dbraw/zinc/03/30/48/262033048.db2.gz OGABXRTVVYOIBT-CYBMUJFWSA-N 0 3 273.351 3.999 20 10 CHCDHN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185021094 262037526 /nfs/dbraw/zinc/03/75/26/262037526.db2.gz UYRGZESSFGJLBC-CYBMUJFWSA-N 0 3 298.386 3.510 20 10 CHCDHN CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000185102043 262040910 /nfs/dbraw/zinc/04/09/10/262040910.db2.gz NCKDFIKUZPOZOO-RDTXWAMCSA-N 0 3 285.387 3.739 20 10 CHCDHN CO[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1[O-])c1ccccc1 ZINC000185101689 262041223 /nfs/dbraw/zinc/04/12/23/262041223.db2.gz KHZNLPPSRRRSCI-KSSFIOAISA-N 0 3 285.387 3.739 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCOC2CCCC2)c([O-])c1 ZINC000185240680 262047852 /nfs/dbraw/zinc/04/78/52/262047852.db2.gz QWXVGWYUVNUNDN-CQSZACIVSA-N 0 3 277.408 3.701 20 10 CHCDHN CCc1nc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])cs1 ZINC000185310880 262049510 /nfs/dbraw/zinc/04/95/10/262049510.db2.gz MBRVHBMIIKTWEC-GFCCVEGCSA-N 0 3 290.432 3.613 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c([O-])c1 ZINC000185532589 262058895 /nfs/dbraw/zinc/05/88/95/262058895.db2.gz ADPXLEZRADDGSH-QAPCUYQASA-N 0 3 299.414 3.865 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000186116051 262079773 /nfs/dbraw/zinc/07/97/73/262079773.db2.gz NQEGZWPVQFHXBM-HNNXBMFYSA-N 0 3 291.435 3.948 20 10 CHCDHN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186158027 262082575 /nfs/dbraw/zinc/08/25/75/262082575.db2.gz PESAFQVXBDRGKM-NEPJUHHUSA-N 0 3 288.391 3.760 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186158362 262082903 /nfs/dbraw/zinc/08/29/03/262082903.db2.gz NCQCGRSHQSQXOV-VHSXEESVSA-N 0 3 292.354 3.590 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(Cl)cn2)c1 ZINC000186229867 262085257 /nfs/dbraw/zinc/08/52/57/262085257.db2.gz NUVOISZTBQJILM-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c([O-])c1 ZINC000186602882 262101485 /nfs/dbraw/zinc/10/14/85/262101485.db2.gz NQCOGXDKZXXSRR-CQSZACIVSA-N 0 3 299.414 3.779 20 10 CHCDHN COc1cccc(CNc2ccnc3ccc(C)cc32)c1O ZINC000302156587 328830745 /nfs/dbraw/zinc/83/07/45/328830745.db2.gz NALJAWPWNKSXSM-UHFFFAOYSA-N 0 3 294.354 3.870 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)CC2 ZINC000527969284 330301366 /nfs/dbraw/zinc/30/13/66/330301366.db2.gz SWOFYKQFMCQTNX-BEFAXECRSA-N 0 3 294.398 3.906 20 10 CHCDHN CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000050886953 521010631 /nfs/dbraw/zinc/01/06/31/521010631.db2.gz SXIOGTAZOKLCKU-NEPJUHHUSA-N 0 3 251.370 3.630 20 10 CHCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])c1cccs1 ZINC000083601805 519267956 /nfs/dbraw/zinc/26/79/56/519267956.db2.gz OQYGUHDMOKWCIV-UHFFFAOYSA-N 0 3 261.390 3.521 20 10 CHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cccnc1 ZINC000263808607 519655160 /nfs/dbraw/zinc/65/51/60/519655160.db2.gz VXVAFJASWXVFEX-UHFFFAOYSA-N 0 3 283.419 3.558 20 10 CHCDHN CCC[C@H](CCO)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280224658 521097375 /nfs/dbraw/zinc/09/73/75/521097375.db2.gz UYVYKWDNNNPRMT-GDBMZVCRSA-N 0 3 279.424 3.540 20 10 CHCDHN CCC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@H](O)c1ccccc1 ZINC000279999920 521176264 /nfs/dbraw/zinc/17/62/64/521176264.db2.gz FXIVTEMKRQUFPM-DKSSEZFCSA-N 0 3 299.414 3.945 20 10 CHCDHN CCOc1cccc(C[N@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000290113067 521330999 /nfs/dbraw/zinc/33/09/99/521330999.db2.gz ILCVMVABROXOIS-UHFFFAOYSA-N 0 3 299.361 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000290113067 521331006 /nfs/dbraw/zinc/33/10/06/521331006.db2.gz ILCVMVABROXOIS-UHFFFAOYSA-N 0 3 299.361 3.801 20 10 CHCDHN CCOc1cccc(CN2CCC[C@@H]2c2ccncc2)c1O ZINC000289982853 521336624 /nfs/dbraw/zinc/33/66/24/521336624.db2.gz ZYHLAVHMXWZAQZ-MRXNPFEDSA-N 0 3 298.386 3.523 20 10 CHCDHN CCOc1cccc(CN2CCC[C@H]2c2ccncc2)c1O ZINC000289982850 521340494 /nfs/dbraw/zinc/34/04/94/521340494.db2.gz ZYHLAVHMXWZAQZ-INIZCTEOSA-N 0 3 298.386 3.523 20 10 CHCDHN CN(C)c1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278392074 522182510 /nfs/dbraw/zinc/18/25/10/522182510.db2.gz MXLZRJLDPPCMEX-CYBMUJFWSA-N 0 3 286.341 3.527 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000280288063 522601331 /nfs/dbraw/zinc/60/13/31/522601331.db2.gz ZATOHAIZAJOIRU-UXLLHSPISA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000280156365 522655020 /nfs/dbraw/zinc/65/50/20/522655020.db2.gz QLLJMPNZEHRMHD-KRWDZBQOSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@H]([NH2+]Cc1cnc(C)s1)c1ccc(C)cc1[O-] ZINC000280191534 522662767 /nfs/dbraw/zinc/66/27/67/522662767.db2.gz SGDSEXFMYXZNMG-AWEZNQCLSA-N 0 3 276.405 3.706 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccccc1)c1ccccc1[O-] ZINC000290192293 522736331 /nfs/dbraw/zinc/73/63/31/522736331.db2.gz GADHXXDAFZINNR-RPVQJOFSSA-N 0 3 285.387 3.555 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(C)cc1[O-] ZINC000280272576 522924905 /nfs/dbraw/zinc/92/49/05/522924905.db2.gz YABYPQNEXFHBIX-HZPDHXFCSA-N 0 3 299.418 3.552 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCc2ccco2)c1 ZINC000020144909 524765848 /nfs/dbraw/zinc/76/58/48/524765848.db2.gz PCHZJVJHVAHTCG-CHWSQXEVSA-N 0 3 289.375 3.666 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000037718890 524766088 /nfs/dbraw/zinc/76/60/88/524766088.db2.gz VJZMJOUPTYVWNK-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000020144907 524773072 /nfs/dbraw/zinc/77/30/72/524773072.db2.gz PCHZJVJHVAHTCG-STQMWFEESA-N 0 3 289.375 3.666 20 10 CHCDHN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000277252222 525133822 /nfs/dbraw/zinc/13/38/22/525133822.db2.gz AHOJEAGKOMCLCQ-KDOFPFPSSA-N 0 3 297.398 3.574 20 10 CHCDHN CSC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000278594543 525335395 /nfs/dbraw/zinc/33/53/95/525335395.db2.gz AGQGPDNZQAHYJV-LBPRGKRZSA-N 0 3 265.422 3.555 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000071407917 525351678 /nfs/dbraw/zinc/35/16/78/525351678.db2.gz WMPYGTADAPGMGI-CHWSQXEVSA-N 0 3 287.325 3.911 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)c1 ZINC000273410682 525363309 /nfs/dbraw/zinc/36/33/09/525363309.db2.gz HRYBFYOSQJAXSE-ILXRZTDVSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@@H](NCc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000037246812 525533144 /nfs/dbraw/zinc/53/31/44/525533144.db2.gz MDHFSBJSHVWGHB-CYBMUJFWSA-N 0 3 272.367 3.743 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1OC(F)F ZINC000037084592 525538051 /nfs/dbraw/zinc/53/80/51/525538051.db2.gz MZZDWMIYGUIYOS-LLVKDONJSA-N 0 3 293.313 3.844 20 10 CHCDHN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(N(C)C)cc1 ZINC000130333953 525631675 /nfs/dbraw/zinc/63/16/75/525631675.db2.gz YHOIYGFUROTYOK-UGSOOPFHSA-N 0 3 296.414 3.796 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000037775503 525662448 /nfs/dbraw/zinc/66/24/48/525662448.db2.gz RPFBFHMWJZKYGP-VXGBXAGGSA-N 0 3 286.331 3.712 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc32)c([O-])c1C ZINC000290334261 525730783 /nfs/dbraw/zinc/73/07/83/525730783.db2.gz OZYDGFKVKWKZBU-HUUCEWRRSA-N 0 3 297.398 3.836 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)c2c1c(F)ccc2[O-] ZINC000834819163 1118572740 /nfs/dbraw/zinc/57/27/40/1118572740.db2.gz SZLJZAOYLOTSIG-PSASIEDQSA-N 0 3 273.298 3.715 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)c2c1c(F)ccc2[O-] ZINC000834819164 1118572830 /nfs/dbraw/zinc/57/28/30/1118572830.db2.gz SZLJZAOYLOTSIG-SCZZXKLOSA-N 0 3 273.298 3.715 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000272249111 1122196000 /nfs/dbraw/zinc/19/60/00/1122196000.db2.gz HWMKTRGLSYPKHE-CQSZACIVSA-N 0 3 259.374 3.791 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000272249111 1122196005 /nfs/dbraw/zinc/19/60/05/1122196005.db2.gz HWMKTRGLSYPKHE-CQSZACIVSA-N 0 3 259.374 3.791 20 10 CHCDHN C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757421 1125073733 /nfs/dbraw/zinc/07/37/33/1125073733.db2.gz ZWHUSXBOVCQUOV-NEPJUHHUSA-N 0 3 267.438 3.963 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000228669729 1125250354 /nfs/dbraw/zinc/25/03/54/1125250354.db2.gz GCLKTHRNRQOHNM-GXFFZTMASA-N 0 3 283.799 3.723 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)c1[O-] ZINC000834875441 1131716154 /nfs/dbraw/zinc/71/61/54/1131716154.db2.gz OYPVZSMOKNGFGZ-MFKMUULPSA-N 0 3 283.799 3.572 20 10 CHCDHN CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000834904971 1131727941 /nfs/dbraw/zinc/72/79/41/1131727941.db2.gz RKBAECRNCFAORY-GDLVEWKHSA-N 0 3 297.826 3.818 20 10 CHCDHN C[N@H+](Cc1cc(Cl)c([O-])cc1O)C1CCCCC1 ZINC001232258563 1132444167 /nfs/dbraw/zinc/44/41/67/1132444167.db2.gz KMSSLVNAAAGOOB-UHFFFAOYSA-N 0 3 269.772 3.516 20 10 CHCDHN C[N@@H+](Cc1cc(Cl)c([O-])cc1O)C1CCCCC1 ZINC001232258563 1132444172 /nfs/dbraw/zinc/44/41/72/1132444172.db2.gz KMSSLVNAAAGOOB-UHFFFAOYSA-N 0 3 269.772 3.516 20 10 CHCDHN CN(C)c1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000729685512 1125550479 /nfs/dbraw/zinc/55/04/79/1125550479.db2.gz FKXUVSDJRWBLCY-UHFFFAOYSA-N 0 3 284.378 3.671 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282917400 1125556557 /nfs/dbraw/zinc/55/65/57/1125556557.db2.gz DVNJSGASJPVSSG-CQSZACIVSA-N 0 3 299.336 3.947 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282917400 1125556562 /nfs/dbraw/zinc/55/65/62/1125556562.db2.gz DVNJSGASJPVSSG-CQSZACIVSA-N 0 3 299.336 3.947 20 10 CHCDHN COCCCC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179563633 1126829727 /nfs/dbraw/zinc/82/97/27/1126829727.db2.gz UDYOBWSBOYXJPD-UHFFFAOYSA-N 0 3 299.414 3.821 20 10 CHCDHN COCCCC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179563633 1126829728 /nfs/dbraw/zinc/82/97/28/1126829728.db2.gz UDYOBWSBOYXJPD-UHFFFAOYSA-N 0 3 299.414 3.821 20 10 CHCDHN COc1cccc(CCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000179875747 1126835934 /nfs/dbraw/zinc/83/59/34/1126835934.db2.gz GFUHOAWIPYLHTA-CQSZACIVSA-N 0 3 285.387 3.684 20 10 CHCDHN CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000179878186 1126836146 /nfs/dbraw/zinc/83/61/46/1126836146.db2.gz NTSNHDCCFRJXHS-CYBMUJFWSA-N 0 3 271.360 3.642 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1[O-] ZINC000183414111 1126886672 /nfs/dbraw/zinc/88/66/72/1126886672.db2.gz ZEUCWXFQVZRUIZ-OAHLLOKOSA-N 0 3 296.414 3.843 20 10 CHCDHN COCc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1F ZINC000183521199 1126887339 /nfs/dbraw/zinc/88/73/39/1126887339.db2.gz WJNBAWHNEOKACE-LBPRGKRZSA-N 0 3 289.350 3.529 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1F ZINC000183499589 1126887863 /nfs/dbraw/zinc/88/78/63/1126887863.db2.gz DWQIOBQSVOIYNM-LBPRGKRZSA-N 0 3 289.350 3.781 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccncc1 ZINC000183529180 1126888705 /nfs/dbraw/zinc/88/87/05/1126888705.db2.gz ZHMKWWMJOQPOBC-IUODEOHRSA-N 0 3 256.349 3.589 20 10 CHCDHN C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587981 1126889567 /nfs/dbraw/zinc/88/95/67/1126889567.db2.gz AVXPUUSSKMEEBU-XUJVJEKNSA-N 0 3 291.416 3.617 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccncc1 ZINC000185541499 1126900262 /nfs/dbraw/zinc/90/02/62/1126900262.db2.gz FRVODIXBXOMUFR-BBRMVZONSA-N 0 3 270.376 3.898 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccncc1 ZINC000185541919 1126900301 /nfs/dbraw/zinc/90/03/01/1126900301.db2.gz SRAKESJUTGGJFD-IAQYHMDHSA-N 0 3 274.339 3.728 20 10 CHCDHN CC(C)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185881314 1126905428 /nfs/dbraw/zinc/90/54/28/1126905428.db2.gz BKSHQFHJJBRTGC-GFCCVEGCSA-N 0 3 296.842 3.569 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccccc1[O-] ZINC000187889882 1126916829 /nfs/dbraw/zinc/91/68/29/1126916829.db2.gz JIFSWMOEHAFFKU-MJGOQNOKSA-N 0 3 299.414 3.731 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[O-] ZINC000906594272 1126961331 /nfs/dbraw/zinc/96/13/31/1126961331.db2.gz CTSXMOLYWGBIOE-UVBJJODRSA-N 0 3 271.335 3.738 20 10 CHCDHN CC[C@H](NCc1ccc(Cl)o1)c1ccccc1O ZINC000698077290 1127038785 /nfs/dbraw/zinc/03/87/85/1127038785.db2.gz YKNRPHUUWVWIIS-LBPRGKRZSA-N 0 3 265.740 3.880 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1[O-] ZINC000698077290 1127038787 /nfs/dbraw/zinc/03/87/87/1127038787.db2.gz YKNRPHUUWVWIIS-LBPRGKRZSA-N 0 3 265.740 3.880 20 10 CHCDHN CC[C@@H](NCc1ccc(Cl)o1)c1ccccc1O ZINC000698077288 1127039017 /nfs/dbraw/zinc/03/90/17/1127039017.db2.gz YKNRPHUUWVWIIS-GFCCVEGCSA-N 0 3 265.740 3.880 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1[O-] ZINC000698077288 1127039021 /nfs/dbraw/zinc/03/90/21/1127039021.db2.gz YKNRPHUUWVWIIS-GFCCVEGCSA-N 0 3 265.740 3.880 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2(C(F)(F)F)CC2)c([O-])c1 ZINC000797070327 1130958558 /nfs/dbraw/zinc/95/85/58/1130958558.db2.gz KJLPCRDLTFJATB-SNVBAGLBSA-N 0 3 273.298 3.694 20 10 CHCDHN COc1ccc2ccc([O-])c(C[NH+]3C4CCC3CC4)c2c1 ZINC000912786476 1127111768 /nfs/dbraw/zinc/11/17/68/1127111768.db2.gz IBZIFXGBFBCDDC-UHFFFAOYSA-N 0 3 283.371 3.681 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284016712 1127169953 /nfs/dbraw/zinc/16/99/53/1127169953.db2.gz HXVXPPMESBQCPZ-PKOBYXMFSA-N 0 3 297.398 3.689 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284016712 1127169956 /nfs/dbraw/zinc/16/99/56/1127169956.db2.gz HXVXPPMESBQCPZ-PKOBYXMFSA-N 0 3 297.398 3.689 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000285293286 1127221894 /nfs/dbraw/zinc/22/18/94/1127221894.db2.gz RTRAVUKIILJEEH-JYJNAYRXSA-N 0 3 291.435 3.865 20 10 CHCDHN C[N@H+](CCc1nccs1)Cc1c([O-])ccc2ccccc21 ZINC000157131396 1127229188 /nfs/dbraw/zinc/22/91/88/1127229188.db2.gz UUQDIRQKQMZETP-UHFFFAOYSA-N 0 3 298.411 3.676 20 10 CHCDHN C[N@@H+](CCc1nccs1)Cc1c([O-])ccc2ccccc21 ZINC000157131396 1127229191 /nfs/dbraw/zinc/22/91/91/1127229191.db2.gz UUQDIRQKQMZETP-UHFFFAOYSA-N 0 3 298.411 3.676 20 10 CHCDHN CSCc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000289211752 1127377509 /nfs/dbraw/zinc/37/75/09/1127377509.db2.gz BZWUJJRMBJSZQY-UHFFFAOYSA-N 0 3 291.391 3.684 20 10 CHCDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cncc(F)c1 ZINC000359000550 1127443485 /nfs/dbraw/zinc/44/34/85/1127443485.db2.gz IBNWANZCKLEIMC-CYBMUJFWSA-N 0 3 297.377 3.872 20 10 CHCDHN CC[C@@H]([NH2+]CCC1(COC)CCC1)c1ccccc1[O-] ZINC000293567976 1127506059 /nfs/dbraw/zinc/50/60/59/1127506059.db2.gz BBJRXTVNCWLAHE-OAHLLOKOSA-N 0 3 277.408 3.640 20 10 CHCDHN CC(F)(F)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000293886940 1127529585 /nfs/dbraw/zinc/52/95/85/1127529585.db2.gz KDRJDRZPQJBUKN-UHFFFAOYSA-N 0 3 295.304 3.933 20 10 CHCDHN Cc1cc(CN(C)[C@H](C)c2ccncc2)ccc1N(C)C ZINC000293917334 1127533530 /nfs/dbraw/zinc/53/35/30/1127533530.db2.gz XPKNXXCKKRAFDK-OAHLLOKOSA-N 0 3 283.419 3.649 20 10 CHCDHN Oc1ccccc1CNCc1cc(C2CC2)ccc1F ZINC000294669082 1127589684 /nfs/dbraw/zinc/58/96/84/1127589684.db2.gz AKUXIFBOYHARCH-UHFFFAOYSA-N 0 3 271.335 3.699 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1cc(C2CC2)ccc1F ZINC000294669082 1127589688 /nfs/dbraw/zinc/58/96/88/1127589688.db2.gz AKUXIFBOYHARCH-UHFFFAOYSA-N 0 3 271.335 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccccc1[O-] ZINC000294733310 1127595744 /nfs/dbraw/zinc/59/57/44/1127595744.db2.gz GMPJYKCSKRHQAR-OAHLLOKOSA-N 0 3 284.403 3.806 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccccc1[O-] ZINC000362488602 1127639786 /nfs/dbraw/zinc/63/97/86/1127639786.db2.gz RVMJOJRSDLWNFO-PKOBYXMFSA-N 0 3 297.398 3.747 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccccc1[O-] ZINC000229578845 1127696971 /nfs/dbraw/zinc/69/69/71/1127696971.db2.gz JIYZDTFYWZJIDA-GXSJLCMTSA-N 0 3 261.287 3.774 20 10 CHCDHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C)cc1O)CO2 ZINC000373263966 1127830856 /nfs/dbraw/zinc/83/08/56/1127830856.db2.gz ALZQDANLCCULLR-CJNGLKHVSA-N 0 3 283.371 3.793 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000311361693 1127925584 /nfs/dbraw/zinc/92/55/84/1127925584.db2.gz FHEZMWVAWZFVGT-UHFFFAOYSA-N 0 3 263.356 3.688 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000311361693 1127925587 /nfs/dbraw/zinc/92/55/87/1127925587.db2.gz FHEZMWVAWZFVGT-UHFFFAOYSA-N 0 3 263.356 3.688 20 10 CHCDHN Cc1cc(O)c(CN(C)Cc2ccc(Cl)nc2)cc1C ZINC000029886165 1128068054 /nfs/dbraw/zinc/06/80/54/1128068054.db2.gz AMFSWFSETHBPJK-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN CC[C@H]([NH2+]CCSCC(F)(F)F)c1ccccc1[O-] ZINC000698952795 1128069560 /nfs/dbraw/zinc/06/95/60/1128069560.db2.gz LUAIRKKSKXXEEO-NSHDSACASA-N 0 3 293.354 3.728 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cc(F)ccc1[O-] ZINC000927127208 1128220980 /nfs/dbraw/zinc/22/09/80/1128220980.db2.gz GOAVHEHNQXMPRE-GXTWGEPZSA-N 0 3 293.382 3.674 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)c2c1c(F)ccc2[O-] ZINC000762776129 1128318052 /nfs/dbraw/zinc/31/80/52/1128318052.db2.gz CWGSATOMNRNBJG-BZNIZROVSA-N 0 3 297.373 3.837 20 10 CHCDHN Cc1cc(O)c(CN2CCOC(C)(C)[C@H]2C)cc1C(C)C ZINC000763212652 1128377666 /nfs/dbraw/zinc/37/76/66/1128377666.db2.gz OYUPSQUNYQTDLC-CQSZACIVSA-N 0 3 291.435 3.823 20 10 CHCDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1C ZINC000042203106 1128568812 /nfs/dbraw/zinc/56/88/12/1128568812.db2.gz PMTMNZBINNEUDQ-CYBMUJFWSA-N 0 3 299.370 3.583 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000155238071 1128602725 /nfs/dbraw/zinc/60/27/25/1128602725.db2.gz ORLZYTUZZHHURV-UHFFFAOYSA-N 0 3 271.335 3.696 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000155238071 1128602727 /nfs/dbraw/zinc/60/27/27/1128602727.db2.gz ORLZYTUZZHHURV-UHFFFAOYSA-N 0 3 271.335 3.696 20 10 CHCDHN CN(C)c1ccc(CN(Cc2cccs2)C2CC2)cc1 ZINC000920258336 1128674959 /nfs/dbraw/zinc/67/49/59/1128674959.db2.gz MRVXVEWTWKPCSH-UHFFFAOYSA-N 0 3 286.444 3.979 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])Cc2ccccc21 ZINC000778995389 1128675745 /nfs/dbraw/zinc/67/57/45/1128675745.db2.gz RJLJRPFURCUAGD-LBPRGKRZSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])Cc2ccccc21 ZINC000778995389 1128675749 /nfs/dbraw/zinc/67/57/49/1128675749.db2.gz RJLJRPFURCUAGD-LBPRGKRZSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779022442 1128685195 /nfs/dbraw/zinc/68/51/95/1128685195.db2.gz BTCNNIBOSJUDMT-GOSISDBHSA-N 0 3 285.362 3.695 20 10 CHCDHN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779022442 1128685197 /nfs/dbraw/zinc/68/51/97/1128685197.db2.gz BTCNNIBOSJUDMT-GOSISDBHSA-N 0 3 285.362 3.695 20 10 CHCDHN C[C@H]1C[C@@H]1c1ccc(CNCc2cc(F)ccc2O)o1 ZINC000779065326 1128716095 /nfs/dbraw/zinc/71/60/95/1128716095.db2.gz PDUVMHROXBXODX-HZMBPMFUSA-N 0 3 275.323 3.538 20 10 CHCDHN CCC(CC)(C[NH2+][C@H](C)c1ccccc1[O-])SC ZINC000228794991 1117791097 /nfs/dbraw/zinc/79/10/97/1117791097.db2.gz VMQMVZYEJHXQMN-GFCCVEGCSA-N 0 3 267.438 3.965 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(C#N)cc2F)c(O)c1 ZINC000185378071 1117814663 /nfs/dbraw/zinc/81/46/63/1117814663.db2.gz HIYAAYCXIWOBRX-LBPRGKRZSA-N 0 3 284.334 3.562 20 10 CHCDHN Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000185403016 1117820369 /nfs/dbraw/zinc/82/03/69/1117820369.db2.gz CEYNUSBTNOGAHU-NSHDSACASA-N 0 3 290.432 3.667 20 10 CHCDHN C[C@@H]([NH2+]C/C=C/c1cccc(F)c1)c1ccccc1[O-] ZINC001203536484 1118147525 /nfs/dbraw/zinc/14/75/25/1118147525.db2.gz VMHQPBZWZOZTPH-VUDGCMKMSA-N 0 3 271.335 3.895 20 10 CHCDHN C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc(F)ccc1[O-] ZINC000188664686 1128763940 /nfs/dbraw/zinc/76/39/40/1128763940.db2.gz PZRPTNKZJJUEBN-PXAZEXFGSA-N 0 3 295.398 3.513 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccncc1OC)c1ccccc1[O-] ZINC000188763260 1128764827 /nfs/dbraw/zinc/76/48/27/1128764827.db2.gz SMNMKAYQTVLEMP-SWLSCSKDSA-N 0 3 286.375 3.598 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000179934876 1128767234 /nfs/dbraw/zinc/76/72/34/1128767234.db2.gz BPMFOJMTGPBLPA-AWEZNQCLSA-N 0 3 271.335 3.521 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000179934876 1128767235 /nfs/dbraw/zinc/76/72/35/1128767235.db2.gz BPMFOJMTGPBLPA-AWEZNQCLSA-N 0 3 271.335 3.521 20 10 CHCDHN CCOC1CC(CC[NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000189247488 1128769826 /nfs/dbraw/zinc/76/98/26/1128769826.db2.gz SZNJSAMXFCKQBJ-ZBCRRDGASA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)c([O-])c1 ZINC000188661133 1118326161 /nfs/dbraw/zinc/32/61/61/1118326161.db2.gz LJRNTZHXSUEXFD-KDOFPFPSSA-N 0 3 291.435 3.683 20 10 CHCDHN C[N@H+](CCc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC001203556183 1118368788 /nfs/dbraw/zinc/36/87/88/1118368788.db2.gz MLCBOSVAWABTCQ-UHFFFAOYSA-N 0 3 275.779 3.720 20 10 CHCDHN C[N@@H+](CCc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC001203556183 1118368792 /nfs/dbraw/zinc/36/87/92/1118368792.db2.gz MLCBOSVAWABTCQ-UHFFFAOYSA-N 0 3 275.779 3.720 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001203556177 1118368952 /nfs/dbraw/zinc/36/89/52/1118368952.db2.gz MKPRKNMKCJCVOT-INIZCTEOSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001203556177 1118368956 /nfs/dbraw/zinc/36/89/56/1118368956.db2.gz MKPRKNMKCJCVOT-INIZCTEOSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC001203556917 1118388865 /nfs/dbraw/zinc/38/88/65/1118388865.db2.gz WKYUXLIHSGZHGR-UHFFFAOYSA-N 0 3 299.389 3.986 20 10 CHCDHN Cc1cc([C@H](C)NCc2ccc3c(c2)CCO3)cs1 ZINC000834554505 1118440594 /nfs/dbraw/zinc/44/05/94/1118440594.db2.gz BOBMUQNKAZYPBA-LBPRGKRZSA-N 0 3 273.401 3.842 20 10 CHCDHN Cc1csc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000382259695 1118653451 /nfs/dbraw/zinc/65/34/51/1118653451.db2.gz GYCNCYGUYDNITP-GFCCVEGCSA-N 0 3 261.390 3.921 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])[C@@H]1CCCOC1 ZINC000723990761 1118797344 /nfs/dbraw/zinc/79/73/44/1118797344.db2.gz TYMHFOXNBRNMEA-LZWOXQAQSA-N 0 3 277.408 3.556 20 10 CHCDHN CC1(C)CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226611361 1119224259 /nfs/dbraw/zinc/22/42/59/1119224259.db2.gz JNPPHOMNKPCUCZ-UHFFFAOYSA-N 0 3 251.345 3.590 20 10 CHCDHN Cc1ccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000179559055 1119750520 /nfs/dbraw/zinc/75/05/20/1119750520.db2.gz SQUIPTZWQXQOEQ-UHFFFAOYSA-N 0 3 297.398 3.744 20 10 CHCDHN C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000179887160 1119791188 /nfs/dbraw/zinc/79/11/88/1119791188.db2.gz ZBLNVBPBFRICCU-GFCCVEGCSA-N 0 3 291.778 3.775 20 10 CHCDHN CCN(Cc1ccccc1F)Cc1ccc(O)c(C)c1O ZINC001140748445 1119795631 /nfs/dbraw/zinc/79/56/31/1119795631.db2.gz GQACIHUUGQPMAK-UHFFFAOYSA-N 0 3 289.350 3.567 20 10 CHCDHN Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccccc1[O-])CCC2 ZINC000376351230 1119951603 /nfs/dbraw/zinc/95/16/03/1119951603.db2.gz JXXNQBQJUFMWSV-ZWNOBZJWSA-N 0 3 288.416 3.885 20 10 CHCDHN CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000167455278 1120081162 /nfs/dbraw/zinc/08/11/62/1120081162.db2.gz BQLBDTATNNGIHP-NEPJUHHUSA-N 0 3 253.411 3.575 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)c([O-])c1 ZINC001140947988 1120127142 /nfs/dbraw/zinc/12/71/42/1120127142.db2.gz OLISBLGCFSWEAI-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1ccc(C[N@H+]2CCc3c(C)cccc3C2)c([O-])c1 ZINC001140947988 1120127143 /nfs/dbraw/zinc/12/71/43/1120127143.db2.gz OLISBLGCFSWEAI-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Clc1csc(CNCc2ccc3c(c2)CCO3)c1 ZINC000785448257 1120128487 /nfs/dbraw/zinc/12/84/87/1120128487.db2.gz NCFXEQSTGRROOO-UHFFFAOYSA-N 0 3 279.792 3.626 20 10 CHCDHN Cc1ccc(CC[N@@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140950934 1120135963 /nfs/dbraw/zinc/13/59/63/1120135963.db2.gz PPJCRHSCPZYIPM-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN Cc1ccc(CC[N@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140950934 1120135965 /nfs/dbraw/zinc/13/59/65/1120135965.db2.gz PPJCRHSCPZYIPM-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccccc1[O-] ZINC000183425847 1120341683 /nfs/dbraw/zinc/34/16/83/1120341683.db2.gz JCOARAKJLAEOFD-WMLDXEAASA-N 0 3 290.451 3.553 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000186018072 1120390309 /nfs/dbraw/zinc/39/03/09/1120390309.db2.gz IQELHKGMOMHQTA-DXCKQFNASA-N 0 3 285.362 3.986 20 10 CHCDHN COc1cccc(C[N@H+](C)CC2(c3ccccc3)CC2)c1[O-] ZINC000188716955 1120462702 /nfs/dbraw/zinc/46/27/02/1120462702.db2.gz AHKKUSVETKALGL-UHFFFAOYSA-N 0 3 297.398 3.564 20 10 CHCDHN COc1cccc(C[N@@H+](C)CC2(c3ccccc3)CC2)c1[O-] ZINC000188716955 1120462706 /nfs/dbraw/zinc/46/27/06/1120462706.db2.gz AHKKUSVETKALGL-UHFFFAOYSA-N 0 3 297.398 3.564 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CSc2ccccc21 ZINC000766030569 1120673639 /nfs/dbraw/zinc/67/36/39/1120673639.db2.gz UGBAPTMOVSMVDA-QGZVFWFLSA-N 0 3 298.455 3.998 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000078680583 1128954693 /nfs/dbraw/zinc/95/46/93/1128954693.db2.gz RXFRELYLZWRFOJ-GOSISDBHSA-N 0 3 297.398 3.573 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000078680583 1128954697 /nfs/dbraw/zinc/95/46/97/1128954697.db2.gz RXFRELYLZWRFOJ-GOSISDBHSA-N 0 3 297.398 3.573 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)CC(F)(F)F)c1ccccc1[O-] ZINC000229578861 1121206393 /nfs/dbraw/zinc/20/63/93/1121206393.db2.gz JIYZDTFYWZJIDA-MWLCHTKSSA-N 0 3 261.287 3.774 20 10 CHCDHN C[C@H]([NH2+]CCc1ccccc1F)c1cc(F)ccc1[O-] ZINC000094616649 1121216175 /nfs/dbraw/zinc/21/61/75/1121216175.db2.gz PRVXQHDIYYEHDM-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](OC)C1CCCC1)c1ccccc1[O-] ZINC000703128688 1121235416 /nfs/dbraw/zinc/23/54/16/1121235416.db2.gz PDWOULSTTKCVPD-DOTOQJQBSA-N 0 3 277.408 3.638 20 10 CHCDHN CCC[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000727831358 1121749757 /nfs/dbraw/zinc/74/97/57/1121749757.db2.gz XMOWLWCANHIBSY-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN CCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccccc1[O-] ZINC000727831358 1121749762 /nfs/dbraw/zinc/74/97/62/1121749762.db2.gz XMOWLWCANHIBSY-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN COc1ccc(CNCc2ccc(OC)c(C)c2)c(C)c1 ZINC001177991154 1121763273 /nfs/dbraw/zinc/76/32/73/1121763273.db2.gz XPWZOWHJVLWYMO-UHFFFAOYSA-N 0 3 285.387 3.610 20 10 CHCDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc[nH]2)cc1F ZINC001178398549 1121783250 /nfs/dbraw/zinc/78/32/50/1121783250.db2.gz RPNNTTCAMNOZAN-CYBMUJFWSA-N 0 3 289.398 3.851 20 10 CHCDHN C[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232706 1121828690 /nfs/dbraw/zinc/82/86/90/1121828690.db2.gz IVIMJUAQMROBND-HIFRSBDPSA-N 0 3 286.394 3.838 20 10 CHCDHN CCN(C)c1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 ZINC000773805692 1121859194 /nfs/dbraw/zinc/85/91/94/1121859194.db2.gz FVXGYWIJLGUSEX-HNNXBMFYSA-N 0 3 283.419 3.731 20 10 CHCDHN CCCC[N@H+](CCOC)Cc1c([O-])ccc2ccccc21 ZINC000731661237 1121877732 /nfs/dbraw/zinc/87/77/32/1121877732.db2.gz UVYGKVBEGNPRAC-UHFFFAOYSA-N 0 3 287.403 3.794 20 10 CHCDHN CCCC[N@@H+](CCOC)Cc1c([O-])ccc2ccccc21 ZINC000731661237 1121877739 /nfs/dbraw/zinc/87/77/39/1121877739.db2.gz UVYGKVBEGNPRAC-UHFFFAOYSA-N 0 3 287.403 3.794 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)c1ccccc1[O-] ZINC001179494337 1121884629 /nfs/dbraw/zinc/88/46/29/1121884629.db2.gz PSTCSPHYDVFSSR-WMLDXEAASA-N 0 3 281.399 3.990 20 10 CHCDHN CCN(C)c1ccc(CN[C@H](C)c2cnccc2C)cc1 ZINC000773840802 1121962745 /nfs/dbraw/zinc/96/27/45/1121962745.db2.gz QOQGVVPGIGNJTK-OAHLLOKOSA-N 0 3 283.419 3.697 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CCc1ccc(F)cc1Cl ZINC000733329270 1121978282 /nfs/dbraw/zinc/97/82/82/1121978282.db2.gz BGTSUSZUTRMMDK-UHFFFAOYSA-N 0 3 279.742 3.517 20 10 CHCDHN CC[C@H]1CCCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001180372569 1121985825 /nfs/dbraw/zinc/98/58/25/1121985825.db2.gz VCGBPWKIDGIYSU-ZDUSSCGKSA-N 0 3 282.378 3.795 20 10 CHCDHN Cc1nc(C)c([C@H](C)N(C)Cc2ccc(N)cc2)s1 ZINC001120263182 1122005352 /nfs/dbraw/zinc/00/53/52/1122005352.db2.gz LMCVIQYCFDRSCH-NSHDSACASA-N 0 3 275.421 3.535 20 10 CHCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)c([O-])c1 ZINC001181235337 1122044965 /nfs/dbraw/zinc/04/49/65/1122044965.db2.gz UZFPSOQBGXDIKQ-YUELXQCFSA-N 0 3 291.435 3.871 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1ccccc1O ZINC000272843625 1122213983 /nfs/dbraw/zinc/21/39/83/1122213983.db2.gz JYLAUQQHVUISEG-CJNGLKHVSA-N 0 3 283.371 3.793 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000272843625 1122213988 /nfs/dbraw/zinc/21/39/88/1122213988.db2.gz JYLAUQQHVUISEG-CJNGLKHVSA-N 0 3 283.371 3.793 20 10 CHCDHN C=C/C=C/CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001183582274 1122230643 /nfs/dbraw/zinc/23/06/43/1122230643.db2.gz KOZARXJZQZRRJN-SNAWJCMRSA-N 0 3 296.208 3.685 20 10 CHCDHN COCC[C@H](N[C@H](C)c1ccc(C)cc1O)c1ccco1 ZINC000273431091 1122232362 /nfs/dbraw/zinc/23/23/62/1122232362.db2.gz LCGWRLHBSMHXTF-HIFRSBDPSA-N 0 3 289.375 3.722 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(F)ccc1[O-] ZINC000273562940 1122238631 /nfs/dbraw/zinc/23/86/31/1122238631.db2.gz IPYMCRLKEHMSCA-ZUZCIYMTSA-N 0 3 287.334 3.575 20 10 CHCDHN C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000183427037 1129054491 /nfs/dbraw/zinc/05/44/91/1129054491.db2.gz IIIHPBBDPMTJAD-CYBMUJFWSA-N 0 3 285.362 3.914 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000183514204 1129059734 /nfs/dbraw/zinc/05/97/34/1129059734.db2.gz XJGCZCLLONZOOY-CVEARBPZSA-N 0 3 296.414 3.712 20 10 CHCDHN COc1cc(CC[NH2+][C@@H](C)c2ccccc2[O-])ccc1C ZINC000183527558 1129061059 /nfs/dbraw/zinc/06/10/59/1129061059.db2.gz IKSYXEKHGLDXGU-AWEZNQCLSA-N 0 3 285.387 3.603 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000775482769 1122615388 /nfs/dbraw/zinc/61/53/88/1122615388.db2.gz ACWSQFGVXBUDID-AWEZNQCLSA-N 0 3 298.858 3.674 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1ccccc1[O-] ZINC000775487021 1122616947 /nfs/dbraw/zinc/61/69/47/1122616947.db2.gz GAQORXMILILJDU-QAPCUYQASA-N 0 3 298.430 3.958 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cnccc1C)c1ccccc1[O-] ZINC000775519606 1122638714 /nfs/dbraw/zinc/63/87/14/1122638714.db2.gz MSLSCFBDWBCPQP-BBRMVZONSA-N 0 3 270.376 3.898 20 10 CHCDHN CC[C@H]([NH2+][C@H](CO)[C@H](C)c1ccccc1)c1ccccc1[O-] ZINC000775525600 1122646004 /nfs/dbraw/zinc/64/60/04/1122646004.db2.gz XNBOUEDVOWTRPY-FHLIZLRMSA-N 0 3 299.414 3.598 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC000712687103 1122704240 /nfs/dbraw/zinc/70/42/40/1122704240.db2.gz SVBPPVWYBNULQD-RISCZKNCSA-N 0 3 295.810 3.580 20 10 CHCDHN Cc1cccc(CN2CCc3c(Cl)cccc3C2)c1O ZINC000775689340 1122909168 /nfs/dbraw/zinc/90/91/68/1122909168.db2.gz GZZKFRHCBVRNSU-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000775837394 1122985707 /nfs/dbraw/zinc/98/57/07/1122985707.db2.gz SBRKWXZHCRGWCE-AWEZNQCLSA-N 0 3 283.419 3.615 20 10 CHCDHN Cc1occc1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776039195 1123050083 /nfs/dbraw/zinc/05/00/83/1123050083.db2.gz SEWNNZUACFILKJ-UHFFFAOYSA-N 0 3 265.740 3.545 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)C2(C)CC2)c1[O-] ZINC000776068218 1123051921 /nfs/dbraw/zinc/05/19/21/1123051921.db2.gz HEYNVVCDAWEHAI-SNVBAGLBSA-N 0 3 298.224 3.741 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000776153651 1123086631 /nfs/dbraw/zinc/08/66/31/1123086631.db2.gz BZFJSTZFUPLRMI-AWEZNQCLSA-N 0 3 285.387 3.684 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c([O-])c1 ZINC000776174615 1123101440 /nfs/dbraw/zinc/10/14/40/1123101440.db2.gz QCFVNAOQSRHIAN-GOSISDBHSA-N 0 3 297.398 3.876 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000189091562 1123132716 /nfs/dbraw/zinc/13/27/16/1123132716.db2.gz PYZWARSKUANIED-LBPRGKRZSA-N 0 3 297.354 3.998 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2ccncc2)c1[O-] ZINC000776222779 1123156216 /nfs/dbraw/zinc/15/62/16/1123156216.db2.gz VMOUHNWKBQNBQL-GFCCVEGCSA-N 0 3 290.794 3.642 20 10 CHCDHN Cc1cc(F)ccc1C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000850350407 1123254518 /nfs/dbraw/zinc/25/45/18/1123254518.db2.gz RQMCBCFBBIKLJV-ZDUSSCGKSA-N 0 3 273.351 3.561 20 10 CHCDHN COc1cccc(C2([NH2+]Cc3ccccc3[O-])CCC2)c1 ZINC000850405563 1123263728 /nfs/dbraw/zinc/26/37/28/1123263728.db2.gz UOZIXFYJIWLZLK-UHFFFAOYSA-N 0 3 283.371 3.570 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)c1[O-] ZINC000850482590 1123273092 /nfs/dbraw/zinc/27/30/92/1123273092.db2.gz PZWRACBAHWLHEM-CMPLNLGQSA-N 0 3 283.799 3.572 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2noc3ccccc23)c([O-])c1 ZINC000850483688 1123274548 /nfs/dbraw/zinc/27/45/48/1123274548.db2.gz QYOFOSOHTGUBRZ-CYBMUJFWSA-N 0 3 296.370 3.735 20 10 CHCDHN CSCC1(CC[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000850506097 1123275994 /nfs/dbraw/zinc/27/59/94/1123275994.db2.gz FNRFBWMOGZBRSV-GFCCVEGCSA-N 0 3 265.422 3.576 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1ccccc1[O-] ZINC000850533484 1123286052 /nfs/dbraw/zinc/28/60/52/1123286052.db2.gz ZQAFMOIZXJAQBN-OAHLLOKOSA-N 0 3 291.416 3.841 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(C)cc1[O-] ZINC000850535020 1123286296 /nfs/dbraw/zinc/28/62/96/1123286296.db2.gz PQYKJGHNNSGSSF-FMKPAKJESA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccoc1)c1ccc(C)cc1[O-] ZINC000850532589 1123286314 /nfs/dbraw/zinc/28/63/14/1123286314.db2.gz WFPYLBFMPFZWAM-HNNXBMFYSA-N 0 3 259.349 3.577 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(C)cc1[O-] ZINC000850535022 1123286396 /nfs/dbraw/zinc/28/63/96/1123286396.db2.gz PQYKJGHNNSGSSF-YCPHGPKFSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccccc1[O-] ZINC000850543761 1123288643 /nfs/dbraw/zinc/28/86/43/1123288643.db2.gz PNLHBYGTCDTURU-IRXDYDNUSA-N 0 3 283.371 3.826 20 10 CHCDHN CCSC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000850552343 1123289811 /nfs/dbraw/zinc/28/98/11/1123289811.db2.gz MLZORWOVNDGKNC-ZYHUDNBSSA-N 0 3 295.423 3.955 20 10 CHCDHN CCSC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000850552337 1123289991 /nfs/dbraw/zinc/28/99/91/1123289991.db2.gz MLZORWOVNDGKNC-CMPLNLGQSA-N 0 3 295.423 3.955 20 10 CHCDHN CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000850555142 1123290870 /nfs/dbraw/zinc/29/08/70/1123290870.db2.gz MIQAYACUKFTLQK-GDIGMMSISA-N 0 3 299.414 3.801 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1C ZINC000850579748 1123296324 /nfs/dbraw/zinc/29/63/24/1123296324.db2.gz ZGEBADWUAODLAP-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN C[C@H](O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850585145 1123296352 /nfs/dbraw/zinc/29/63/52/1123296352.db2.gz VXACVHRXNBQBFJ-DOXZYTNZSA-N 0 3 298.430 3.525 20 10 CHCDHN CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1[O-] ZINC000109770424 1123326811 /nfs/dbraw/zinc/32/68/11/1123326811.db2.gz CBBUJYCIIPVJLA-INIZCTEOSA-N 0 3 255.361 3.975 20 10 CHCDHN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000109770424 1123326814 /nfs/dbraw/zinc/32/68/14/1123326814.db2.gz CBBUJYCIIPVJLA-INIZCTEOSA-N 0 3 255.361 3.975 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000020095483 1123358833 /nfs/dbraw/zinc/35/88/33/1123358833.db2.gz JREMCYIQAYFKEH-VXGBXAGGSA-N 0 3 259.324 3.943 20 10 CHCDHN Cc1cc(C)cc(CC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000783512916 1123408475 /nfs/dbraw/zinc/40/84/75/1123408475.db2.gz HCVZCEHTAWHZEE-HNNXBMFYSA-N 0 3 269.388 3.902 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccccc1[O-] ZINC000854226055 1123478271 /nfs/dbraw/zinc/47/82/71/1123478271.db2.gz MNPGJUPOYZBAPG-IRXDYDNUSA-N 0 3 282.387 3.703 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)[C@@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000895851039 1123521348 /nfs/dbraw/zinc/52/13/48/1123521348.db2.gz IIJUPZQVTPKIFR-FMKPAKJESA-N 0 3 297.398 3.683 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)CC2 ZINC000857080438 1123585237 /nfs/dbraw/zinc/58/52/37/1123585237.db2.gz GMZPYJFFPITURH-GHMZBOCLSA-N 0 3 286.202 3.553 20 10 CHCDHN CC[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1[O-] ZINC000858538926 1123661393 /nfs/dbraw/zinc/66/13/93/1123661393.db2.gz ZATKSKUOWMHZJD-YXPYIKCWSA-N 0 3 259.393 3.869 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000858548249 1123661457 /nfs/dbraw/zinc/66/14/57/1123661457.db2.gz RPODEDAHAXRXIK-ZBINZKHDSA-N 0 3 295.810 3.572 20 10 CHCDHN CCOc1ccc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000862444676 1123811054 /nfs/dbraw/zinc/81/10/54/1123811054.db2.gz XPSBAEBLKKFOCV-RYUDHWBXSA-N 0 3 299.361 3.514 20 10 CHCDHN C/C=C\C[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862550493 1123819403 /nfs/dbraw/zinc/81/94/03/1123819403.db2.gz MEJJDQYZMZVETL-VQTKUKTRSA-N 0 3 275.392 3.579 20 10 CHCDHN C/C=C\C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862550493 1123819409 /nfs/dbraw/zinc/81/94/09/1123819409.db2.gz MEJJDQYZMZVETL-VQTKUKTRSA-N 0 3 275.392 3.579 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000794797034 1123949453 /nfs/dbraw/zinc/94/94/53/1123949453.db2.gz LQYYTFSHFBXVPP-GOSISDBHSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(C)o1)c1ccc(C)cc1[O-] ZINC000794797705 1123950510 /nfs/dbraw/zinc/95/05/10/1123950510.db2.gz PXUVFRSFQANKBJ-INIZCTEOSA-N 0 3 273.376 3.885 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc(C)cc1[O-] ZINC000794801682 1123950542 /nfs/dbraw/zinc/95/05/42/1123950542.db2.gz JWTKUVDISCBWOU-KSSFIOAISA-N 0 3 299.414 3.995 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794794012 1123951505 /nfs/dbraw/zinc/95/15/05/1123951505.db2.gz PBGKSXXZNDQTMW-XJKSGUPXSA-N 0 3 273.376 3.966 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccc(C)cc1[O-] ZINC000794803725 1123952995 /nfs/dbraw/zinc/95/29/95/1123952995.db2.gz SMSKBBGIRINUEA-ZFWWWQNUSA-N 0 3 279.424 3.945 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(C)cc1[O-] ZINC000794815568 1123957402 /nfs/dbraw/zinc/95/74/02/1123957402.db2.gz WJYJNXDGDXEEIL-WCQYABFASA-N 0 3 269.335 3.929 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794818330 1123960166 /nfs/dbraw/zinc/96/01/66/1123960166.db2.gz RVUKBZYAEOYGAK-HIFRSBDPSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H]([NH2+]CC1(SC)CC1)c1ccc(C)cc1[O-] ZINC000794826714 1123962004 /nfs/dbraw/zinc/96/20/04/1123962004.db2.gz DCLJXOGOEXVKHZ-CYBMUJFWSA-N 0 3 265.422 3.637 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@H]21 ZINC000783592151 1123995460 /nfs/dbraw/zinc/99/54/60/1123995460.db2.gz DGEMNQLAZUNGGF-BYCMXARLSA-N 0 3 263.356 3.542 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@H]21 ZINC000783592151 1123995464 /nfs/dbraw/zinc/99/54/64/1123995464.db2.gz DGEMNQLAZUNGGF-BYCMXARLSA-N 0 3 263.356 3.542 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000783593504 1124003508 /nfs/dbraw/zinc/00/35/08/1124003508.db2.gz VBBDMHKRGCMZIH-XKQJLSEDSA-N 0 3 289.419 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000783593504 1124003511 /nfs/dbraw/zinc/00/35/11/1124003511.db2.gz VBBDMHKRGCMZIH-XKQJLSEDSA-N 0 3 289.419 3.801 20 10 CHCDHN CC(C)CO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000120893496 1124032299 /nfs/dbraw/zinc/03/22/99/1124032299.db2.gz CXQVWGVAMIFEPC-MRXNPFEDSA-N 0 3 299.414 3.792 20 10 CHCDHN CC(C)CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000120893496 1124032302 /nfs/dbraw/zinc/03/23/02/1124032302.db2.gz CXQVWGVAMIFEPC-MRXNPFEDSA-N 0 3 299.414 3.792 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000866477541 1124070039 /nfs/dbraw/zinc/07/00/39/1124070039.db2.gz BAXUBSYRJCUZJZ-ZDUSSCGKSA-N 0 3 259.349 3.761 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CCCCCOc1ccccc1 ZINC000783611058 1124081856 /nfs/dbraw/zinc/08/18/56/1124081856.db2.gz PUKFKFAMDLAKSX-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1)c1ccccc1[O-] ZINC000037680201 1129165480 /nfs/dbraw/zinc/16/54/80/1129165480.db2.gz ZYWJHJNPNYKDPV-INIZCTEOSA-N 0 3 271.360 3.642 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872721388 1124726794 /nfs/dbraw/zinc/72/67/94/1124726794.db2.gz FOYCPQFUFMWBLJ-LSDHHAIUSA-N 0 3 299.439 3.730 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872721388 1124726799 /nfs/dbraw/zinc/72/67/99/1124726799.db2.gz FOYCPQFUFMWBLJ-LSDHHAIUSA-N 0 3 299.439 3.730 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccccc1[O-] ZINC000873236881 1124753308 /nfs/dbraw/zinc/75/33/08/1124753308.db2.gz JYFASCWDWIXKLR-ZIAGYGMSSA-N 0 3 282.387 3.642 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1CNc3ccccc31)CC2 ZINC000873238276 1124754899 /nfs/dbraw/zinc/75/48/99/1124754899.db2.gz YWYXDRDEDIKEOW-YOEHRIQHSA-N 0 3 294.398 3.569 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccccc1F)c1ccccc1[O-] ZINC000019912777 1124770278 /nfs/dbraw/zinc/77/02/78/1124770278.db2.gz LMTNVQZBKCQOFA-INIZCTEOSA-N 0 3 273.351 3.815 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000125406166 1124889732 /nfs/dbraw/zinc/88/97/32/1124889732.db2.gz JDLBWQXMWJRLHY-UHFFFAOYSA-N 0 3 298.773 3.884 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000876683446 1124971072 /nfs/dbraw/zinc/97/10/72/1124971072.db2.gz BSQIVOXCULHBSH-LJQANCHMSA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000876683446 1124971078 /nfs/dbraw/zinc/97/10/78/1124971078.db2.gz BSQIVOXCULHBSH-LJQANCHMSA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000876973889 1124993076 /nfs/dbraw/zinc/99/30/76/1124993076.db2.gz RLISKVVHQVEVJP-MRXNPFEDSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1ccc(C[NH2+]CCCCOCc2ccccc2)c([O-])c1 ZINC000876990920 1124995454 /nfs/dbraw/zinc/99/54/54/1124995454.db2.gz FCGCNXFXNNTVIY-UHFFFAOYSA-N 0 3 299.414 3.787 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1[O-] ZINC000877755867 1125071547 /nfs/dbraw/zinc/07/15/47/1125071547.db2.gz PMTJIVYFMIKSRV-OLZOCXBDSA-N 0 3 292.382 3.692 20 10 CHCDHN C[C@@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccccc1O ZINC000877756605 1125073840 /nfs/dbraw/zinc/07/38/40/1125073840.db2.gz XJIHRHBKAQPLPK-ZOWXZIJZSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccccc1[O-] ZINC000877756605 1125073848 /nfs/dbraw/zinc/07/38/48/1125073848.db2.gz XJIHRHBKAQPLPK-ZOWXZIJZSA-N 0 3 271.360 3.959 20 10 CHCDHN COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877757120 1125074049 /nfs/dbraw/zinc/07/40/49/1125074049.db2.gz IADFUTDRGZYQCX-KGLIPLIRSA-N 0 3 285.387 3.683 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ccccc1[O-] ZINC000877757364 1125074909 /nfs/dbraw/zinc/07/49/09/1125074909.db2.gz UAKXQIAOVMUNLY-ZDUSSCGKSA-N 0 3 267.372 3.732 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000877760409 1125075227 /nfs/dbraw/zinc/07/52/27/1125075227.db2.gz GCCOMLMEPHCNDD-VXGBXAGGSA-N 0 3 289.272 3.518 20 10 CHCDHN CCc1cccc(F)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758058 1125075300 /nfs/dbraw/zinc/07/53/00/1125075300.db2.gz HLQCISASLILKER-LBPRGKRZSA-N 0 3 273.351 3.945 20 10 CHCDHN COCC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879649006 1125222146 /nfs/dbraw/zinc/22/21/46/1125222146.db2.gz GYXBGOUWGRBJGA-PBHICJAKSA-N 0 3 285.387 3.821 20 10 CHCDHN COc1ccccc1CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649179 1125222842 /nfs/dbraw/zinc/22/28/42/1125222842.db2.gz KYYFCVDNYPTVLH-CQSZACIVSA-N 0 3 285.387 3.684 20 10 CHCDHN Cc1cc(O)c(CN(C)Cc2cccn2C)cc1C(C)C ZINC000128303707 1125260170 /nfs/dbraw/zinc/26/01/70/1125260170.db2.gz UNJQASXQYSFGJL-UHFFFAOYSA-N 0 3 286.419 3.795 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)nc1 ZINC000760170168 1125285962 /nfs/dbraw/zinc/28/59/62/1125285962.db2.gz INWCJHIKSFEFIP-LLVKDONJSA-N 0 3 288.778 3.521 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)C[C@H](C)CC)c1[O-] ZINC000211699655 1125321872 /nfs/dbraw/zinc/32/18/72/1125321872.db2.gz ORVSWKKKBWRQAH-CYBMUJFWSA-N 0 3 265.397 3.659 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)C[C@H](C)CC)c1[O-] ZINC000211699655 1125321874 /nfs/dbraw/zinc/32/18/74/1125321874.db2.gz ORVSWKKKBWRQAH-CYBMUJFWSA-N 0 3 265.397 3.659 20 10 CHCDHN CO[C@H]1C[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000883263208 1125387815 /nfs/dbraw/zinc/38/78/15/1125387815.db2.gz LQPOMYLLGBIRAT-PPUGGXLSSA-N 0 3 297.398 3.574 20 10 CHCDHN C[C@H](Cc1cccs1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295974599 1129220393 /nfs/dbraw/zinc/22/03/93/1129220393.db2.gz MVIULIGRMYTHOM-BXUZGUMPSA-N 0 3 273.401 3.662 20 10 CHCDHN COc1ccccc1[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296095490 1129221091 /nfs/dbraw/zinc/22/10/91/1129221091.db2.gz UCKQXESTYMORDI-WFASDCNBSA-N 0 3 283.371 3.739 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)c([O-])c1 ZINC000184910163 1129261416 /nfs/dbraw/zinc/26/14/16/1129261416.db2.gz KDGWKPXRPNOHAQ-ZDUSSCGKSA-N 0 3 273.351 3.999 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1ccccc1[O-] ZINC000037763987 1129267078 /nfs/dbraw/zinc/26/70/78/1129267078.db2.gz UFCAIHTZFSGTDN-NWDGAFQWSA-N 0 3 259.324 3.943 20 10 CHCDHN CC[C@@H](COC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000738438766 1129394249 /nfs/dbraw/zinc/39/42/49/1129394249.db2.gz CQZQHUSQGLRKJM-KRWDZBQOSA-N 0 3 285.387 3.574 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C12CCCC2 ZINC000248388103 1129416099 /nfs/dbraw/zinc/41/60/99/1129416099.db2.gz QKQSUIJRXQZVQO-KBRIMQKVSA-N 0 3 289.419 3.781 20 10 CHCDHN CC[C@H](C)[C@@H](C)[N@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000093132210 1129417863 /nfs/dbraw/zinc/41/78/63/1129417863.db2.gz DDCVSRMFIRZMLL-QWHCGFSZSA-N 0 3 277.408 3.800 20 10 CHCDHN CC[C@H](C)[C@@H](C)[N@@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000093132210 1129417865 /nfs/dbraw/zinc/41/78/65/1129417865.db2.gz DDCVSRMFIRZMLL-QWHCGFSZSA-N 0 3 277.408 3.800 20 10 CHCDHN C[C@H]([NH2+]CCSc1ccccc1)c1cc(F)ccc1[O-] ZINC000094617725 1129448214 /nfs/dbraw/zinc/44/82/14/1129448214.db2.gz KTHIXBSIEUTIKP-LBPRGKRZSA-N 0 3 291.391 3.974 20 10 CHCDHN CCSCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000741785546 1129452997 /nfs/dbraw/zinc/45/29/97/1129452997.db2.gz RJUCOBPZVHXVMY-UHFFFAOYSA-N 0 3 279.449 3.890 20 10 CHCDHN CCSCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000741785546 1129452998 /nfs/dbraw/zinc/45/29/98/1129452998.db2.gz RJUCOBPZVHXVMY-UHFFFAOYSA-N 0 3 279.449 3.890 20 10 CHCDHN Cc1cc(O)c(CNCc2c(C)cccc2F)cc1C ZINC000742380362 1129473271 /nfs/dbraw/zinc/47/32/71/1129473271.db2.gz CUARLDFOGCGHSY-UHFFFAOYSA-N 0 3 273.351 3.746 20 10 CHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000743396699 1129521733 /nfs/dbraw/zinc/52/17/33/1129521733.db2.gz BSKVFQFTCWYBHO-CQSZACIVSA-N 0 3 287.428 3.873 20 10 CHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000743396699 1129521736 /nfs/dbraw/zinc/52/17/36/1129521736.db2.gz BSKVFQFTCWYBHO-CQSZACIVSA-N 0 3 287.428 3.873 20 10 CHCDHN CCC[N@H+](Cc1cccc(N(C)C)c1)Cc1ccccc1[O-] ZINC000743870297 1129542151 /nfs/dbraw/zinc/54/21/51/1129542151.db2.gz PADPOCBTNSCQRL-UHFFFAOYSA-N 0 3 298.430 3.870 20 10 CHCDHN CCC[N@@H+](Cc1cccc(N(C)C)c1)Cc1ccccc1[O-] ZINC000743870297 1129542153 /nfs/dbraw/zinc/54/21/53/1129542153.db2.gz PADPOCBTNSCQRL-UHFFFAOYSA-N 0 3 298.430 3.870 20 10 CHCDHN CCCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096970938 1129580002 /nfs/dbraw/zinc/58/00/02/1129580002.db2.gz BROSFEQACDGUDD-MRXNPFEDSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096970938 1129580005 /nfs/dbraw/zinc/58/00/05/1129580005.db2.gz BROSFEQACDGUDD-MRXNPFEDSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096970937 1129580461 /nfs/dbraw/zinc/58/04/61/1129580461.db2.gz BROSFEQACDGUDD-INIZCTEOSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096970937 1129580464 /nfs/dbraw/zinc/58/04/64/1129580464.db2.gz BROSFEQACDGUDD-INIZCTEOSA-N 0 3 277.408 3.563 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1[O-] ZINC000252841181 1129598988 /nfs/dbraw/zinc/59/89/88/1129598988.db2.gz DBHQOHCKZFQTJF-WDEREUQCSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1[O-] ZINC000252841181 1129598991 /nfs/dbraw/zinc/59/89/91/1129598991.db2.gz DBHQOHCKZFQTJF-WDEREUQCSA-N 0 3 283.799 3.675 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000766330130 1129602871 /nfs/dbraw/zinc/60/28/71/1129602871.db2.gz GXLLEPALNBYOGR-RRQGHBQHSA-N 0 3 291.435 3.943 20 10 CHCDHN C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccccc1[O-] ZINC000828655695 1131394579 /nfs/dbraw/zinc/39/45/79/1131394579.db2.gz GJTYXPGTSYWAQQ-JOYOIKCWSA-N 0 3 274.191 3.627 20 10 CHCDHN CC/C=C/CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000767325851 1129786482 /nfs/dbraw/zinc/78/64/82/1129786482.db2.gz XYCLZMNLCPGVFO-REMYHPOOSA-N 0 3 289.419 3.730 20 10 CHCDHN CC/C=C/CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000767325851 1129786485 /nfs/dbraw/zinc/78/64/85/1129786485.db2.gz XYCLZMNLCPGVFO-REMYHPOOSA-N 0 3 289.419 3.730 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000381322873 1129837767 /nfs/dbraw/zinc/83/77/67/1129837767.db2.gz GLHXQOAXZUCJOW-GHMZBOCLSA-N 0 3 255.308 3.539 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000768192861 1129842815 /nfs/dbraw/zinc/84/28/15/1129842815.db2.gz GBYFGFWHZLNCDH-KRWDZBQOSA-N 0 3 297.398 3.910 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000768192861 1129842819 /nfs/dbraw/zinc/84/28/19/1129842819.db2.gz GBYFGFWHZLNCDH-KRWDZBQOSA-N 0 3 297.398 3.910 20 10 CHCDHN Cc1ncccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000768258873 1129846712 /nfs/dbraw/zinc/84/67/12/1129846712.db2.gz XYOXURMCIQIZHG-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN CCC1CCC([N@H+](C)Cc2c([O-])cccc2OC)CC1 ZINC000768263486 1129849286 /nfs/dbraw/zinc/84/92/86/1129849286.db2.gz RWPTVDLKOCRSHG-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC1CCC([N@@H+](C)Cc2c([O-])cccc2OC)CC1 ZINC000768263486 1129849291 /nfs/dbraw/zinc/84/92/91/1129849291.db2.gz RWPTVDLKOCRSHG-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)C)c([O-])c1 ZINC000768316322 1129851727 /nfs/dbraw/zinc/85/17/27/1129851727.db2.gz CLIHFDJFPZJKRU-OAHLLOKOSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CC(C)C)c([O-])c1 ZINC000768316322 1129851730 /nfs/dbraw/zinc/85/17/30/1129851730.db2.gz CLIHFDJFPZJKRU-OAHLLOKOSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC000768353930 1129853895 /nfs/dbraw/zinc/85/38/95/1129853895.db2.gz CKGDMHJSKWMCHR-QGZVFWFLSA-N 0 3 298.386 3.523 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC000768353930 1129853901 /nfs/dbraw/zinc/85/39/01/1129853901.db2.gz CKGDMHJSKWMCHR-QGZVFWFLSA-N 0 3 298.386 3.523 20 10 CHCDHN C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000768534616 1129861099 /nfs/dbraw/zinc/86/10/99/1129861099.db2.gz GWVMHQPBYSMHBU-LJQANCHMSA-N 0 3 281.399 3.989 20 10 CHCDHN C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1[O-] ZINC000768534616 1129861102 /nfs/dbraw/zinc/86/11/02/1129861102.db2.gz GWVMHQPBYSMHBU-LJQANCHMSA-N 0 3 281.399 3.989 20 10 CHCDHN C[C@@H]1c2ccccc2OCCN1Cc1ccc(N(C)C)cc1 ZINC000768930788 1129882562 /nfs/dbraw/zinc/88/25/62/1129882562.db2.gz PKDYKUPFTBTIKI-OAHLLOKOSA-N 0 3 296.414 3.708 20 10 CHCDHN COc1cccc(CN2CC(C)(C)[C@H]2c2ccccc2)c1O ZINC000769085595 1129890759 /nfs/dbraw/zinc/89/07/59/1129890759.db2.gz KPHJHUZPIPNBNV-GOSISDBHSA-N 0 3 297.398 3.984 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000769234906 1129897270 /nfs/dbraw/zinc/89/72/70/1129897270.db2.gz YSBXMZNBCFHIEU-HNNXBMFYSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000769234906 1129897275 /nfs/dbraw/zinc/89/72/75/1129897275.db2.gz YSBXMZNBCFHIEU-HNNXBMFYSA-N 0 3 297.398 3.699 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC000769349706 1129903430 /nfs/dbraw/zinc/90/34/30/1129903430.db2.gz DIAISQYTJXGGGL-AWEZNQCLSA-N 0 3 297.398 3.910 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC000769349706 1129903431 /nfs/dbraw/zinc/90/34/31/1129903431.db2.gz DIAISQYTJXGGGL-AWEZNQCLSA-N 0 3 297.398 3.910 20 10 CHCDHN CCS[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769403202 1129905933 /nfs/dbraw/zinc/90/59/33/1129905933.db2.gz GLVDMUUSJUVJIJ-CYBMUJFWSA-N 0 3 295.448 3.508 20 10 CHCDHN CCS[C@@H]1CCCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769403202 1129905934 /nfs/dbraw/zinc/90/59/34/1129905934.db2.gz GLVDMUUSJUVJIJ-CYBMUJFWSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000769403306 1129906761 /nfs/dbraw/zinc/90/67/61/1129906761.db2.gz BUHGTQJVKLJULG-JKIFEVAISA-N 0 3 289.419 3.944 20 10 CHCDHN CCOc1ccc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000769403306 1129906763 /nfs/dbraw/zinc/90/67/63/1129906763.db2.gz BUHGTQJVKLJULG-JKIFEVAISA-N 0 3 289.419 3.944 20 10 CHCDHN CCCC[N@H+](Cc1cccc(C)n1)Cc1ccccc1[O-] ZINC000801596763 1129931703 /nfs/dbraw/zinc/93/17/03/1129931703.db2.gz NSUVWKPHFMTSIE-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@@H+](Cc1cccc(C)n1)Cc1ccccc1[O-] ZINC000801596763 1129931705 /nfs/dbraw/zinc/93/17/05/1129931705.db2.gz NSUVWKPHFMTSIE-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN Cc1ccccc1[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000770511071 1129948908 /nfs/dbraw/zinc/94/89/08/1129948908.db2.gz YNEAYWPJKHTKAJ-HNNXBMFYSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770511071 1129948910 /nfs/dbraw/zinc/94/89/10/1129948910.db2.gz YNEAYWPJKHTKAJ-HNNXBMFYSA-N 0 3 267.372 3.690 20 10 CHCDHN COc1ccc(CN[C@H](C)c2cnccc2C)cc1C ZINC000770750309 1129958690 /nfs/dbraw/zinc/95/86/90/1129958690.db2.gz MQYJTLLHKWNDHI-CQSZACIVSA-N 0 3 270.376 3.558 20 10 CHCDHN C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000802309699 1129991547 /nfs/dbraw/zinc/99/15/47/1129991547.db2.gz UERMYHJGAGWOSP-MGPQQGTHSA-N 0 3 277.408 3.637 20 10 CHCDHN CN(C)c1ccc(CN(C)Cc2ccccc2)cc1F ZINC000771929104 1129995146 /nfs/dbraw/zinc/99/51/46/1129995146.db2.gz SKTVOYPUKCCHEO-UHFFFAOYSA-N 0 3 272.367 3.524 20 10 CHCDHN CC[C@@]1(C)CN(Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000785512782 1130037537 /nfs/dbraw/zinc/03/75/37/1130037537.db2.gz UKTJXCXAJATXFN-SFHVURJKSA-N 0 3 291.435 3.825 20 10 CHCDHN CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000785978260 1130070905 /nfs/dbraw/zinc/07/09/05/1130070905.db2.gz SNTRQCPGVUVARL-GOEBONIOSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000785978260 1130070909 /nfs/dbraw/zinc/07/09/09/1130070909.db2.gz SNTRQCPGVUVARL-GOEBONIOSA-N 0 3 259.393 3.816 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)CCO2 ZINC000903238762 1130134122 /nfs/dbraw/zinc/13/41/22/1130134122.db2.gz WIVAXSWWDPXOAY-OLZOCXBDSA-N 0 3 283.371 3.739 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)C2CCOCC2)c([O-])c1 ZINC000903244620 1130135262 /nfs/dbraw/zinc/13/52/62/1130135262.db2.gz ZYIVVOYFGURBAH-AWEZNQCLSA-N 0 3 291.435 3.804 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cc(F)ccc1[O-] ZINC000903335405 1130160757 /nfs/dbraw/zinc/16/07/57/1130160757.db2.gz OTKCLGUPCIYOIV-APPDUMDISA-N 0 3 286.350 3.728 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)CC2 ZINC000903427472 1130175974 /nfs/dbraw/zinc/17/59/74/1130175974.db2.gz GMCJOCAICSEJEC-YJBOKZPZSA-N 0 3 280.371 3.515 20 10 CHCDHN Cc1cc(C)c([C@@H](C)NCc2cccc(C)n2)c(O)c1 ZINC000788557958 1130194849 /nfs/dbraw/zinc/19/48/49/1130194849.db2.gz RUXCEYGDTFUKQS-CQSZACIVSA-N 0 3 270.376 3.563 20 10 CHCDHN CCc1cccc(Cl)c1C[NH2+]Cc1ccccc1[O-] ZINC000788959725 1130220404 /nfs/dbraw/zinc/22/04/04/1130220404.db2.gz ANMXDJYJPHTBGP-UHFFFAOYSA-N 0 3 275.779 3.898 20 10 CHCDHN C[C@@H](CC[N@H+](C)Cc1ccccc1[O-])OCc1ccccc1 ZINC000789348821 1130242913 /nfs/dbraw/zinc/24/29/13/1130242913.db2.gz REVBUVQUWVBABC-INIZCTEOSA-N 0 3 299.414 3.819 20 10 CHCDHN C[C@@H](CC[N@@H+](C)Cc1ccccc1[O-])OCc1ccccc1 ZINC000789348821 1130242917 /nfs/dbraw/zinc/24/29/17/1130242917.db2.gz REVBUVQUWVBABC-INIZCTEOSA-N 0 3 299.414 3.819 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CC[C@]2(C)CC2(F)F)c1[O-] ZINC000827251411 1130529779 /nfs/dbraw/zinc/52/97/79/1130529779.db2.gz HJTNRXTVJGBOET-CYBMUJFWSA-N 0 3 289.753 3.879 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccc(C)c(Cl)c2)c([O-])c1 ZINC000793386000 1130551504 /nfs/dbraw/zinc/55/15/04/1130551504.db2.gz FXGJQFZKVSJOKR-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)CCc2ccsc2)c([O-])c1 ZINC000793388463 1130552044 /nfs/dbraw/zinc/55/20/44/1130552044.db2.gz OMJOYJOFKPIEEV-GFCCVEGCSA-N 0 3 291.416 3.573 20 10 CHCDHN [O-]c1c(C[NH+]2CC3(CSC3)C2)cccc1-c1ccccc1 ZINC001234998684 1130700637 /nfs/dbraw/zinc/70/06/37/1130700637.db2.gz MPRGZAVQNYVXHZ-UHFFFAOYSA-N 0 3 297.423 3.608 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCCOC(C)(C)C2)c([O-])c1 ZINC001235685573 1130768830 /nfs/dbraw/zinc/76/88/30/1130768830.db2.gz RARPFFUFWRTUBQ-UHFFFAOYSA-N 0 3 291.435 3.691 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CCCOC(C)(C)C2)c([O-])c1 ZINC001235685573 1130768835 /nfs/dbraw/zinc/76/88/35/1130768835.db2.gz RARPFFUFWRTUBQ-UHFFFAOYSA-N 0 3 291.435 3.691 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c([O-])c1 ZINC001235684735 1130768958 /nfs/dbraw/zinc/76/89/58/1130768958.db2.gz IYQNOCCZFUYFRQ-ZDUSSCGKSA-N 0 3 279.399 3.871 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CF)C2)c([O-])c1 ZINC001235684735 1130768963 /nfs/dbraw/zinc/76/89/63/1130768963.db2.gz IYQNOCCZFUYFRQ-ZDUSSCGKSA-N 0 3 279.399 3.871 20 10 CHCDHN CCOc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1F ZINC001235804876 1130781456 /nfs/dbraw/zinc/78/14/56/1130781456.db2.gz DYUHCWZHCDUEKN-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CCOc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1F ZINC001235804876 1130781462 /nfs/dbraw/zinc/78/14/62/1130781462.db2.gz DYUHCWZHCDUEKN-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CN(C)c1ccc(CNC(C)(C)c2ccccc2F)cc1 ZINC000813792847 1130784815 /nfs/dbraw/zinc/78/48/15/1130784815.db2.gz XNRKQELKNFKVAI-UHFFFAOYSA-N 0 3 286.394 3.917 20 10 CHCDHN C[N@@H+](CCCc1ccsc1)Cc1ccccc1[O-] ZINC000782949842 1130792141 /nfs/dbraw/zinc/79/21/41/1130792141.db2.gz NYVDVMHUZAAVGB-UHFFFAOYSA-N 0 3 261.390 3.518 20 10 CHCDHN C[N@H+](CCCc1ccsc1)Cc1ccccc1[O-] ZINC000782949842 1130792139 /nfs/dbraw/zinc/79/21/39/1130792139.db2.gz NYVDVMHUZAAVGB-UHFFFAOYSA-N 0 3 261.390 3.518 20 10 CHCDHN C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783503529 1130831019 /nfs/dbraw/zinc/83/10/19/1130831019.db2.gz FKVLOGOWRSITBB-STQMWFEESA-N 0 3 289.350 3.649 20 10 CHCDHN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccccc1O ZINC000783505783 1130831056 /nfs/dbraw/zinc/83/10/56/1130831056.db2.gz XJIHRHBKAQPLPK-HUBLWGQQSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccccc1[O-] ZINC000783505783 1130831066 /nfs/dbraw/zinc/83/10/66/1130831066.db2.gz XJIHRHBKAQPLPK-HUBLWGQQSA-N 0 3 271.360 3.959 20 10 CHCDHN CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])CC(C)C ZINC000783500520 1130831238 /nfs/dbraw/zinc/83/12/38/1130831238.db2.gz WOXDURGVLCKMOU-JKSUJKDBSA-N 0 3 292.467 3.799 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000783515986 1130832122 /nfs/dbraw/zinc/83/21/22/1130832122.db2.gz AHIPACQAKYBJRD-PJHJGJPPSA-N 0 3 297.398 3.996 20 10 CHCDHN CCC1(CC)[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@H]1OC ZINC000783518664 1130833785 /nfs/dbraw/zinc/83/37/85/1130833785.db2.gz NKBBZSUPYLATIM-APHBMKBZSA-N 0 3 277.408 3.637 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000814169203 1130838245 /nfs/dbraw/zinc/83/82/45/1130838245.db2.gz FEEDXJJPFCSHFU-NSHDSACASA-N 0 3 287.325 3.837 20 10 CHCDHN CCN(Cc1cc(Cl)cc(C)n1)Cc1ccccc1O ZINC001236648980 1130988831 /nfs/dbraw/zinc/98/88/31/1130988831.db2.gz XVIVBYFZRHQFOV-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CCC(CC)(CCO)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000815586011 1131003392 /nfs/dbraw/zinc/00/33/92/1131003392.db2.gz XMYFAXIDBDRKFY-OAHLLOKOSA-N 0 3 293.451 3.848 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001236784594 1131007724 /nfs/dbraw/zinc/00/77/24/1131007724.db2.gz XBIMFJHCTKZDIC-LBPRGKRZSA-N 0 3 283.362 3.822 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001236784594 1131007728 /nfs/dbraw/zinc/00/77/28/1131007728.db2.gz XBIMFJHCTKZDIC-LBPRGKRZSA-N 0 3 283.362 3.822 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC001236808421 1131010476 /nfs/dbraw/zinc/01/04/76/1131010476.db2.gz PHWPBLZZCYKVMW-OCCSQVGLSA-N 0 3 277.408 3.577 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC001236808421 1131010480 /nfs/dbraw/zinc/01/04/80/1131010480.db2.gz PHWPBLZZCYKVMW-OCCSQVGLSA-N 0 3 277.408 3.577 20 10 CHCDHN Cc1ccoc1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000815628979 1131012093 /nfs/dbraw/zinc/01/20/93/1131012093.db2.gz PKURZSQKVPVCFA-CYBMUJFWSA-N 0 3 259.349 3.761 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC001236812034 1131012968 /nfs/dbraw/zinc/01/29/68/1131012968.db2.gz YIASWGRKULCJKY-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC001236812034 1131012973 /nfs/dbraw/zinc/01/29/73/1131012973.db2.gz YIASWGRKULCJKY-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001236828080 1131017230 /nfs/dbraw/zinc/01/72/30/1131017230.db2.gz ZSQDKUSRMUIAKK-KUHUBIRLSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001236828080 1131017237 /nfs/dbraw/zinc/01/72/37/1131017237.db2.gz ZSQDKUSRMUIAKK-KUHUBIRLSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001236828077 1131017604 /nfs/dbraw/zinc/01/76/04/1131017604.db2.gz ZSQDKUSRMUIAKK-AUUYWEPGSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001236828077 1131017610 /nfs/dbraw/zinc/01/76/10/1131017610.db2.gz ZSQDKUSRMUIAKK-AUUYWEPGSA-N 0 3 297.398 3.546 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(C)(C)O ZINC000815651725 1131018017 /nfs/dbraw/zinc/01/80/17/1131018017.db2.gz BIVDRHYQIRHYRX-MFKMUULPSA-N 0 3 285.815 3.554 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001236832638 1131018826 /nfs/dbraw/zinc/01/88/26/1131018826.db2.gz JPVYHKGZDHRKOA-IBGZPJMESA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001236832638 1131018832 /nfs/dbraw/zinc/01/88/32/1131018832.db2.gz JPVYHKGZDHRKOA-IBGZPJMESA-N 0 3 297.398 3.548 20 10 CHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@@H]1CCCCO1 ZINC001236834576 1131019497 /nfs/dbraw/zinc/01/94/97/1131019497.db2.gz AGEHFLKODBENEZ-KRWDZBQOSA-N 0 3 285.387 3.546 20 10 CHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C[C@@H]1CCCCO1 ZINC001236834576 1131019500 /nfs/dbraw/zinc/01/95/00/1131019500.db2.gz AGEHFLKODBENEZ-KRWDZBQOSA-N 0 3 285.387 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC(CF)CC1 ZINC001236841618 1131021522 /nfs/dbraw/zinc/02/15/22/1131021522.db2.gz MEPAQQKADDTZHK-UHFFFAOYSA-N 0 3 273.351 3.727 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC001237050000 1131039291 /nfs/dbraw/zinc/03/92/91/1131039291.db2.gz VJOMOGJUEMARRJ-OKILXGFUSA-N 0 3 261.409 3.994 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC001237050000 1131039296 /nfs/dbraw/zinc/03/92/96/1131039296.db2.gz VJOMOGJUEMARRJ-OKILXGFUSA-N 0 3 261.409 3.994 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CCC(C)(F)CC2)c([O-])c1 ZINC001237046724 1131039475 /nfs/dbraw/zinc/03/94/75/1131039475.db2.gz WMRZQTSJZKORKR-UHFFFAOYSA-N 0 3 265.372 3.840 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CCC3(CCOC3)CC2)c([O-])c1 ZINC001237046944 1131040776 /nfs/dbraw/zinc/04/07/76/1131040776.db2.gz XHASJISHMJWALS-UHFFFAOYSA-N 0 3 289.419 3.518 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC001237049955 1131040976 /nfs/dbraw/zinc/04/09/76/1131040976.db2.gz UWKZSINHJZQQPM-GASCZTMLSA-N 0 3 259.393 3.603 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC001237049955 1131040980 /nfs/dbraw/zinc/04/09/80/1131040980.db2.gz UWKZSINHJZQQPM-GASCZTMLSA-N 0 3 259.393 3.603 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c([O-])c1 ZINC001237050108 1131041134 /nfs/dbraw/zinc/04/11/34/1131041134.db2.gz YHAGSYULIPBAHT-CQSZACIVSA-N 0 3 283.362 3.993 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c([O-])c1 ZINC001237050108 1131041138 /nfs/dbraw/zinc/04/11/38/1131041138.db2.gz YHAGSYULIPBAHT-CQSZACIVSA-N 0 3 283.362 3.993 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001237138275 1131055875 /nfs/dbraw/zinc/05/58/75/1131055875.db2.gz WMTCGCOYPLAILY-QWRGUYRKSA-N 0 3 285.309 3.643 20 10 CHCDHN [O-]c1ccc(F)c(Cl)c1C[NH+]1CC2(C1)CCCC2 ZINC001237124304 1131056220 /nfs/dbraw/zinc/05/62/20/1131056220.db2.gz NQJWKOBGMJDGKT-UHFFFAOYSA-N 0 3 269.747 3.561 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001237488420 1131103468 /nfs/dbraw/zinc/10/34/68/1131103468.db2.gz XEKDFCDBZCNCBE-CABCVRRESA-N 0 3 259.393 3.713 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001237488420 1131103475 /nfs/dbraw/zinc/10/34/75/1131103475.db2.gz XEKDFCDBZCNCBE-CABCVRRESA-N 0 3 259.393 3.713 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001237484326 1131104039 /nfs/dbraw/zinc/10/40/39/1131104039.db2.gz BOIGRVICZYHWAY-INIZCTEOSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001237484326 1131104040 /nfs/dbraw/zinc/10/40/40/1131104040.db2.gz BOIGRVICZYHWAY-INIZCTEOSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001237489610 1131104949 /nfs/dbraw/zinc/10/49/49/1131104949.db2.gz CFHWXYAJILBCOM-UHFFFAOYSA-N 0 3 297.398 3.786 20 10 CHCDHN COc1cccc([C@@H]2CC[N@H+](Cc3c(C)cccc3[O-])C2)c1 ZINC001237490804 1131105142 /nfs/dbraw/zinc/10/51/42/1131105142.db2.gz BKUSCABGFWOIDS-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cccc([C@@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C2)c1 ZINC001237490804 1131105143 /nfs/dbraw/zinc/10/51/43/1131105143.db2.gz BKUSCABGFWOIDS-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCCC1 ZINC001237641722 1131123837 /nfs/dbraw/zinc/12/38/37/1131123837.db2.gz WHBHTAFJDGPNLP-UHFFFAOYSA-N 0 3 271.335 3.794 20 10 CHCDHN Cc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)C2)c1O ZINC001237685478 1131126925 /nfs/dbraw/zinc/12/69/25/1131126925.db2.gz DAYLICVPQPWCBO-JTQLQIEISA-N 0 3 293.716 3.738 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001237680450 1131126937 /nfs/dbraw/zinc/12/69/37/1131126937.db2.gz SHSXDIZWBBZBBM-TXEJJXNPSA-N 0 3 265.784 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001237680450 1131126940 /nfs/dbraw/zinc/12/69/40/1131126940.db2.gz SHSXDIZWBBZBBM-TXEJJXNPSA-N 0 3 265.784 3.586 20 10 CHCDHN CCCOC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237686243 1131127336 /nfs/dbraw/zinc/12/73/36/1131127336.db2.gz HCQXQMZFJBYFAR-UHFFFAOYSA-N 0 3 297.826 3.745 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccccc1[O-] ZINC000817411366 1131160687 /nfs/dbraw/zinc/16/06/87/1131160687.db2.gz QMKHAAAPJBQRQB-ZFWWWQNUSA-N 0 3 291.460 3.966 20 10 CHCDHN Cc1cc(F)cc(CN(C)Cc2ccc(F)cc2)c1O ZINC001238057811 1131164673 /nfs/dbraw/zinc/16/46/73/1131164673.db2.gz NSYJLQIHBFLGFJ-UHFFFAOYSA-N 0 3 277.314 3.611 20 10 CHCDHN CCCC1CC[NH+](Cc2cc(F)cc(C)c2[O-])CC1 ZINC001238061954 1131167138 /nfs/dbraw/zinc/16/71/38/1131167138.db2.gz MSSQNGJJMLXDFH-UHFFFAOYSA-N 0 3 265.372 3.852 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1[O-] ZINC001238062394 1131167210 /nfs/dbraw/zinc/16/72/10/1131167210.db2.gz PNONNUMUZBVPTL-CJNGLKHVSA-N 0 3 277.383 3.994 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1[O-] ZINC001238062394 1131167213 /nfs/dbraw/zinc/16/72/13/1131167213.db2.gz PNONNUMUZBVPTL-CJNGLKHVSA-N 0 3 277.383 3.994 20 10 CHCDHN Cc1cc(F)cc(CN2CC[C@H]2c2ccccc2)c1O ZINC001238071029 1131168058 /nfs/dbraw/zinc/16/80/58/1131168058.db2.gz QYYNJUWFHATRGQ-INIZCTEOSA-N 0 3 271.335 3.787 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccccc1[O-] ZINC000817975929 1131193797 /nfs/dbraw/zinc/19/37/97/1131193797.db2.gz QWIUFNXQOOEQHC-CYBMUJFWSA-N 0 3 282.387 3.601 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc3c(c1)CCCN3)CC2 ZINC000817978154 1131195680 /nfs/dbraw/zinc/19/56/80/1131195680.db2.gz XJDPPTGSZNWZLH-QGZVFWFLSA-N 0 3 294.398 3.527 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170893784 1131206834 /nfs/dbraw/zinc/20/68/34/1131206834.db2.gz NNAPSFQPUYUENX-AWEZNQCLSA-N 0 3 287.790 3.693 20 10 CHCDHN COc1cc(C)ccc1CNCc1ccc(N(C)C)cc1C ZINC000823850358 1131444412 /nfs/dbraw/zinc/44/44/12/1131444412.db2.gz AAEXZJDBYDHEKY-UHFFFAOYSA-N 0 3 298.430 3.668 20 10 CHCDHN Cc1cc(N(C)C)ccc1CNCc1cccc(C)c1F ZINC000823850444 1131444569 /nfs/dbraw/zinc/44/45/69/1131444569.db2.gz CXYKXQAGJULGGB-UHFFFAOYSA-N 0 3 286.394 3.798 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000824468053 1131471402 /nfs/dbraw/zinc/47/14/02/1131471402.db2.gz BENPETWMHNXAGU-INIZCTEOSA-N 0 3 271.335 3.699 20 10 CHCDHN C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000824716149 1131480792 /nfs/dbraw/zinc/48/07/92/1131480792.db2.gz SHSSECGJKNTKDH-GXSJLCMTSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000824716149 1131480794 /nfs/dbraw/zinc/48/07/94/1131480794.db2.gz SHSSECGJKNTKDH-GXSJLCMTSA-N 0 3 291.288 3.694 20 10 CHCDHN CN1CCCc2cc(CN3CCCC[C@@](C)(F)C3)ccc21 ZINC001138354671 1131493626 /nfs/dbraw/zinc/49/36/26/1131493626.db2.gz POFCKUFIKLUOQS-GOSISDBHSA-N 0 3 290.426 3.783 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccccc1[O-] ZINC000844924557 1131608407 /nfs/dbraw/zinc/60/84/07/1131608407.db2.gz LXAIIQXBMWQGMY-GDBMZVCRSA-N 0 3 296.414 3.860 20 10 CHCDHN Cc1ccc(C)c(CN2CCO[C@H](c3ccccc3)C2)c1O ZINC001140181657 1131673276 /nfs/dbraw/zinc/67/32/76/1131673276.db2.gz DVILAVAMDADMRB-SFHVURJKSA-N 0 3 297.398 3.583 20 10 CHCDHN Cc1cc([C@@H](C)NCc2ccc3c(c2)CCO3)cs1 ZINC000834554488 1131683615 /nfs/dbraw/zinc/68/36/15/1131683615.db2.gz BOBMUQNKAZYPBA-GFCCVEGCSA-N 0 3 273.401 3.842 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCc3ccccc31)CC2 ZINC000834578535 1131684849 /nfs/dbraw/zinc/68/48/49/1131684849.db2.gz UCXVYKPBYHLKJV-NVXWUHKLSA-N 0 3 279.383 3.699 20 10 CHCDHN CC(C)OC1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834689053 1131694390 /nfs/dbraw/zinc/69/43/90/1131694390.db2.gz IOEUWEPHXKLYSG-GPANFISMSA-N 0 3 289.419 3.705 20 10 CHCDHN CCc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000846208724 1131695658 /nfs/dbraw/zinc/69/56/58/1131695658.db2.gz KASQHXDDMVQOCM-GFCCVEGCSA-N 0 3 273.351 3.945 20 10 CHCDHN CCC[C@H](C)[C@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000846183994 1131697201 /nfs/dbraw/zinc/69/72/01/1131697201.db2.gz LLPPMKUDFJFFQF-IMJJTQAJSA-N 0 3 279.424 3.538 20 10 CHCDHN C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cc(F)ccc1[O-] ZINC000846185228 1131697896 /nfs/dbraw/zinc/69/78/96/1131697896.db2.gz RESCNIYONLGIMF-FZZIBODNSA-N 0 3 289.753 3.887 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(Cc3ccccc3)CC1)CC2 ZINC000834770783 1131704595 /nfs/dbraw/zinc/70/45/95/1131704595.db2.gz XZSSACZJDTWEEQ-MRXNPFEDSA-N 0 3 279.383 3.744 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCC2CCOCC2)c([O-])c1 ZINC000834817906 1131707735 /nfs/dbraw/zinc/70/77/35/1131707735.db2.gz FJHXFMPYKYNMBR-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CCCCO)c1[O-] ZINC000834876322 1131716188 /nfs/dbraw/zinc/71/61/88/1131716188.db2.gz AKZPWWOTSYAQKN-RYUDHWBXSA-N 0 3 285.815 3.556 20 10 CHCDHN C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000834884574 1131717570 /nfs/dbraw/zinc/71/75/70/1131717570.db2.gz NQLDLTILOOTYFF-UFBFGSQYSA-N 0 3 292.181 3.766 20 10 CHCDHN C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccccc1[O-] ZINC000834901784 1131724783 /nfs/dbraw/zinc/72/47/83/1131724783.db2.gz CLWQBNFIYVGGHZ-VOMCLLRMSA-N 0 3 285.334 3.593 20 10 CHCDHN CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000834914849 1131733603 /nfs/dbraw/zinc/73/36/03/1131733603.db2.gz WWXIIDDAMAEYNY-FRFSOERESA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CCOC(C)(C)CC)c1ccc(C)cc1[O-] ZINC000834916395 1131734010 /nfs/dbraw/zinc/73/40/10/1131734010.db2.gz XHWNKRBYUHNRDZ-OAHLLOKOSA-N 0 3 279.424 3.947 20 10 CHCDHN Cc1nsc(C)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000846862684 1131745716 /nfs/dbraw/zinc/74/57/16/1131745716.db2.gz WUOSNPPWQIPSKN-LLVKDONJSA-N 0 3 289.448 3.677 20 10 CHCDHN CN(C)c1ccc(/C=C/C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000835024730 1131759892 /nfs/dbraw/zinc/75/98/92/1131759892.db2.gz BVEZSCZGUONWTB-VOTSOKGWSA-N 0 3 296.414 3.603 20 10 CHCDHN CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000835024730 1131759896 /nfs/dbraw/zinc/75/98/96/1131759896.db2.gz BVEZSCZGUONWTB-VOTSOKGWSA-N 0 3 296.414 3.603 20 10 CHCDHN COc1ccccc1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835034013 1131760727 /nfs/dbraw/zinc/76/07/27/1131760727.db2.gz NDDMVFFVMQDFER-SREVYHEPSA-N 0 3 296.414 3.564 20 10 CHCDHN C[C@@H](c1ccncc1)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835046970 1131764051 /nfs/dbraw/zinc/76/40/51/1131764051.db2.gz AZQDGUXOEXAWBV-KJPDOMRESA-N 0 3 295.430 3.854 20 10 CHCDHN Cc1ccc(F)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001140592471 1131814915 /nfs/dbraw/zinc/81/49/15/1131814915.db2.gz NCXKNVVQQWBNNH-UHFFFAOYSA-N 0 3 286.394 3.832 20 10 CHCDHN Cc1ccc(O)c(CN2CCc3ccc(Cl)cc3C2)c1 ZINC001140617284 1131829451 /nfs/dbraw/zinc/82/94/51/1131829451.db2.gz KKWMGCXRJNIFEU-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CC[N@H+](Cc1ccc(F)cc1C)Cc1ccccc1[O-] ZINC001140780515 1131914687 /nfs/dbraw/zinc/91/46/87/1131914687.db2.gz DBIQSFPKNKLENQ-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1ccc(F)cc1C)Cc1ccccc1[O-] ZINC001140780515 1131914690 /nfs/dbraw/zinc/91/46/90/1131914690.db2.gz DBIQSFPKNKLENQ-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN COc1ccccc1[C@H](C)NCc1ccc(N(C)C)c(C)c1 ZINC000773002872 1131916133 /nfs/dbraw/zinc/91/61/33/1131916133.db2.gz ZOELFLLVECMYIX-HNNXBMFYSA-N 0 3 298.430 3.920 20 10 CHCDHN Cc1n[nH]cc1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000773014711 1131920781 /nfs/dbraw/zinc/92/07/81/1131920781.db2.gz KKMVFTWMLRMOCJ-CQSZACIVSA-N 0 3 298.434 3.559 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c([O-])c1 ZINC001140949819 1131969344 /nfs/dbraw/zinc/96/93/44/1131969344.db2.gz MIMLCPGBCAPLGH-KRWDZBQOSA-N 0 3 297.398 3.662 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3C)C2)c([O-])c1 ZINC001140949819 1131969350 /nfs/dbraw/zinc/96/93/50/1131969350.db2.gz MIMLCPGBCAPLGH-KRWDZBQOSA-N 0 3 297.398 3.662 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001140951122 1131971318 /nfs/dbraw/zinc/97/13/18/1131971318.db2.gz ZOSNWXPCVLPRJK-ZBFHGGJFSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001140951122 1131971322 /nfs/dbraw/zinc/97/13/22/1131971322.db2.gz ZOSNWXPCVLPRJK-ZBFHGGJFSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cccc(F)c2)c([O-])c1 ZINC000036778586 1131975048 /nfs/dbraw/zinc/97/50/48/1131975048.db2.gz SUYBTLPGMRMGRV-CYBMUJFWSA-N 0 3 273.351 3.733 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)OCO2 ZINC000036982036 1131985417 /nfs/dbraw/zinc/98/54/17/1131985417.db2.gz MZXIFUIRUKYDSY-NEPJUHHUSA-N 0 3 285.343 3.533 20 10 CHCDHN Oc1ccc(O)c(CN2CCC[C@@H]2c2ccccc2F)c1 ZINC001141159331 1132031399 /nfs/dbraw/zinc/03/13/99/1132031399.db2.gz FDBLPQSCKXJMKL-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN CCc1ccccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001141228787 1132050326 /nfs/dbraw/zinc/05/03/26/1132050326.db2.gz HRVFIPUYWOHFFM-UHFFFAOYSA-N 0 3 297.398 3.609 20 10 CHCDHN CCc1ccccc1C[N@H+](CC)Cc1ccccc1[O-] ZINC001141227802 1132050937 /nfs/dbraw/zinc/05/09/37/1132050937.db2.gz KATGUZKZINUKKY-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN CCc1ccccc1C[N@@H+](CC)Cc1ccccc1[O-] ZINC001141227802 1132050944 /nfs/dbraw/zinc/05/09/44/1132050944.db2.gz KATGUZKZINUKKY-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001172343476 1132177525 /nfs/dbraw/zinc/17/75/25/1132177525.db2.gz QFMXGXDHTJRTLG-MGPQQGTHSA-N 0 3 265.397 3.637 20 10 CHCDHN CCCC[N@H+](CCc1cncs1)Cc1ccccc1[O-] ZINC000839593961 1132225252 /nfs/dbraw/zinc/22/52/52/1132225252.db2.gz NMNPVUGNNBURFC-UHFFFAOYSA-N 0 3 290.432 3.694 20 10 CHCDHN CCCC[N@@H+](CCc1cncs1)Cc1ccccc1[O-] ZINC000839593961 1132225256 /nfs/dbraw/zinc/22/52/56/1132225256.db2.gz NMNPVUGNNBURFC-UHFFFAOYSA-N 0 3 290.432 3.694 20 10 CHCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172554538 1132264954 /nfs/dbraw/zinc/26/49/54/1132264954.db2.gz WZHOBFGCARANBL-ZBFHGGJFSA-N 0 3 283.371 3.524 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCC(C(F)F)CC1)CC2 ZINC000840806553 1132289122 /nfs/dbraw/zinc/28/91/22/1132289122.db2.gz INXGRIRVCFFFCF-WXRRBKDZSA-N 0 3 281.346 3.793 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1OC)c1ccccc1[O-] ZINC000840845488 1132293496 /nfs/dbraw/zinc/29/34/96/1132293496.db2.gz ATCSTBKDOZAYIU-LMMKCTJWSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccccc1[O-] ZINC000840876424 1132299221 /nfs/dbraw/zinc/29/92/21/1132299221.db2.gz MOPNNQVXRRCIBE-OAHLLOKOSA-N 0 3 277.408 3.638 20 10 CHCDHN COC1([C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000840882710 1132303486 /nfs/dbraw/zinc/30/34/86/1132303486.db2.gz ACNGYGJQJAAFHN-MDZLAQPJSA-N 0 3 293.382 3.627 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@H](C)c1ccccn1 ZINC000840936893 1132309515 /nfs/dbraw/zinc/30/95/15/1132309515.db2.gz NNWZHLYSSVZJNS-OAHLLOKOSA-N 0 3 283.419 3.649 20 10 CHCDHN C[N@H+](Cc1ccccn1)Cc1c([O-])ccc2ccccc21 ZINC001231588010 1132318594 /nfs/dbraw/zinc/31/85/94/1132318594.db2.gz LIVZCFMRGNRSAS-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccn1)Cc1c([O-])ccc2ccccc21 ZINC001231588010 1132318602 /nfs/dbraw/zinc/31/86/02/1132318602.db2.gz LIVZCFMRGNRSAS-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC2(CC2)C1 ZINC001231587294 1132319347 /nfs/dbraw/zinc/31/93/47/1132319347.db2.gz TWBGELYLSCYBSP-UHFFFAOYSA-N 0 3 253.345 3.531 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC2(CC2)C1 ZINC001231587294 1132319349 /nfs/dbraw/zinc/31/93/49/1132319349.db2.gz TWBGELYLSCYBSP-UHFFFAOYSA-N 0 3 253.345 3.531 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C2(CC2)C1 ZINC001231591251 1132320784 /nfs/dbraw/zinc/32/07/84/1132320784.db2.gz ZOXNHLOJIUJGHI-ZDUSSCGKSA-N 0 3 267.372 3.920 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C2(CC2)C1 ZINC001231591251 1132320788 /nfs/dbraw/zinc/32/07/88/1132320788.db2.gz ZOXNHLOJIUJGHI-ZDUSSCGKSA-N 0 3 267.372 3.920 20 10 CHCDHN Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC001172835654 1132327017 /nfs/dbraw/zinc/32/70/17/1132327017.db2.gz ONGDMDLTXDGTHJ-WMLDXEAASA-N 0 3 281.399 3.909 20 10 CHCDHN CSc1ccccc1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001231785845 1132361939 /nfs/dbraw/zinc/36/19/39/1132361939.db2.gz JNIJYYIZHPQVGK-UHFFFAOYSA-N 0 3 285.412 3.672 20 10 CHCDHN CSc1ccccc1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001231785845 1132361949 /nfs/dbraw/zinc/36/19/49/1132361949.db2.gz JNIJYYIZHPQVGK-UHFFFAOYSA-N 0 3 285.412 3.672 20 10 CHCDHN Cc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC001231842457 1132376863 /nfs/dbraw/zinc/37/68/63/1132376863.db2.gz MKDSJJPWFXFLNU-ZFWWWQNUSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1cc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC001231842457 1132376872 /nfs/dbraw/zinc/37/68/72/1132376872.db2.gz MKDSJJPWFXFLNU-ZFWWWQNUSA-N 0 3 261.409 3.877 20 10 CHCDHN CCn1cncc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000841843327 1132400317 /nfs/dbraw/zinc/40/03/17/1132400317.db2.gz JGOHELIQCXZGFN-UHFFFAOYSA-N 0 3 299.418 3.553 20 10 CHCDHN CCn1cncc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000841843327 1132400323 /nfs/dbraw/zinc/40/03/23/1132400323.db2.gz JGOHELIQCXZGFN-UHFFFAOYSA-N 0 3 299.418 3.553 20 10 CHCDHN CCSC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001173293986 1132443183 /nfs/dbraw/zinc/44/31/83/1132443183.db2.gz BJYMIFYPBCKPGR-GFCCVEGCSA-N 0 3 275.417 3.777 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(c3ccccc3C)CC2)c([O-])c1 ZINC000842732562 1132455663 /nfs/dbraw/zinc/45/56/63/1132455663.db2.gz MGBHKJVABBLTPZ-UHFFFAOYSA-N 0 3 297.398 3.878 20 10 CHCDHN CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000842915916 1132475732 /nfs/dbraw/zinc/47/57/32/1132475732.db2.gz HWKSZKIMKSSULO-NOLJZWGESA-N 0 3 279.424 3.538 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCS[C@H]2C)c2c1c(F)ccc2[O-] ZINC000842929955 1132477929 /nfs/dbraw/zinc/47/79/29/1132477929.db2.gz RAWMUMAXUZVUIW-DMWPJOQESA-N 0 3 281.396 3.563 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](C)CC(F)F)c1[O-] ZINC000843419577 1132530119 /nfs/dbraw/zinc/53/01/19/1132530119.db2.gz ZBGBDOUOIJSFKV-MRVPVSSYSA-N 0 3 277.742 3.735 20 10 CHCDHN CC(C)[C@H]1COCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233286027 1132595695 /nfs/dbraw/zinc/59/56/95/1132595695.db2.gz BKGGODSSHGYRPZ-MRXNPFEDSA-N 0 3 291.435 3.547 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1[O-] ZINC001233288005 1132597238 /nfs/dbraw/zinc/59/72/38/1132597238.db2.gz RARWCJXRHNXHJH-VXGBXAGGSA-N 0 3 295.810 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1[O-] ZINC001233288005 1132597246 /nfs/dbraw/zinc/59/72/46/1132597246.db2.gz RARWCJXRHNXHJH-VXGBXAGGSA-N 0 3 295.810 3.676 20 10 CHCDHN Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203556913 1133338877 /nfs/dbraw/zinc/33/88/77/1133338877.db2.gz WYIAOMLWQIIESB-GOSISDBHSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203556913 1133338881 /nfs/dbraw/zinc/33/88/81/1133338881.db2.gz WYIAOMLWQIIESB-GOSISDBHSA-N 0 3 297.398 3.744 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001203550187 1133339450 /nfs/dbraw/zinc/33/94/50/1133339450.db2.gz KVCRBPHNYYIAHZ-UHFFFAOYSA-N 0 3 293.410 3.872 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001203555688 1133339585 /nfs/dbraw/zinc/33/95/85/1133339585.db2.gz BVUFCMWTOJVRAE-UHFFFAOYSA-N 0 3 297.398 3.573 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001203555688 1133339590 /nfs/dbraw/zinc/33/95/90/1133339590.db2.gz BVUFCMWTOJVRAE-UHFFFAOYSA-N 0 3 297.398 3.573 20 10 CHCDHN CC[N@H+](Cc1cccc(F)c1)Cc1ccccc1[O-] ZINC001203558328 1133340449 /nfs/dbraw/zinc/34/04/49/1133340449.db2.gz FIXYVGNJRROYBV-UHFFFAOYSA-N 0 3 259.324 3.553 20 10 CHCDHN CC[N@@H+](Cc1cccc(F)c1)Cc1ccccc1[O-] ZINC001203558328 1133340454 /nfs/dbraw/zinc/34/04/54/1133340454.db2.gz FIXYVGNJRROYBV-UHFFFAOYSA-N 0 3 259.324 3.553 20 10 CHCDHN COc1cccc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC001203561373 1133340534 /nfs/dbraw/zinc/34/05/34/1133340534.db2.gz SYASYSHNJNCPQC-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1cccc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC001203561373 1133340541 /nfs/dbraw/zinc/34/05/41/1133340541.db2.gz SYASYSHNJNCPQC-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001203558722 1133340775 /nfs/dbraw/zinc/34/07/75/1133340775.db2.gz YKPMCUUIKAJGED-GOSISDBHSA-N 0 3 297.398 3.573 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001203558722 1133340780 /nfs/dbraw/zinc/34/07/80/1133340780.db2.gz YKPMCUUIKAJGED-GOSISDBHSA-N 0 3 297.398 3.573 20 10 CHCDHN CCC[N@H+](Cc1cccc(OCC)c1[O-])[C@H](C)CC ZINC001203602141 1133343653 /nfs/dbraw/zinc/34/36/53/1133343653.db2.gz DHCNELQVDBIOTL-CYBMUJFWSA-N 0 3 265.397 3.801 20 10 CHCDHN CCC[N@@H+](Cc1cccc(OCC)c1[O-])[C@H](C)CC ZINC001203602141 1133343660 /nfs/dbraw/zinc/34/36/60/1133343660.db2.gz DHCNELQVDBIOTL-CYBMUJFWSA-N 0 3 265.397 3.801 20 10 CHCDHN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(OC)cc1[O-] ZINC001203628996 1133345782 /nfs/dbraw/zinc/34/57/82/1133345782.db2.gz NANWTROLILLUOX-GOSISDBHSA-N 0 3 297.398 3.910 20 10 CHCDHN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OC)cc1[O-] ZINC001203628996 1133345786 /nfs/dbraw/zinc/34/57/86/1133345786.db2.gz NANWTROLILLUOX-GOSISDBHSA-N 0 3 297.398 3.910 20 10 CHCDHN COc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001203630379 1133346782 /nfs/dbraw/zinc/34/67/82/1133346782.db2.gz RFKVANYZUFUVKU-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001203630379 1133346787 /nfs/dbraw/zinc/34/67/87/1133346787.db2.gz RFKVANYZUFUVKU-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN CCN(CC)c1ccc(CN2CCCC[C@H](F)C2)cc1 ZINC001203936274 1133386787 /nfs/dbraw/zinc/38/67/87/1133386787.db2.gz LJECGTOZEBJCRJ-INIZCTEOSA-N 0 3 278.415 3.857 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@@H](F)C2)c2ccccc21 ZINC001204240697 1133424097 /nfs/dbraw/zinc/42/40/97/1133424097.db2.gz BLIKQGIKILTOHC-OAHLLOKOSA-N 0 3 286.394 3.840 20 10 CHCDHN C[N@H+](Cc1ccc(O)cc1[O-])Cc1cccc2ccccc21 ZINC001204275600 1133426759 /nfs/dbraw/zinc/42/67/59/1133426759.db2.gz WWNINLBMZWSRLR-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@@H+](Cc1ccc(O)cc1[O-])Cc1cccc2ccccc21 ZINC001204275600 1133426763 /nfs/dbraw/zinc/42/67/63/1133426763.db2.gz WWNINLBMZWSRLR-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN FC1(F)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320184 1133437122 /nfs/dbraw/zinc/43/71/22/1133437122.db2.gz NWPDTKKVDGLAKL-UHFFFAOYSA-N 0 3 280.362 3.518 20 10 CHCDHN CC[N@H+](Cc1ccc(F)c(C)c1)Cc1ccccc1[O-] ZINC001205193175 1133544369 /nfs/dbraw/zinc/54/43/69/1133544369.db2.gz RUJFXUVFUQDISY-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1ccc(F)c(C)c1)Cc1ccccc1[O-] ZINC001205193175 1133544370 /nfs/dbraw/zinc/54/43/70/1133544370.db2.gz RUJFXUVFUQDISY-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@H+](CCCc1cccc(OC)c1)Cc1ccccc1[O-] ZINC001207573043 1133820287 /nfs/dbraw/zinc/82/02/87/1133820287.db2.gz QVXFGQWHQFKUQP-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN CC[N@@H+](CCCc1cccc(OC)c1)Cc1ccccc1[O-] ZINC001207573043 1133820290 /nfs/dbraw/zinc/82/02/90/1133820290.db2.gz QVXFGQWHQFKUQP-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN Cc1ccc([C@@H](C)CC[N@H+](C)Cc2ccccc2[O-])o1 ZINC001208169756 1133894396 /nfs/dbraw/zinc/89/43/96/1133894396.db2.gz VDSUCJRIKIEFQH-ZDUSSCGKSA-N 0 3 273.376 3.919 20 10 CHCDHN Cc1ccc([C@@H](C)CC[N@@H+](C)Cc2ccccc2[O-])o1 ZINC001208169756 1133894404 /nfs/dbraw/zinc/89/44/04/1133894404.db2.gz VDSUCJRIKIEFQH-ZDUSSCGKSA-N 0 3 273.376 3.919 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)C[C@@H](C)C(F)(F)F ZINC001208902357 1133960174 /nfs/dbraw/zinc/96/01/74/1133960174.db2.gz RDKOEBBICHVWDB-GFCCVEGCSA-N 0 3 288.357 3.773 20 10 CHCDHN CC(C)(C)c1cc(Nc2cccc(O)c2O)ccn1 ZINC001213166645 1134433284 /nfs/dbraw/zinc/43/32/84/1134433284.db2.gz HTOKTAZRIFHDBN-UHFFFAOYSA-N 0 3 258.321 3.534 20 10 CHCDHN COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])c1 ZINC000179555284 1134549256 /nfs/dbraw/zinc/54/92/56/1134549256.db2.gz ZLVHYTJMEOQIIC-KRWDZBQOSA-N 0 3 283.371 3.738 20 10 CHCDHN COc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2[O-])c1 ZINC000179555284 1134549259 /nfs/dbraw/zinc/54/92/59/1134549259.db2.gz ZLVHYTJMEOQIIC-KRWDZBQOSA-N 0 3 283.371 3.738 20 10 CHCDHN CC(C)O[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000404593850 1134948137 /nfs/dbraw/zinc/94/81/37/1134948137.db2.gz ZHOCXHRHMXBAQA-MRXNPFEDSA-N 0 3 299.414 3.935 20 10 CHCDHN CC(C)O[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000404593850 1134948141 /nfs/dbraw/zinc/94/81/41/1134948141.db2.gz ZHOCXHRHMXBAQA-MRXNPFEDSA-N 0 3 299.414 3.935 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccccc1[O-] ZINC000020123560 171005153 /nfs/dbraw/zinc/00/51/53/171005153.db2.gz ZJASMSCGSHPGGK-OCCSQVGLSA-N 0 3 256.349 3.589 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000020146101 171032033 /nfs/dbraw/zinc/03/20/33/171032033.db2.gz MCUIQRQVXSEZEA-KRWDZBQOSA-N 0 3 284.403 3.699 20 10 CHCDHN CN(C)c1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000020203831 171068199 /nfs/dbraw/zinc/06/81/99/171068199.db2.gz RKJNMSPELJCSSY-MRXNPFEDSA-N 0 3 270.376 3.513 20 10 CHCDHN Cc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)c(C)o1 ZINC000020439196 171202806 /nfs/dbraw/zinc/20/28/06/171202806.db2.gz FIVLISAVWLKNCV-CYBMUJFWSA-N 0 3 272.392 3.813 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000035628987 172308989 /nfs/dbraw/zinc/30/89/89/172308989.db2.gz NNPZKPAEJLTURX-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000037254117 173065516 /nfs/dbraw/zinc/06/55/16/173065516.db2.gz NRIDADHARZCPOW-AVGNSLFASA-N 0 3 263.381 3.630 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccc(O)c2)cc1 ZINC000154404877 261091263 /nfs/dbraw/zinc/09/12/63/261091263.db2.gz AWWXITNQTGOBHA-CQSZACIVSA-N 0 3 284.403 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccccc1[O-] ZINC000158115349 261158479 /nfs/dbraw/zinc/15/84/79/261158479.db2.gz AWYNCXORBDEHBF-GDBMZVCRSA-N 0 3 277.408 3.782 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000363849316 261965955 /nfs/dbraw/zinc/96/59/55/261965955.db2.gz GOQFMZOESMMNEM-CLROSIBMSA-N 0 3 289.419 3.555 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1F ZINC000184911839 262033006 /nfs/dbraw/zinc/03/30/06/262033006.db2.gz OELIEMKXZJRRAK-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185103632 262041005 /nfs/dbraw/zinc/04/10/05/262041005.db2.gz PAHOPAYQEOSXKO-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c([O-])c1 ZINC000185120302 262042868 /nfs/dbraw/zinc/04/28/68/262042868.db2.gz SLPVOQZRELCGNB-KBPBESRZSA-N 0 3 285.387 3.605 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2(CCO)CCCCC2)c([O-])c1 ZINC000185669515 262065499 /nfs/dbraw/zinc/06/54/99/262065499.db2.gz GUXYZPLHQJKTMA-HNNXBMFYSA-N 0 3 291.435 3.684 20 10 CHCDHN COC[C@H](N[C@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000186034338 262075988 /nfs/dbraw/zinc/07/59/88/262075988.db2.gz SMMQCZZMVQXTAN-PBHICJAKSA-N 0 3 285.387 3.739 20 10 CHCDHN COC[C@@H](N[C@@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000186034397 262076346 /nfs/dbraw/zinc/07/63/46/262076346.db2.gz SMMQCZZMVQXTAN-WMLDXEAASA-N 0 3 285.387 3.739 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccccc1[O-] ZINC000186207805 262084426 /nfs/dbraw/zinc/08/44/26/262084426.db2.gz HSXDEFPATSDSEA-SJLPKXTDSA-N 0 3 299.414 3.599 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000185643097 262305115 /nfs/dbraw/zinc/30/51/15/262305115.db2.gz FSRJVTUPCVWPJF-CYBMUJFWSA-N 0 3 277.364 3.760 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000281226266 263067425 /nfs/dbraw/zinc/06/74/25/263067425.db2.gz VJKPEQXCRUXUHS-AAEUAGOBSA-N 0 3 269.335 3.868 20 10 CHCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1F ZINC000292715480 263134350 /nfs/dbraw/zinc/13/43/50/263134350.db2.gz DPZDTMTWIIBVNW-UHFFFAOYSA-N 0 3 277.314 3.695 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3c1cccc3F)CC2 ZINC000297946388 263212758 /nfs/dbraw/zinc/21/27/58/263212758.db2.gz YJACGXTVUACNFI-HZPDHXFCSA-N 0 3 283.346 3.796 20 10 CHCDHN CC[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1[O-] ZINC000367604279 267104764 /nfs/dbraw/zinc/10/47/64/267104764.db2.gz ALOLYOGARFBMQF-MRXNPFEDSA-N 0 3 296.414 3.950 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2(c3ccccn3)CCC2)c([O-])c1 ZINC000367712811 267112163 /nfs/dbraw/zinc/11/21/63/267112163.db2.gz NRHOEKBSGLISME-HNNXBMFYSA-N 0 3 296.414 3.868 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1COc2ccc(C)cc21)c1ccccc1[O-] ZINC000368369947 267166352 /nfs/dbraw/zinc/16/63/52/267166352.db2.gz IUIYJQSUVODHQF-CVEARBPZSA-N 0 3 283.371 3.875 20 10 CHCDHN CC[C@H]([NH2+][C@H]1COc2ccc(C)cc21)c1ccccc1[O-] ZINC000368369948 267166377 /nfs/dbraw/zinc/16/63/77/267166377.db2.gz IUIYJQSUVODHQF-HOTGVXAUSA-N 0 3 283.371 3.875 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1ccccc1[O-] ZINC000368369950 267166462 /nfs/dbraw/zinc/16/64/62/267166462.db2.gz IUIYJQSUVODHQF-JKSUJKDBSA-N 0 3 283.371 3.875 20 10 CHCDHN COCCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCCC1 ZINC000185747994 327844202 /nfs/dbraw/zinc/84/42/02/327844202.db2.gz MMTSHVHZEWBART-OAHLLOKOSA-N 0 3 291.435 3.948 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1[O-] ZINC000291532405 328264789 /nfs/dbraw/zinc/26/47/89/328264789.db2.gz KJJKKWYCYXRZPQ-KRWDZBQOSA-N 0 3 287.403 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1[O-] ZINC000291532405 328264790 /nfs/dbraw/zinc/26/47/90/328264790.db2.gz KJJKKWYCYXRZPQ-KRWDZBQOSA-N 0 3 287.403 3.555 20 10 CHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(CCOC)CC1 ZINC000527936806 330298108 /nfs/dbraw/zinc/29/81/08/330298108.db2.gz RZQJKXBJAZDSLQ-MRXNPFEDSA-N 0 3 277.408 3.592 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccccc1[O-] ZINC000527963794 330301009 /nfs/dbraw/zinc/30/10/09/330301009.db2.gz PKGGTVASJZQHLZ-MRXNPFEDSA-N 0 3 295.386 3.520 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)CC2 ZINC000527969289 330301487 /nfs/dbraw/zinc/30/14/87/330301487.db2.gz SWOFYKQFMCQTNX-HNAYVOBHSA-N 0 3 294.398 3.906 20 10 CHCDHN CC[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(C)cc1[O-] ZINC000528008985 330303698 /nfs/dbraw/zinc/30/36/98/330303698.db2.gz UWXLVSPUGDMGAA-OLFUQESBSA-N 0 3 277.408 3.553 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(OC)cc1 ZINC000226582078 333265234 /nfs/dbraw/zinc/26/52/34/333265234.db2.gz RXJWVKPXUXFGOY-INIZCTEOSA-N 0 3 289.350 3.781 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H](C)Cc2cccs2)c1[O-] ZINC000036992956 521369962 /nfs/dbraw/zinc/36/99/62/521369962.db2.gz LJLJLNGFWDISSI-LBPRGKRZSA-N 0 3 291.416 3.573 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(C)cc1[O-] ZINC000280022063 522651736 /nfs/dbraw/zinc/65/17/36/522651736.db2.gz HLWMDDWYULWFRD-HNNXBMFYSA-N 0 3 299.370 3.670 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1[O-] ZINC000364363107 522728296 /nfs/dbraw/zinc/72/82/96/522728296.db2.gz NFNXGWYUKADYFJ-XJNFMUPTSA-N 0 3 289.419 3.637 20 10 CHCDHN CC[C@H]([NH2+][C@H](CCOC)c1ccco1)c1ccccc1[O-] ZINC000274741734 522748579 /nfs/dbraw/zinc/74/85/79/522748579.db2.gz FLXBZCYUGZSUGU-LSDHHAIUSA-N 0 3 289.375 3.804 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)c1ccccc1[O-] ZINC000274930812 522756858 /nfs/dbraw/zinc/75/68/58/522756858.db2.gz QUTGWAOXVKXKTI-QRTARXTBSA-N 0 3 277.408 3.637 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000037075041 524752290 /nfs/dbraw/zinc/75/22/90/524752290.db2.gz BORBHRIXPAEASO-SFHVURJKSA-N 0 3 283.371 3.642 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H](c2ccccc2)C(C)C)c1 ZINC000036967209 524754476 /nfs/dbraw/zinc/75/44/76/524754476.db2.gz CEENPOVZVGOFHF-SFHVURJKSA-N 0 3 285.387 3.888 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H](C)c2cc(C)sc2C)c1 ZINC000037122790 524756403 /nfs/dbraw/zinc/75/64/03/524756403.db2.gz KXVRSURSVHCOKB-LLVKDONJSA-N 0 3 291.416 3.930 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000061360737 524767664 /nfs/dbraw/zinc/76/76/64/524767664.db2.gz IVIFEZNDICHTPX-WDEREUQCSA-N 0 3 277.389 3.874 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccsc2)c1 ZINC000061360737 524767670 /nfs/dbraw/zinc/76/76/70/524767670.db2.gz IVIFEZNDICHTPX-WDEREUQCSA-N 0 3 277.389 3.874 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccccc2OC(F)F)c1 ZINC000071406496 525351172 /nfs/dbraw/zinc/35/11/72/525351172.db2.gz MBVKKIAQEZDRIN-UHFFFAOYSA-N 0 3 293.313 3.592 20 10 CHCDHN Cc1cc([C@H](C)[NH2+]Cc2ccccc2[O-])c(C)s1 ZINC000037122876 525523048 /nfs/dbraw/zinc/52/30/48/525523048.db2.gz UDZRITWHXBZYNQ-NSHDSACASA-N 0 3 261.390 3.921 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000094616545 525528207 /nfs/dbraw/zinc/52/82/07/525528207.db2.gz CYAKLAOOEDQXMZ-RYUDHWBXSA-N 0 3 259.324 3.943 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCc2occc21)c1cc(F)ccc1[O-] ZINC000094617007 525615183 /nfs/dbraw/zinc/61/51/83/525615183.db2.gz SOIPIERAOFOPDQ-HZMBPMFUSA-N 0 3 275.323 3.853 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000071408064 525730622 /nfs/dbraw/zinc/73/06/22/525730622.db2.gz OHDCUWRXUGFTHL-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1ccsc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094875243 525859074 /nfs/dbraw/zinc/85/90/74/525859074.db2.gz KDXIJHZRZQIPGX-JTQLQIEISA-N 0 3 265.353 3.752 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc32)c([O-])c1C ZINC000290334262 525922896 /nfs/dbraw/zinc/92/28/96/525922896.db2.gz OZYDGFKVKWKZBU-LSDHHAIUSA-N 0 3 297.398 3.836 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000281074184 525924168 /nfs/dbraw/zinc/92/41/68/525924168.db2.gz IOIMNMCHAAOMLS-RYUDHWBXSA-N 0 3 269.335 3.787 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1[O-] ZINC000037075288 526030983 /nfs/dbraw/zinc/03/09/83/526030983.db2.gz TZILYMBYOGNSKD-KRWDZBQOSA-N 0 3 283.371 3.642 20 10 CHCDHN C[C@H](c1ccco1)N(C)Cc1ccc(N(C)C)cc1 ZINC000131021658 526144307 /nfs/dbraw/zinc/14/43/07/526144307.db2.gz HMKBFDVYAXKGPK-CYBMUJFWSA-N 0 3 258.365 3.539 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000036968442 526374854 /nfs/dbraw/zinc/37/48/54/526374854.db2.gz NEORMOCJWRMCGI-AWEZNQCLSA-N 0 3 289.375 3.858 20 10 CHCDHN CCC(CC)(C[NH2+][C@@H](C)c1ccccc1[O-])SC ZINC000228794981 1117791269 /nfs/dbraw/zinc/79/12/69/1117791269.db2.gz VMQMVZYEJHXQMN-LBPRGKRZSA-N 0 3 267.438 3.965 20 10 CHCDHN CN(C)c1cc(F)c(CN(C)CC(C)(C)C)cc1F ZINC001179966494 1121937863 /nfs/dbraw/zinc/93/78/63/1121937863.db2.gz NCPUSBHUOOFKKX-UHFFFAOYSA-N 0 3 270.367 3.509 20 10 CHCDHN CC[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(C)cc1[O-] ZINC000850527474 1123282508 /nfs/dbraw/zinc/28/25/08/1123282508.db2.gz XTSOTUGXDSEFJB-HNNXBMFYSA-N 0 3 279.424 3.947 20 10 CHCDHN CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(C)cc1[O-] ZINC000850535729 1123286826 /nfs/dbraw/zinc/28/68/26/1123286826.db2.gz AFBAEYWOHQXQPY-JSGCOSHPSA-N 0 3 269.335 3.787 20 10 CHCDHN CC[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccccc1[O-] ZINC000850536000 1123287094 /nfs/dbraw/zinc/28/70/94/1123287094.db2.gz GNKSCTXIHZZZAC-GXTWGEPZSA-N 0 3 269.335 3.868 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c([O-])c1 ZINC000877555967 1125044060 /nfs/dbraw/zinc/04/40/60/1125044060.db2.gz HZUOVXWNPWMJCG-ZDUSSCGKSA-N 0 3 269.335 3.616 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CCCCc1ccccc1 ZINC000134225812 1125544562 /nfs/dbraw/zinc/54/45/62/1125544562.db2.gz DXIUXPBHIUHRRG-UHFFFAOYSA-N 0 3 255.361 3.505 20 10 CHCDHN CN(C)c1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000160821858 1126775694 /nfs/dbraw/zinc/77/56/94/1126775694.db2.gz FJODGKIQPLMWFY-UHFFFAOYSA-N 0 3 292.785 3.835 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(C)cc1[O-] ZINC000903261983 1126799271 /nfs/dbraw/zinc/79/92/71/1126799271.db2.gz AKSNFOZJVZJDSN-UAGQMJEPSA-N 0 3 291.435 3.683 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1Cl ZINC000179889352 1126836120 /nfs/dbraw/zinc/83/61/20/1126836120.db2.gz QBOAQYLTYKYSJF-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1[O-] ZINC000183466075 1126887398 /nfs/dbraw/zinc/88/73/98/1126887398.db2.gz LDOXOMPBHXQCNG-BDJLRTHQSA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1[O-] ZINC000183450528 1126888064 /nfs/dbraw/zinc/88/80/64/1126888064.db2.gz GDBCAHGDHAVDEY-ZDUSSCGKSA-N 0 3 295.386 3.552 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccncc1 ZINC000185541519 1126900661 /nfs/dbraw/zinc/90/06/61/1126900661.db2.gz FRVODIXBXOMUFR-XJKSGUPXSA-N 0 3 270.376 3.898 20 10 CHCDHN COc1ccc(F)cc1CN[C@H](C)c1ccc(C)cc1O ZINC000187596924 1126911875 /nfs/dbraw/zinc/91/18/75/1126911875.db2.gz BIQNXPJNHNYTAJ-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000271259959 1127074389 /nfs/dbraw/zinc/07/43/89/1127074389.db2.gz IEKYPSRBOOPWJO-UHFFFAOYSA-N 0 3 289.419 3.706 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1[O-] ZINC000271669742 1127096574 /nfs/dbraw/zinc/09/65/74/1127096574.db2.gz MYOAYXJYXLVLKM-ZBEGNZNMSA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1[O-] ZINC000271669733 1127096760 /nfs/dbraw/zinc/09/67/60/1127096760.db2.gz MYOAYXJYXLVLKM-BDJLRTHQSA-N 0 3 271.335 3.869 20 10 CHCDHN c1csc(S[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000283109458 1127122588 /nfs/dbraw/zinc/12/25/88/1127122588.db2.gz RTULAASIFJEUJK-ZDUSSCGKSA-N 0 3 276.430 3.510 20 10 CHCDHN CC[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C(C)C ZINC001237134843 1131057009 /nfs/dbraw/zinc/05/70/09/1131057009.db2.gz DHYZCGQVUKBMNZ-UHFFFAOYSA-N 0 3 261.287 3.641 20 10 CHCDHN CC[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C(C)C ZINC001237134843 1131057011 /nfs/dbraw/zinc/05/70/11/1131057011.db2.gz DHYZCGQVUKBMNZ-UHFFFAOYSA-N 0 3 261.287 3.641 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1)c1ccccc1[O-] ZINC000156588301 1127160115 /nfs/dbraw/zinc/16/01/15/1127160115.db2.gz RSSOXHWJIAWPHC-PBHICJAKSA-N 0 3 285.387 3.900 20 10 CHCDHN C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1C ZINC000816648270 1131119125 /nfs/dbraw/zinc/11/91/25/1131119125.db2.gz HZDLMLRHTGBFIL-GJZGRUSLSA-N 0 3 297.398 3.811 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1C ZINC000816648270 1131119128 /nfs/dbraw/zinc/11/91/28/1131119128.db2.gz HZDLMLRHTGBFIL-GJZGRUSLSA-N 0 3 297.398 3.811 20 10 CHCDHN CCOc1cccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)c1[O-] ZINC000156980328 1127201686 /nfs/dbraw/zinc/20/16/86/1127201686.db2.gz QAZMUKDGLJEXDO-ZDUSSCGKSA-N 0 3 277.408 3.800 20 10 CHCDHN CCOc1cccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)c1[O-] ZINC000156980328 1127201688 /nfs/dbraw/zinc/20/16/88/1127201688.db2.gz QAZMUKDGLJEXDO-ZDUSSCGKSA-N 0 3 277.408 3.800 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC001238059041 1131164904 /nfs/dbraw/zinc/16/49/04/1131164904.db2.gz ZCPRGHWEVAKWQB-RYUDHWBXSA-N 0 3 251.345 3.603 20 10 CHCDHN CC[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000226565440 1127411509 /nfs/dbraw/zinc/41/15/09/1127411509.db2.gz JHVBRHNUDHHQGY-AWEZNQCLSA-N 0 3 251.345 3.686 20 10 CHCDHN CC[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000226565440 1127411511 /nfs/dbraw/zinc/41/15/11/1127411511.db2.gz JHVBRHNUDHHQGY-AWEZNQCLSA-N 0 3 251.345 3.686 20 10 CHCDHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])c1cccs1 ZINC000226609339 1127412255 /nfs/dbraw/zinc/41/22/55/1127412255.db2.gz IHKJQCGFFUAYKW-UHFFFAOYSA-N 0 3 279.380 3.660 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCc3occc31)CC2 ZINC000295901238 1129219562 /nfs/dbraw/zinc/21/95/62/1129219562.db2.gz IRFGTYZUKNYTPM-UONOGXRCSA-N 0 3 269.344 3.640 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000169084356 1127482798 /nfs/dbraw/zinc/48/27/98/1127482798.db2.gz KUUJYUUAPIHUAC-QWRGUYRKSA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000169084356 1127482800 /nfs/dbraw/zinc/48/28/00/1127482800.db2.gz KUUJYUUAPIHUAC-QWRGUYRKSA-N 0 3 283.799 3.532 20 10 CHCDHN CC[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(C)cc1[O-] ZINC000293632522 1127509992 /nfs/dbraw/zinc/50/99/92/1127509992.db2.gz KFUXOBJENMNPPI-ZDUSSCGKSA-N 0 3 269.335 3.787 20 10 CHCDHN CC[C@@H]([NH2+]CCC1(COC)CCC1)c1ccc(C)cc1[O-] ZINC000293848059 1127525516 /nfs/dbraw/zinc/52/55/16/1127525516.db2.gz YEGCHPZRDXGLTH-MRXNPFEDSA-N 0 3 291.435 3.948 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1[O-] ZINC000060717525 1127565260 /nfs/dbraw/zinc/56/52/60/1127565260.db2.gz XBPUVTAEWATJOQ-MRXNPFEDSA-N 0 3 291.341 3.954 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000228561336 1127567313 /nfs/dbraw/zinc/56/73/13/1127567313.db2.gz FKUFGNCZJQGVPD-GHMZBOCLSA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000228561328 1127567725 /nfs/dbraw/zinc/56/77/25/1127567725.db2.gz FKUFGNCZJQGVPD-PHIMTYICSA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000228561328 1127567727 /nfs/dbraw/zinc/56/77/27/1127567727.db2.gz FKUFGNCZJQGVPD-PHIMTYICSA-N 0 3 283.799 3.532 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])c2ccccc2O1 ZINC000295098735 1127620614 /nfs/dbraw/zinc/62/06/14/1127620614.db2.gz SMCDEDMZCYJPKR-IAQYHMDHSA-N 0 3 287.334 3.533 20 10 CHCDHN CC(C)Oc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296028846 1127661168 /nfs/dbraw/zinc/66/11/68/1127661168.db2.gz PZRSEYNYGHPIBP-INIZCTEOSA-N 0 3 297.398 3.957 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccccc1[O-] ZINC000296262057 1127667042 /nfs/dbraw/zinc/66/70/42/1127667042.db2.gz DHWCZCIGFIDKBN-XJKCOSOUSA-N 0 3 283.371 3.955 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1ccc3[nH]ccc3c1)CC2 ZINC000296351346 1127669478 /nfs/dbraw/zinc/66/94/78/1127669478.db2.gz HMFWPBWVKXXXFX-QGZVFWFLSA-N 0 3 292.382 3.693 20 10 CHCDHN Oc1cccc2c1[C@H](NCc1ccc(Cl)cc1F)CC2 ZINC000296409353 1127670857 /nfs/dbraw/zinc/67/08/57/1127670857.db2.gz KVFRRFHFSFVPCZ-CQSZACIVSA-N 0 3 291.753 3.962 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)c2ccccc2O1 ZINC000296658041 1127681059 /nfs/dbraw/zinc/68/10/59/1127681059.db2.gz ZMMHMXLNFWCFPT-DAXOMENPSA-N 0 3 295.382 3.881 20 10 CHCDHN COCCC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCCC1 ZINC000296854389 1127683978 /nfs/dbraw/zinc/68/39/78/1127683978.db2.gz NIBPONKBOZWBER-HNNXBMFYSA-N 0 3 289.419 3.566 20 10 CHCDHN CC[C@H]([NH2+]CCc1ncccc1C)c1ccc(C)cc1[O-] ZINC000296628749 1127679465 /nfs/dbraw/zinc/67/94/65/1127679465.db2.gz XHFUPWGIMCJCMQ-INIZCTEOSA-N 0 3 284.403 3.687 20 10 CHCDHN CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000296890496 1127685228 /nfs/dbraw/zinc/68/52/28/1127685228.db2.gz ONXJFQXHHGPLMG-DZKIICNBSA-N 0 3 289.419 3.563 20 10 CHCDHN C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1[N+](=O)[O-] ZINC000296920024 1127685757 /nfs/dbraw/zinc/68/57/57/1127685757.db2.gz PPSSNAVVXYVWCS-SMDDNHRTSA-N 0 3 298.342 3.639 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000297311838 1127693405 /nfs/dbraw/zinc/69/34/05/1127693405.db2.gz MXZNIKJCZRXNCR-RYUDHWBXSA-N 0 3 286.331 3.712 20 10 CHCDHN CC[C@@H]([NH2+]CCC(C)(F)F)c1ccc(C)cc1[O-] ZINC000297422883 1127695886 /nfs/dbraw/zinc/69/58/86/1127695886.db2.gz UVMAEXZICVCYED-GFCCVEGCSA-N 0 3 257.324 3.787 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2OCCc3ccccc32)c([O-])c1 ZINC000371869988 1127782376 /nfs/dbraw/zinc/78/23/76/1127782376.db2.gz MCBKKAJLNJRQMK-AUUYWEPGSA-N 0 3 297.398 3.665 20 10 CHCDHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cc(C)ccc1O)CO2 ZINC000373265106 1127830941 /nfs/dbraw/zinc/83/09/41/1127830941.db2.gz IDFLYKXCPCBUSJ-CJNGLKHVSA-N 0 3 283.371 3.793 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000373344497 1127835490 /nfs/dbraw/zinc/83/54/90/1127835490.db2.gz BAABVPALLSJTMR-DOPJRALCSA-N 0 3 289.419 3.556 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000374260488 1127882009 /nfs/dbraw/zinc/88/20/09/1127882009.db2.gz WGKCUTYBZHCLFV-KRWDZBQOSA-N 0 3 285.412 3.682 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000374260488 1127882014 /nfs/dbraw/zinc/88/20/14/1127882014.db2.gz WGKCUTYBZHCLFV-KRWDZBQOSA-N 0 3 285.412 3.682 20 10 CHCDHN CC[C@@H]([NH2+]CC1(COC)CCC1)c1ccc(C)cc1[O-] ZINC000800493194 1127900520 /nfs/dbraw/zinc/90/05/20/1127900520.db2.gz JGKZCECBYUXASS-OAHLLOKOSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@](C)(CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000761973248 1128257896 /nfs/dbraw/zinc/25/78/96/1128257896.db2.gz KPFZCJHQFILTRK-LJQANCHMSA-N 0 3 299.414 3.700 20 10 CHCDHN CC[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(C)cc1[O-] ZINC000926917220 1128202696 /nfs/dbraw/zinc/20/26/96/1128202696.db2.gz YTTHSCXIEPWPLU-CGTJXYLNSA-N 0 3 289.419 3.701 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000927101530 1128217310 /nfs/dbraw/zinc/21/73/10/1128217310.db2.gz NSYKZECQUGWPRC-KGLIPLIRSA-N 0 3 291.435 3.945 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c([O-])c1 ZINC000927128865 1128220768 /nfs/dbraw/zinc/22/07/68/1128220768.db2.gz MZUZQGZIZDTFIB-LSDHHAIUSA-N 0 3 289.419 3.843 20 10 CHCDHN C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000777824872 1128288414 /nfs/dbraw/zinc/28/84/14/1128288414.db2.gz JMIXBSZHKDOZAM-ZDUSSCGKSA-N 0 3 273.351 3.594 20 10 CHCDHN C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000777824872 1128288416 /nfs/dbraw/zinc/28/84/16/1128288416.db2.gz JMIXBSZHKDOZAM-ZDUSSCGKSA-N 0 3 273.351 3.594 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccccc1OC)c1ccccc1[O-] ZINC000154878112 1128586404 /nfs/dbraw/zinc/58/64/04/1128586404.db2.gz KAAQRVPQTXCHOG-MRXNPFEDSA-N 0 3 285.387 3.684 20 10 CHCDHN CC[C@H]([NH2+]CCOc1ccccc1)c1ccccc1[O-] ZINC000042895504 1128589390 /nfs/dbraw/zinc/58/93/90/1128589390.db2.gz ZRFYWCGCCQFETD-INIZCTEOSA-N 0 3 271.360 3.512 20 10 CHCDHN Cc1cccc(OCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000042895944 1128589408 /nfs/dbraw/zinc/58/94/08/1128589408.db2.gz ZZUOHQVNPOOOBM-HNNXBMFYSA-N 0 3 285.387 3.739 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1ccccc1[O-] ZINC000155668821 1128610612 /nfs/dbraw/zinc/61/06/12/1128610612.db2.gz GVXNRXFZMBCYGZ-CXAGYDPISA-N 0 3 285.387 3.770 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000778995543 1128674783 /nfs/dbraw/zinc/67/47/83/1128674783.db2.gz BIVYPFZXWZREFX-OAHLLOKOSA-N 0 3 285.362 3.596 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000778995543 1128674784 /nfs/dbraw/zinc/67/47/84/1128674784.db2.gz BIVYPFZXWZREFX-OAHLLOKOSA-N 0 3 285.362 3.596 20 10 CHCDHN CC(C)CC[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000778996059 1128675491 /nfs/dbraw/zinc/67/54/91/1128675491.db2.gz LGUUEZKAGKXUOU-UHFFFAOYSA-N 0 3 251.345 3.542 20 10 CHCDHN CC(C)CC[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000778996059 1128675493 /nfs/dbraw/zinc/67/54/93/1128675493.db2.gz LGUUEZKAGKXUOU-UHFFFAOYSA-N 0 3 251.345 3.542 20 10 CHCDHN CC[N@H+](Cc1ccccc1C)Cc1cc(F)ccc1[O-] ZINC000778996364 1128675543 /nfs/dbraw/zinc/67/55/43/1128675543.db2.gz MLERKTQCCRBLAR-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1ccccc1C)Cc1cc(F)ccc1[O-] ZINC000778996364 1128675545 /nfs/dbraw/zinc/67/55/45/1128675545.db2.gz MLERKTQCCRBLAR-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1[O-] ZINC000779008555 1128676726 /nfs/dbraw/zinc/67/67/26/1128676726.db2.gz RIEOPKAHLLHLJL-INTQDDNPSA-N 0 3 298.224 3.770 20 10 CHCDHN CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779010361 1128676890 /nfs/dbraw/zinc/67/68/90/1128676890.db2.gz ULETZOWZSBQRCV-CQSZACIVSA-N 0 3 251.345 3.542 20 10 CHCDHN CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779010361 1128676893 /nfs/dbraw/zinc/67/68/93/1128676893.db2.gz ULETZOWZSBQRCV-CQSZACIVSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@H](C[N@H+](C)Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779009926 1128677139 /nfs/dbraw/zinc/67/71/39/1128677139.db2.gz QSWZWOCNPONDEY-CYBMUJFWSA-N 0 3 273.351 3.767 20 10 CHCDHN C[C@H](C[N@@H+](C)Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779009926 1128677141 /nfs/dbraw/zinc/67/71/41/1128677141.db2.gz QSWZWOCNPONDEY-CYBMUJFWSA-N 0 3 273.351 3.767 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000779017804 1128680452 /nfs/dbraw/zinc/68/04/52/1128680452.db2.gz XRPZIUQFVIMCCS-LBPRGKRZSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000779017804 1128680456 /nfs/dbraw/zinc/68/04/56/1128680456.db2.gz XRPZIUQFVIMCCS-LBPRGKRZSA-N 0 3 289.325 3.660 20 10 CHCDHN CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000779016989 1128681711 /nfs/dbraw/zinc/68/17/11/1128681711.db2.gz JCKIEHVRICUXET-KRWDZBQOSA-N 0 3 269.388 3.749 20 10 CHCDHN COc1ccc(C2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000779016824 1128681865 /nfs/dbraw/zinc/68/18/65/1128681865.db2.gz UDWOVQQNNUADAW-UHFFFAOYSA-N 0 3 297.398 3.780 20 10 CHCDHN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000779023635 1128685789 /nfs/dbraw/zinc/68/57/89/1128685789.db2.gz VBNDPCGKZVPGRG-NVXWUHKLSA-N 0 3 281.399 3.845 20 10 CHCDHN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000779023635 1128685790 /nfs/dbraw/zinc/68/57/90/1128685790.db2.gz VBNDPCGKZVPGRG-NVXWUHKLSA-N 0 3 281.399 3.845 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC12CCCCC2 ZINC000779023449 1128686341 /nfs/dbraw/zinc/68/63/41/1128686341.db2.gz SEUSURGVYURNKL-UHFFFAOYSA-N 0 3 263.356 3.830 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC12CCCCC2 ZINC000779023449 1128686343 /nfs/dbraw/zinc/68/63/43/1128686343.db2.gz SEUSURGVYURNKL-UHFFFAOYSA-N 0 3 263.356 3.830 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000134226424 1128705813 /nfs/dbraw/zinc/70/58/13/1128705813.db2.gz HSRIQNVMMCTUKQ-AWEZNQCLSA-N 0 3 289.375 3.858 20 10 CHCDHN FC(F)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000185186584 1117781920 /nfs/dbraw/zinc/78/19/20/1117781920.db2.gz JHGNDUXLKHUBPI-UHFFFAOYSA-N 0 3 289.325 3.849 20 10 CHCDHN C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185471840 1117828784 /nfs/dbraw/zinc/82/87/84/1117828784.db2.gz MIRSFLJMVLYVLM-BLLLJJGKSA-N 0 3 296.430 3.548 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccc(C)cc1[O-] ZINC000799729180 1117842455 /nfs/dbraw/zinc/84/24/55/1117842455.db2.gz INVNABVUUOAAHR-VYDXJSESSA-N 0 3 277.408 3.699 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000185828692 1117914386 /nfs/dbraw/zinc/91/43/86/1117914386.db2.gz WIVUMVGZKUPAQN-PBHICJAKSA-N 0 3 291.435 3.683 20 10 CHCDHN Cc1cc([C@@H]2CCCN2Cc2c(C)ccc(C)c2O)no1 ZINC001140178201 1118241495 /nfs/dbraw/zinc/24/14/95/1118241495.db2.gz CFTQQQGVAHFQBP-INIZCTEOSA-N 0 3 286.375 3.643 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000076074015 1128768774 /nfs/dbraw/zinc/76/87/74/1128768774.db2.gz CGQCRPWOUJZLOZ-LJQANCHMSA-N 0 3 299.414 3.646 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000076074015 1128768778 /nfs/dbraw/zinc/76/87/78/1128768778.db2.gz CGQCRPWOUJZLOZ-LJQANCHMSA-N 0 3 299.414 3.646 20 10 CHCDHN CC[C@@H]([NH2+]CCOCc1ccccc1)c1ccccc1[O-] ZINC000186231707 1118395781 /nfs/dbraw/zinc/39/57/81/1118395781.db2.gz GTWLFPYQKLWFSU-QGZVFWFLSA-N 0 3 285.387 3.650 20 10 CHCDHN Cc1cccc2c(CC[NH2+]Cc3cc(F)ccc3[O-])c[nH]c21 ZINC000180782689 1128811391 /nfs/dbraw/zinc/81/13/91/1128811391.db2.gz VBZQBPMFMNEVEY-UHFFFAOYSA-N 0 3 298.361 3.653 20 10 CHCDHN CN(C)c1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000068979990 1128814449 /nfs/dbraw/zinc/81/44/49/1128814449.db2.gz ANHWNCIDOGFLHF-UHFFFAOYSA-N 0 3 266.388 3.532 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000051630630 1119059633 /nfs/dbraw/zinc/05/96/33/1119059633.db2.gz PDUOEDIFTXLFGN-SJLPKXTDSA-N 0 3 281.399 3.990 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc3C2)c([O-])c1 ZINC000051630743 1119061786 /nfs/dbraw/zinc/06/17/86/1119061786.db2.gz IRQWBDUFNAHYGW-YOEHRIQHSA-N 0 3 281.399 3.909 20 10 CHCDHN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000049553090 1119104398 /nfs/dbraw/zinc/10/43/98/1119104398.db2.gz MKKGDMODJVIAGS-KGLIPLIRSA-N 0 3 286.419 3.536 20 10 CHCDHN CC[C@H]([NH2+]CCCOc1ccccc1)c1ccccc1[O-] ZINC000052091975 1119781574 /nfs/dbraw/zinc/78/15/74/1119781574.db2.gz GVYUIXKFXVDJKI-KRWDZBQOSA-N 0 3 285.387 3.902 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708767198 1119808332 /nfs/dbraw/zinc/80/83/32/1119808332.db2.gz SGTSXNAEVPBVGR-AWEZNQCLSA-N 0 3 277.383 3.934 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708767198 1119808335 /nfs/dbraw/zinc/80/83/35/1119808335.db2.gz SGTSXNAEVPBVGR-AWEZNQCLSA-N 0 3 277.383 3.934 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCC(F)(F)C1)CC2 ZINC000695117519 1120108858 /nfs/dbraw/zinc/10/88/58/1120108858.db2.gz ANERKMCNSUYCJC-NWDGAFQWSA-N 0 3 267.319 3.547 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1CCC(F)(F)CC1)CC2 ZINC000693388351 1120143220 /nfs/dbraw/zinc/14/32/20/1120143220.db2.gz RRPVAICRHIIONH-CYBMUJFWSA-N 0 3 281.346 3.795 20 10 CHCDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC001140955094 1120146907 /nfs/dbraw/zinc/14/69/07/1120146907.db2.gz QUHSCIOKWYQLKN-QGZVFWFLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC001140955094 1120146909 /nfs/dbraw/zinc/14/69/09/1120146909.db2.gz QUHSCIOKWYQLKN-QGZVFWFLSA-N 0 3 267.372 3.820 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780520393 1120159269 /nfs/dbraw/zinc/15/92/69/1120159269.db2.gz OMVJJOBLOXKYJU-SJLPKXTDSA-N 0 3 281.399 3.893 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3ccccc3C1)CC2 ZINC000314450180 1120210374 /nfs/dbraw/zinc/21/03/74/1120210374.db2.gz DOEXVVPKXARMAS-IRXDYDNUSA-N 0 3 279.383 3.527 20 10 CHCDHN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccccc1[O-])CCC2 ZINC000179574693 1120250922 /nfs/dbraw/zinc/25/09/22/1120250922.db2.gz WRSRCOMWIWJMIS-AWEZNQCLSA-N 0 3 288.416 3.667 20 10 CHCDHN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccccc1[O-])CCC2 ZINC000179574693 1120250926 /nfs/dbraw/zinc/25/09/26/1120250926.db2.gz WRSRCOMWIWJMIS-AWEZNQCLSA-N 0 3 288.416 3.667 20 10 CHCDHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000183467972 1120343159 /nfs/dbraw/zinc/34/31/59/1120343159.db2.gz AVRFXKXFWHGBBT-MAUKXSAKSA-N 0 3 298.430 3.654 20 10 CHCDHN CCOc1cccc(CC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183622759 1120344263 /nfs/dbraw/zinc/34/42/63/1120344263.db2.gz RBOBCUBZSVWVPY-AWEZNQCLSA-N 0 3 285.387 3.684 20 10 CHCDHN C[C@@H]([NH2+]CCCOC1CCCC1)c1cc(F)ccc1[O-] ZINC000185240782 1120372675 /nfs/dbraw/zinc/37/26/75/1120372675.db2.gz GVHARTCCQBDECV-GFCCVEGCSA-N 0 3 281.371 3.531 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000186569622 1120401850 /nfs/dbraw/zinc/40/18/50/1120401850.db2.gz SAEBBPBEDXZSEW-CMPLNLGQSA-N 0 3 276.405 3.611 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccccc1[O-] ZINC000692692679 1120488289 /nfs/dbraw/zinc/48/82/89/1120488289.db2.gz VFRACNDNDPZGNR-DZGCQCFKSA-N 0 3 270.376 3.632 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000191516191 1120523061 /nfs/dbraw/zinc/52/30/61/1120523061.db2.gz YGERUIRLFJDSDW-SNVBAGLBSA-N 0 3 295.304 3.703 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCSc1ccccc1)CC2 ZINC000312888307 1120653767 /nfs/dbraw/zinc/65/37/67/1120653767.db2.gz WGSWRWBDWIMRKB-OAHLLOKOSA-N 0 3 285.412 3.761 20 10 CHCDHN Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000312900073 1120654571 /nfs/dbraw/zinc/65/45/71/1120654571.db2.gz YHMZMHKQRMXBBR-XHDPSFHLSA-N 0 3 287.428 3.970 20 10 CHCDHN Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000312900062 1120654625 /nfs/dbraw/zinc/65/46/25/1120654625.db2.gz YHMZMHKQRMXBBR-IAQYHMDHSA-N 0 3 287.428 3.970 20 10 CHCDHN Cc1ccc(C[C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000312900067 1120654874 /nfs/dbraw/zinc/65/48/74/1120654874.db2.gz YHMZMHKQRMXBBR-NHYWBVRUSA-N 0 3 287.428 3.970 20 10 CHCDHN CO[C@H](C)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000248410935 1120706923 /nfs/dbraw/zinc/70/69/23/1120706923.db2.gz DLCOCQXCHGSMHW-HZPDHXFCSA-N 0 3 299.414 3.990 20 10 CHCDHN CO[C@H](C)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000248410935 1120706925 /nfs/dbraw/zinc/70/69/25/1120706925.db2.gz DLCOCQXCHGSMHW-HZPDHXFCSA-N 0 3 299.414 3.990 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2cncc(C)c2)cc1 ZINC000181843572 1120904217 /nfs/dbraw/zinc/90/42/17/1120904217.db2.gz PMGMXGDQKJVJDO-OAHLLOKOSA-N 0 3 283.419 3.697 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(C)c(C)n2)c(O)c1 ZINC000314309313 1120927159 /nfs/dbraw/zinc/92/71/59/1120927159.db2.gz QSDUFJFINWECAO-CQSZACIVSA-N 0 3 270.376 3.563 20 10 CHCDHN CCC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])OCC ZINC000705319223 1121397031 /nfs/dbraw/zinc/39/70/31/1121397031.db2.gz XMMMDEOIACUOOH-KBPBESRZSA-N 0 3 265.397 3.556 20 10 CHCDHN CCN(C)c1ccc(CN(C)[C@@H](C)c2ccco2)cc1 ZINC000773746622 1121790624 /nfs/dbraw/zinc/79/06/24/1121790624.db2.gz NBMDDLYBJOLQKP-AWEZNQCLSA-N 0 3 272.392 3.929 20 10 CHCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)O1 ZINC001204233572 1121831119 /nfs/dbraw/zinc/83/11/19/1121831119.db2.gz RPVVQDIGGITWEL-GASCZTMLSA-N 0 3 298.430 3.515 20 10 CHCDHN CC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@H](C)O1 ZINC000732184551 1121910899 /nfs/dbraw/zinc/91/08/99/1121910899.db2.gz CLZUIKMRSMHBPQ-HOCLYGCPSA-N 0 3 291.435 3.823 20 10 CHCDHN C[N@H+](CCc1c(F)cccc1Cl)Cc1ccccc1[O-] ZINC000732203182 1121911821 /nfs/dbraw/zinc/91/18/21/1121911821.db2.gz OBLUKUJYLQKEJV-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN C[N@@H+](CCc1c(F)cccc1Cl)Cc1ccccc1[O-] ZINC000732203182 1121911825 /nfs/dbraw/zinc/91/18/25/1121911825.db2.gz OBLUKUJYLQKEJV-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](OC)[C@@H](C)CC ZINC001180194737 1121965727 /nfs/dbraw/zinc/96/57/27/1121965727.db2.gz MAEQHOWKZHSHKO-YOEHRIQHSA-N 0 3 279.424 3.665 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](OC)[C@@H](C)CC ZINC001180194737 1121965732 /nfs/dbraw/zinc/96/57/32/1121965732.db2.gz MAEQHOWKZHSHKO-YOEHRIQHSA-N 0 3 279.424 3.665 20 10 CHCDHN CCC1(C)CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001180284218 1121976649 /nfs/dbraw/zinc/97/66/49/1121976649.db2.gz DAVVVUFIQUXAQW-UHFFFAOYSA-N 0 3 277.408 3.721 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001181196045 1122041289 /nfs/dbraw/zinc/04/12/89/1122041289.db2.gz HOLQTONBTLUGAH-IIAWOOMASA-N 0 3 289.419 3.849 20 10 CHCDHN CCC1(C[NH2+]Cc2cc(C(C)C)ccc2[O-])CCOCC1 ZINC001181808551 1122080292 /nfs/dbraw/zinc/08/02/92/1122080292.db2.gz NQCVBLVUQVANEF-UHFFFAOYSA-N 0 3 291.435 3.812 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000271812885 1122176331 /nfs/dbraw/zinc/17/63/31/1122176331.db2.gz LHXVBRCWJOUQGU-GJZGRUSLSA-N 0 3 297.826 3.647 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccccc1[O-] ZINC000272815055 1122213547 /nfs/dbraw/zinc/21/35/47/1122213547.db2.gz DWQNSLDNMFTGDS-HUUCEWRRSA-N 0 3 289.419 3.925 20 10 CHCDHN COc1cccc2c1CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C2 ZINC001183355722 1122217999 /nfs/dbraw/zinc/21/79/99/1122217999.db2.gz RYJXTUAELIBQFI-UKRRQHHQSA-N 0 3 297.398 3.609 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC000273451663 1122233821 /nfs/dbraw/zinc/23/38/21/1122233821.db2.gz GCMYUMHOZRULDP-HRCADAONSA-N 0 3 291.435 3.945 20 10 CHCDHN CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])CCO1 ZINC000273533186 1122237610 /nfs/dbraw/zinc/23/76/10/1122237610.db2.gz WTPRZZZGXVITOS-AEGPPILISA-N 0 3 295.398 3.776 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C(C(C)C)C(C)C)c1[O-] ZINC001184336909 1122272009 /nfs/dbraw/zinc/27/20/09/1122272009.db2.gz COBLOCKOGPYJKF-UHFFFAOYSA-N 0 3 285.815 3.824 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])COCc1ccccc1 ZINC000183459110 1129055621 /nfs/dbraw/zinc/05/56/21/1129055621.db2.gz VVXXUDUNAKKOMP-HOTGVXAUSA-N 0 3 299.414 3.896 20 10 CHCDHN Cc1ccc(OCCC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183478556 1129057775 /nfs/dbraw/zinc/05/77/75/1129057775.db2.gz XYKLMEGFXFKNIO-HNNXBMFYSA-N 0 3 285.387 3.820 20 10 CHCDHN COc1ccsc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775363303 1122528002 /nfs/dbraw/zinc/52/80/02/1122528002.db2.gz MLNTZQPZSBZILO-LBPRGKRZSA-N 0 3 290.432 3.674 20 10 CHCDHN CC[C@H]([NH2+]CCOc1ccc(F)cc1)c1ccccc1[O-] ZINC000775415629 1122557700 /nfs/dbraw/zinc/55/77/00/1122557700.db2.gz UAYOITSAZFHWOZ-INIZCTEOSA-N 0 3 289.350 3.651 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccccc1[O-] ZINC000775503425 1122631367 /nfs/dbraw/zinc/63/13/67/1122631367.db2.gz IGQHUXGUUJAFGR-XJKSGUPXSA-N 0 3 287.407 3.972 20 10 CHCDHN CC[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccccc1[O-] ZINC000775526624 1122643821 /nfs/dbraw/zinc/64/38/21/1122643821.db2.gz SKBALXZFDJCXLX-AEFFLSMTSA-N 0 3 282.387 3.979 20 10 CHCDHN COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183631331 1129072401 /nfs/dbraw/zinc/07/24/01/1129072401.db2.gz ZHPGZDHWTOAVKW-LSDHHAIUSA-N 0 3 299.414 3.930 20 10 CHCDHN COCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C1CCCC1 ZINC000775656928 1122871796 /nfs/dbraw/zinc/87/17/96/1122871796.db2.gz QCXATMZUNUPSEK-UHFFFAOYSA-N 0 3 297.826 3.745 20 10 CHCDHN COCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C1CCCC1 ZINC000775656928 1122871799 /nfs/dbraw/zinc/87/17/99/1122871799.db2.gz QCXATMZUNUPSEK-UHFFFAOYSA-N 0 3 297.826 3.745 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]2C(C)C)c1[O-] ZINC000775763093 1122948411 /nfs/dbraw/zinc/94/84/11/1122948411.db2.gz DITVITDCIOMIGG-CYBMUJFWSA-N 0 3 298.224 3.693 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]2C(C)C)c1[O-] ZINC000775763093 1122948415 /nfs/dbraw/zinc/94/84/15/1122948415.db2.gz DITVITDCIOMIGG-CYBMUJFWSA-N 0 3 298.224 3.693 20 10 CHCDHN COc1ccccc1[C@@H](C)N(C)Cc1ccc(N(C)C)cc1 ZINC001203936570 1123032743 /nfs/dbraw/zinc/03/27/43/1123032743.db2.gz GJNLREZXQOVYBY-OAHLLOKOSA-N 0 3 298.430 3.954 20 10 CHCDHN CC[N@H+](CCCc1ccccc1)Cc1ccccc1[O-] ZINC001201671915 1123133374 /nfs/dbraw/zinc/13/33/74/1123133374.db2.gz OPTFNNYVPWHFLL-UHFFFAOYSA-N 0 3 269.388 3.847 20 10 CHCDHN CC[N@@H+](CCCc1ccccc1)Cc1ccccc1[O-] ZINC001201671915 1123133376 /nfs/dbraw/zinc/13/33/76/1123133376.db2.gz OPTFNNYVPWHFLL-UHFFFAOYSA-N 0 3 269.388 3.847 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccs1 ZINC001202018583 1123166259 /nfs/dbraw/zinc/16/62/59/1123166259.db2.gz QTHPGHMSISXEFM-NSHDSACASA-N 0 3 278.396 3.804 20 10 CHCDHN CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1[O-] ZINC000850342524 1123255006 /nfs/dbraw/zinc/25/50/06/1123255006.db2.gz MJBVZDDCWKPDEA-INIZCTEOSA-N 0 3 273.351 3.642 20 10 CHCDHN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000850388240 1123262051 /nfs/dbraw/zinc/26/20/51/1123262051.db2.gz KDEZOSHSZHXXNP-CVEARBPZSA-N 0 3 289.419 3.608 20 10 CHCDHN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000850388241 1123262221 /nfs/dbraw/zinc/26/22/21/1123262221.db2.gz KDEZOSHSZHXXNP-HOTGVXAUSA-N 0 3 289.419 3.608 20 10 CHCDHN CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000850501185 1123274990 /nfs/dbraw/zinc/27/49/90/1123274990.db2.gz KJZCQWYUZLWDHV-AWEZNQCLSA-N 0 3 291.435 3.546 20 10 CHCDHN CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000850500902 1123275103 /nfs/dbraw/zinc/27/51/03/1123275103.db2.gz IGKGQBHHRHUENY-AWEZNQCLSA-N 0 3 293.451 3.929 20 10 CHCDHN CC[C@@H](COCC1CC1)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000850493134 1123275215 /nfs/dbraw/zinc/27/52/15/1123275215.db2.gz HKMUSJDGMZWZOX-RDJZCZTQSA-N 0 3 291.435 3.947 20 10 CHCDHN CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000850501186 1123275357 /nfs/dbraw/zinc/27/53/57/1123275357.db2.gz KJZCQWYUZLWDHV-CQSZACIVSA-N 0 3 291.435 3.546 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCc2ccoc2)c2c1c(F)ccc2[O-] ZINC000850531526 1123284787 /nfs/dbraw/zinc/28/47/87/1123284787.db2.gz LGESARSSHVHUPV-GWCFXTLKSA-N 0 3 275.323 3.505 20 10 CHCDHN CC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(C)cc1[O-] ZINC000850535588 1123286789 /nfs/dbraw/zinc/28/67/89/1123286789.db2.gz XLUSFVQQVGWBJK-INIZCTEOSA-N 0 3 299.418 3.552 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)c2c1c(F)ccc2[O-] ZINC000850535688 1123286896 /nfs/dbraw/zinc/28/68/96/1123286896.db2.gz ZHMZGIAWAPVMPB-BYNQJWBRSA-N 0 3 293.382 3.627 20 10 CHCDHN CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(C)cc1[O-] ZINC000850535728 1123287453 /nfs/dbraw/zinc/28/74/53/1123287453.db2.gz AFBAEYWOHQXQPY-GXTWGEPZSA-N 0 3 269.335 3.787 20 10 CHCDHN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(N(C)C)cc1 ZINC000850543400 1123289365 /nfs/dbraw/zinc/28/93/65/1123289365.db2.gz IXIMFLDBEWRTPX-YJYMSZOUSA-N 0 3 296.414 3.796 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)c1ccccc1[O-] ZINC000850553985 1123291056 /nfs/dbraw/zinc/29/10/56/1123291056.db2.gz GBPFMNUOKWOELP-IWMBGFJWSA-N 0 3 265.372 3.960 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c([O-])c1 ZINC000850573462 1123295639 /nfs/dbraw/zinc/29/56/39/1123295639.db2.gz MIRKEEXRLBQZNW-ZRGWGRIASA-N 0 3 299.414 3.516 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCc2ccccc21 ZINC000111235617 1123432154 /nfs/dbraw/zinc/43/21/54/1123432154.db2.gz PAPFUWNUIVRQLZ-QGZVFWFLSA-N 0 3 267.372 3.902 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCc2ccccc21 ZINC000111235617 1123432157 /nfs/dbraw/zinc/43/21/57/1123432157.db2.gz PAPFUWNUIVRQLZ-QGZVFWFLSA-N 0 3 267.372 3.902 20 10 CHCDHN CC[C@H]([NH2+]CCOC1CCCCC1)c1ccccc1[O-] ZINC000111636071 1123457321 /nfs/dbraw/zinc/45/73/21/1123457321.db2.gz DCRDBMHKFMPCDL-INIZCTEOSA-N 0 3 277.408 3.782 20 10 CHCDHN Cc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1Cl ZINC000780757859 1123511673 /nfs/dbraw/zinc/51/16/73/1123511673.db2.gz ILDGCGJZRQFJPH-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1Cl ZINC000780757859 1123511677 /nfs/dbraw/zinc/51/16/77/1123511677.db2.gz ILDGCGJZRQFJPH-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Fc1cc(Cl)cc(CNCc2ccc3c(c2)CCO3)c1 ZINC000776799666 1123512050 /nfs/dbraw/zinc/51/20/50/1123512050.db2.gz KAUITLOQHIQDBB-UHFFFAOYSA-N 0 3 291.753 3.704 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000895851042 1123521455 /nfs/dbraw/zinc/52/14/55/1123521455.db2.gz IIJUPZQVTPKIFR-LZWOXQAQSA-N 0 3 297.398 3.683 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1cccnc1)C1CCCC1 ZINC000113506148 1123529634 /nfs/dbraw/zinc/52/96/34/1123529634.db2.gz SWGRJYOHEIPNME-UHFFFAOYSA-N 0 3 282.387 3.732 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccnc1)C1CCCC1 ZINC000113506148 1123529638 /nfs/dbraw/zinc/52/96/38/1123529638.db2.gz SWGRJYOHEIPNME-UHFFFAOYSA-N 0 3 282.387 3.732 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC001237687803 1129128738 /nfs/dbraw/zinc/12/87/38/1129128738.db2.gz VHTMLUWJEUIEBP-PWSUYJOCSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC001237687803 1129128741 /nfs/dbraw/zinc/12/87/41/1129128741.db2.gz VHTMLUWJEUIEBP-PWSUYJOCSA-N 0 3 267.800 3.974 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)[C@H](C)[C@H](C)O1 ZINC000783544140 1123642539 /nfs/dbraw/zinc/64/25/39/1123642539.db2.gz PJXUCEUYVZDABD-MCIONIFRSA-N 0 3 285.387 3.543 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H](C)[C@H](C)O1 ZINC000783544140 1123642542 /nfs/dbraw/zinc/64/25/42/1123642542.db2.gz PJXUCEUYVZDABD-MCIONIFRSA-N 0 3 285.387 3.543 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858538330 1123660758 /nfs/dbraw/zinc/66/07/58/1123660758.db2.gz UEJWHKUDLFYXJG-VWPFQQQWSA-N 0 3 259.393 3.787 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000858536610 1123660927 /nfs/dbraw/zinc/66/09/27/1123660927.db2.gz IDXKISKNXCNCGT-ZJOBFFGXSA-N 0 3 259.393 3.787 20 10 CHCDHN Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000281126580 1123683371 /nfs/dbraw/zinc/68/33/71/1123683371.db2.gz DPNDKZATHHMAKY-NVXWUHKLSA-N 0 3 296.414 3.912 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000194990361 1129140407 /nfs/dbraw/zinc/14/04/07/1129140407.db2.gz JVNWZBGSDUMWSJ-CABCVRRESA-N 0 3 298.430 3.538 20 10 CHCDHN Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccccc1[O-])CC2 ZINC000777220168 1123785830 /nfs/dbraw/zinc/78/58/30/1123785830.db2.gz PBZUYOMWDMWKIH-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1cc(C)c2c(c1)C[N@H+](Cc1ccccc1[O-])CC2 ZINC000777220168 1123785831 /nfs/dbraw/zinc/78/58/31/1123785831.db2.gz PBZUYOMWDMWKIH-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccccc1[O-] ZINC000840788678 1123801868 /nfs/dbraw/zinc/80/18/68/1123801868.db2.gz QXDOZNBVCPZAOM-HZUKXOBISA-N 0 3 271.335 3.738 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC(F)(F)CC2)c1[O-] ZINC000862467425 1123812859 /nfs/dbraw/zinc/81/28/59/1123812859.db2.gz UQCDCGRHFWXPDH-UHFFFAOYSA-N 0 3 289.753 3.975 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC(F)(F)CC2)c1[O-] ZINC000862467425 1123812865 /nfs/dbraw/zinc/81/28/65/1123812865.db2.gz UQCDCGRHFWXPDH-UHFFFAOYSA-N 0 3 289.753 3.975 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCC3(CC3)CC2)c1[O-] ZINC000862538486 1123816331 /nfs/dbraw/zinc/81/63/31/1123816331.db2.gz ACMJDVXVWJDGHA-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCC3(CC3)CC2)c1[O-] ZINC000862538486 1123816335 /nfs/dbraw/zinc/81/63/35/1123816335.db2.gz ACMJDVXVWJDGHA-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)c1[O-] ZINC000840859823 1123861733 /nfs/dbraw/zinc/86/17/33/1123861733.db2.gz MXXMYTYNWCHTLQ-SCVCMEIPSA-N 0 3 285.840 3.899 20 10 CHCDHN CC[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(C)cc1[O-] ZINC000794794933 1123949391 /nfs/dbraw/zinc/94/93/91/1123949391.db2.gz FCBMHVSCCRMIHL-WBVHZDCISA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(C)cc1[O-] ZINC000794800884 1123950557 /nfs/dbraw/zinc/95/05/57/1123950557.db2.gz FEEKQVNJLBKFOM-QGZVFWFLSA-N 0 3 285.387 3.690 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(C)cc1[O-] ZINC000794802144 1123950612 /nfs/dbraw/zinc/95/06/12/1123950612.db2.gz MVAZOZXNXNENQM-NVXWUHKLSA-N 0 3 293.451 3.786 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccco1)c1ccc(C)cc1[O-] ZINC000794794316 1123951483 /nfs/dbraw/zinc/95/14/83/1123951483.db2.gz LOIZWCOAKZDNMU-OAHLLOKOSA-N 0 3 259.349 3.577 20 10 CHCDHN CC[C@H]([NH2+]CCc1nc(C)cs1)c1ccc(C)cc1[O-] ZINC000794793738 1123951497 /nfs/dbraw/zinc/95/14/97/1123951497.db2.gz BPEFGLFQKNTQDS-AWEZNQCLSA-N 0 3 290.432 3.749 20 10 CHCDHN CC[C@H]([NH2+][C@H](CO)c1ccccc1C)c1ccc(C)cc1[O-] ZINC000794804861 1123952469 /nfs/dbraw/zinc/95/24/69/1123952469.db2.gz VQWKHWUMGGCMMT-ZWKOTPCHSA-N 0 3 299.414 3.783 20 10 CHCDHN C[C@H]([NH2+]CCCc1ccccc1F)c1cc(F)ccc1[O-] ZINC000794840680 1123989729 /nfs/dbraw/zinc/98/97/29/1123989729.db2.gz JYPZTHBJORSLTG-LBPRGKRZSA-N 0 3 291.341 3.954 20 10 CHCDHN CC[C@@](C)([NH2+]Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000865659867 1124003345 /nfs/dbraw/zinc/00/33/45/1124003345.db2.gz GOGSFGIDZJUELF-QGZVFWFLSA-N 0 3 273.351 3.946 20 10 CHCDHN CC(C)CO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000120893641 1124032390 /nfs/dbraw/zinc/03/23/90/1124032390.db2.gz CXQVWGVAMIFEPC-INIZCTEOSA-N 0 3 299.414 3.792 20 10 CHCDHN CC(C)CO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000120893641 1124032395 /nfs/dbraw/zinc/03/23/95/1124032395.db2.gz CXQVWGVAMIFEPC-INIZCTEOSA-N 0 3 299.414 3.792 20 10 CHCDHN CC(C)(C)c1ccncc1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000840959919 1124044061 /nfs/dbraw/zinc/04/40/61/1124044061.db2.gz YCWUCJLUFWFUQZ-UHFFFAOYSA-N 0 3 288.366 3.514 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000866499021 1124073234 /nfs/dbraw/zinc/07/32/34/1124073234.db2.gz CWQBXKAJGJTLPP-KHUVANEUSA-N 0 3 289.272 3.620 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(C)cc1[O-] ZINC000866501264 1124073446 /nfs/dbraw/zinc/07/34/46/1124073446.db2.gz ZXIWPSHZNFOGFS-IJLUTSLNSA-N 0 3 273.298 3.692 20 10 CHCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCn3nccc32)cc1 ZINC000866633585 1124092041 /nfs/dbraw/zinc/09/20/41/1124092041.db2.gz WCIBVSLPOCIBLJ-YOEHRIQHSA-N 0 3 298.434 3.525 20 10 CHCDHN COc1cc(C)cc(CNCc2cscc2Cl)c1O ZINC001119517037 1131256709 /nfs/dbraw/zinc/25/67/09/1131256709.db2.gz MDEQLYAEDJFKIC-UHFFFAOYSA-N 0 3 297.807 3.714 20 10 CHCDHN COCC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000872104741 1124682324 /nfs/dbraw/zinc/68/23/24/1124682324.db2.gz OIHQXTYCWIXSBO-DGCLKSJQSA-N 0 3 295.398 3.732 20 10 CHCDHN CCCOc1ccc(CNCc2ccccc2CO)cc1C ZINC000873020707 1124734416 /nfs/dbraw/zinc/73/44/16/1124734416.db2.gz ASWZBVOUIXXZMR-UHFFFAOYSA-N 0 3 299.414 3.566 20 10 CHCDHN CCCOc1ccc(C[NH2+]Cc2ccccc2[O-])cc1C ZINC000873035820 1124735073 /nfs/dbraw/zinc/73/50/73/1124735073.db2.gz PDVSSRVJBKMJLL-UHFFFAOYSA-N 0 3 285.387 3.779 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCc2ccccc2)c([O-])c1 ZINC000021813599 1124972351 /nfs/dbraw/zinc/97/23/51/1124972351.db2.gz VBFVDMWHNFCUEH-OAHLLOKOSA-N 0 3 269.388 3.984 20 10 CHCDHN COc1ccc(F)cc1[C@H](C)NCc1ccc(C)cc1O ZINC000876942373 1124991507 /nfs/dbraw/zinc/99/15/07/1124991507.db2.gz XPXFZBJLZGJWHB-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN CSc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876969756 1124993803 /nfs/dbraw/zinc/99/38/03/1124993803.db2.gz YYEKJVODEWKIOB-UHFFFAOYSA-N 0 3 273.401 3.712 20 10 CHCDHN COc1ccc(Cl)cc1CNCc1c(C)cccc1O ZINC000876982471 1124994836 /nfs/dbraw/zinc/99/48/36/1124994836.db2.gz APTGINUNHPNIIX-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)c([O-])c1 ZINC000877008566 1124996089 /nfs/dbraw/zinc/99/60/89/1124996089.db2.gz NCKFWNWPURTFFI-ACJLOTCBSA-N 0 3 267.372 3.724 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000877082500 1125006847 /nfs/dbraw/zinc/00/68/47/1125006847.db2.gz WFYVQXQLPZZOTM-MRXNPFEDSA-N 0 3 284.403 3.625 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000877081999 1125007193 /nfs/dbraw/zinc/00/71/93/1125007193.db2.gz KHGIWHFACVPTOI-QGZVFWFLSA-N 0 3 284.403 3.625 20 10 CHCDHN Cc1cccc(C)c1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877112796 1125010621 /nfs/dbraw/zinc/01/06/21/1125010621.db2.gz ZXIKSZSZBJQITR-UHFFFAOYSA-N 0 3 255.361 3.607 20 10 CHCDHN CCC(CC)[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])CCO1 ZINC000877166465 1125016284 /nfs/dbraw/zinc/01/62/84/1125016284.db2.gz AMKCOMKIADTRMF-SJLPKXTDSA-N 0 3 291.435 3.774 20 10 CHCDHN Cc1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)c([O-])c1 ZINC000877303482 1125022091 /nfs/dbraw/zinc/02/20/91/1125022091.db2.gz IVBDOWARVHJOAV-UHFFFAOYSA-N 0 3 269.335 3.758 20 10 CHCDHN Cc1cccc(O)c1CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000877547072 1125043511 /nfs/dbraw/zinc/04/35/11/1125043511.db2.gz WLLAHJZTQNJWPJ-KRWDZBQOSA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)cccc1[O-])CC2 ZINC000877613133 1125054384 /nfs/dbraw/zinc/05/43/84/1125054384.db2.gz XUNXJOQRNISTNC-QGZVFWFLSA-N 0 3 267.372 3.786 20 10 CHCDHN Cc1ncc([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])s1 ZINC000877684933 1125062428 /nfs/dbraw/zinc/06/24/28/1125062428.db2.gz DITKDTFSOJHUAG-VIFPVBQESA-N 0 3 296.823 3.970 20 10 CHCDHN C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1[O-] ZINC000877758258 1125073874 /nfs/dbraw/zinc/07/38/74/1125073874.db2.gz PMTJIVYFMIKSRV-STQMWFEESA-N 0 3 292.382 3.692 20 10 CHCDHN Cc1cc(C)c(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)n1 ZINC000879649728 1125222929 /nfs/dbraw/zinc/22/29/29/1125222929.db2.gz FFOZSSRZSAPPHT-ZDUSSCGKSA-N 0 3 270.376 3.563 20 10 CHCDHN CCCC[NH+](CCCC)Cc1cccc(OC)c1[O-] ZINC000131558355 1125397753 /nfs/dbraw/zinc/39/77/53/1125397753.db2.gz HQGXTWGMQGMXJC-UHFFFAOYSA-N 0 3 265.397 3.803 20 10 CHCDHN C[C@H]([NH2+]C[C@]1(C)OCCc2ccccc21)c1ccccc1[O-] ZINC000883339972 1125397793 /nfs/dbraw/zinc/39/77/93/1125397793.db2.gz GNGKWDHMLZGUMQ-LIRRHRJNSA-N 0 3 297.398 3.531 20 10 CHCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000245555009 1129211606 /nfs/dbraw/zinc/21/16/06/1129211606.db2.gz HVCFHJHLHWILHV-HNAYVOBHSA-N 0 3 297.398 3.663 20 10 CHCDHN CC(C)C[C@H]1COCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000733790085 1129270540 /nfs/dbraw/zinc/27/05/40/1129270540.db2.gz FLRLAJUAPONNCW-INIZCTEOSA-N 0 3 299.414 3.792 20 10 CHCDHN CC(C)C[C@H]1COCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000733790085 1129270544 /nfs/dbraw/zinc/27/05/44/1129270544.db2.gz FLRLAJUAPONNCW-INIZCTEOSA-N 0 3 299.414 3.792 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC000038018568 1129321073 /nfs/dbraw/zinc/32/10/73/1129321073.db2.gz IJGDFTLTMGYXRI-UHFFFAOYSA-N 0 3 298.205 3.506 20 10 CHCDHN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2ccccc2O)o1 ZINC000091974433 1129376238 /nfs/dbraw/zinc/37/62/38/1129376238.db2.gz QFRVYBNEOQMGLH-IUODEOHRSA-N 0 3 271.360 3.741 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])C12CCCC2 ZINC000248388104 1129416032 /nfs/dbraw/zinc/41/60/32/1129416032.db2.gz QKQSUIJRXQZVQO-XOKHGSTOSA-N 0 3 289.419 3.781 20 10 CHCDHN CCS[C@@H]1CCCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093361815 1129422357 /nfs/dbraw/zinc/42/23/57/1129422357.db2.gz LUODKQAPHZCJHR-CQSZACIVSA-N 0 3 295.448 3.508 20 10 CHCDHN CCS[C@@H]1CCCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093361815 1129422358 /nfs/dbraw/zinc/42/23/58/1129422358.db2.gz LUODKQAPHZCJHR-CQSZACIVSA-N 0 3 295.448 3.508 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCO[C@H]2CC(C)C)c([O-])c1 ZINC000248589890 1129423834 /nfs/dbraw/zinc/42/38/34/1129423834.db2.gz YZMQTROSMSTNHR-ZVZYQTTQSA-N 0 3 291.435 3.945 20 10 CHCDHN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2[O-])C1 ZINC000093868832 1129428495 /nfs/dbraw/zinc/42/84/95/1129428495.db2.gz YRIXGWKYTNNNDG-KGLIPLIRSA-N 0 3 295.448 3.507 20 10 CHCDHN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C1 ZINC000093868832 1129428496 /nfs/dbraw/zinc/42/84/96/1129428496.db2.gz YRIXGWKYTNNNDG-KGLIPLIRSA-N 0 3 295.448 3.507 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000094616590 1129448467 /nfs/dbraw/zinc/44/84/67/1129448467.db2.gz QIJLTLIEWCNQRG-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000381283944 1129836090 /nfs/dbraw/zinc/83/60/90/1129836090.db2.gz LWNHWCQIMLOKDV-ZDUSSCGKSA-N 0 3 274.433 3.973 20 10 CHCDHN Cc1cncc([C@H](C)NCc2ccc(N(C)C)cc2C)c1 ZINC000768222604 1129844499 /nfs/dbraw/zinc/84/44/99/1129844499.db2.gz HBTBXGYIYGORTO-HNNXBMFYSA-N 0 3 283.419 3.615 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000768359290 1129853157 /nfs/dbraw/zinc/85/31/57/1129853157.db2.gz CCLYRLWIGDLLNG-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000768359290 1129853164 /nfs/dbraw/zinc/85/31/64/1129853164.db2.gz CCLYRLWIGDLLNG-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1cc(CN2CC[C@H]2c2ccccc2)c(O)cc1C ZINC000768439395 1129855789 /nfs/dbraw/zinc/85/57/89/1129855789.db2.gz LFAQBMQBQMXPTB-INIZCTEOSA-N 0 3 283.371 3.656 20 10 CHCDHN CCC1(CC)C[N@H+](Cc2c([O-])cccc2OC)CCS1 ZINC000768527170 1129860106 /nfs/dbraw/zinc/86/01/06/1129860106.db2.gz DCUMDSNJNPXEFU-UHFFFAOYSA-N 0 3 295.448 3.508 20 10 CHCDHN CCC1(CC)C[N@@H+](Cc2c([O-])cccc2OC)CCS1 ZINC000768527170 1129860110 /nfs/dbraw/zinc/86/01/10/1129860110.db2.gz DCUMDSNJNPXEFU-UHFFFAOYSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1ccc(C[NH2+]CC2CCC(F)(F)CC2)c([O-])c1 ZINC000800293576 1129864922 /nfs/dbraw/zinc/86/49/22/1129864922.db2.gz GMBQCCVJBNVCKT-UHFFFAOYSA-N 0 3 299.361 3.706 20 10 CHCDHN C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)Cc1ccccc1[O-] ZINC000768872113 1129878202 /nfs/dbraw/zinc/87/82/02/1129878202.db2.gz DAMXDRFWWYGICU-UHFFFAOYSA-N 0 3 297.398 3.738 20 10 CHCDHN C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)Cc1ccccc1[O-] ZINC000768872113 1129878207 /nfs/dbraw/zinc/87/82/07/1129878207.db2.gz DAMXDRFWWYGICU-UHFFFAOYSA-N 0 3 297.398 3.738 20 10 CHCDHN CCSCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000800492107 1129879551 /nfs/dbraw/zinc/87/95/51/1129879551.db2.gz BXSQCQSGCQTLTB-JQWIXIFHSA-N 0 3 283.412 3.812 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c1[O-] ZINC000769308699 1129901293 /nfs/dbraw/zinc/90/12/93/1129901293.db2.gz AXQAVYLIQRDKME-HNNXBMFYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C(C)(C)C)c1[O-] ZINC000769308699 1129901294 /nfs/dbraw/zinc/90/12/94/1129901294.db2.gz AXQAVYLIQRDKME-HNNXBMFYSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000384283162 1129905780 /nfs/dbraw/zinc/90/57/80/1129905780.db2.gz OTRASADWMMJYME-MFKMUULPSA-N 0 3 283.799 3.675 20 10 CHCDHN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000384283162 1129905781 /nfs/dbraw/zinc/90/57/81/1129905781.db2.gz OTRASADWMMJYME-MFKMUULPSA-N 0 3 283.799 3.675 20 10 CHCDHN C[C@@H]1CSCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769428278 1129908035 /nfs/dbraw/zinc/90/80/35/1129908035.db2.gz PNOFHKFNPMALDG-CQSZACIVSA-N 0 3 299.439 3.997 20 10 CHCDHN C[C@@H]1CSCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769428278 1129908037 /nfs/dbraw/zinc/90/80/37/1129908037.db2.gz PNOFHKFNPMALDG-CQSZACIVSA-N 0 3 299.439 3.997 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000769445513 1129910454 /nfs/dbraw/zinc/91/04/54/1129910454.db2.gz JZAOPGGSILOFLB-GDBMZVCRSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000769445513 1129910456 /nfs/dbraw/zinc/91/04/56/1129910456.db2.gz JZAOPGGSILOFLB-GDBMZVCRSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000769464470 1129912068 /nfs/dbraw/zinc/91/20/68/1129912068.db2.gz YCUDGPGEHSRCAT-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000769464470 1129912070 /nfs/dbraw/zinc/91/20/70/1129912070.db2.gz YCUDGPGEHSRCAT-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769466980 1129912106 /nfs/dbraw/zinc/91/21/06/1129912106.db2.gz RRQWXLZEPHOYEJ-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769466980 1129912109 /nfs/dbraw/zinc/91/21/09/1129912109.db2.gz RRQWXLZEPHOYEJ-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[NH+]2C3CCCC2CCC3)c([O-])c1 ZINC000769498050 1129914339 /nfs/dbraw/zinc/91/43/39/1129914339.db2.gz DOOMAGXWXOJBRV-UHFFFAOYSA-N 0 3 275.392 3.698 20 10 CHCDHN CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769536644 1129916374 /nfs/dbraw/zinc/91/63/74/1129916374.db2.gz CEAKINSKSOFHON-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769536644 1129916376 /nfs/dbraw/zinc/91/63/76/1129916376.db2.gz CEAKINSKSOFHON-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN Cc1ccc(SC[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000769934420 1129933493 /nfs/dbraw/zinc/93/34/93/1129933493.db2.gz DNMHDSKHCPSTPK-CQSZACIVSA-N 0 3 287.428 3.971 20 10 CHCDHN Cc1ccc(SC[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000769934419 1129933615 /nfs/dbraw/zinc/93/36/15/1129933615.db2.gz DNMHDSKHCPSTPK-AWEZNQCLSA-N 0 3 287.428 3.971 20 10 CHCDHN COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000770505242 1129947872 /nfs/dbraw/zinc/94/78/72/1129947872.db2.gz KZHDLDSSFRLPOZ-HNNXBMFYSA-N 0 3 299.414 3.711 20 10 CHCDHN COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000770505242 1129947874 /nfs/dbraw/zinc/94/78/74/1129947874.db2.gz KZHDLDSSFRLPOZ-HNNXBMFYSA-N 0 3 299.414 3.711 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000770739385 1129957495 /nfs/dbraw/zinc/95/74/95/1129957495.db2.gz AHKFFORCXGPSFT-DOTOQJQBSA-N 0 3 297.398 3.827 20 10 CHCDHN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000771388967 1129979597 /nfs/dbraw/zinc/97/95/97/1129979597.db2.gz QDRVGEMFXCQVRI-GJZGRUSLSA-N 0 3 283.419 3.868 20 10 CHCDHN C[C@H](NCc1ccnc(Cl)c1Cl)c1ccccc1O ZINC001461732575 1130000061 /nfs/dbraw/zinc/00/00/61/1130000061.db2.gz VHOPISNIDUJYLX-VIFPVBQESA-N 0 3 297.185 3.945 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C2CCOCC2)c1 ZINC000903244339 1130135230 /nfs/dbraw/zinc/13/52/30/1130135230.db2.gz RMBQSSJHWMUBLM-CQSZACIVSA-N 0 3 291.435 3.804 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(C)cc1[O-] ZINC000903261984 1130139434 /nfs/dbraw/zinc/13/94/34/1130139434.db2.gz AKSNFOZJVZJDSN-XIRDDKMYSA-N 0 3 291.435 3.683 20 10 CHCDHN CCc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000787263153 1130143847 /nfs/dbraw/zinc/14/38/47/1130143847.db2.gz DAEDPHPUVMHMBC-UHFFFAOYSA-N 0 3 255.361 3.587 20 10 CHCDHN CCc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000787263153 1130143849 /nfs/dbraw/zinc/14/38/49/1130143849.db2.gz DAEDPHPUVMHMBC-UHFFFAOYSA-N 0 3 255.361 3.587 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000903333095 1130158504 /nfs/dbraw/zinc/15/85/04/1130158504.db2.gz NNZODHAEGNDEND-NWDGAFQWSA-N 0 3 269.335 3.868 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccccc1[O-] ZINC000903335471 1130160663 /nfs/dbraw/zinc/16/06/63/1130160663.db2.gz QEPGTBCKIVXGFG-CRAIPNDOSA-N 0 3 282.387 3.979 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)CC2 ZINC000903339762 1130162370 /nfs/dbraw/zinc/16/23/70/1130162370.db2.gz CWZILQKZPLDUNX-DGCLKSJQSA-N 0 3 281.346 3.795 20 10 CHCDHN Oc1ccccc1CNCc1cc(F)c(Cl)cc1F ZINC000788531923 1130194262 /nfs/dbraw/zinc/19/42/62/1130194262.db2.gz HVQMJCKCGYXPQX-UHFFFAOYSA-N 0 3 283.705 3.614 20 10 CHCDHN CC(C)CCC[C@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001170088534 1130204399 /nfs/dbraw/zinc/20/43/99/1130204399.db2.gz UVELUXMLQYVNDL-AWEZNQCLSA-N 0 3 261.409 3.965 20 10 CHCDHN CC(C)CCC[C@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001170088534 1130204402 /nfs/dbraw/zinc/20/44/02/1130204402.db2.gz UVELUXMLQYVNDL-AWEZNQCLSA-N 0 3 261.409 3.965 20 10 CHCDHN C[C@@H]1CC[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000789327835 1130244305 /nfs/dbraw/zinc/24/43/05/1130244305.db2.gz XAQJEBUMEVYVEH-RHSMWYFYSA-N 0 3 289.419 3.704 20 10 CHCDHN C[C@@H]1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000789327835 1130244307 /nfs/dbraw/zinc/24/43/07/1130244307.db2.gz XAQJEBUMEVYVEH-RHSMWYFYSA-N 0 3 289.419 3.704 20 10 CHCDHN CCOC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000789590335 1130262098 /nfs/dbraw/zinc/26/20/98/1130262098.db2.gz XNEWYKWKWMLEIN-CQSZACIVSA-N 0 3 285.815 3.505 20 10 CHCDHN C[N@H+](Cc1c[nH]c2ccc(F)cc12)Cc1ccccc1[O-] ZINC001137341273 1130430918 /nfs/dbraw/zinc/43/09/18/1130430918.db2.gz GEDMGVQWDXNQIZ-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN C[N@@H+](Cc1c[nH]c2ccc(F)cc12)Cc1ccccc1[O-] ZINC001137341273 1130430921 /nfs/dbraw/zinc/43/09/21/1130430921.db2.gz GEDMGVQWDXNQIZ-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN COCCC(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000747100159 1130517484 /nfs/dbraw/zinc/51/74/84/1130517484.db2.gz BIVCDJDZXLORSN-UHFFFAOYSA-N 0 3 299.414 3.964 20 10 CHCDHN COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000793233880 1130532799 /nfs/dbraw/zinc/53/27/99/1130532799.db2.gz WEZSZUHMDFVBCP-SFHVURJKSA-N 0 3 299.414 3.520 20 10 CHCDHN CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000793340502 1130540954 /nfs/dbraw/zinc/54/09/54/1130540954.db2.gz PCPNCASGROVWPV-MRXNPFEDSA-N 0 3 297.826 3.745 20 10 CHCDHN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000793340502 1130540955 /nfs/dbraw/zinc/54/09/55/1130540955.db2.gz PCPNCASGROVWPV-MRXNPFEDSA-N 0 3 297.826 3.745 20 10 CHCDHN Cc1cc(C)c(O)c(CN2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000793569071 1130570968 /nfs/dbraw/zinc/57/09/68/1130570968.db2.gz BPYGZIHOAIEHCL-GOSISDBHSA-N 0 3 296.414 3.987 20 10 CHCDHN CC1(C)[C@@H]([NH2+]Cc2ccccc2[O-])C[C@@H]1Oc1ccccc1 ZINC000793530159 1130572126 /nfs/dbraw/zinc/57/21/26/1130572126.db2.gz ZEXUNRJJHULZPE-ROUUACIJSA-N 0 3 297.398 3.728 20 10 CHCDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(CCC4)C3)c2c1 ZINC001234526310 1130654596 /nfs/dbraw/zinc/65/45/96/1130654596.db2.gz SSMNMLBYQHTORC-UHFFFAOYSA-N 0 3 283.371 3.540 20 10 CHCDHN COC[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998000 1130700857 /nfs/dbraw/zinc/70/08/57/1130700857.db2.gz GZFOBRRJUPYQDY-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN COC[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998000 1130700863 /nfs/dbraw/zinc/70/08/63/1130700863.db2.gz GZFOBRRJUPYQDY-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN CCN(CCC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000781144869 1130705302 /nfs/dbraw/zinc/70/53/02/1130705302.db2.gz STAWIVIQMUDBGV-UHFFFAOYSA-N 0 3 274.330 3.527 20 10 CHCDHN C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000781927306 1130748781 /nfs/dbraw/zinc/74/87/81/1130748781.db2.gz DJJVUXIMGUEQBO-MLGOLLRUSA-N 0 3 263.356 3.543 20 10 CHCDHN C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000781927306 1130748788 /nfs/dbraw/zinc/74/87/88/1130748788.db2.gz DJJVUXIMGUEQBO-MLGOLLRUSA-N 0 3 263.356 3.543 20 10 CHCDHN CCC[N@H+](CCOC)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676931 1130766056 /nfs/dbraw/zinc/76/60/56/1130766056.db2.gz XQLJTAAGYSSWEI-UHFFFAOYSA-N 0 3 279.424 3.548 20 10 CHCDHN CCC[N@@H+](CCOC)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676931 1130766062 /nfs/dbraw/zinc/76/60/62/1130766062.db2.gz XQLJTAAGYSSWEI-UHFFFAOYSA-N 0 3 279.424 3.548 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001235678433 1130767050 /nfs/dbraw/zinc/76/70/50/1130767050.db2.gz CBNKZHJULVKFMK-UHFFFAOYSA-N 0 3 259.393 3.676 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001235678433 1130767055 /nfs/dbraw/zinc/76/70/55/1130767055.db2.gz CBNKZHJULVKFMK-UHFFFAOYSA-N 0 3 259.393 3.676 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC(C)(C)C2)c([O-])c1 ZINC001235684748 1130767070 /nfs/dbraw/zinc/76/70/70/1130767070.db2.gz JNEWNSQPCXCIOV-UHFFFAOYSA-N 0 3 261.409 3.922 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CCC(C)(C)C2)c([O-])c1 ZINC001235684748 1130767076 /nfs/dbraw/zinc/76/70/76/1130767076.db2.gz JNEWNSQPCXCIOV-UHFFFAOYSA-N 0 3 261.409 3.922 20 10 CHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000813790472 1130785156 /nfs/dbraw/zinc/78/51/56/1130785156.db2.gz RSNSRKOBYBTZAW-QGZVFWFLSA-N 0 3 297.398 3.876 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccccc1[O-] ZINC000783505927 1130830879 /nfs/dbraw/zinc/83/08/79/1130830879.db2.gz ROAVZRLOBIPNKB-AWEZNQCLSA-N 0 3 292.382 3.834 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000783508736 1130831487 /nfs/dbraw/zinc/83/14/87/1130831487.db2.gz KQTZGACBWVIIDO-CHWSQXEVSA-N 0 3 273.351 3.986 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCc2ncsc2C1 ZINC000783545901 1130836586 /nfs/dbraw/zinc/83/65/86/1130836586.db2.gz GMFCUWDNPFWIJS-UHFFFAOYSA-N 0 3 296.395 3.560 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCc2ncsc2C1 ZINC000783545901 1130836591 /nfs/dbraw/zinc/83/65/91/1130836591.db2.gz GMFCUWDNPFWIJS-UHFFFAOYSA-N 0 3 296.395 3.560 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000814297640 1130861274 /nfs/dbraw/zinc/86/12/74/1130861274.db2.gz JXJRNYJAAGLCLG-MRXNPFEDSA-N 0 3 297.398 3.684 20 10 CHCDHN CCC[N@H+](Cc1ccc2ccccc2c1[O-])C1CCNCC1 ZINC001236183937 1130882014 /nfs/dbraw/zinc/88/20/14/1130882014.db2.gz CGFOHMDRKCFTAS-UHFFFAOYSA-N 0 3 298.430 3.509 20 10 CHCDHN CCC[N@@H+](Cc1ccc2ccccc2c1[O-])C1CCNCC1 ZINC001236183937 1130882019 /nfs/dbraw/zinc/88/20/19/1130882019.db2.gz CGFOHMDRKCFTAS-UHFFFAOYSA-N 0 3 298.430 3.509 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000784662304 1130916095 /nfs/dbraw/zinc/91/60/95/1130916095.db2.gz JBVARIKDYOYDBG-HNNXBMFYSA-N 0 3 297.398 3.575 20 10 CHCDHN Cc1cc([C@@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)on1 ZINC000815018723 1130950697 /nfs/dbraw/zinc/95/06/97/1130950697.db2.gz ZDWOPPLBDYLDDE-KRWDZBQOSA-N 0 3 299.418 3.695 20 10 CHCDHN Cc1cc(CN(Cc2ccccn2)C(C)C)ccc1N(C)C ZINC000815020857 1130950831 /nfs/dbraw/zinc/95/08/31/1130950831.db2.gz JCPLATVUWUHGNQ-UHFFFAOYSA-N 0 3 297.446 3.867 20 10 CHCDHN CCc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000797027761 1130953980 /nfs/dbraw/zinc/95/39/80/1130953980.db2.gz VHCLCYLZTCMZDE-AUUYWEPGSA-N 0 3 299.414 3.647 20 10 CHCDHN Cc1sccc1CNCc1ccc2c(c1)CCCN2C ZINC000815121862 1130960120 /nfs/dbraw/zinc/96/01/20/1130960120.db2.gz FHYHMFBGJUJKCT-UHFFFAOYSA-N 0 3 286.444 3.729 20 10 CHCDHN COC1CCC(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815586752 1131004848 /nfs/dbraw/zinc/00/48/48/1131004848.db2.gz PZTXRNAKOODJPN-QQFBHYJXSA-N 0 3 291.435 3.865 20 10 CHCDHN CCc1ccc(C[NH+]2CCC3(CC(F)C3)CC2)c([O-])c1 ZINC001236786823 1131006354 /nfs/dbraw/zinc/00/63/54/1131006354.db2.gz PRVHFSGKBWOTDL-UHFFFAOYSA-N 0 3 277.383 3.669 20 10 CHCDHN CCc1ccc(CN2CCc3ccc(OC)cc3C2)c(O)c1 ZINC001236783258 1131006471 /nfs/dbraw/zinc/00/64/71/1131006471.db2.gz IXBWKELFMFYJMB-UHFFFAOYSA-N 0 3 297.398 3.522 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC001236786364 1131007769 /nfs/dbraw/zinc/00/77/69/1131007769.db2.gz ANQNEJXIZNDMPM-UHFFFAOYSA-N 0 3 298.430 3.653 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC001236786364 1131007775 /nfs/dbraw/zinc/00/77/75/1131007775.db2.gz ANQNEJXIZNDMPM-UHFFFAOYSA-N 0 3 298.430 3.653 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001236812603 1131010958 /nfs/dbraw/zinc/01/09/58/1131010958.db2.gz CBZSORPOTYRJOW-HUUCEWRRSA-N 0 3 289.419 3.721 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001236812603 1131010964 /nfs/dbraw/zinc/01/09/64/1131010964.db2.gz CBZSORPOTYRJOW-HUUCEWRRSA-N 0 3 289.419 3.721 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001236828082 1131015639 /nfs/dbraw/zinc/01/56/39/1131015639.db2.gz ZSQDKUSRMUIAKK-LIRRHRJNSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001236828082 1131015645 /nfs/dbraw/zinc/01/56/45/1131015645.db2.gz ZSQDKUSRMUIAKK-LIRRHRJNSA-N 0 3 297.398 3.546 20 10 CHCDHN CC1(C)C[N@H+](Cc2cc3ccccc3cc2[O-])[C@](C)(CO)C1 ZINC001236826780 1131016871 /nfs/dbraw/zinc/01/68/71/1131016871.db2.gz MWGBNDFSJNIRIG-IBGZPJMESA-N 0 3 299.414 3.528 20 10 CHCDHN CC1(C)C[N@@H+](Cc2cc3ccccc3cc2[O-])[C@](C)(CO)C1 ZINC001236826780 1131016875 /nfs/dbraw/zinc/01/68/75/1131016875.db2.gz MWGBNDFSJNIRIG-IBGZPJMESA-N 0 3 299.414 3.528 20 10 CHCDHN CO[C@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])[C@@H](C)C1 ZINC001236834596 1131018619 /nfs/dbraw/zinc/01/86/19/1131018619.db2.gz BWPNZEOVYJUOCV-GUYCJALGSA-N 0 3 285.387 3.545 20 10 CHCDHN CO[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])[C@@H](C)C1 ZINC001236834596 1131018625 /nfs/dbraw/zinc/01/86/25/1131018625.db2.gz BWPNZEOVYJUOCV-GUYCJALGSA-N 0 3 285.387 3.545 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001237046512 1131041260 /nfs/dbraw/zinc/04/12/60/1131041260.db2.gz OGPCHRFQGRITHB-HUUCEWRRSA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001237046512 1131041264 /nfs/dbraw/zinc/04/12/64/1131041264.db2.gz OGPCHRFQGRITHB-HUUCEWRRSA-N 0 3 289.419 3.803 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)c([O-])c1 ZINC001237046653 1131041641 /nfs/dbraw/zinc/04/16/41/1131041641.db2.gz UWOCAHWFLVNMMI-INIZCTEOSA-N 0 3 265.372 3.697 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@](C)(CF)C2)c([O-])c1 ZINC001237046653 1131041647 /nfs/dbraw/zinc/04/16/47/1131041647.db2.gz UWOCAHWFLVNMMI-INIZCTEOSA-N 0 3 265.372 3.697 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CC3(C2)CCCC3)c([O-])c1 ZINC001237046147 1131041734 /nfs/dbraw/zinc/04/17/34/1131041734.db2.gz QNHJVGONMLCIQM-UHFFFAOYSA-N 0 3 259.393 3.892 20 10 CHCDHN CC(C)c1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC001237050003 1131041943 /nfs/dbraw/zinc/04/19/43/1131041943.db2.gz VJOMOGJUEMARRJ-ZIAGYGMSSA-N 0 3 261.409 3.994 20 10 CHCDHN CCCO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051543 1131042008 /nfs/dbraw/zinc/04/20/08/1131042008.db2.gz NIVCUFXAIHDYPG-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CCCO[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051543 1131042013 /nfs/dbraw/zinc/04/20/13/1131042013.db2.gz NIVCUFXAIHDYPG-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+](C)C[C@H]2CCCCO2)c([O-])c1 ZINC001237053280 1131042567 /nfs/dbraw/zinc/04/25/67/1131042567.db2.gz ICYFCAYMUARMFE-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCCCO2)c([O-])c1 ZINC001237053280 1131042572 /nfs/dbraw/zinc/04/25/72/1131042572.db2.gz ICYFCAYMUARMFE-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CCN(Cc1cccnc1)Cc1ccc(C(C)C)cc1O ZINC001237053611 1131043644 /nfs/dbraw/zinc/04/36/44/1131043644.db2.gz OOWMDURYACUCRJ-UHFFFAOYSA-N 0 3 284.403 3.933 20 10 CHCDHN Cc1ccc(CN(C)Cc2ccc(C(C)C)cc2O)cn1 ZINC001237054977 1131043813 /nfs/dbraw/zinc/04/38/13/1131043813.db2.gz KGABFJQTRAMLTD-UHFFFAOYSA-N 0 3 284.403 3.851 20 10 CHCDHN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237115375 1131053261 /nfs/dbraw/zinc/05/32/61/1131053261.db2.gz SCJKSMPALLGNKS-SNVBAGLBSA-N 0 3 289.297 3.523 20 10 CHCDHN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237115375 1131053267 /nfs/dbraw/zinc/05/32/67/1131053267.db2.gz SCJKSMPALLGNKS-SNVBAGLBSA-N 0 3 289.297 3.523 20 10 CHCDHN C[C@@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237115375 1131053273 /nfs/dbraw/zinc/05/32/73/1131053273.db2.gz SCJKSMPALLGNKS-SNVBAGLBSA-N 0 3 289.297 3.523 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccccc1[O-] ZINC000798938300 1131063677 /nfs/dbraw/zinc/06/36/77/1131063677.db2.gz WIUOMNMBENMJQL-RDJZCZTQSA-N 0 3 291.435 3.622 20 10 CHCDHN Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000798960153 1131065445 /nfs/dbraw/zinc/06/54/45/1131065445.db2.gz SKKVYSCEKVQNFQ-SAZUREKKSA-N 0 3 285.362 3.876 20 10 CHCDHN CSCCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000798963844 1131067340 /nfs/dbraw/zinc/06/73/40/1131067340.db2.gz JZXARNZVNAHJLN-UHFFFAOYSA-N 0 3 275.417 3.730 20 10 CHCDHN CSCCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000798963844 1131067344 /nfs/dbraw/zinc/06/73/44/1131067344.db2.gz JZXARNZVNAHJLN-UHFFFAOYSA-N 0 3 275.417 3.730 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)CCc1ccc(F)cc1 ZINC001237487351 1131103696 /nfs/dbraw/zinc/10/36/96/1131103696.db2.gz ICVVERZCEIRQRF-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)CCc1ccc(F)cc1 ZINC001237487351 1131103700 /nfs/dbraw/zinc/10/37/00/1131103700.db2.gz ICVVERZCEIRQRF-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001237487772 1131104436 /nfs/dbraw/zinc/10/44/36/1131104436.db2.gz MXYDMWRCFWLGKN-HOCLYGCPSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001237487772 1131104438 /nfs/dbraw/zinc/10/44/38/1131104438.db2.gz MXYDMWRCFWLGKN-HOCLYGCPSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001237489826 1131104634 /nfs/dbraw/zinc/10/46/34/1131104634.db2.gz LFEQVZRZVGTBCH-AWEZNQCLSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001237489826 1131104639 /nfs/dbraw/zinc/10/46/39/1131104639.db2.gz LFEQVZRZVGTBCH-AWEZNQCLSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCCc2ccccc2C1 ZINC001237488246 1131104968 /nfs/dbraw/zinc/10/49/68/1131104968.db2.gz SMJWMDRIJBQGLF-UHFFFAOYSA-N 0 3 267.372 3.649 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCCc2ccccc2C1 ZINC001237488246 1131104974 /nfs/dbraw/zinc/10/49/74/1131104974.db2.gz SMJWMDRIJBQGLF-UHFFFAOYSA-N 0 3 267.372 3.649 20 10 CHCDHN COc1ccc([C@H]2CC[N@H+](Cc3c(C)cccc3[O-])C2)cc1 ZINC001237491613 1131105159 /nfs/dbraw/zinc/10/51/59/1131105159.db2.gz KGLGWFWWHNNLRQ-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1ccc([C@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C2)cc1 ZINC001237491613 1131105162 /nfs/dbraw/zinc/10/51/62/1131105162.db2.gz KGLGWFWWHNNLRQ-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN CCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])CC1CC1 ZINC001237684034 1131127119 /nfs/dbraw/zinc/12/71/19/1131127119.db2.gz GBBZARLMLQQWAZ-UHFFFAOYSA-N 0 3 267.800 3.976 20 10 CHCDHN CCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])CC1CC1 ZINC001237684034 1131127120 /nfs/dbraw/zinc/12/71/20/1131127120.db2.gz GBBZARLMLQQWAZ-UHFFFAOYSA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1[O-] ZINC001237681799 1131127367 /nfs/dbraw/zinc/12/73/67/1131127367.db2.gz SHSXDIZWBBZBBM-VXGBXAGGSA-N 0 3 265.784 3.586 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccccc1[O-] ZINC000817411365 1131160899 /nfs/dbraw/zinc/16/08/99/1131160899.db2.gz QMKHAAAPJBQRQB-UKRRQHHQSA-N 0 3 291.460 3.966 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c1[O-] ZINC001238067375 1131167144 /nfs/dbraw/zinc/16/71/44/1131167144.db2.gz SUUUVFQHOZVVDU-KRWDZBQOSA-N 0 3 285.362 3.959 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)[C@H]2CCc3ccccc32)c1[O-] ZINC001238067375 1131167146 /nfs/dbraw/zinc/16/71/46/1131167146.db2.gz SUUUVFQHOZVVDU-KRWDZBQOSA-N 0 3 285.362 3.959 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1[O-] ZINC001238060178 1131167238 /nfs/dbraw/zinc/16/72/38/1131167238.db2.gz GEWHQFNVSHVILD-UHFFFAOYSA-N 0 3 299.336 3.851 20 10 CHCDHN CCCC[C@H](CN)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817962244 1131192891 /nfs/dbraw/zinc/19/28/91/1131192891.db2.gz JUWINJSGYVBXRE-UKRRQHHQSA-N 0 3 286.419 3.714 20 10 CHCDHN Oc1cccc2c1[C@H](N[C@H]1C[C@]1(F)c1ccccc1)CC2 ZINC000818356843 1131211444 /nfs/dbraw/zinc/21/14/44/1131211444.db2.gz RMNOQENYWYGTRX-HFTRVMKXSA-N 0 3 283.346 3.606 20 10 CHCDHN Oc1ccc(-c2ccccc2)cc1CN1CC[C@H](F)C1 ZINC000824572513 1131474530 /nfs/dbraw/zinc/47/45/30/1131474530.db2.gz YUBKPTKPLNMRIC-INIZCTEOSA-N 0 3 271.335 3.603 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](F)C1 ZINC000824572513 1131474533 /nfs/dbraw/zinc/47/45/33/1131474533.db2.gz YUBKPTKPLNMRIC-INIZCTEOSA-N 0 3 271.335 3.603 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](F)C1 ZINC000824572513 1131474537 /nfs/dbraw/zinc/47/45/37/1131474537.db2.gz YUBKPTKPLNMRIC-INIZCTEOSA-N 0 3 271.335 3.603 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC2(F)F)c1[O-] ZINC000824800287 1131485038 /nfs/dbraw/zinc/48/50/38/1131485038.db2.gz VTMYWKVGGVZIQQ-NSHDSACASA-N 0 3 289.753 3.879 20 10 CHCDHN CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])CC1(C)C ZINC000824821299 1131485517 /nfs/dbraw/zinc/48/55/17/1131485517.db2.gz XWENKISOBFXSFX-AWEZNQCLSA-N 0 3 297.826 3.601 20 10 CHCDHN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CC1(C)C ZINC000824821299 1131485521 /nfs/dbraw/zinc/48/55/21/1131485521.db2.gz XWENKISOBFXSFX-AWEZNQCLSA-N 0 3 297.826 3.601 20 10 CHCDHN CN(Cc1ccsc1)Cc1ccc2c(c1)CCCN2C ZINC001138356095 1131494235 /nfs/dbraw/zinc/49/42/35/1131494235.db2.gz HJYCRBORPGZACF-UHFFFAOYSA-N 0 3 286.444 3.763 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C2(C3(C)CC3)CC2)c1[O-] ZINC000825124866 1131500248 /nfs/dbraw/zinc/50/02/48/1131500248.db2.gz ZUTATKBCCNISGB-UHFFFAOYSA-N 0 3 265.784 3.776 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1cc3ccccc3o1)CC2 ZINC001139064306 1131578674 /nfs/dbraw/zinc/57/86/74/1131578674.db2.gz ZORUZXOKDNOUSR-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC001139064306 1131578677 /nfs/dbraw/zinc/57/86/77/1131578677.db2.gz ZORUZXOKDNOUSR-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN C[N@H+](C/C=C/c1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140059168 1131659503 /nfs/dbraw/zinc/65/95/03/1131659503.db2.gz WVFOALFAJDEGDF-VMPITWQZSA-N 0 3 271.335 3.677 20 10 CHCDHN C[N@@H+](C/C=C/c1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140059168 1131659504 /nfs/dbraw/zinc/65/95/04/1131659504.db2.gz WVFOALFAJDEGDF-VMPITWQZSA-N 0 3 271.335 3.677 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOC1CCCCCC1)CC2 ZINC000834595323 1131686223 /nfs/dbraw/zinc/68/62/23/1131686223.db2.gz XPZUVFLXRRPFMK-MRXNPFEDSA-N 0 3 289.419 3.709 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CC(c3ccccc3)C1)CC2 ZINC000834640976 1131690269 /nfs/dbraw/zinc/69/02/69/1131690269.db2.gz VDEFTRSLHISLCA-OFLPRAFFSA-N 0 3 279.383 3.915 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cc3ccccc3o1)CC2 ZINC000834663995 1131691591 /nfs/dbraw/zinc/69/15/91/1131691591.db2.gz LRNAFJGKKDNRKQ-INIZCTEOSA-N 0 3 293.366 3.958 20 10 CHCDHN C[C@]1(CC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@]1(F)Cl ZINC000846184285 1131697795 /nfs/dbraw/zinc/69/77/95/1131697795.db2.gz JLMWVOXKMZKOTB-BYCMXARLSA-N 0 3 283.774 3.674 20 10 CHCDHN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000846200621 1131699665 /nfs/dbraw/zinc/69/96/65/1131699665.db2.gz GOWSUFYEIJDJSZ-BPGGGUHBSA-N 0 3 293.382 3.627 20 10 CHCDHN CSc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834790557 1131705194 /nfs/dbraw/zinc/70/51/94/1131705194.db2.gz RXSOGXBYCHIYDK-INIZCTEOSA-N 0 3 299.439 3.934 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC000834793988 1131706018 /nfs/dbraw/zinc/70/60/18/1131706018.db2.gz LOGGGDUKXSVCHI-CVEARBPZSA-N 0 3 299.801 3.790 20 10 CHCDHN COCC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCCCC1 ZINC000834807936 1131706390 /nfs/dbraw/zinc/70/63/90/1131706390.db2.gz VBHHMOKFOIRDDL-HNNXBMFYSA-N 0 3 289.419 3.566 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)c1[O-] ZINC000834877061 1131716197 /nfs/dbraw/zinc/71/61/97/1131716197.db2.gz SGEQJLZFJAMUST-MNOVXSKESA-N 0 3 285.815 3.554 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000834882429 1131716480 /nfs/dbraw/zinc/71/64/80/1131716480.db2.gz JVXMDQORWLRIAK-LSDHHAIUSA-N 0 3 289.419 3.701 20 10 CHCDHN CO[C@](C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834885989 1131718442 /nfs/dbraw/zinc/71/84/42/1131718442.db2.gz ZCRXIGBQSLMVPI-VQIMIIECSA-N 0 3 297.398 3.531 20 10 CHCDHN CO[C@@](C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834885983 1131718497 /nfs/dbraw/zinc/71/84/97/1131718497.db2.gz ZCRXIGBQSLMVPI-APWZRJJASA-N 0 3 297.398 3.531 20 10 CHCDHN CC[C@@H](N[C@H](C)c1nccn1CC)c1ccc(C)cc1O ZINC000834897182 1131721747 /nfs/dbraw/zinc/72/17/47/1131721747.db2.gz YLMHBZVYPRBFCT-UKRRQHHQSA-N 0 3 287.407 3.719 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H]2CCOC2)c1[O-] ZINC000834906621 1131729229 /nfs/dbraw/zinc/72/92/29/1131729229.db2.gz YOVRQTABWLWIMD-STQMWFEESA-N 0 3 297.826 3.821 20 10 CHCDHN CC(C)(C)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000232491102 1131779071 /nfs/dbraw/zinc/77/90/71/1131779071.db2.gz RCDLQYARVQQKJW-UHFFFAOYSA-N 0 3 265.372 3.789 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(F)ccc1C ZINC001140594846 1131817215 /nfs/dbraw/zinc/81/72/15/1131817215.db2.gz RLDTXWOKBIKBTR-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(F)ccc1C ZINC001140594846 1131817224 /nfs/dbraw/zinc/81/72/24/1131817224.db2.gz RLDTXWOKBIKBTR-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN Cc1c(O)ccc(C[NH+](CC(C)C)CC(C)C)c1[O-] ZINC001140742746 1131905750 /nfs/dbraw/zinc/90/57/50/1131905750.db2.gz XMJONMJYFRDJHB-UHFFFAOYSA-N 0 3 265.397 3.520 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001140949540 1131969769 /nfs/dbraw/zinc/96/97/69/1131969769.db2.gz CZNXNIUBLISWRE-SFHVURJKSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001140949540 1131969773 /nfs/dbraw/zinc/96/97/73/1131969773.db2.gz CZNXNIUBLISWRE-SFHVURJKSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccc(C[N@H+](C)CCc2ccc(F)cc2)c([O-])c1 ZINC001140951035 1131972418 /nfs/dbraw/zinc/97/24/18/1131972418.db2.gz VKZLKFGMEUBHBP-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)c([O-])c1 ZINC001140951035 1131972421 /nfs/dbraw/zinc/97/24/21/1131972421.db2.gz VKZLKFGMEUBHBP-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1cc(CN2CCc3cccc(O)c3C2)ccc1Cl ZINC001141236486 1132054291 /nfs/dbraw/zinc/05/42/91/1132054291.db2.gz SJHZLLGROPIKKE-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CSc2ccccc2C1 ZINC001172206334 1132141147 /nfs/dbraw/zinc/14/11/47/1132141147.db2.gz OQUYIILFLMYUSQ-OAHLLOKOSA-N 0 3 285.412 3.541 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CSc2ccccc2C1 ZINC001172206334 1132141149 /nfs/dbraw/zinc/14/11/49/1132141149.db2.gz OQUYIILFLMYUSQ-OAHLLOKOSA-N 0 3 285.412 3.541 20 10 CHCDHN C[N@H+](Cc1ccc(C2CC2)cc1)Cc1ccccc1[O-] ZINC000838800194 1132147902 /nfs/dbraw/zinc/14/79/02/1132147902.db2.gz SMPKDMMKGGJCPA-UHFFFAOYSA-N 0 3 267.372 3.902 20 10 CHCDHN C[N@@H+](Cc1ccc(C2CC2)cc1)Cc1ccccc1[O-] ZINC000838800194 1132147905 /nfs/dbraw/zinc/14/79/05/1132147905.db2.gz SMPKDMMKGGJCPA-UHFFFAOYSA-N 0 3 267.372 3.902 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139942 1132184555 /nfs/dbraw/zinc/18/45/55/1132184555.db2.gz LTHIXPDGJXVEEP-UHFFFAOYSA-N 0 3 297.373 3.993 20 10 CHCDHN COC1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000840791681 1132288295 /nfs/dbraw/zinc/28/82/95/1132288295.db2.gz BVCWBOXFIZPTEW-WLYUNCDWSA-N 0 3 277.408 3.617 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C1CC(C)(C)OC(C)(C)C1 ZINC001172660777 1132292635 /nfs/dbraw/zinc/29/26/35/1132292635.db2.gz XHFBSXLXVLQCNI-UHFFFAOYSA-N 0 3 277.408 3.560 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C1CC(C)(C)OC(C)(C)C1 ZINC001172660777 1132292639 /nfs/dbraw/zinc/29/26/39/1132292639.db2.gz XHFBSXLXVLQCNI-UHFFFAOYSA-N 0 3 277.408 3.560 20 10 CHCDHN COCC1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000840875839 1132300789 /nfs/dbraw/zinc/30/07/89/1132300789.db2.gz JMOZRVBVKLUPLV-FHERZECASA-N 0 3 291.435 3.865 20 10 CHCDHN CCCCN(Cc1cnc(CC)nc1)Cc1ccccc1O ZINC000840943189 1132312084 /nfs/dbraw/zinc/31/20/84/1132312084.db2.gz KYIOQJFYMUHGPK-UHFFFAOYSA-N 0 3 299.418 3.547 20 10 CHCDHN CCCC[N@H+](Cc1cnc(CC)nc1)Cc1ccccc1[O-] ZINC000840943189 1132312088 /nfs/dbraw/zinc/31/20/88/1132312088.db2.gz KYIOQJFYMUHGPK-UHFFFAOYSA-N 0 3 299.418 3.547 20 10 CHCDHN CCCC[N@@H+](Cc1cnc(CC)nc1)Cc1ccccc1[O-] ZINC000840943189 1132312093 /nfs/dbraw/zinc/31/20/93/1132312093.db2.gz KYIOQJFYMUHGPK-UHFFFAOYSA-N 0 3 299.418 3.547 20 10 CHCDHN CO[C@@](C)([C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000840961473 1132313531 /nfs/dbraw/zinc/31/35/31/1132313531.db2.gz WPUFTIMJWWWQBD-ZBEGNZNMSA-N 0 3 297.826 3.647 20 10 CHCDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000840962154 1132314327 /nfs/dbraw/zinc/31/43/27/1132314327.db2.gz IOVSLJJTVQDPMG-SDKBWNRFSA-N 0 3 276.399 3.636 20 10 CHCDHN CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000840961470 1132314347 /nfs/dbraw/zinc/31/43/47/1132314347.db2.gz WPUFTIMJWWWQBD-BZNIZROVSA-N 0 3 297.826 3.647 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(CCCO2)CC1 ZINC001231589381 1132319479 /nfs/dbraw/zinc/31/94/79/1132319479.db2.gz FALZPHDCPNKGHQ-UHFFFAOYSA-N 0 3 297.398 3.690 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1ccc(F)cc1OC ZINC001231605308 1132327461 /nfs/dbraw/zinc/32/74/61/1132327461.db2.gz KOBIUMYRMGKVRM-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccccc1[O-] ZINC000841760449 1132395404 /nfs/dbraw/zinc/39/54/04/1132395404.db2.gz FLDUTHAHSPIJOB-DOTOQJQBSA-N 0 3 291.435 3.764 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(C)nc(C)c1 ZINC001232003844 1132409184 /nfs/dbraw/zinc/40/91/84/1132409184.db2.gz WREWVNZGQNMIRJ-UHFFFAOYSA-N 0 3 297.446 3.787 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)CC(F)F)c([O-])c1 ZINC000842892783 1132474887 /nfs/dbraw/zinc/47/48/87/1132474887.db2.gz FFNPPZVBTOXSBV-PWSUYJOCSA-N 0 3 271.351 3.951 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000842922959 1132475596 /nfs/dbraw/zinc/47/55/96/1132475596.db2.gz ZVAIIECWPCSIQI-WCFLWFBJSA-N 0 3 281.371 3.528 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1[O-] ZINC000842922894 1132476797 /nfs/dbraw/zinc/47/67/97/1132476797.db2.gz YYSQIMPGWIXYSH-VNHYZAJKSA-N 0 3 277.408 3.779 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c1[O-] ZINC000842928827 1132477642 /nfs/dbraw/zinc/47/76/42/1132477642.db2.gz LTXWLLBKQZJTDO-OUJBWJOFSA-N 0 3 285.840 3.899 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1c(C)cccc1F ZINC001232484083 1132478369 /nfs/dbraw/zinc/47/83/69/1132478369.db2.gz VBVKWBVNXDBVOK-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN C[C@@H]1CCN(Cc2cccc(C(C)(C)C)c2O)C[C@H]1F ZINC001143104597 1132502007 /nfs/dbraw/zinc/50/20/07/1132502007.db2.gz VZLHPTGSNBTIMO-IUODEOHRSA-N 0 3 279.399 3.870 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+](C)C2CC(C)C2)c1[O-] ZINC001233107028 1132571800 /nfs/dbraw/zinc/57/18/00/1132571800.db2.gz SIOTUGVRJYVHOM-UHFFFAOYSA-N 0 3 298.224 3.693 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+](C)C2CC(C)C2)c1[O-] ZINC001233107028 1132571806 /nfs/dbraw/zinc/57/18/06/1132571806.db2.gz SIOTUGVRJYVHOM-UHFFFAOYSA-N 0 3 298.224 3.693 20 10 CHCDHN CC(C)[C@@H]1COCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001233286026 1132595708 /nfs/dbraw/zinc/59/57/08/1132595708.db2.gz BKGGODSSHGYRPZ-INIZCTEOSA-N 0 3 291.435 3.547 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC3(CCC3)C2)c1[O-] ZINC001233290844 1132598254 /nfs/dbraw/zinc/59/82/54/1132598254.db2.gz ZALCTKGIEXVMOR-UHFFFAOYSA-N 0 3 295.810 3.820 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCCC3(CCC3)C2)c1[O-] ZINC001233290844 1132598259 /nfs/dbraw/zinc/59/82/59/1132598259.db2.gz ZALCTKGIEXVMOR-UHFFFAOYSA-N 0 3 295.810 3.820 20 10 CHCDHN COc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC001203620392 1133345442 /nfs/dbraw/zinc/34/54/42/1133345442.db2.gz DAXDQGCXJCMELO-ZDUSSCGKSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC001203620392 1133345449 /nfs/dbraw/zinc/34/54/49/1133345449.db2.gz DAXDQGCXJCMELO-ZDUSSCGKSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)Cc2ccccc2[O-])cc1C ZINC001203759114 1133367360 /nfs/dbraw/zinc/36/73/60/1133367360.db2.gz WMPORIFJMOAWQG-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)Cc2ccccc2[O-])cc1C ZINC001203759114 1133367367 /nfs/dbraw/zinc/36/73/67/1133367367.db2.gz WMPORIFJMOAWQG-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)Cc1cccs1 ZINC001204220246 1133420797 /nfs/dbraw/zinc/42/07/97/1133420797.db2.gz CLTZJDPPJZFQAQ-UHFFFAOYSA-N 0 3 274.433 3.755 20 10 CHCDHN Cc1cc(C)cc(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001204525305 1133458335 /nfs/dbraw/zinc/45/83/35/1133458335.db2.gz YKMLCXVQYDMWRI-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1cc(C)cc(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001204525305 1133458336 /nfs/dbraw/zinc/45/83/36/1133458336.db2.gz YKMLCXVQYDMWRI-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN CC(C)C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001204875615 1133495455 /nfs/dbraw/zinc/49/54/55/1133495455.db2.gz OWIKGPXQPWGJND-ZDUSSCGKSA-N 0 3 296.405 3.899 20 10 CHCDHN Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1F ZINC001205243536 1133549057 /nfs/dbraw/zinc/54/90/57/1133549057.db2.gz JCLAJIXAQYCSEE-UHFFFAOYSA-N 0 3 286.394 3.832 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCCc1ccccc1F)CC2 ZINC001207497401 1133809101 /nfs/dbraw/zinc/80/91/01/1133809101.db2.gz XIAMLTZSMBXFIQ-UHFFFAOYSA-N 0 3 285.362 3.522 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCCc1ccccc1F)CC2 ZINC001207497401 1133809104 /nfs/dbraw/zinc/80/91/04/1133809104.db2.gz XIAMLTZSMBXFIQ-UHFFFAOYSA-N 0 3 285.362 3.522 20 10 CHCDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(N(C)C)cc1 ZINC000404819784 1134949505 /nfs/dbraw/zinc/94/95/05/1134949505.db2.gz CTULFPRWUMZHSG-CYBMUJFWSA-N 0 3 297.377 3.614 20 10 CHCDHN Cc1cc(F)ccc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000315550534 1135156587 /nfs/dbraw/zinc/15/65/87/1135156587.db2.gz QJCNYVQAWFCRIE-MRXNPFEDSA-N 0 3 285.362 3.659 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000316830241 1135169667 /nfs/dbraw/zinc/16/96/67/1135169667.db2.gz RVFHFZKHYXGQQW-IJEWVQPXSA-N 0 3 298.430 3.679 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1 ZINC000035628580 260030859 /nfs/dbraw/zinc/03/08/59/260030859.db2.gz IXOLZAGXUUFKRO-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(C)cc1[O-] ZINC000291301166 522637152 /nfs/dbraw/zinc/63/71/52/522637152.db2.gz SKVIQRLRVNTEOW-RDJZCZTQSA-N 0 3 277.408 3.556 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2ccccc2C)c1[O-] ZINC000020126195 171010177 /nfs/dbraw/zinc/01/01/77/171010177.db2.gz WJMQVDONEUXTTD-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(C)c2)c1 ZINC000020134180 171021764 /nfs/dbraw/zinc/02/17/64/171021764.db2.gz IFMVTRPDDOCXPS-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cccc(CN[C@H](C)c2ccc(F)cc2F)c1O ZINC000036952825 260056368 /nfs/dbraw/zinc/05/63/68/260056368.db2.gz XIRODJBPBZGQER-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(F)cc2F)c(O)c1 ZINC000051016668 260794834 /nfs/dbraw/zinc/79/48/34/260794834.db2.gz HOCBPLKZVUMGMJ-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1ccccc1[O-] ZINC000156002531 261111783 /nfs/dbraw/zinc/11/17/83/261111783.db2.gz PPAGKJMBFCLIPT-JKSUJKDBSA-N 0 3 270.376 3.979 20 10 CHCDHN COc1cccc(CN(C)[C@@H](C)c2cccs2)c1O ZINC000157838985 261153847 /nfs/dbraw/zinc/15/38/47/261153847.db2.gz JKUFLKISSGETRW-NSHDSACASA-N 0 3 277.389 3.655 20 10 CHCDHN COc1cccc(CN(C)[C@H](C)c2cccs2)c1O ZINC000157839130 261154244 /nfs/dbraw/zinc/15/42/44/261154244.db2.gz JKUFLKISSGETRW-LLVKDONJSA-N 0 3 277.389 3.655 20 10 CHCDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160985603 261233570 /nfs/dbraw/zinc/23/35/70/261233570.db2.gz KSNCTSNJLCIZGI-DNVCBOLYSA-N 0 3 298.430 3.527 20 10 CHCDHN C[C@H](O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000178546906 261749201 /nfs/dbraw/zinc/74/92/01/261749201.db2.gz KIXBMOWSJJGNCK-GJZGRUSLSA-N 0 3 298.430 3.657 20 10 CHCDHN C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000184000306 262004422 /nfs/dbraw/zinc/00/44/22/262004422.db2.gz XFCHLLYBMCCEKR-OCCSQVGLSA-N 0 3 281.371 3.531 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccccn1)c1cc2c(cc1[O-])CCCC2 ZINC000184839341 262030916 /nfs/dbraw/zinc/03/09/16/262030916.db2.gz VOPWPJWZRSXUTA-CQSZACIVSA-N 0 3 296.414 3.559 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1F ZINC000184927589 262033980 /nfs/dbraw/zinc/03/39/80/262033980.db2.gz MZHSQROQQFDHDK-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1ccc(CN[C@H](C)c2cc(C)ccc2O)cc1F ZINC000184927589 262033981 /nfs/dbraw/zinc/03/39/81/262033981.db2.gz MZHSQROQQFDHDK-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1F ZINC000184927960 262034176 /nfs/dbraw/zinc/03/41/76/262034176.db2.gz KKRDIPIBWIZOHE-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)cc2C)c1 ZINC000185066727 262039126 /nfs/dbraw/zinc/03/91/26/262039126.db2.gz VXPOWOUCHXSBRM-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c([O-])c1 ZINC000185525986 262058698 /nfs/dbraw/zinc/05/86/98/262058698.db2.gz OBQWECCVXJAJCL-RDJZCZTQSA-N 0 3 299.414 3.517 20 10 CHCDHN COC[C@@H](N[C@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000186034378 262076232 /nfs/dbraw/zinc/07/62/32/262076232.db2.gz SMMQCZZMVQXTAN-RHSMWYFYSA-N 0 3 285.387 3.739 20 10 CHCDHN COc1ccsc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000186086068 262079141 /nfs/dbraw/zinc/07/91/41/262079141.db2.gz TUUKKHKDQPXTRZ-LBPRGKRZSA-N 0 3 290.432 3.674 20 10 CHCDHN CCOCCC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CCC1 ZINC000186115910 262079792 /nfs/dbraw/zinc/07/97/92/262079792.db2.gz JCIVGUPXXBSHIL-OAHLLOKOSA-N 0 3 291.435 3.948 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000186129118 262081143 /nfs/dbraw/zinc/08/11/43/262081143.db2.gz FTQATLPYURFWKM-GJZGRUSLSA-N 0 3 289.419 3.843 20 10 CHCDHN COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000186216897 262084736 /nfs/dbraw/zinc/08/47/36/262084736.db2.gz YSURJYHGYNXSLA-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(Cl)cn2)c1 ZINC000186229849 262085609 /nfs/dbraw/zinc/08/56/09/262085609.db2.gz NUVOISZTBQJILM-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c([O-])c1 ZINC000186602900 262101518 /nfs/dbraw/zinc/10/15/18/262101518.db2.gz NQCOGXDKZXXSRR-AWEZNQCLSA-N 0 3 299.414 3.779 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])s1 ZINC000186766174 262108643 /nfs/dbraw/zinc/10/86/43/262108643.db2.gz ZYIXKVVLSNVZNA-YPMHNXCESA-N 0 3 290.432 3.920 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)c2nccs2)c1 ZINC000186727367 262322466 /nfs/dbraw/zinc/32/24/66/262322466.db2.gz QHJJXZNQKUQFKX-NWDGAFQWSA-N 0 3 276.405 3.611 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c([O-])c1 ZINC000370375082 267313328 /nfs/dbraw/zinc/31/33/28/267313328.db2.gz QWWMVJFOAANCDB-KSSFIOAISA-N 0 3 296.414 3.538 20 10 CHCDHN COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000090339505 327094220 /nfs/dbraw/zinc/09/42/20/327094220.db2.gz MBTJCKHUELCVNA-QWHCGFSZSA-N 0 3 271.360 3.813 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)c2ccccc2)c1 ZINC000264970512 330006378 /nfs/dbraw/zinc/00/63/78/330006378.db2.gz QOPWACUJIUAJAT-UHFFFAOYSA-N 0 3 255.361 3.726 20 10 CHCDHN COc1ccc([C@@H]([NH2+][C@H](C)c2ccccc2[O-])C2CC2)cn1 ZINC000528041631 330305796 /nfs/dbraw/zinc/30/57/96/330305796.db2.gz BTFQBOVMGILOFG-XIKOKIGWSA-N 0 3 298.386 3.598 20 10 CHCDHN Cc1cccc(C[NH2+][C@H]2CCCc3sccc32)c1[O-] ZINC000154657400 330663277 /nfs/dbraw/zinc/66/32/77/330663277.db2.gz OADGJFRHKMPOSD-AWEZNQCLSA-N 0 3 273.401 3.929 20 10 CHCDHN CCCCN1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000037149767 520576961 /nfs/dbraw/zinc/57/69/61/520576961.db2.gz BRYVEQHZYIBCPI-HNNXBMFYSA-N 0 3 290.451 3.616 20 10 CHCDHN CCCc1nc(C)c(CNCc2cc(C)c(C)cc2O)o1 ZINC000291735684 521497194 /nfs/dbraw/zinc/49/71/94/521497194.db2.gz OJVLVSFFDNGNQX-UHFFFAOYSA-N 0 3 288.391 3.548 20 10 CHCDHN CC[C@H]([NH2+]CCCCOC(C)C)c1ccc(C)cc1[O-] ZINC000280263964 522580471 /nfs/dbraw/zinc/58/04/71/522580471.db2.gz XKKNMLDTROUDJQ-INIZCTEOSA-N 0 3 279.424 3.947 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(C)cc1[O-] ZINC000280099200 522699419 /nfs/dbraw/zinc/69/94/19/522699419.db2.gz MYRYKLNYKRNJKF-BBRMVZONSA-N 0 3 270.376 3.898 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000274961636 522719888 /nfs/dbraw/zinc/71/98/88/522719888.db2.gz WVUXKJBKONNYMS-HIFRSBDPSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(C)cc1[O-] ZINC000279970156 522865123 /nfs/dbraw/zinc/86/51/23/522865123.db2.gz CYPHWHCLYKRUAZ-ZBFHGGJFSA-N 0 3 291.416 3.536 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1)c1ccc(C)cc1[O-] ZINC000280156368 522884103 /nfs/dbraw/zinc/88/41/03/522884103.db2.gz QLLJMPNZEHRMHD-QGZVFWFLSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290293409 523120049 /nfs/dbraw/zinc/12/00/49/523120049.db2.gz APQIASJZCRWSBE-HNNXBMFYSA-N 0 3 274.339 3.509 20 10 CHCDHN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290293409 523120062 /nfs/dbraw/zinc/12/00/62/523120062.db2.gz APQIASJZCRWSBE-HNNXBMFYSA-N 0 3 274.339 3.509 20 10 CHCDHN Cc1cccc(C(C)(C)[NH2+]Cc2ccccc2[O-])c1 ZINC000130448830 524232755 /nfs/dbraw/zinc/23/27/55/524232755.db2.gz ASJKJTYVMJZSJR-UHFFFAOYSA-N 0 3 255.361 3.726 20 10 CHCDHN C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297568307 524235460 /nfs/dbraw/zinc/23/54/60/524235460.db2.gz GLCZFRJFGSRMHU-DYVFJYSZSA-N 0 3 297.398 3.696 20 10 CHCDHN C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297568308 524526055 /nfs/dbraw/zinc/52/60/55/524526055.db2.gz GLCZFRJFGSRMHU-GUYCJALGSA-N 0 3 297.398 3.696 20 10 CHCDHN COc1ccc(O)c(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000020124329 524754971 /nfs/dbraw/zinc/75/49/71/524754971.db2.gz XFYMTMBKPOOTSI-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000020124329 524754978 /nfs/dbraw/zinc/75/49/78/524754978.db2.gz XFYMTMBKPOOTSI-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000049577276 524772827 /nfs/dbraw/zinc/77/28/27/524772827.db2.gz ICFLZOGQQMILFY-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN Cc1ccc(O)c(CNC2(c3nccs3)CCCC2)c1 ZINC000265202500 525345355 /nfs/dbraw/zinc/34/53/55/525345355.db2.gz BLJWJJUDRAJZBX-UHFFFAOYSA-N 0 3 288.416 3.716 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000071407919 525354497 /nfs/dbraw/zinc/35/44/97/525354497.db2.gz WMPYGTADAPGMGI-OLZOCXBDSA-N 0 3 287.325 3.911 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCc2ncccc2C)c1 ZINC000296522481 525360588 /nfs/dbraw/zinc/36/05/88/525360588.db2.gz PZTBZHPIZLMCFB-OAHLLOKOSA-N 0 3 284.403 3.687 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278586900 525364378 /nfs/dbraw/zinc/36/43/78/525364378.db2.gz YPUFCZHRCMGIBC-AWEZNQCLSA-N 0 3 296.414 3.825 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000093941543 525526983 /nfs/dbraw/zinc/52/69/83/525526983.db2.gz QNNCDBQDKHXCEL-OAHLLOKOSA-N 0 3 297.446 3.669 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCC(C)(F)F)c([O-])c1 ZINC000297307271 525726312 /nfs/dbraw/zinc/72/63/12/525726312.db2.gz MRADEFNUNJTONB-LLVKDONJSA-N 0 3 257.324 3.787 20 10 CHCDHN Cc1nc(C)c([C@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000040445929 526754381 /nfs/dbraw/zinc/75/43/81/526754381.db2.gz JOXBAPZKIACMDF-NSHDSACASA-N 0 3 289.448 3.677 20 10 CHCDHN C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccccc1[O-] ZINC000109771143 1125469299 /nfs/dbraw/zinc/46/92/99/1125469299.db2.gz CKJYKTLMAWFYMY-UHFFFAOYSA-N 0 3 293.313 3.626 20 10 CHCDHN C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccccc1[O-] ZINC000109771143 1125469306 /nfs/dbraw/zinc/46/93/06/1125469306.db2.gz CKJYKTLMAWFYMY-UHFFFAOYSA-N 0 3 293.313 3.626 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794805586 1123953955 /nfs/dbraw/zinc/95/39/55/1123953955.db2.gz XTEHFXKUPWJUST-DZGCQCFKSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CC1CCC(F)(F)CC1 ZINC000877500271 1125035705 /nfs/dbraw/zinc/03/57/05/1125035705.db2.gz QZDLOQNJDNLUFK-UHFFFAOYSA-N 0 3 269.335 3.616 20 10 CHCDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)F ZINC000883259887 1125387097 /nfs/dbraw/zinc/38/70/97/1125387097.db2.gz CFIKRHHGPCJDJK-LLVKDONJSA-N 0 3 269.335 3.651 20 10 CHCDHN CCC[N@@H+](Cc1cc(Cl)c([O-])cc1O)[C@@H](C)CC ZINC001232257321 1132444422 /nfs/dbraw/zinc/44/44/22/1132444422.db2.gz AJWMOHSKIKKMEN-JTQLQIEISA-N 0 3 271.788 3.762 20 10 CHCDHN CCC1(CC)CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000134078067 1125527884 /nfs/dbraw/zinc/52/78/84/1125527884.db2.gz UFAOLMOOWRTDHZ-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccccc1[O-] ZINC000121083349 1125555815 /nfs/dbraw/zinc/55/58/15/1125555815.db2.gz XMYPACUPEHOIKW-QGZVFWFLSA-N 0 3 284.403 3.699 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccccc1[O-] ZINC000286963302 1125756266 /nfs/dbraw/zinc/75/62/66/1125756266.db2.gz IBPYJIUOBXAPQB-GXTWGEPZSA-N 0 3 265.422 3.576 20 10 CHCDHN CCOc1ccc(C)c(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC001238709868 1131235958 /nfs/dbraw/zinc/23/59/58/1131235958.db2.gz WLJWULHVFONWMP-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCOc1ccc(C)c(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC001238709868 1131235961 /nfs/dbraw/zinc/23/59/61/1131235961.db2.gz WLJWULHVFONWMP-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccccc2[O-])s1 ZINC000768872116 1129877993 /nfs/dbraw/zinc/87/79/93/1129877993.db2.gz DDYCTSHAXTZRLI-UHFFFAOYSA-N 0 3 261.390 3.648 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccccc2[O-])s1 ZINC000768872116 1129877998 /nfs/dbraw/zinc/87/79/98/1129877998.db2.gz DDYCTSHAXTZRLI-UHFFFAOYSA-N 0 3 261.390 3.648 20 10 CHCDHN CSC1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000788605164 1130197175 /nfs/dbraw/zinc/19/71/75/1130197175.db2.gz GUPJLLXXBOIDBH-ONGXEEELSA-N 0 3 281.396 3.565 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000159800786 1126753411 /nfs/dbraw/zinc/75/34/11/1126753411.db2.gz VPJBOGMDEHUIPJ-UHFFFAOYSA-N 0 3 263.287 3.620 20 10 CHCDHN Cc1cc(Cl)ccc1CNCc1ccc2c(c1)CCO2 ZINC001649006027 1126839149 /nfs/dbraw/zinc/83/91/49/1126839149.db2.gz VPSOOARCDVEUCO-UHFFFAOYSA-N 0 3 287.790 3.873 20 10 CHCDHN Cc1cc(Cl)cc(CN(C)[C@@H](C)c2ccccn2)c1O ZINC000182066854 1126865811 /nfs/dbraw/zinc/86/58/11/1126865811.db2.gz QKPABYQMIQUOFS-LBPRGKRZSA-N 0 3 290.794 3.942 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccccc1[O-] ZINC000183414091 1126886727 /nfs/dbraw/zinc/88/67/27/1126886727.db2.gz ZEUCWXFQVZRUIZ-HNNXBMFYSA-N 0 3 296.414 3.843 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000183504759 1126887593 /nfs/dbraw/zinc/88/75/93/1126887593.db2.gz NJDYZEUBTUQLHF-ZIAGYGMSSA-N 0 3 283.371 3.609 20 10 CHCDHN CC(C)c1nc(CC[NH2+][C@@H](C)c2ccccc2[O-])cs1 ZINC000183482868 1126887663 /nfs/dbraw/zinc/88/76/63/1126887663.db2.gz AGCIJQWFMJHJPK-LBPRGKRZSA-N 0 3 290.432 3.865 20 10 CHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])Oc1ccccc1F ZINC000183534739 1126888969 /nfs/dbraw/zinc/88/89/69/1126888969.db2.gz XOEPOMDZRLNLRS-CHWSQXEVSA-N 0 3 289.350 3.649 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccccc1[O-] ZINC000183605579 1126889809 /nfs/dbraw/zinc/88/98/09/1126889809.db2.gz UHGRBRQGDOXHSO-UONOGXRCSA-N 0 3 271.360 3.510 20 10 CHCDHN CCOC1CC(CC[NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000187977680 1126917658 /nfs/dbraw/zinc/91/76/58/1126917658.db2.gz GRYVITIFYVRQKY-UHFFFAOYSA-N 0 3 297.826 3.649 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1[O-] ZINC000797603830 1130997928 /nfs/dbraw/zinc/99/79/28/1130997928.db2.gz BJRLDRAOGUAOKF-JTQLQIEISA-N 0 3 289.753 3.879 20 10 CHCDHN Cc1ccncc1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000271332752 1127076190 /nfs/dbraw/zinc/07/61/90/1127076190.db2.gz BGUFICYXPMPRMB-OAHLLOKOSA-N 0 3 295.430 3.623 20 10 CHCDHN CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271429317 1127080943 /nfs/dbraw/zinc/08/09/43/1127080943.db2.gz AWFGVTZZPMBLSK-SJORKVTESA-N 0 3 298.434 3.594 20 10 CHCDHN Cc1cccnc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271574179 1127093274 /nfs/dbraw/zinc/09/32/74/1127093274.db2.gz UPSZQGMHICUBCT-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC(C)(C)C ZINC001237139854 1131057205 /nfs/dbraw/zinc/05/72/05/1131057205.db2.gz QDOAPKGBBTYJTI-UHFFFAOYSA-N 0 3 275.314 3.889 20 10 CHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])CC(C)(C)C ZINC001237139854 1131057210 /nfs/dbraw/zinc/05/72/10/1131057210.db2.gz QDOAPKGBBTYJTI-UHFFFAOYSA-N 0 3 275.314 3.889 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284016703 1127169988 /nfs/dbraw/zinc/16/99/88/1127169988.db2.gz HXVXPPMESBQCPZ-HKUYNNGSSA-N 0 3 297.398 3.689 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284016703 1127169990 /nfs/dbraw/zinc/16/99/90/1127169990.db2.gz HXVXPPMESBQCPZ-HKUYNNGSSA-N 0 3 297.398 3.689 20 10 CHCDHN CCOc1cccc(C[N@H+]([C@H](C)C(C)C)C2CC2)c1[O-] ZINC000156980488 1127202022 /nfs/dbraw/zinc/20/20/22/1127202022.db2.gz QAZMUKDGLJEXDO-CYBMUJFWSA-N 0 3 277.408 3.800 20 10 CHCDHN CCOc1cccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)c1[O-] ZINC000156980488 1127202026 /nfs/dbraw/zinc/20/20/26/1127202026.db2.gz QAZMUKDGLJEXDO-CYBMUJFWSA-N 0 3 277.408 3.800 20 10 CHCDHN CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000760903764 1127325379 /nfs/dbraw/zinc/32/53/79/1127325379.db2.gz YRGTXWGIIAEOBV-UWVGGRQHSA-N 0 3 261.287 3.774 20 10 CHCDHN Cc1cc(O)c(CN[C@@H]2c3ccccc3O[C@H]2C)cc1C ZINC000288544456 1127346129 /nfs/dbraw/zinc/34/61/29/1127346129.db2.gz LBBSCHLLNYNZHH-UGSOOPFHSA-N 0 3 283.371 3.621 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000226582178 1127411863 /nfs/dbraw/zinc/41/18/63/1127411863.db2.gz DXJBHELXVYEIRJ-UHFFFAOYSA-N 0 3 279.742 3.517 20 10 CHCDHN C[C@H]1CCCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001308694612 1127430769 /nfs/dbraw/zinc/43/07/69/1127430769.db2.gz LNARPPULAITYHB-LBPRGKRZSA-N 0 3 282.378 3.653 20 10 CHCDHN CCc1noc(C)c1CNCc1cc(Cl)cc(C)c1O ZINC000293547298 1127504846 /nfs/dbraw/zinc/50/48/46/1127504846.db2.gz DMXGASAWXGQOOJ-UHFFFAOYSA-N 0 3 294.782 3.503 20 10 CHCDHN Cc1cccc(CN2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000294050997 1127545378 /nfs/dbraw/zinc/54/53/78/1127545378.db2.gz WZMBGAKWXKMAHF-QGZVFWFLSA-N 0 3 282.387 3.679 20 10 CHCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCF ZINC000294122212 1127551043 /nfs/dbraw/zinc/55/10/43/1127551043.db2.gz KUMVCVSNPPQRKI-INIZCTEOSA-N 0 3 273.351 3.625 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC000228606806 1127572157 /nfs/dbraw/zinc/57/21/57/1127572157.db2.gz XVRBCTIZXDRJQT-CYBMUJFWSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC000228606806 1127572161 /nfs/dbraw/zinc/57/21/61/1127572161.db2.gz XVRBCTIZXDRJQT-CYBMUJFWSA-N 0 3 283.799 3.675 20 10 CHCDHN C[C@H](CC[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000060942210 1127625021 /nfs/dbraw/zinc/62/50/21/1127625021.db2.gz NVECVHVHNCFRMD-CQSZACIVSA-N 0 3 255.361 3.676 20 10 CHCDHN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000229121195 1127650627 /nfs/dbraw/zinc/65/06/27/1127650627.db2.gz WEZAQJGVAMVYNT-MFKMUULPSA-N 0 3 283.799 3.817 20 10 CHCDHN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000229121195 1127650628 /nfs/dbraw/zinc/65/06/28/1127650628.db2.gz WEZAQJGVAMVYNT-MFKMUULPSA-N 0 3 283.799 3.817 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1[C@@H]3Cc4ccccc4[C@H]13)CC2 ZINC000297115481 1127688513 /nfs/dbraw/zinc/68/85/13/1127688513.db2.gz YHDNPPKCEXWFHU-XLSPSMHOSA-N 0 3 291.394 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1[O-] ZINC000364363106 1127697976 /nfs/dbraw/zinc/69/79/76/1127697976.db2.gz NFNXGWYUKADYFJ-WTTBNOFXSA-N 0 3 289.419 3.637 20 10 CHCDHN CCC[N@H+](CCC(=O)c1ccccc1)Cc1ccccc1[O-] ZINC000777594353 1128167442 /nfs/dbraw/zinc/16/74/42/1128167442.db2.gz NMPZEHWOCVFKQL-UHFFFAOYSA-N 0 3 297.398 3.877 20 10 CHCDHN CCC[N@@H+](CCC(=O)c1ccccc1)Cc1ccccc1[O-] ZINC000777594353 1128167446 /nfs/dbraw/zinc/16/74/46/1128167446.db2.gz NMPZEHWOCVFKQL-UHFFFAOYSA-N 0 3 297.398 3.877 20 10 CHCDHN C[C@@H](N[C@@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000927056760 1128212227 /nfs/dbraw/zinc/21/22/27/1128212227.db2.gz WZXVEDDHPSITEE-RDTXWAMCSA-N 0 3 295.430 3.876 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3cccnc32)c1 ZINC000927060400 1128212569 /nfs/dbraw/zinc/21/25/69/1128212569.db2.gz BHNSGIAKJTWARP-MLGOLLRUSA-N 0 3 298.386 3.524 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000927101532 1128217593 /nfs/dbraw/zinc/21/75/93/1128217593.db2.gz NSYKZECQUGWPRC-UONOGXRCSA-N 0 3 291.435 3.945 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000927129966 1128220632 /nfs/dbraw/zinc/22/06/32/1128220632.db2.gz QQJVZCFTRSJDMV-GOEBONIOSA-N 0 3 289.419 3.925 20 10 CHCDHN CCN(C)c1ccc(CN2CCC(c3ncco3)CC2)cc1 ZINC000931444999 1128361890 /nfs/dbraw/zinc/36/18/90/1128361890.db2.gz XBGJEVXYOWMYOA-UHFFFAOYSA-N 0 3 299.418 3.510 20 10 CHCDHN CCN(C)c1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000932382596 1128406123 /nfs/dbraw/zinc/40/61/23/1128406123.db2.gz AHRIIGOEZDCJEI-IBGZPJMESA-N 0 3 295.430 3.779 20 10 CHCDHN CCC[C@@H](C)CC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001257467232 1128456944 /nfs/dbraw/zinc/45/69/44/1128456944.db2.gz HQHTZRYEEZRHAS-OLZOCXBDSA-N 0 3 265.397 3.792 20 10 CHCDHN C[C@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000040668282 1128527116 /nfs/dbraw/zinc/52/71/16/1128527116.db2.gz ZTCUJHPARCIRBN-VKJFTORMSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]CCc1sc(C)nc1C)c1ccccc1[O-] ZINC000155752613 1128613838 /nfs/dbraw/zinc/61/38/38/1128613838.db2.gz QDVUYIXFUQEULN-AWEZNQCLSA-N 0 3 290.432 3.749 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])Cc2ccccc21 ZINC000778995442 1128674483 /nfs/dbraw/zinc/67/44/83/1128674483.db2.gz RSTWTODCVHHRPT-CYBMUJFWSA-N 0 3 253.345 3.512 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])Cc2ccccc21 ZINC000778995442 1128674486 /nfs/dbraw/zinc/67/44/86/1128674486.db2.gz RSTWTODCVHHRPT-CYBMUJFWSA-N 0 3 253.345 3.512 20 10 CHCDHN CC[N@H+](CCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778996987 1128675607 /nfs/dbraw/zinc/67/56/07/1128675607.db2.gz YIHRTJGCDFPEFP-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN CC[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778996987 1128675609 /nfs/dbraw/zinc/67/56/09/1128675609.db2.gz YIHRTJGCDFPEFP-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN Cc1ccccc1C[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000778996435 1128675797 /nfs/dbraw/zinc/67/57/97/1128675797.db2.gz OMRASWCSAAMHLK-UHFFFAOYSA-N 0 3 267.372 3.865 20 10 CHCDHN Cc1ccccc1C[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000778996435 1128675800 /nfs/dbraw/zinc/67/58/00/1128675800.db2.gz OMRASWCSAAMHLK-UHFFFAOYSA-N 0 3 267.372 3.865 20 10 CHCDHN Cc1ccccc1[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779005610 1128676361 /nfs/dbraw/zinc/67/63/61/1128676361.db2.gz MASWOEHAOJSAJP-AWEZNQCLSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779005610 1128676363 /nfs/dbraw/zinc/67/63/63/1128676363.db2.gz MASWOEHAOJSAJP-AWEZNQCLSA-N 0 3 285.362 3.829 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000779014483 1128678880 /nfs/dbraw/zinc/67/88/80/1128678880.db2.gz KOUFRFGSNFLASY-UHFFFAOYSA-N 0 3 285.362 3.911 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)CC2)c1[O-] ZINC000779035727 1128696172 /nfs/dbraw/zinc/69/61/72/1128696172.db2.gz GKTJZZPWAGCQOD-SNVBAGLBSA-N 0 3 298.224 3.914 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000779034656 1128692061 /nfs/dbraw/zinc/69/20/61/1128692061.db2.gz ZEMIKUJOUFPOHF-YVEFUNNKSA-N 0 3 271.335 3.724 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000779034656 1128692062 /nfs/dbraw/zinc/69/20/62/1128692062.db2.gz ZEMIKUJOUFPOHF-YVEFUNNKSA-N 0 3 271.335 3.724 20 10 CHCDHN COc1ccc([C@@H]([NH2+]Cc2ccccc2[O-])C2CC2)cc1 ZINC000134225783 1128706267 /nfs/dbraw/zinc/70/62/67/1128706267.db2.gz YDMCFWNBUQBXFE-SFHVURJKSA-N 0 3 283.371 3.642 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)c2c1c(F)ccc2[O-] ZINC000779078461 1128721998 /nfs/dbraw/zinc/72/19/98/1128721998.db2.gz GHNFBFVAPXSAAX-WZRBSPASSA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@@H]([NH2+]CCc1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000185067905 1117759244 /nfs/dbraw/zinc/75/92/44/1117759244.db2.gz XIWXFXQVQFECKJ-SNVBAGLBSA-N 0 3 295.304 3.703 20 10 CHCDHN CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])C1CCCC1 ZINC000692981380 1117959176 /nfs/dbraw/zinc/95/91/76/1117959176.db2.gz UWAGZFCHNLELHQ-DYVFJYSZSA-N 0 3 277.408 3.556 20 10 CHCDHN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179568938 1128748692 /nfs/dbraw/zinc/74/86/92/1128748692.db2.gz QVGPOCOVRNFJMT-INIZCTEOSA-N 0 3 283.371 3.738 20 10 CHCDHN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179568938 1128748694 /nfs/dbraw/zinc/74/86/94/1128748694.db2.gz QVGPOCOVRNFJMT-INIZCTEOSA-N 0 3 283.371 3.738 20 10 CHCDHN CCC[N@H+](CCCc1ccncc1)Cc1ccccc1[O-] ZINC000764960197 1118128145 /nfs/dbraw/zinc/12/81/45/1118128145.db2.gz LFEFGDSPCPOWFP-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN CCC[N@@H+](CCCc1ccncc1)Cc1ccccc1[O-] ZINC000764960197 1118128148 /nfs/dbraw/zinc/12/81/48/1118128148.db2.gz LFEFGDSPCPOWFP-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccoc2C)cc1 ZINC000765398291 1118149139 /nfs/dbraw/zinc/14/91/39/1118149139.db2.gz YOJHGPOVRKKRPP-CYBMUJFWSA-N 0 3 272.392 3.895 20 10 CHCDHN COc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000188797734 1128765464 /nfs/dbraw/zinc/76/54/64/1128765464.db2.gz DWIITAXKAZDMQU-CHWSQXEVSA-N 0 3 286.375 3.516 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000147937693 1118255350 /nfs/dbraw/zinc/25/53/50/1118255350.db2.gz HIKMRWYGWQHMHI-GJZGRUSLSA-N 0 3 267.372 3.777 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000179934858 1128767434 /nfs/dbraw/zinc/76/74/34/1128767434.db2.gz BPMFOJMTGPBLPA-CQSZACIVSA-N 0 3 271.335 3.521 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000179934858 1128767436 /nfs/dbraw/zinc/76/74/36/1128767436.db2.gz BPMFOJMTGPBLPA-CQSZACIVSA-N 0 3 271.335 3.521 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1[O-] ZINC000252854015 1118550319 /nfs/dbraw/zinc/55/03/19/1118550319.db2.gz KPFGFBCITUUHPG-GHMZBOCLSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1[O-] ZINC000252854015 1118550320 /nfs/dbraw/zinc/55/03/20/1118550320.db2.gz KPFGFBCITUUHPG-GHMZBOCLSA-N 0 3 283.799 3.675 20 10 CHCDHN CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000248522198 1118569557 /nfs/dbraw/zinc/56/95/57/1118569557.db2.gz RWLOIORZDBHVMN-KGYLQXTDSA-N 0 3 283.412 3.856 20 10 CHCDHN Cc1csc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000382259699 1118653417 /nfs/dbraw/zinc/65/34/17/1118653417.db2.gz GYCNCYGUYDNITP-LBPRGKRZSA-N 0 3 261.390 3.921 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000252873735 1118848145 /nfs/dbraw/zinc/84/81/45/1118848145.db2.gz VQVWJFITFULGKA-MISXGVKJSA-N 0 3 297.826 3.969 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1cccnc1 ZINC000076074097 1119182576 /nfs/dbraw/zinc/18/25/76/1119182576.db2.gz MNLFLESVBWUFOP-CQSZACIVSA-N 0 3 270.376 3.760 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1cccnc1 ZINC000076074097 1119182577 /nfs/dbraw/zinc/18/25/77/1119182577.db2.gz MNLFLESVBWUFOP-CQSZACIVSA-N 0 3 270.376 3.760 20 10 CHCDHN C[C@@H](O)C[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000077428679 1119195036 /nfs/dbraw/zinc/19/50/36/1119195036.db2.gz UGNCYYJWUPFHHA-LSDHHAIUSA-N 0 3 299.414 3.556 20 10 CHCDHN CC[C@@H]([NH2+]CCC1SCCS1)c1ccccc1[O-] ZINC000693778086 1119333166 /nfs/dbraw/zinc/33/31/66/1119333166.db2.gz VDWXPGGXPZNMNX-GFCCVEGCSA-N 0 3 283.462 3.629 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCc1ccccc1)CC2 ZINC000383379744 1119610159 /nfs/dbraw/zinc/61/01/59/1119610159.db2.gz MKNBDHIJKWYFHQ-MRXNPFEDSA-N 0 3 267.372 3.602 20 10 CHCDHN CCc1ccc(C(C)(C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000177598088 1119830430 /nfs/dbraw/zinc/83/04/30/1119830430.db2.gz VBSPSWJBQIBFJV-UHFFFAOYSA-N 0 3 269.388 3.980 20 10 CHCDHN C[C@H](NCc1cc(F)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000177719179 1119848422 /nfs/dbraw/zinc/84/84/22/1119848422.db2.gz OWUKVQMPJKNVBR-LBPRGKRZSA-N 0 3 290.357 3.882 20 10 CHCDHN C[C@@H](NCc1cc(F)cc(F)c1)c1ccc(N(C)C)cc1 ZINC000177719192 1119848645 /nfs/dbraw/zinc/84/86/45/1119848645.db2.gz OWUKVQMPJKNVBR-GFCCVEGCSA-N 0 3 290.357 3.882 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccsc1 ZINC000310771714 1119949187 /nfs/dbraw/zinc/94/91/87/1119949187.db2.gz CVJHYRVYXMIEMG-GWCFXTLKSA-N 0 3 259.374 3.792 20 10 CHCDHN CN(C)c1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000053155632 1120014769 /nfs/dbraw/zinc/01/47/69/1120014769.db2.gz ATNFUNJXNQBIIK-UHFFFAOYSA-N 0 3 292.785 3.835 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)SC)c1ccccc1[O-] ZINC000169215377 1120104860 /nfs/dbraw/zinc/10/48/60/1120104860.db2.gz YUZNNUBNEXHZEG-GFCCVEGCSA-N 0 3 253.411 3.575 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)CC2 ZINC000695117521 1120109554 /nfs/dbraw/zinc/10/95/54/1120109554.db2.gz ANERKMCNSUYCJC-VXGBXAGGSA-N 0 3 267.319 3.547 20 10 CHCDHN CC[C@@H]([NH2+]CCCOC(C)(C)C)c1ccccc1[O-] ZINC000695278308 1120183280 /nfs/dbraw/zinc/18/32/80/1120183280.db2.gz CXLDRARZEZVUSV-CQSZACIVSA-N 0 3 265.397 3.638 20 10 CHCDHN Cc1cc(CNCc2cccnc2)c(C)n1-c1ccccc1 ZINC000314297279 1120183951 /nfs/dbraw/zinc/18/39/51/1120183951.db2.gz DIFKAUIZOFUOJF-UHFFFAOYSA-N 0 3 291.398 3.779 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000182791024 1120328062 /nfs/dbraw/zinc/32/80/62/1120328062.db2.gz XZCCCKDIQWNOPN-UKRRQHHQSA-N 0 3 267.372 3.773 20 10 CHCDHN CC[C@@H]([NH2+]CC1(OC)CCCCC1)c1ccccc1[O-] ZINC000186505246 1120342729 /nfs/dbraw/zinc/34/27/29/1120342729.db2.gz SCTRNBGTYNCOLP-OAHLLOKOSA-N 0 3 277.408 3.782 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c([O-])c1 ZINC000185451988 1120377260 /nfs/dbraw/zinc/37/72/60/1120377260.db2.gz BEOHRSANYQUZOW-AWEZNQCLSA-N 0 3 297.398 3.529 20 10 CHCDHN CCCC(O)(CCC)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185500825 1120378379 /nfs/dbraw/zinc/37/83/79/1120378379.db2.gz APPANDUSHDGXJO-CQSZACIVSA-N 0 3 279.424 3.683 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000186499951 1120399761 /nfs/dbraw/zinc/39/97/61/1120399761.db2.gz VRFHLJFEDKDPGI-DOMZBBRYSA-N 0 3 277.408 3.697 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])n1 ZINC000186573085 1120402517 /nfs/dbraw/zinc/40/25/17/1120402517.db2.gz OFDFHEKWTYTUJZ-YPMHNXCESA-N 0 3 290.432 3.920 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000229052336 1120596636 /nfs/dbraw/zinc/59/66/36/1120596636.db2.gz VQVWJFITFULGKA-COPLHBTASA-N 0 3 297.826 3.969 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000763517886 1128960510 /nfs/dbraw/zinc/96/05/10/1128960510.db2.gz JUBRULBOYPIDJX-DOPJRALCSA-N 0 3 297.398 3.683 20 10 CHCDHN CCC(F)(F)C(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000700721230 1121117296 /nfs/dbraw/zinc/11/72/96/1121117296.db2.gz OGQMXJQJLKJGSA-UHFFFAOYSA-N 0 3 257.324 3.553 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(F)c2F)c1 ZINC000182405565 1128965907 /nfs/dbraw/zinc/96/59/07/1128965907.db2.gz QHGHDGXKBVVYPT-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1F ZINC000094952449 1121247414 /nfs/dbraw/zinc/24/74/14/1121247414.db2.gz YQTGINFGIAGPTQ-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1[O-] ZINC000688455738 1128987867 /nfs/dbraw/zinc/98/78/67/1128987867.db2.gz MPHLIJRSWZVVMP-SNVBAGLBSA-N 0 3 255.308 3.621 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000248491391 1121571394 /nfs/dbraw/zinc/57/13/94/1121571394.db2.gz IQELHKGMOMHQTA-JDFRZJQESA-N 0 3 285.362 3.986 20 10 CHCDHN COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000747100305 1121731750 /nfs/dbraw/zinc/73/17/50/1121731750.db2.gz VOLYREUNBJAAIZ-KBPBESRZSA-N 0 3 285.387 3.683 20 10 CHCDHN C[C@@H]1C[C@@H](F)CN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232709 1121828557 /nfs/dbraw/zinc/82/85/57/1121828557.db2.gz IVIMJUAQMROBND-UKRRQHHQSA-N 0 3 286.394 3.838 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1[O-] ZINC000797127927 1121845939 /nfs/dbraw/zinc/84/59/39/1121845939.db2.gz HOGHVZRBVGBDAM-FWDPORAESA-N 0 3 298.224 3.912 20 10 CHCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)c([O-])c1 ZINC001181235335 1122044571 /nfs/dbraw/zinc/04/45/71/1122044571.db2.gz UZFPSOQBGXDIKQ-QEJZJMRPSA-N 0 3 291.435 3.871 20 10 CHCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCCC2(C)C)c([O-])c1 ZINC001181972902 1122103276 /nfs/dbraw/zinc/10/32/76/1122103276.db2.gz VRZZLMWDRGWQJR-CYBMUJFWSA-N 0 3 277.408 3.625 20 10 CHCDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000779604090 1129031884 /nfs/dbraw/zinc/03/18/84/1129031884.db2.gz FZJVDMOJJWWKRB-LBPRGKRZSA-N 0 3 263.356 3.543 20 10 CHCDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000779604090 1129031888 /nfs/dbraw/zinc/03/18/88/1129031888.db2.gz FZJVDMOJJWWKRB-LBPRGKRZSA-N 0 3 263.356 3.543 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000192750328 1129033881 /nfs/dbraw/zinc/03/38/81/1129033881.db2.gz CECMRCFHFWYCPS-IUODEOHRSA-N 0 3 299.370 3.923 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccccc1[O-] ZINC000774446005 1122165558 /nfs/dbraw/zinc/16/55/58/1122165558.db2.gz SKLBOFBGCQLPHQ-KRWDZBQOSA-N 0 3 296.414 3.907 20 10 CHCDHN CC[C@H]1CN(Cc2cc(C(C)C)ccc2O)C[C@H](CC)O1 ZINC001182461950 1122165994 /nfs/dbraw/zinc/16/59/94/1122165994.db2.gz MREREULEKOYZOC-IRXDYDNUSA-N 0 3 291.435 3.905 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccccc1[O-] ZINC000271758385 1122174231 /nfs/dbraw/zinc/17/42/31/1122174231.db2.gz ZAXMZFYYTJPUJB-MRXNPFEDSA-N 0 3 284.403 3.699 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccccc1[O-] ZINC000272815059 1122213974 /nfs/dbraw/zinc/21/39/74/1122213974.db2.gz DWQNSLDNMFTGDS-LSDHHAIUSA-N 0 3 289.419 3.925 20 10 CHCDHN COc1cccc2c1CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C2 ZINC001183355720 1122218174 /nfs/dbraw/zinc/21/81/74/1122218174.db2.gz RYJXTUAELIBQFI-HIFRSBDPSA-N 0 3 297.398 3.609 20 10 CHCDHN CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1Cc2cccc([O-])c2C1 ZINC001183454573 1122224051 /nfs/dbraw/zinc/22/40/51/1122224051.db2.gz MHLFGBRQEDGYBA-HIFRSBDPSA-N 0 3 257.377 3.700 20 10 CHCDHN CC1=CCC[C@@H](C)[C@H]1C[N@H+]1Cc2cccc([O-])c2C1 ZINC001183454573 1122224055 /nfs/dbraw/zinc/22/40/55/1122224055.db2.gz MHLFGBRQEDGYBA-HIFRSBDPSA-N 0 3 257.377 3.700 20 10 CHCDHN C=C/C=C\CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001183582271 1122230687 /nfs/dbraw/zinc/23/06/87/1122230687.db2.gz KOZARXJZQZRRJN-PLNGDYQASA-N 0 3 296.208 3.685 20 10 CHCDHN COCC[C@H](N[C@H](C)c1cc(C)ccc1O)c1ccco1 ZINC000273413964 1122232132 /nfs/dbraw/zinc/23/21/32/1122232132.db2.gz IIGZGODMWFLOON-HIFRSBDPSA-N 0 3 289.375 3.722 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000273503712 1122236651 /nfs/dbraw/zinc/23/66/51/1122236651.db2.gz QOVBBXDKOHDWGR-GRDNDAEWSA-N 0 3 277.408 3.555 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(F)ccc1[O-] ZINC000273562939 1122239267 /nfs/dbraw/zinc/23/92/67/1122239267.db2.gz IPYMCRLKEHMSCA-MEBBXXQBSA-N 0 3 287.334 3.575 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1OC)c1ccccc1[O-] ZINC000183331071 1129045260 /nfs/dbraw/zinc/04/52/60/1129045260.db2.gz LCFWQVUSXNLTNU-HNNXBMFYSA-N 0 3 289.350 3.781 20 10 CHCDHN C[C@H]([NH2+]CCCSc1nccs1)c1ccccc1[O-] ZINC000183520252 1129059098 /nfs/dbraw/zinc/05/90/98/1129059098.db2.gz WYJGATLVLNCTMG-NSHDSACASA-N 0 3 294.445 3.682 20 10 CHCDHN Cc1cc(C)cc(C[N@@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC000775147435 1122444249 /nfs/dbraw/zinc/44/42/49/1122444249.db2.gz BXEAQLVNVTWRPK-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1cc(C)cc(C[N@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC000775147435 1122444251 /nfs/dbraw/zinc/44/42/51/1122444251.db2.gz BXEAQLVNVTWRPK-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000775203904 1122478683 /nfs/dbraw/zinc/47/86/83/1122478683.db2.gz KGOMTGIHBULVFG-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000775203904 1122478686 /nfs/dbraw/zinc/47/86/86/1122478686.db2.gz KGOMTGIHBULVFG-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)c1ccccc1[O-] ZINC000775413853 1122556551 /nfs/dbraw/zinc/55/65/51/1122556551.db2.gz CMECFDZGGQGXFH-PKOBYXMFSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@@H]([NH2+]C1CCC(O)(CC)CC1)c1ccccc1[O-] ZINC000775518589 1122637632 /nfs/dbraw/zinc/63/76/32/1122637632.db2.gz DIIZQKVTWMDBPR-GNHJJJEISA-N 0 3 277.408 3.517 20 10 CHCDHN CC[C@H]([NH2+]C1CCC(O)(CC)CC1)c1ccccc1[O-] ZINC000775518590 1122637806 /nfs/dbraw/zinc/63/78/06/1122637806.db2.gz DIIZQKVTWMDBPR-GULBITTBSA-N 0 3 277.408 3.517 20 10 CHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC000775580920 1122680575 /nfs/dbraw/zinc/68/05/75/1122680575.db2.gz DOMOUONRXNMYET-NWDGAFQWSA-N 0 3 275.421 3.621 20 10 CHCDHN CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000296800251 1122778628 /nfs/dbraw/zinc/77/86/28/1122778628.db2.gz LMSXLKQUJIULNX-XHSDSOJGSA-N 0 3 289.419 3.563 20 10 CHCDHN Cc1occc1CN(C)Cc1cc(Cl)cc(C)c1O ZINC000775662566 1122875811 /nfs/dbraw/zinc/87/58/11/1122875811.db2.gz YLGPHECDWSDDLN-UHFFFAOYSA-N 0 3 279.767 3.887 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1[O-] ZINC000775664274 1122876905 /nfs/dbraw/zinc/87/69/05/1122876905.db2.gz JWCWWVNNGDDERM-GHMZBOCLSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1[O-] ZINC000775664278 1122877146 /nfs/dbraw/zinc/87/71/46/1122877146.db2.gz JWCWWVNNGDDERM-QWRGUYRKSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)n1 ZINC000775837395 1122985853 /nfs/dbraw/zinc/98/58/53/1122985853.db2.gz SBRKWXZHCRGWCE-CQSZACIVSA-N 0 3 283.419 3.615 20 10 CHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](C)CO ZINC000776002605 1123035096 /nfs/dbraw/zinc/03/50/96/1123035096.db2.gz GGWQZZKIGGHXHD-JKSUJKDBSA-N 0 3 299.414 3.584 20 10 CHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](C)CO ZINC000776002605 1123035100 /nfs/dbraw/zinc/03/51/00/1123035100.db2.gz GGWQZZKIGGHXHD-JKSUJKDBSA-N 0 3 299.414 3.584 20 10 CHCDHN C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000776012506 1123035951 /nfs/dbraw/zinc/03/59/51/1123035951.db2.gz HFNQRRYJXWAIKQ-CABZTGNLSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000776012506 1123035956 /nfs/dbraw/zinc/03/59/56/1123035956.db2.gz HFNQRRYJXWAIKQ-CABZTGNLSA-N 0 3 291.288 3.694 20 10 CHCDHN Cc1cccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1O ZINC000776024909 1123041199 /nfs/dbraw/zinc/04/11/99/1123041199.db2.gz ZVDBXACNYQXJJY-IUODEOHRSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C(C)(C)C2CC2)c1[O-] ZINC000776176756 1123102644 /nfs/dbraw/zinc/10/26/44/1123102644.db2.gz DWONFPRJAPGSTD-UHFFFAOYSA-N 0 3 253.773 3.632 20 10 CHCDHN CC[C@@H](COCC1CC1)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000850494120 1123274867 /nfs/dbraw/zinc/27/48/67/1123274867.db2.gz MZONSUVYKCQHGF-HOCLYGCPSA-N 0 3 277.408 3.638 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000850527227 1123282075 /nfs/dbraw/zinc/28/20/75/1123282075.db2.gz VNKCWFZHJCHVBN-WCQYABFASA-N 0 3 295.398 3.874 20 10 CHCDHN COCc1csc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000850533339 1123285901 /nfs/dbraw/zinc/28/59/01/1123285901.db2.gz WEKCIBBABLBZNH-GFCCVEGCSA-N 0 3 291.416 3.759 20 10 CHCDHN C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc(F)ccc1[O-] ZINC000850537675 1123287965 /nfs/dbraw/zinc/28/79/65/1123287965.db2.gz WYNBJRCTVCRKBD-TVQRCGJNSA-N 0 3 273.298 3.617 20 10 CHCDHN CCN(CC[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1C ZINC000783504238 1123313111 /nfs/dbraw/zinc/31/31/11/1123313111.db2.gz WREKOILZSSVOCW-INIZCTEOSA-N 0 3 298.430 3.878 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000020095480 1123358885 /nfs/dbraw/zinc/35/88/85/1123358885.db2.gz JREMCYIQAYFKEH-NEPJUHHUSA-N 0 3 259.324 3.943 20 10 CHCDHN C[N@H+](CCOc1ccccc1Cl)Cc1ccccc1[O-] ZINC000111235159 1123432466 /nfs/dbraw/zinc/43/24/66/1123432466.db2.gz NWGUHOCLYFECAQ-UHFFFAOYSA-N 0 3 291.778 3.556 20 10 CHCDHN C[N@@H+](CCOc1ccccc1Cl)Cc1ccccc1[O-] ZINC000111235159 1123432468 /nfs/dbraw/zinc/43/24/68/1123432468.db2.gz NWGUHOCLYFECAQ-UHFFFAOYSA-N 0 3 291.778 3.556 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc2ncsc2c1 ZINC000776807414 1123514678 /nfs/dbraw/zinc/51/46/78/1123514678.db2.gz HQJMIWWWXQTBBG-NSHDSACASA-N 0 3 284.384 3.853 20 10 CHCDHN Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000273597431 1129126642 /nfs/dbraw/zinc/12/66/42/1129126642.db2.gz RABXNUKNRAJAIG-SNVBAGLBSA-N 0 3 276.405 3.625 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)[C@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000895851040 1123521169 /nfs/dbraw/zinc/52/11/69/1123521169.db2.gz IIJUPZQVTPKIFR-IIAWOOMASA-N 0 3 297.398 3.683 20 10 CHCDHN COCCCC1(C[NH2+][C@H](C)c2ccccc2[O-])CCC1 ZINC000895852344 1123522534 /nfs/dbraw/zinc/52/25/34/1123522534.db2.gz SHTQTBWWXKQVCC-CQSZACIVSA-N 0 3 277.408 3.640 20 10 CHCDHN CCCc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])s1 ZINC000857041178 1123580860 /nfs/dbraw/zinc/58/08/60/1123580860.db2.gz JRLYVEFSRXYVMH-UHFFFAOYSA-N 0 3 291.416 3.705 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000194990374 1129140596 /nfs/dbraw/zinc/14/05/96/1129140596.db2.gz JVNWZBGSDUMWSJ-LSDHHAIUSA-N 0 3 298.430 3.538 20 10 CHCDHN CCCN(Cc1cnc(C2CC2)o1)Cc1ccccc1O ZINC000862236872 1123794158 /nfs/dbraw/zinc/79/41/58/1123794158.db2.gz FNOQJGWOJIULGG-UHFFFAOYSA-N 0 3 286.375 3.670 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(C)cc1[O-] ZINC000840876498 1123901288 /nfs/dbraw/zinc/90/12/88/1123901288.db2.gz NOANBCBFNNPEPT-MRXNPFEDSA-N 0 3 291.435 3.947 20 10 CHCDHN COc1cc(C)ccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000119822696 1123914650 /nfs/dbraw/zinc/91/46/50/1123914650.db2.gz POHJKBFWERDDTE-OAHLLOKOSA-N 0 3 298.430 3.920 20 10 CHCDHN CC[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(C)cc1[O-] ZINC000794801041 1123950596 /nfs/dbraw/zinc/95/05/96/1123950596.db2.gz HSSLBUVGKDMPFZ-INIZCTEOSA-N 0 3 291.435 3.827 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)CCSC)c1ccc(C)cc1[O-] ZINC000794803726 1123953029 /nfs/dbraw/zinc/95/30/29/1123953029.db2.gz SOMGHMNDNNJYJS-GXTWGEPZSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794809926 1123956314 /nfs/dbraw/zinc/95/63/14/1123956314.db2.gz RXHXCVUTDUTWRC-QRTARXTBSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+]CCOCC1CCC1)c1ccc(C)cc1[O-] ZINC000794812706 1123957267 /nfs/dbraw/zinc/95/72/67/1123957267.db2.gz FCWKVIQAKDTFHP-INIZCTEOSA-N 0 3 277.408 3.558 20 10 CHCDHN CCOC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])C(C)C ZINC000794812481 1123958892 /nfs/dbraw/zinc/95/88/92/1123958892.db2.gz DQKSPTYWGONIBA-HZPDHXFCSA-N 0 3 279.424 3.802 20 10 CHCDHN CC(C)(C)c1ccc(CNCc2ccccc2O)o1 ZINC000865814986 1124017058 /nfs/dbraw/zinc/01/70/58/1124017058.db2.gz RAQHBBFGVHHWEB-UHFFFAOYSA-N 0 3 259.349 3.573 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@H](C)c1ccncc1 ZINC000840938337 1124030948 /nfs/dbraw/zinc/03/09/48/1124030948.db2.gz BUZLUEWECXVWEB-OAHLLOKOSA-N 0 3 283.419 3.649 20 10 CHCDHN Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000866455427 1124068112 /nfs/dbraw/zinc/06/81/12/1124068112.db2.gz LKTDKVKWHKGXKL-ZJUUUORDSA-N 0 3 262.378 3.569 20 10 CHCDHN CC[C@H]([NH2+]CC1(OC(C)C)CCC1)c1ccccc1[O-] ZINC000872116559 1124687765 /nfs/dbraw/zinc/68/77/65/1124687765.db2.gz SHKBNHHAHZRCCT-HNNXBMFYSA-N 0 3 277.408 3.781 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@H](O)c1ccccc1 ZINC000872133526 1124692416 /nfs/dbraw/zinc/69/24/16/1124692416.db2.gz QOEUUTXYIRUSSI-YQVWRLOYSA-N 0 3 299.414 3.945 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000872134420 1124692564 /nfs/dbraw/zinc/69/25/64/1124692564.db2.gz WCJZVVWXUDRNIQ-OWQGQXMQSA-N 0 3 285.387 3.555 20 10 CHCDHN CCn1nccc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000124085172 1124715646 /nfs/dbraw/zinc/71/56/46/1124715646.db2.gz YVNISBGUMFKEPY-UHFFFAOYSA-N 0 3 299.418 3.553 20 10 CHCDHN CCn1nccc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000124085172 1124715653 /nfs/dbraw/zinc/71/56/53/1124715653.db2.gz YVNISBGUMFKEPY-UHFFFAOYSA-N 0 3 299.418 3.553 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccccc1[O-] ZINC000873236878 1124753497 /nfs/dbraw/zinc/75/34/97/1124753497.db2.gz JYFASCWDWIXKLR-KBPBESRZSA-N 0 3 282.387 3.642 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1[O-] ZINC000019904139 1124766829 /nfs/dbraw/zinc/76/68/29/1124766829.db2.gz AFJPZMQZNCZHMP-INIZCTEOSA-N 0 3 273.351 3.815 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccccc1)c1ccccc1[O-] ZINC000019919944 1124769981 /nfs/dbraw/zinc/76/99/81/1124769981.db2.gz OVTQFZICDDDVKP-INIZCTEOSA-N 0 3 255.361 3.676 20 10 CHCDHN CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])N(C)C ZINC000021521145 1124932597 /nfs/dbraw/zinc/93/25/97/1124932597.db2.gz XHCKRADYTMRTNU-YOEHRIQHSA-N 0 3 292.467 3.718 20 10 CHCDHN COc1ccc([C@@H]([NH2+]Cc2ccc(C)cc2[O-])C2CC2)cc1 ZINC000876904867 1124988179 /nfs/dbraw/zinc/98/81/79/1124988179.db2.gz MJLMXPDYMSPNKP-IBGZPJMESA-N 0 3 297.398 3.950 20 10 CHCDHN Cc1csc([C@H](NCc2ccc(C)cc2O)C2CC2)n1 ZINC000877066821 1125005805 /nfs/dbraw/zinc/00/58/05/1125005805.db2.gz UXTWUETVRORQFA-OAHLLOKOSA-N 0 3 288.416 3.706 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000877087439 1125008674 /nfs/dbraw/zinc/00/86/74/1125008674.db2.gz LYKGGFGUSKPVFG-HNNXBMFYSA-N 0 3 289.419 3.672 20 10 CHCDHN Cc1ccc(CN[C@H]2COc3ccc(Cl)cc32)c(O)c1 ZINC000877090649 1125009085 /nfs/dbraw/zinc/00/90/85/1125009085.db2.gz WTWSUUNFMFLIRF-AWEZNQCLSA-N 0 3 289.762 3.577 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000877343168 1125023381 /nfs/dbraw/zinc/02/33/81/1125023381.db2.gz VXDAANLUIBIBSB-PBHICJAKSA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000877343168 1125023389 /nfs/dbraw/zinc/02/33/89/1125023389.db2.gz VXDAANLUIBIBSB-PBHICJAKSA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000877376540 1125024282 /nfs/dbraw/zinc/02/42/82/1125024282.db2.gz JLMJIBWXKHVIMQ-APWZRJJASA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000877343170 1125024975 /nfs/dbraw/zinc/02/49/75/1125024975.db2.gz VXDAANLUIBIBSB-RHSMWYFYSA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000877343170 1125024983 /nfs/dbraw/zinc/02/49/83/1125024983.db2.gz VXDAANLUIBIBSB-RHSMWYFYSA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)c([O-])c1 ZINC000877461027 1125029901 /nfs/dbraw/zinc/02/99/01/1125029901.db2.gz WOTILASSUXYKBN-UHFFFAOYSA-N 0 3 261.287 3.521 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000877539748 1125041144 /nfs/dbraw/zinc/04/11/44/1125041144.db2.gz RXLXVWOPBWUCHE-APWZRJJASA-N 0 3 297.398 3.711 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C)cc2F)c1 ZINC000877532399 1125041266 /nfs/dbraw/zinc/04/12/66/1125041266.db2.gz FVLPHUVYVWQPIH-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1cccc(O)c1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000877548694 1125042491 /nfs/dbraw/zinc/04/24/91/1125042491.db2.gz RIUVIMCIOMSHFK-QGZVFWFLSA-N 0 3 282.387 3.679 20 10 CHCDHN CC(C)O[C@H](C[N@@H+]1Cc2cccc([O-])c2C1)c1ccccc1 ZINC000877703205 1125066285 /nfs/dbraw/zinc/06/62/85/1125066285.db2.gz WDJCZMFFBDAWIR-LJQANCHMSA-N 0 3 297.398 3.874 20 10 CHCDHN CC(C)O[C@H](C[N@H+]1Cc2cccc([O-])c2C1)c1ccccc1 ZINC000877703205 1125066294 /nfs/dbraw/zinc/06/62/94/1125066294.db2.gz WDJCZMFFBDAWIR-LJQANCHMSA-N 0 3 297.398 3.874 20 10 CHCDHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccccc1O ZINC000877756602 1125074211 /nfs/dbraw/zinc/07/42/11/1125074211.db2.gz XJIHRHBKAQPLPK-JMSVASOKSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccccc1[O-] ZINC000877756602 1125074220 /nfs/dbraw/zinc/07/42/20/1125074220.db2.gz XJIHRHBKAQPLPK-JMSVASOKSA-N 0 3 271.360 3.959 20 10 CHCDHN CC(C)c1ncc(C[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000877757381 1125075047 /nfs/dbraw/zinc/07/50/47/1125075047.db2.gz VQLWZLUFNHZION-NSHDSACASA-N 0 3 276.405 3.823 20 10 CHCDHN C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccccc1[O-] ZINC000877756579 1125075543 /nfs/dbraw/zinc/07/55/43/1125075543.db2.gz VCHZDZNJXKVMJW-SNVBAGLBSA-N 0 3 274.389 3.577 20 10 CHCDHN COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000127579174 1125202523 /nfs/dbraw/zinc/20/25/23/1125202523.db2.gz LVSXDCKMRQSJHT-PBHICJAKSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000127579174 1125202525 /nfs/dbraw/zinc/20/25/25/1125202525.db2.gz LVSXDCKMRQSJHT-PBHICJAKSA-N 0 3 297.398 3.779 20 10 CHCDHN C[C@@H]([NH2+]CCCCOC(C)(C)C)c1ccccc1[O-] ZINC000879649524 1125222132 /nfs/dbraw/zinc/22/21/32/1125222132.db2.gz VMIXUFRXGGXACN-CYBMUJFWSA-N 0 3 265.397 3.638 20 10 CHCDHN CCN(C)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000879649553 1125222830 /nfs/dbraw/zinc/22/28/30/1125222830.db2.gz VYGBBRCLSQCFHR-CQSZACIVSA-N 0 3 284.403 3.699 20 10 CHCDHN CC[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])CC(F)F ZINC000879650182 1125224009 /nfs/dbraw/zinc/22/40/09/1125224009.db2.gz NJOOWTNSLUIKRK-QWRGUYRKSA-N 0 3 257.324 3.724 20 10 CHCDHN C[C@H](NCc1cc(C(F)(F)F)co1)c1ccccc1O ZINC000879650328 1125224546 /nfs/dbraw/zinc/22/45/46/1125224546.db2.gz UXLDOOHTEJBBSK-VIFPVBQESA-N 0 3 285.265 3.855 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2ccccc2O)nc1Cl ZINC000879650176 1125224695 /nfs/dbraw/zinc/22/46/95/1125224695.db2.gz NDHGPXVLXSGCOB-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])nc1Cl ZINC000879650176 1125224700 /nfs/dbraw/zinc/22/47/00/1125224700.db2.gz NDHGPXVLXSGCOB-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2C)c1[O-] ZINC000228669747 1125250552 /nfs/dbraw/zinc/25/05/52/1125250552.db2.gz GCLKTHRNRQOHNM-ZWNOBZJWSA-N 0 3 283.799 3.723 20 10 CHCDHN Cc1ccc(O)c(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000130667632 1125366113 /nfs/dbraw/zinc/36/61/13/1125366113.db2.gz CZCYRQQWZGTWTL-KXBFYZLASA-N 0 3 297.398 3.663 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(C)nc2Cl)c1 ZINC000883301966 1125392663 /nfs/dbraw/zinc/39/26/63/1125392663.db2.gz NKFATYXWJFAVSB-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])[C@@H]1CCCOC1 ZINC000883353278 1125400450 /nfs/dbraw/zinc/40/04/50/1125400450.db2.gz RNIGAGAPSNQZEG-OIISXLGYSA-N 0 3 291.435 3.947 20 10 CHCDHN Cc1ccc(O)c(CN2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000245700140 1129218970 /nfs/dbraw/zinc/21/89/70/1129218970.db2.gz CZCYRQQWZGTWTL-DNVCBOLYSA-N 0 3 297.398 3.663 20 10 CHCDHN COc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296095482 1129220824 /nfs/dbraw/zinc/22/08/24/1129220824.db2.gz UCKQXESTYMORDI-SWLSCSKDSA-N 0 3 283.371 3.739 20 10 CHCDHN Cc1cccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000245871439 1129230533 /nfs/dbraw/zinc/23/05/33/1129230533.db2.gz RQYPLEIQMWUURB-MAUKXSAKSA-N 0 3 297.398 3.663 20 10 CHCDHN COCc1ccccc1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000037762739 1129266405 /nfs/dbraw/zinc/26/64/05/1129266405.db2.gz QLWRKGVHEJTIAL-AWEZNQCLSA-N 0 3 285.387 3.698 20 10 CHCDHN Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037776898 1129268880 /nfs/dbraw/zinc/26/88/80/1129268880.db2.gz SOQUKHBTNJJRKI-GJZGRUSLSA-N 0 3 269.388 3.982 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)C[C@H]3C)c2c1 ZINC000740860577 1129420912 /nfs/dbraw/zinc/42/09/12/1129420912.db2.gz QWHCKEBXBPBETR-CHWSQXEVSA-N 0 3 285.387 3.784 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)C[C@H]3C)c2c1 ZINC000740860577 1129420914 /nfs/dbraw/zinc/42/09/14/1129420914.db2.gz QWHCKEBXBPBETR-CHWSQXEVSA-N 0 3 285.387 3.784 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccccc1C)c1ccccc1[O-] ZINC000094182981 1129441434 /nfs/dbraw/zinc/44/14/34/1129441434.db2.gz BQXARZSDLDXXOA-QGZVFWFLSA-N 0 3 269.388 3.984 20 10 CHCDHN C[C@@H]([NH2+]CCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000094616828 1129448347 /nfs/dbraw/zinc/44/83/47/1129448347.db2.gz NWIPSKQJXWVMHQ-CYBMUJFWSA-N 0 3 273.351 3.815 20 10 CHCDHN CCCCC[C@@H](CCC)[NH2+]Cc1ccc(O)cc1[O-] ZINC001258664165 1129472563 /nfs/dbraw/zinc/47/25/63/1129472563.db2.gz GRRKZXMLBICOKG-CQSZACIVSA-N 0 3 265.397 3.936 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC000742378730 1129476196 /nfs/dbraw/zinc/47/61/96/1129476196.db2.gz LIXKBBCSGYQMNB-IJEWVQPXSA-N 0 3 289.419 3.849 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1[O-] ZINC000252871511 1129599901 /nfs/dbraw/zinc/59/99/01/1129599901.db2.gz UOJRBWXJCDTQKG-GHMZBOCLSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1[O-] ZINC000252871511 1129599904 /nfs/dbraw/zinc/59/99/04/1129599904.db2.gz UOJRBWXJCDTQKG-GHMZBOCLSA-N 0 3 283.799 3.675 20 10 CHCDHN Cc1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC000746449054 1129665322 /nfs/dbraw/zinc/66/53/22/1129665322.db2.gz GWFHQZUYHRURGS-UHFFFAOYSA-N 0 3 297.446 3.867 20 10 CHCDHN CC(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(O)c1[O-] ZINC001169062018 1129694361 /nfs/dbraw/zinc/69/43/61/1129694361.db2.gz PSKSPDSXPQZTGB-KRWDZBQOSA-N 0 3 299.414 3.845 20 10 CHCDHN C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796481218 1129741820 /nfs/dbraw/zinc/74/18/20/1129741820.db2.gz CPDZBNWHUZWOHS-GUYCJALGSA-N 0 3 299.439 3.900 20 10 CHCDHN C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccccc1[O-] ZINC000828655697 1131394725 /nfs/dbraw/zinc/39/47/25/1131394725.db2.gz GJTYXPGTSYWAQQ-SKDRFNHKSA-N 0 3 274.191 3.627 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccccc1[O-] ZINC000828687179 1131396294 /nfs/dbraw/zinc/39/62/94/1131396294.db2.gz GCAQSEAIYRPXCC-UCLAIMLFSA-N 0 3 299.414 3.598 20 10 CHCDHN CCN(Cc1cccs1)Cc1ccc(N(C)C)c(F)c1 ZINC000768199139 1129839543 /nfs/dbraw/zinc/83/95/43/1129839543.db2.gz ZYMHGDHNLHZSTM-UHFFFAOYSA-N 0 3 292.423 3.975 20 10 CHCDHN CCOc1ccc(C[N@H+](CC)Cc2cccs2)c([O-])c1 ZINC000768197779 1129843715 /nfs/dbraw/zinc/84/37/15/1129843715.db2.gz NRAPPMYJFISOOC-UHFFFAOYSA-N 0 3 291.416 3.875 20 10 CHCDHN CCOc1ccc(C[N@@H+](CC)Cc2cccs2)c([O-])c1 ZINC000768197779 1129843721 /nfs/dbraw/zinc/84/37/21/1129843721.db2.gz NRAPPMYJFISOOC-UHFFFAOYSA-N 0 3 291.416 3.875 20 10 CHCDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000768232415 1129845078 /nfs/dbraw/zinc/84/50/78/1129845078.db2.gz AAKXEJMSIPHQHM-GOSISDBHSA-N 0 3 297.398 3.910 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC000768232415 1129845084 /nfs/dbraw/zinc/84/50/84/1129845084.db2.gz AAKXEJMSIPHQHM-GOSISDBHSA-N 0 3 297.398 3.910 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])[C@H]1CCCOC1 ZINC000723991087 1129851746 /nfs/dbraw/zinc/85/17/46/1129851746.db2.gz ZANHWFQCEXIXJZ-YCPHGPKFSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CC2CCC1CC2 ZINC000381987310 1129853766 /nfs/dbraw/zinc/85/37/66/1129853766.db2.gz XBLKXEAFJJSWKV-WLIAPVHPSA-N 0 3 259.393 3.697 20 10 CHCDHN COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000768541517 1129862584 /nfs/dbraw/zinc/86/25/84/1129862584.db2.gz ORSHMNSCFTWTLP-CYBMUJFWSA-N 0 3 297.826 3.603 20 10 CHCDHN COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000768541517 1129862587 /nfs/dbraw/zinc/86/25/87/1129862587.db2.gz ORSHMNSCFTWTLP-CYBMUJFWSA-N 0 3 297.826 3.603 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccnc2ccccc12 ZINC000768874010 1129877668 /nfs/dbraw/zinc/87/76/68/1129877668.db2.gz XVQIFQKBZULRAA-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccnc2ccccc12 ZINC000768874010 1129877671 /nfs/dbraw/zinc/87/76/71/1129877671.db2.gz XVQIFQKBZULRAA-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]1c1ccccc1 ZINC000768873539 1129878247 /nfs/dbraw/zinc/87/82/47/1129878247.db2.gz PJSJDGDNUOMNRF-SJORKVTESA-N 0 3 267.372 3.628 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]1c1ccccc1 ZINC000768873539 1129878254 /nfs/dbraw/zinc/87/82/54/1129878254.db2.gz PJSJDGDNUOMNRF-SJORKVTESA-N 0 3 267.372 3.628 20 10 CHCDHN CCSCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000800492106 1129879609 /nfs/dbraw/zinc/87/96/09/1129879609.db2.gz BXSQCQSGCQTLTB-CMPLNLGQSA-N 0 3 283.412 3.812 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1[O-] ZINC000800496239 1129880486 /nfs/dbraw/zinc/88/04/86/1129880486.db2.gz UMPACILOIJIFRV-IAQYHMDHSA-N 0 3 287.790 3.864 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)c([O-])c1 ZINC000769246326 1129898674 /nfs/dbraw/zinc/89/86/74/1129898674.db2.gz ZOYFRHGEQVWYSS-INIZCTEOSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c([O-])c1 ZINC000769246326 1129898680 /nfs/dbraw/zinc/89/86/80/1129898680.db2.gz ZOYFRHGEQVWYSS-INIZCTEOSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c([O-])c1 ZINC000769402110 1129905914 /nfs/dbraw/zinc/90/59/14/1129905914.db2.gz AXXRBNWDFNMIJL-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CC(C)C)C2)c([O-])c1 ZINC000769402110 1129905917 /nfs/dbraw/zinc/90/59/17/1129905917.db2.gz AXXRBNWDFNMIJL-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN CCC[C@]1(C)CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000769452571 1129911003 /nfs/dbraw/zinc/91/10/03/1129911003.db2.gz YAZWPVUSZPWBQE-QGZVFWFLSA-N 0 3 277.408 3.803 20 10 CHCDHN CCC[C@]1(C)CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000769452571 1129911005 /nfs/dbraw/zinc/91/10/05/1129911005.db2.gz YAZWPVUSZPWBQE-QGZVFWFLSA-N 0 3 277.408 3.803 20 10 CHCDHN CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769507486 1129914796 /nfs/dbraw/zinc/91/47/96/1129914796.db2.gz LXUUFHQTFWOPBG-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769507486 1129914798 /nfs/dbraw/zinc/91/47/98/1129914798.db2.gz LXUUFHQTFWOPBG-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769537598 1129916534 /nfs/dbraw/zinc/91/65/34/1129916534.db2.gz MSRKAEYMFXUEEJ-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769537598 1129916535 /nfs/dbraw/zinc/91/65/35/1129916535.db2.gz MSRKAEYMFXUEEJ-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1 ZINC000801596602 1129931985 /nfs/dbraw/zinc/93/19/85/1129931985.db2.gz HCGUVCNPWBTHTH-LJQANCHMSA-N 0 3 299.414 3.728 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1 ZINC000801596602 1129931988 /nfs/dbraw/zinc/93/19/88/1129931988.db2.gz HCGUVCNPWBTHTH-LJQANCHMSA-N 0 3 299.414 3.728 20 10 CHCDHN CCCC[N@H+](CCCSC)Cc1ccccc1[O-] ZINC000801596711 1129932273 /nfs/dbraw/zinc/93/22/73/1129932273.db2.gz LKFSWLRCBFFQET-UHFFFAOYSA-N 0 3 267.438 3.747 20 10 CHCDHN CCCC[N@@H+](CCCSC)Cc1ccccc1[O-] ZINC000801596711 1129932274 /nfs/dbraw/zinc/93/22/74/1129932274.db2.gz LKFSWLRCBFFQET-UHFFFAOYSA-N 0 3 267.438 3.747 20 10 CHCDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1[O-] ZINC000770510856 1129949339 /nfs/dbraw/zinc/94/93/39/1129949339.db2.gz SIXBAWJQQHFQHH-CZUORRHYSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccccc1[O-] ZINC000770510856 1129949342 /nfs/dbraw/zinc/94/93/42/1129949342.db2.gz SIXBAWJQQHFQHH-CZUORRHYSA-N 0 3 285.362 3.909 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000770739388 1129957670 /nfs/dbraw/zinc/95/76/70/1129957670.db2.gz AHKFFORCXGPSFT-NVXWUHKLSA-N 0 3 297.398 3.827 20 10 CHCDHN C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000802309031 1129991307 /nfs/dbraw/zinc/99/13/07/1129991307.db2.gz MSTRTMKDKNWWCP-JHJVBQTASA-N 0 3 295.398 3.776 20 10 CHCDHN CCOc1cccc(CN2CC[C@H]2c2ccccc2)c1O ZINC000771938444 1129997219 /nfs/dbraw/zinc/99/72/19/1129997219.db2.gz LTJLQJIVBULNAO-INIZCTEOSA-N 0 3 283.371 3.738 20 10 CHCDHN CC1(C[N@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000787040423 1130127047 /nfs/dbraw/zinc/12/70/47/1130127047.db2.gz HMEOLYXCPDMIPN-UHFFFAOYSA-N 0 3 271.360 3.788 20 10 CHCDHN CC1(C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])CC1 ZINC000787040423 1130127050 /nfs/dbraw/zinc/12/70/50/1130127050.db2.gz HMEOLYXCPDMIPN-UHFFFAOYSA-N 0 3 271.360 3.788 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCOC12CCCCC2)c1ccccc1[O-] ZINC000903274196 1130142777 /nfs/dbraw/zinc/14/27/77/1130142777.db2.gz JPDFFQUFANDSPR-CJNGLKHVSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccccc1[O-] ZINC000903337541 1130161598 /nfs/dbraw/zinc/16/15/98/1130161598.db2.gz DUOHKGNOIDCJOT-SJCJKPOMSA-N 0 3 268.360 3.589 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)CC2 ZINC000903336506 1130161630 /nfs/dbraw/zinc/16/16/30/1130161630.db2.gz ZOBFKWQQPDZTQY-KSSFIOAISA-N 0 3 280.371 3.515 20 10 CHCDHN CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](O)c1ccccc1 ZINC000788624882 1130199269 /nfs/dbraw/zinc/19/92/69/1130199269.db2.gz HCUKQVYEZQNOBK-GDIGMMSISA-N 0 3 299.414 3.801 20 10 CHCDHN CCc1ccc([C@H](O)C[NH2+][C@@H](CC)c2ccccc2[O-])cc1 ZINC000789363047 1130247441 /nfs/dbraw/zinc/24/74/41/1130247441.db2.gz RJXLQQOVVBVARS-PKOBYXMFSA-N 0 3 299.414 3.729 20 10 CHCDHN CCOC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000789590334 1130262357 /nfs/dbraw/zinc/26/23/57/1130262357.db2.gz XNEWYKWKWMLEIN-AWEZNQCLSA-N 0 3 285.815 3.505 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)c([O-])c1 ZINC000792182272 1130436966 /nfs/dbraw/zinc/43/69/66/1130436966.db2.gz ZVRVIKLQLYZTPT-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)c([O-])c1 ZINC000792182272 1130436977 /nfs/dbraw/zinc/43/69/77/1130436977.db2.gz ZVRVIKLQLYZTPT-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCC[N@H+](Cc1cc(C)ccn1)Cc1ccccc1[O-] ZINC000792232464 1130438811 /nfs/dbraw/zinc/43/88/11/1130438811.db2.gz LYCITPOJYVPHCY-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1cc(C)ccn1)Cc1ccccc1[O-] ZINC000792232464 1130438816 /nfs/dbraw/zinc/43/88/16/1130438816.db2.gz LYCITPOJYVPHCY-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CC1CCN(c2ccc(CNCC3(F)CC3)cc2)CC1 ZINC000792976019 1130508393 /nfs/dbraw/zinc/50/83/93/1130508393.db2.gz KISRUEAVRXBOAO-UHFFFAOYSA-N 0 3 276.399 3.515 20 10 CHCDHN CSc1ccccc1C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000793232262 1130533233 /nfs/dbraw/zinc/53/32/33/1130533233.db2.gz KUHLLDZKLPILTL-UHFFFAOYSA-N 0 3 291.391 3.885 20 10 CHCDHN CSc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000793232262 1130533238 /nfs/dbraw/zinc/53/32/38/1130533238.db2.gz KUHLLDZKLPILTL-UHFFFAOYSA-N 0 3 291.391 3.885 20 10 CHCDHN CSc1ccccc1CN(C)Cc1cc(F)ccc1O ZINC000793232262 1130533243 /nfs/dbraw/zinc/53/32/43/1130533243.db2.gz KUHLLDZKLPILTL-UHFFFAOYSA-N 0 3 291.391 3.885 20 10 CHCDHN CCC[N@H+](CCc1ncc(C)cc1C)Cc1ccccc1[O-] ZINC000827959152 1130682809 /nfs/dbraw/zinc/68/28/09/1130682809.db2.gz MJJVVCOQDUUFNL-UHFFFAOYSA-N 0 3 298.430 3.859 20 10 CHCDHN CCC[N@@H+](CCc1ncc(C)cc1C)Cc1ccccc1[O-] ZINC000827959152 1130682811 /nfs/dbraw/zinc/68/28/11/1130682811.db2.gz MJJVVCOQDUUFNL-UHFFFAOYSA-N 0 3 298.430 3.859 20 10 CHCDHN CC1(C)COCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996548 1130700841 /nfs/dbraw/zinc/70/08/41/1130700841.db2.gz IZDUKBBCCKIRIA-UHFFFAOYSA-N 0 3 297.398 3.670 20 10 CHCDHN CC1(C)COCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996548 1130700844 /nfs/dbraw/zinc/70/08/44/1130700844.db2.gz IZDUKBBCCKIRIA-UHFFFAOYSA-N 0 3 297.398 3.670 20 10 CHCDHN [O-]c1c(C[NH+]2CCSCC2)cccc1-c1ccccc1 ZINC001235001431 1130700929 /nfs/dbraw/zinc/70/09/29/1130700929.db2.gz MYSLOTNVWCXPIE-UHFFFAOYSA-N 0 3 285.412 3.608 20 10 CHCDHN CO[C@](C)(C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000812734885 1130709936 /nfs/dbraw/zinc/70/99/36/1130709936.db2.gz UIXVXDAJTBWKFK-BDJLRTHQSA-N 0 3 297.826 3.820 20 10 CHCDHN CCSC1(C[NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000691787633 1130717875 /nfs/dbraw/zinc/71/78/75/1130717875.db2.gz NTMOIRZSILNRPJ-CYBMUJFWSA-N 0 3 265.422 3.719 20 10 CHCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C[C@H]1CCCCO1 ZINC001235685410 1130768492 /nfs/dbraw/zinc/76/84/92/1130768492.db2.gz PTSKTMTVWBNOLC-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C[C@H]1CCCCO1 ZINC001235685410 1130768494 /nfs/dbraw/zinc/76/84/94/1130768494.db2.gz PTSKTMTVWBNOLC-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783505770 1130831085 /nfs/dbraw/zinc/83/10/85/1130831085.db2.gz QCMGONMUGBOLIF-KBPBESRZSA-N 0 3 271.360 3.510 20 10 CHCDHN CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000783504787 1130831636 /nfs/dbraw/zinc/83/16/36/1130831636.db2.gz MRFHXSHLGCBRRH-ZDUSSCGKSA-N 0 3 298.386 3.592 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1c(C)nn(C)c1C ZINC000783517996 1130832407 /nfs/dbraw/zinc/83/24/07/1130832407.db2.gz MJIKVBFCSKOSAX-NHYWBVRUSA-N 0 3 287.407 3.544 20 10 CHCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783513860 1130833008 /nfs/dbraw/zinc/83/30/08/1130833008.db2.gz NSTXKZYXBLPDTL-AWEZNQCLSA-N 0 3 284.403 3.617 20 10 CHCDHN CCC(CC)(C[NH2+]Cc1cc(Cl)cc(C)c1[O-])OC ZINC000814177607 1130835090 /nfs/dbraw/zinc/83/50/90/1130835090.db2.gz IFQAALXSNKPSQF-UHFFFAOYSA-N 0 3 285.815 3.649 20 10 CHCDHN CCCCn1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)n1 ZINC000783525650 1130835298 /nfs/dbraw/zinc/83/52/98/1130835298.db2.gz MPJSQRMGINENDS-AWEZNQCLSA-N 0 3 287.407 3.548 20 10 CHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc1C(C)C ZINC000783546686 1130836992 /nfs/dbraw/zinc/83/69/92/1130836992.db2.gz SLLSXRTVRJWXLG-ZNMIVQPWSA-N 0 3 291.435 3.822 20 10 CHCDHN Cc1cc(C)c(O)c(CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000814229670 1130849620 /nfs/dbraw/zinc/84/96/20/1130849620.db2.gz COSOPAKDFPFZAI-SFHVURJKSA-N 0 3 296.414 3.987 20 10 CHCDHN CCc1cnccc1[C@@H](C)NCc1ccc(N(C)C)c(C)c1 ZINC000815091211 1130954458 /nfs/dbraw/zinc/95/44/58/1130954458.db2.gz OBJKDSJDDCDNRS-OAHLLOKOSA-N 0 3 297.446 3.869 20 10 CHCDHN C[C@H](F)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000815148758 1130967199 /nfs/dbraw/zinc/96/71/99/1130967199.db2.gz JDVFHGQXDOEBKA-ZDUSSCGKSA-N 0 3 273.351 3.897 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC001236787235 1131005908 /nfs/dbraw/zinc/00/59/08/1131005908.db2.gz APSULZJHMJSYTI-GDBMZVCRSA-N 0 3 259.393 3.719 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC001236787235 1131005915 /nfs/dbraw/zinc/00/59/15/1131005915.db2.gz APSULZJHMJSYTI-GDBMZVCRSA-N 0 3 259.393 3.719 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@](C)(F)CC2)c([O-])c1 ZINC001236784336 1131006805 /nfs/dbraw/zinc/00/68/05/1131006805.db2.gz UYGCCFPFUWBDIX-INIZCTEOSA-N 0 3 265.372 3.669 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@](C)(F)CC2)c([O-])c1 ZINC001236784336 1131006810 /nfs/dbraw/zinc/00/68/10/1131006810.db2.gz UYGCCFPFUWBDIX-INIZCTEOSA-N 0 3 265.372 3.669 20 10 CHCDHN CC1=CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000797822640 1131007870 /nfs/dbraw/zinc/00/78/70/1131007870.db2.gz CXJYYHOQMHVNKC-UHFFFAOYSA-N 0 3 253.345 3.697 20 10 CHCDHN CC1=CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000797822640 1131007873 /nfs/dbraw/zinc/00/78/73/1131007873.db2.gz CXJYYHOQMHVNKC-UHFFFAOYSA-N 0 3 253.345 3.697 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000815576439 1131008232 /nfs/dbraw/zinc/00/82/32/1131008232.db2.gz QHXNNJRSJXABJR-LSDHHAIUSA-N 0 3 299.414 3.996 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H](C)F)c1[O-] ZINC000815645451 1131014926 /nfs/dbraw/zinc/01/49/26/1131014926.db2.gz FYWUYUWNKMITBP-UWVGGRQHSA-N 0 3 259.752 3.753 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c([O-])c1 ZINC000815648135 1131017064 /nfs/dbraw/zinc/01/70/64/1131017064.db2.gz FKTGCNKSYMXWRN-ZBFHGGJFSA-N 0 3 291.435 3.540 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+](CC1CC1)C1CC1 ZINC001236835244 1131019393 /nfs/dbraw/zinc/01/93/93/1131019393.db2.gz FMPVNHLNLJTUIR-UHFFFAOYSA-N 0 3 267.372 3.920 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+](CC1CC1)C1CC1 ZINC001236835244 1131019399 /nfs/dbraw/zinc/01/93/99/1131019399.db2.gz FMPVNHLNLJTUIR-UHFFFAOYSA-N 0 3 267.372 3.920 20 10 CHCDHN CC[N@H+](Cc1ccccn1)Cc1cc2ccccc2cc1[O-] ZINC001236834112 1131019648 /nfs/dbraw/zinc/01/96/48/1131019648.db2.gz UVTQLKGHMXJVOL-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccn1)Cc1cc2ccccc2cc1[O-] ZINC001236834112 1131019651 /nfs/dbraw/zinc/01/96/51/1131019651.db2.gz UVTQLKGHMXJVOL-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CCO[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236842068 1131020278 /nfs/dbraw/zinc/02/02/78/1131020278.db2.gz SYBMYPKVKKVRRL-KRWDZBQOSA-N 0 3 285.387 3.546 20 10 CHCDHN CCO[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236842068 1131020283 /nfs/dbraw/zinc/02/02/83/1131020283.db2.gz SYBMYPKVKKVRRL-KRWDZBQOSA-N 0 3 285.387 3.546 20 10 CHCDHN CC1(C)C[N@H+](Cc2cc3ccccc3cc2[O-])CCCO1 ZINC001236841428 1131020471 /nfs/dbraw/zinc/02/04/71/1131020471.db2.gz JXQAJHIHYBWVCR-UHFFFAOYSA-N 0 3 285.387 3.546 20 10 CHCDHN CC1(C)C[N@@H+](Cc2cc3ccccc3cc2[O-])CCCO1 ZINC001236841428 1131020477 /nfs/dbraw/zinc/02/04/77/1131020477.db2.gz JXQAJHIHYBWVCR-UHFFFAOYSA-N 0 3 285.387 3.546 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001237043452 1131038390 /nfs/dbraw/zinc/03/83/90/1131038390.db2.gz OGPCHRFQGRITHB-CABCVRRESA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001237043452 1131038397 /nfs/dbraw/zinc/03/83/97/1131038397.db2.gz OGPCHRFQGRITHB-CABCVRRESA-N 0 3 289.419 3.803 20 10 CHCDHN Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000798502155 1131038757 /nfs/dbraw/zinc/03/87/57/1131038757.db2.gz WOVZWPPIAGYQFC-WKILWMFISA-N 0 3 267.372 3.736 20 10 CHCDHN CCCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237051176 1131041091 /nfs/dbraw/zinc/04/10/91/1131041091.db2.gz IFGLXQGLJAQRAE-UHFFFAOYSA-N 0 3 291.313 3.565 20 10 CHCDHN CCCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237051176 1131041098 /nfs/dbraw/zinc/04/10/98/1131041098.db2.gz IFGLXQGLJAQRAE-UHFFFAOYSA-N 0 3 291.313 3.565 20 10 CHCDHN CC(C)c1ccc(CN2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001237048489 1131041202 /nfs/dbraw/zinc/04/12/02/1131041202.db2.gz GYRNCTMJRKWWFJ-KRWDZBQOSA-N 0 3 297.402 3.643 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001237045797 1131041280 /nfs/dbraw/zinc/04/12/80/1131041280.db2.gz KXLYKEPEYOKJFL-GASCZTMLSA-N 0 3 259.393 3.748 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001237045797 1131041283 /nfs/dbraw/zinc/04/12/83/1131041283.db2.gz KXLYKEPEYOKJFL-GASCZTMLSA-N 0 3 259.393 3.748 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)c([O-])c1 ZINC000798938541 1131062835 /nfs/dbraw/zinc/06/28/35/1131062835.db2.gz YQEKCCGPTWOUDK-ZBFHGGJFSA-N 0 3 291.435 3.540 20 10 CHCDHN COc1ccc([C@@H](C)[N@H+](C)Cc2c(C)cccc2[O-])cc1 ZINC001237487377 1131104304 /nfs/dbraw/zinc/10/43/04/1131104304.db2.gz IFRYMNGHPBAQLB-CQSZACIVSA-N 0 3 285.387 3.902 20 10 CHCDHN COc1ccc([C@@H](C)[N@@H+](C)Cc2c(C)cccc2[O-])cc1 ZINC001237487377 1131104305 /nfs/dbraw/zinc/10/43/05/1131104305.db2.gz IFRYMNGHPBAQLB-CQSZACIVSA-N 0 3 285.387 3.902 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001237492077 1131104378 /nfs/dbraw/zinc/10/43/78/1131104378.db2.gz OGVYLTXROLCEPD-UHFFFAOYSA-N 0 3 281.399 3.994 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001237492077 1131104379 /nfs/dbraw/zinc/10/43/79/1131104379.db2.gz OGVYLTXROLCEPD-UHFFFAOYSA-N 0 3 281.399 3.994 20 10 CHCDHN CN(CC[NH2+]Cc1ccc2ccccc2c1[O-])C1CCCC1 ZINC000816547755 1131106882 /nfs/dbraw/zinc/10/68/82/1131106882.db2.gz IAMCACWKFBOYEC-UHFFFAOYSA-N 0 3 298.430 3.509 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+]C2(C(C)C)CC2)c1[O-] ZINC000816644331 1131117994 /nfs/dbraw/zinc/11/79/94/1131117994.db2.gz JRHMMZGMWSOTSM-UHFFFAOYSA-N 0 3 298.224 3.741 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(CF)C2)c1[O-] ZINC001237682078 1131126831 /nfs/dbraw/zinc/12/68/31/1131126831.db2.gz XIZYAZCLNPDMNR-CQSZACIVSA-N 0 3 271.763 3.536 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@](C)(CF)C2)c1[O-] ZINC001237682078 1131126835 /nfs/dbraw/zinc/12/68/35/1131126835.db2.gz XIZYAZCLNPDMNR-CQSZACIVSA-N 0 3 271.763 3.536 20 10 CHCDHN CC[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237678561 1131127022 /nfs/dbraw/zinc/12/70/22/1131127022.db2.gz JITCQOHYKIVBJE-GFCCVEGCSA-N 0 3 298.224 3.838 20 10 CHCDHN CC[C@@H]1CCC[N@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237678561 1131127025 /nfs/dbraw/zinc/12/70/25/1131127025.db2.gz JITCQOHYKIVBJE-GFCCVEGCSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC001237689884 1131128132 /nfs/dbraw/zinc/12/81/32/1131128132.db2.gz RIOREIJSKPZVIS-CQSZACIVSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC001237689884 1131128134 /nfs/dbraw/zinc/12/81/34/1131128134.db2.gz RIOREIJSKPZVIS-CQSZACIVSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)CCc2ccccc2)c1[O-] ZINC001238059022 1131165269 /nfs/dbraw/zinc/16/52/69/1131165269.db2.gz YBFJJKBAGSXYJW-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)CCc2ccccc2)c1[O-] ZINC001238059022 1131165272 /nfs/dbraw/zinc/16/52/72/1131165272.db2.gz YBFJJKBAGSXYJW-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c1[O-] ZINC001238057402 1131165745 /nfs/dbraw/zinc/16/57/45/1131165745.db2.gz KPJKTCICHCTCAT-LLVKDONJSA-N 0 3 287.325 3.707 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c1[O-] ZINC001238057402 1131165747 /nfs/dbraw/zinc/16/57/47/1131165747.db2.gz KPJKTCICHCTCAT-LLVKDONJSA-N 0 3 287.325 3.707 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1[O-] ZINC001238067377 1131166760 /nfs/dbraw/zinc/16/67/60/1131166760.db2.gz SUUUVFQHOZVVDU-QGZVFWFLSA-N 0 3 285.362 3.959 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c1[O-] ZINC001238067377 1131166765 /nfs/dbraw/zinc/16/67/65/1131166765.db2.gz SUUUVFQHOZVVDU-QGZVFWFLSA-N 0 3 285.362 3.959 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccccc1[O-] ZINC000817975706 1131194120 /nfs/dbraw/zinc/19/41/20/1131194120.db2.gz QEUHVRFBZXCREN-QGZVFWFLSA-N 0 3 296.414 3.991 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC12CC2 ZINC000818229967 1131206015 /nfs/dbraw/zinc/20/60/15/1131206015.db2.gz JYCQNRGNXKAGHS-QGZVFWFLSA-N 0 3 265.356 3.701 20 10 CHCDHN FC[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138222126 1131478837 /nfs/dbraw/zinc/47/88/37/1131478837.db2.gz HRBDEYGWNSUMAN-QGZVFWFLSA-N 0 3 276.399 3.611 20 10 CHCDHN CC[N@H+](Cc1ccc2ccn(C)c2c1)Cc1ccccc1[O-] ZINC001139206610 1131596048 /nfs/dbraw/zinc/59/60/48/1131596048.db2.gz GMVWQJGDUMJGHC-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN CC[N@@H+](Cc1ccc2ccn(C)c2c1)Cc1ccccc1[O-] ZINC001139206610 1131596051 /nfs/dbraw/zinc/59/60/51/1131596051.db2.gz GMVWQJGDUMJGHC-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN CCOc1ccc(C)cc1CN(C)Cc1ccccc1O ZINC001139607598 1131621498 /nfs/dbraw/zinc/62/14/98/1131621498.db2.gz XCXAZJKQDQIIBD-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1c(C)ccc(C)c1O ZINC001140184521 1131674406 /nfs/dbraw/zinc/67/44/06/1131674406.db2.gz XZAMISUMLBHHCX-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1c(C)ccc(C)c1O ZINC001140184521 1131674408 /nfs/dbraw/zinc/67/44/08/1131674408.db2.gz XZAMISUMLBHHCX-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN Cc1ccccc1C1([NH2+]Cc2ccccc2[O-])CCC1 ZINC000845994687 1131679100 /nfs/dbraw/zinc/67/91/00/1131679100.db2.gz ILDOJVOYSKXTOJ-UHFFFAOYSA-N 0 3 267.372 3.870 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CSCc3ccccc31)CC2 ZINC000834545327 1131682785 /nfs/dbraw/zinc/68/27/85/1131682785.db2.gz YETYRCYXXDWMES-HOTGVXAUSA-N 0 3 297.423 3.957 20 10 CHCDHN CN(C)c1ccc(CN2CCC3(CC3(F)F)CC2)cc1F ZINC000846054259 1131685274 /nfs/dbraw/zinc/68/52/74/1131685274.db2.gz JJRZFWQHDCWFLL-UHFFFAOYSA-N 0 3 298.352 3.513 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(c3cccc(F)c3)CC1)CC2 ZINC000834598602 1131686432 /nfs/dbraw/zinc/68/64/32/1131686432.db2.gz RGJMKLKKGPYUKT-MRXNPFEDSA-N 0 3 297.373 3.840 20 10 CHCDHN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000834639751 1131689920 /nfs/dbraw/zinc/68/99/20/1131689920.db2.gz ASQRMYFGIKFAKU-DLBZAZTESA-N 0 3 279.383 3.965 20 10 CHCDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1CCCCO1 ZINC000834680627 1131693246 /nfs/dbraw/zinc/69/32/46/1131693246.db2.gz CYDLMTYWJCUSEO-HOCLYGCPSA-N 0 3 289.419 3.564 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC000834793989 1131706556 /nfs/dbraw/zinc/70/65/56/1131706556.db2.gz LOGGGDUKXSVCHI-HOTGVXAUSA-N 0 3 299.801 3.790 20 10 CHCDHN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc(C)cc1O ZINC000834895982 1131721659 /nfs/dbraw/zinc/72/16/59/1131721659.db2.gz RVIDWFLDJIOEBP-VHDGCEQUSA-N 0 3 285.391 3.644 20 10 CHCDHN Cc1ccc2c(c1)CCN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC001171330776 1131852483 /nfs/dbraw/zinc/85/24/83/1131852483.db2.gz FNSJBWUJDWSWSW-UHFFFAOYSA-N 0 3 294.442 3.928 20 10 CHCDHN Cc1ncc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)s1 ZINC000773000463 1131916164 /nfs/dbraw/zinc/91/61/64/1131916164.db2.gz PTQMEZHEUDGTLM-GFCCVEGCSA-N 0 3 289.448 3.677 20 10 CHCDHN Cc1ccc(CN2Cc3cccc(C)c3C2)c(O)c1 ZINC001140947875 1131969503 /nfs/dbraw/zinc/96/95/03/1131969503.db2.gz JEYRJNZSAPMMEP-UHFFFAOYSA-N 0 3 253.345 3.525 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001140948009 1131969957 /nfs/dbraw/zinc/96/99/57/1131969957.db2.gz PDRZCFIZEGQIQC-UHFFFAOYSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001140948009 1131969963 /nfs/dbraw/zinc/96/99/63/1131969963.db2.gz PDRZCFIZEGQIQC-UHFFFAOYSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC001140955090 1131972247 /nfs/dbraw/zinc/97/22/47/1131972247.db2.gz QUHSCIOKWYQLKN-KRWDZBQOSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC001140955090 1131972252 /nfs/dbraw/zinc/97/22/52/1131972252.db2.gz QUHSCIOKWYQLKN-KRWDZBQOSA-N 0 3 267.372 3.820 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccns1)c1ccccc1[O-] ZINC000715968774 1132000694 /nfs/dbraw/zinc/00/06/94/1132000694.db2.gz VKPYEYKNWFLKFY-ZYHUDNBSSA-N 0 3 262.378 3.651 20 10 CHCDHN COc1ccccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037195518 1132008835 /nfs/dbraw/zinc/00/88/35/1132008835.db2.gz YISGIWGLTWGGGR-CQSZACIVSA-N 0 3 284.403 3.612 20 10 CHCDHN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(O)ccc1O ZINC001141160556 1132031934 /nfs/dbraw/zinc/03/19/34/1132031934.db2.gz FAYXFMFLPVVVEV-LLVKDONJSA-N 0 3 291.778 3.944 20 10 CHCDHN C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C[C@H]1C ZINC001172379575 1132170771 /nfs/dbraw/zinc/17/07/71/1132170771.db2.gz ORFCPCVCZOOULJ-NFAWXSAZSA-N 0 3 259.393 3.575 20 10 CHCDHN C[C@@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C[C@H]1C ZINC001172379575 1132170774 /nfs/dbraw/zinc/17/07/74/1132170774.db2.gz ORFCPCVCZOOULJ-NFAWXSAZSA-N 0 3 259.393 3.575 20 10 CHCDHN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000839190907 1132190100 /nfs/dbraw/zinc/19/01/00/1132190100.db2.gz CFFKZJXIBIQBJH-MJGOQNOKSA-N 0 3 297.398 3.716 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1cc(F)ccc1[O-] ZINC000840788792 1132288196 /nfs/dbraw/zinc/28/81/96/1132288196.db2.gz TUBSCVGNNAPDBU-JMPLFQLZSA-N 0 3 289.325 3.877 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)c1ccc(C)cc1[O-] ZINC000840807189 1132289249 /nfs/dbraw/zinc/28/92/49/1132289249.db2.gz RANLTACDSWUVBU-USXIJHARSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@@H]([NH2+]C1CCC(COC)CC1)c1ccc(C)cc1[O-] ZINC000840875922 1132299977 /nfs/dbraw/zinc/29/99/77/1132299977.db2.gz KXMHZZGOVKZBIQ-VMBOVVBDSA-N 0 3 291.435 3.947 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001231588825 1132318049 /nfs/dbraw/zinc/31/80/49/1132318049.db2.gz VSBKONZPPDHTOC-CQSZACIVSA-N 0 3 273.351 3.869 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC[C@@H](F)C1 ZINC001231588825 1132318055 /nfs/dbraw/zinc/31/80/55/1132318055.db2.gz VSBKONZPPDHTOC-CQSZACIVSA-N 0 3 273.351 3.869 20 10 CHCDHN C[C@]1(CF)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588507 1132319088 /nfs/dbraw/zinc/31/90/88/1132319088.db2.gz RZIQZPUAGJQIHB-QGZVFWFLSA-N 0 3 273.351 3.727 20 10 CHCDHN C[C@]1(CF)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588507 1132319093 /nfs/dbraw/zinc/31/90/93/1132319093.db2.gz RZIQZPUAGJQIHB-QGZVFWFLSA-N 0 3 273.351 3.727 20 10 CHCDHN Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC001172835655 1132327180 /nfs/dbraw/zinc/32/71/80/1132327180.db2.gz ONGDMDLTXDGTHJ-YOEHRIQHSA-N 0 3 281.399 3.909 20 10 CHCDHN CC(C)N1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841759063 1132394871 /nfs/dbraw/zinc/39/48/71/1132394871.db2.gz NGVSZKDSAUSVLI-GFCCVEGCSA-N 0 3 296.842 3.569 20 10 CHCDHN CCC[N@H+](Cc1cc(Cl)c([O-])cc1O)[C@@H](C)CC ZINC001232257321 1132444417 /nfs/dbraw/zinc/44/44/17/1132444417.db2.gz AJWMOHSKIKKMEN-JTQLQIEISA-N 0 3 271.788 3.762 20 10 CHCDHN CC(C)C[NH+](Cc1cc(Cl)c([O-])cc1O)CC(C)C ZINC001232258742 1132445123 /nfs/dbraw/zinc/44/51/23/1132445123.db2.gz MXTYKRDYYWZWCV-UHFFFAOYSA-N 0 3 285.815 3.865 20 10 CHCDHN [O-]c1cc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232267799 1132447004 /nfs/dbraw/zinc/44/70/04/1132447004.db2.gz MEMHKEJRXYANLM-FZMZJTMJSA-N 0 3 295.810 3.906 20 10 CHCDHN [O-]c1cc(O)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232267799 1132447008 /nfs/dbraw/zinc/44/70/08/1132447008.db2.gz MEMHKEJRXYANLM-FZMZJTMJSA-N 0 3 295.810 3.906 20 10 CHCDHN CN(Cc1ccccn1)Cc1cccc(C(C)(C)C)c1O ZINC001143103644 1132502702 /nfs/dbraw/zinc/50/27/02/1132502702.db2.gz IHZSZZUIGFAMFZ-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN CN(C)c1ccc(C[NH+]2CCCCCCCC2)c([O-])c1 ZINC001232841477 1132529396 /nfs/dbraw/zinc/52/93/96/1132529396.db2.gz IABZCVKHPMMNON-UHFFFAOYSA-N 0 3 276.424 3.614 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC2(CC=CC2)[C@H]1C(C)C ZINC000843432591 1132534032 /nfs/dbraw/zinc/53/40/32/1132534032.db2.gz ZERHMGQDIIBKLI-QGZVFWFLSA-N 0 3 287.403 3.577 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC2(CC=CC2)[C@H]1C(C)C ZINC000843432591 1132534038 /nfs/dbraw/zinc/53/40/38/1132534038.db2.gz ZERHMGQDIIBKLI-QGZVFWFLSA-N 0 3 287.403 3.577 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC23CCCCC3)c1[O-] ZINC001233287735 1132596705 /nfs/dbraw/zinc/59/67/05/1132596705.db2.gz FWZGIHPJXMUUBX-UHFFFAOYSA-N 0 3 295.810 3.963 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC23CCCCC3)c1[O-] ZINC001233287735 1132596713 /nfs/dbraw/zinc/59/67/13/1132596713.db2.gz FWZGIHPJXMUUBX-UHFFFAOYSA-N 0 3 295.810 3.963 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c1[O-] ZINC001233287888 1132598119 /nfs/dbraw/zinc/59/81/19/1132598119.db2.gz LJLQVHFZKLLPGD-VXGBXAGGSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1[O-] ZINC001233287888 1132598125 /nfs/dbraw/zinc/59/81/25/1132598125.db2.gz LJLQVHFZKLLPGD-VXGBXAGGSA-N 0 3 297.826 3.922 20 10 CHCDHN Cc1ccccc1OC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203547487 1133338931 /nfs/dbraw/zinc/33/89/31/1133338931.db2.gz OUGYIDBLNOKAKS-UHFFFAOYSA-N 0 3 297.398 3.744 20 10 CHCDHN CCCCC1(NCc2cc(F)c(N(C)C)cc2F)CC1 ZINC001203993052 1133394851 /nfs/dbraw/zinc/39/48/51/1133394851.db2.gz GDRYQFYLTFWJAC-UHFFFAOYSA-N 0 3 282.378 3.843 20 10 CHCDHN CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204273133 1133427413 /nfs/dbraw/zinc/42/74/13/1133427413.db2.gz ZKGAFLWWQBFSAX-UHFFFAOYSA-N 0 3 285.387 3.899 20 10 CHCDHN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204273133 1133427415 /nfs/dbraw/zinc/42/74/15/1133427415.db2.gz ZKGAFLWWQBFSAX-UHFFFAOYSA-N 0 3 285.387 3.899 20 10 CHCDHN C[C@@H]1SCCN(C/C=C\c2ccc(N(C)C)cc2)[C@H]1C ZINC001204768498 1133482612 /nfs/dbraw/zinc/48/26/12/1133482612.db2.gz JTMQJDLPADYMKL-LUNKNMTDSA-N 0 3 290.476 3.592 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1ccc(OC)cc1F ZINC001204934230 1133501998 /nfs/dbraw/zinc/50/19/98/1133501998.db2.gz XOOROONJSKDODV-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001204961965 1133507573 /nfs/dbraw/zinc/50/75/73/1133507573.db2.gz YFSOGHVOCKUOSA-NUEKZKHPSA-N 0 3 259.393 3.711 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001204961965 1133507576 /nfs/dbraw/zinc/50/75/76/1133507576.db2.gz YFSOGHVOCKUOSA-NUEKZKHPSA-N 0 3 259.393 3.711 20 10 CHCDHN CC[N@H+](Cc1c(C)[nH]c2ncccc12)Cc1ccccc1[O-] ZINC001209592225 1134041714 /nfs/dbraw/zinc/04/17/14/1134041714.db2.gz DNWGHJMADABEAL-UHFFFAOYSA-N 0 3 295.386 3.599 20 10 CHCDHN CC[N@@H+](Cc1c(C)[nH]c2ncccc12)Cc1ccccc1[O-] ZINC001209592225 1134041719 /nfs/dbraw/zinc/04/17/19/1134041719.db2.gz DNWGHJMADABEAL-UHFFFAOYSA-N 0 3 295.386 3.599 20 10 CHCDHN CC[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000402657298 1134669878 /nfs/dbraw/zinc/66/98/78/1134669878.db2.gz JJSWRISMMWBODV-CMPLNLGQSA-N 0 3 287.325 3.948 20 10 CHCDHN CO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000183613701 1134672680 /nfs/dbraw/zinc/67/26/80/1134672680.db2.gz WYNGLNAUEUXHML-YVEFUNNKSA-N 0 3 289.350 3.570 20 10 CHCDHN CN(C)c1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000020129633 171018179 /nfs/dbraw/zinc/01/81/79/171018179.db2.gz STXGDVUGZRHDKH-SFHVURJKSA-N 0 3 266.388 3.530 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1[O-] ZINC000020129767 171018670 /nfs/dbraw/zinc/01/86/70/171018670.db2.gz HOPFTPJWVTZHOY-MRXNPFEDSA-N 0 3 283.371 3.568 20 10 CHCDHN COc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1[O-] ZINC000020133581 171021182 /nfs/dbraw/zinc/02/11/82/171021182.db2.gz OQMOFMJFLDMJHU-MRXNPFEDSA-N 0 3 283.371 3.568 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccccc1[O-] ZINC000020144728 171030452 /nfs/dbraw/zinc/03/04/52/171030452.db2.gz XJTOQXRKKKWXJF-QWHCGFSZSA-N 0 3 259.349 3.657 20 10 CHCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccco1 ZINC000022146680 171356835 /nfs/dbraw/zinc/35/68/35/171356835.db2.gz MYTCQOLVZRPEPD-WCQYABFASA-N 0 3 257.333 3.632 20 10 CHCDHN c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1 ZINC000035275534 172095152 /nfs/dbraw/zinc/09/51/52/172095152.db2.gz YCJNPJVTROXMBY-UHFFFAOYSA-N 0 3 266.388 3.577 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000035628710 172308505 /nfs/dbraw/zinc/30/85/05/172308505.db2.gz DUZBBNITNDGOQS-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN COc1ccc(CNCc2ccccc2C)cc1C ZINC000037489239 173231081 /nfs/dbraw/zinc/23/10/81/173231081.db2.gz ITJWRUAZVKPURV-UHFFFAOYSA-N 0 3 255.361 3.602 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000071406416 176155744 /nfs/dbraw/zinc/15/57/44/176155744.db2.gz DOZOABBJCHYAGX-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN CN(C)c1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000152862560 261070775 /nfs/dbraw/zinc/07/07/75/261070775.db2.gz UBEOJPBBNSXIQI-UHFFFAOYSA-N 0 3 284.378 3.671 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccccc1[O-] ZINC000156052725 261112536 /nfs/dbraw/zinc/11/25/36/261112536.db2.gz SMOLYRDZQXHDDK-TZMCWYRMSA-N 0 3 265.397 3.637 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H]2c2cccs2)c1[O-] ZINC000162703436 261291505 /nfs/dbraw/zinc/29/15/05/261291505.db2.gz SNCCVICAGOQUOK-ZDUSSCGKSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H]2c2cccs2)c1[O-] ZINC000162703436 261291506 /nfs/dbraw/zinc/29/15/06/261291506.db2.gz SNCCVICAGOQUOK-ZDUSSCGKSA-N 0 3 289.400 3.799 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCCCO2)c([O-])c1 ZINC000183985612 262003747 /nfs/dbraw/zinc/00/37/47/262003747.db2.gz VUXKIFWSSLLDGS-HUUCEWRRSA-N 0 3 277.408 3.701 20 10 CHCDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184916434 262033475 /nfs/dbraw/zinc/03/34/75/262033475.db2.gz SYRODAFNBVPLRY-ZDUSSCGKSA-N 0 3 298.386 3.510 20 10 CHCDHN CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185021114 262037959 /nfs/dbraw/zinc/03/79/59/262037959.db2.gz UYRGZESSFGJLBC-ZDUSSCGKSA-N 0 3 298.386 3.510 20 10 CHCDHN CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000185102006 262040828 /nfs/dbraw/zinc/04/08/28/262040828.db2.gz NCKDFIKUZPOZOO-KDOFPFPSSA-N 0 3 285.387 3.739 20 10 CHCDHN CCc1nc(CC[NH2+][C@@H](C)c2cc(C)ccc2[O-])cs1 ZINC000185310629 262050400 /nfs/dbraw/zinc/05/04/00/262050400.db2.gz BCKKSORAVKSMTR-LBPRGKRZSA-N 0 3 290.432 3.613 20 10 CHCDHN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185501758 262056930 /nfs/dbraw/zinc/05/69/30/262056930.db2.gz TVWSZVLNEBLQAA-NEPJUHHUSA-N 0 3 288.391 3.587 20 10 CHCDHN COc1cc(C)ccc1CN[C@H](C)c1cc(C)ccc1O ZINC000185714587 262067718 /nfs/dbraw/zinc/06/77/18/262067718.db2.gz NXXFSRPMFLADTR-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccccc1[O-] ZINC000186127399 262081347 /nfs/dbraw/zinc/08/13/47/262081347.db2.gz QOZSRGOEINITQY-SUMWQHHRSA-N 0 3 285.387 3.686 20 10 CHCDHN COc1cc(F)cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000186216876 262084748 /nfs/dbraw/zinc/08/47/48/262084748.db2.gz YSURJYHGYNXSLA-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1cccc(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000370560412 267327907 /nfs/dbraw/zinc/32/79/07/267327907.db2.gz YODKBIVPKCSAAH-RRQGHBQHSA-N 0 3 297.398 3.683 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374472287 267793682 /nfs/dbraw/zinc/79/36/82/267793682.db2.gz PMFHVGRNOMDROK-QFBILLFUSA-N 0 3 297.398 3.568 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1[O-] ZINC000117395180 327831362 /nfs/dbraw/zinc/83/13/62/327831362.db2.gz VUURVNJGQIIBHQ-KGLIPLIRSA-N 0 3 295.448 3.555 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000185750510 327844234 /nfs/dbraw/zinc/84/42/34/327844234.db2.gz VKRHWBBGTMKSEJ-GFCCVEGCSA-N 0 3 290.794 3.642 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000285134383 328247361 /nfs/dbraw/zinc/24/73/61/328247361.db2.gz LOFPBIHZDGZPAZ-HUUCEWRRSA-N 0 3 289.419 3.761 20 10 CHCDHN C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000527969826 330301642 /nfs/dbraw/zinc/30/16/42/330301642.db2.gz RUWQXENOIGXSBL-ACJLOTCBSA-N 0 3 282.387 3.979 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1CC=CCC1)CC2 ZINC000527978091 330302216 /nfs/dbraw/zinc/30/22/16/330302216.db2.gz JEMBZTNHWWVMFH-HIFRSBDPSA-N 0 3 257.377 3.716 20 10 CHCDHN CCCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000050886955 521011546 /nfs/dbraw/zinc/01/15/46/521011546.db2.gz SXIOGTAZOKLCKU-VXGBXAGGSA-N 0 3 251.370 3.630 20 10 CHCDHN CCCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000050886954 521152489 /nfs/dbraw/zinc/15/24/89/521152489.db2.gz SXIOGTAZOKLCKU-RYUDHWBXSA-N 0 3 251.370 3.630 20 10 CHCDHN CCOC1(C)CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000292749718 521636251 /nfs/dbraw/zinc/63/62/51/521636251.db2.gz IHTYDIZBLMGJQU-UHFFFAOYSA-N 0 3 297.826 3.745 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000274776064 522599660 /nfs/dbraw/zinc/59/96/60/522599660.db2.gz OAEUXLLVLWDWOB-DZKIICNBSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(C)cc1[O-] ZINC000280241342 522727074 /nfs/dbraw/zinc/72/70/74/522727074.db2.gz VZZWYIJTPPGMRU-WTTBNOFXSA-N 0 3 289.419 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000280282069 522730901 /nfs/dbraw/zinc/73/09/01/522730901.db2.gz YOJYHPGKPFGZJH-CJNGLKHVSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(C)cc1[O-] ZINC000280119783 522742127 /nfs/dbraw/zinc/74/21/27/522742127.db2.gz OGQHVEPLVUHBEE-HIFRSBDPSA-N 0 3 270.376 3.898 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000280075639 522756251 /nfs/dbraw/zinc/75/62/51/522756251.db2.gz LJMHBNUNYGGRNA-ZFWWWQNUSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(C)cc1[O-] ZINC000280074062 522817549 /nfs/dbraw/zinc/81/75/49/522817549.db2.gz LGMYEXHWUBWNCY-OAHLLOKOSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@@H]([NH2+]CCCCOC(C)C)c1ccc(C)cc1[O-] ZINC000280263967 522826676 /nfs/dbraw/zinc/82/66/76/522826676.db2.gz XKKNMLDTROUDJQ-MRXNPFEDSA-N 0 3 279.424 3.947 20 10 CHCDHN Cc1cccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1[O-] ZINC000192039496 524433285 /nfs/dbraw/zinc/43/32/85/524433285.db2.gz DNZRRGJLEFYJEE-HKUYNNGSSA-N 0 3 297.398 3.568 20 10 CHCDHN C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297568309 524525922 /nfs/dbraw/zinc/52/59/22/524525922.db2.gz GLCZFRJFGSRMHU-SUMWQHHRSA-N 0 3 297.398 3.696 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@@H](c2ccccc2)C(C)C)c1 ZINC000036967211 524752731 /nfs/dbraw/zinc/75/27/31/524752731.db2.gz CEENPOVZVGOFHF-GOSISDBHSA-N 0 3 285.387 3.888 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000037718996 525362241 /nfs/dbraw/zinc/36/22/41/525362241.db2.gz KFCBEAGDRDQBMG-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000248390933 525400216 /nfs/dbraw/zinc/40/02/16/525400216.db2.gz UKWFVBPAEDYNPA-QRTARXTBSA-N 0 3 267.372 3.847 20 10 CHCDHN C[C@@H](NCCF)c1ccc(N2CCCCCC2)cc1 ZINC000280918207 525447138 /nfs/dbraw/zinc/44/71/38/525447138.db2.gz DPQOTOKJMMIXCR-CQSZACIVSA-N 0 3 264.388 3.687 20 10 CHCDHN C[C@H](NCc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000037246811 525456562 /nfs/dbraw/zinc/45/65/62/525456562.db2.gz MDHFSBJSHVWGHB-ZDUSSCGKSA-N 0 3 272.367 3.743 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1[O-] ZINC000282753123 525481284 /nfs/dbraw/zinc/48/12/84/525481284.db2.gz NUZSSLRJUNBSIV-VXGBXAGGSA-N 0 3 269.335 3.868 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000037775502 525614763 /nfs/dbraw/zinc/61/47/63/525614763.db2.gz RPFBFHMWJZKYGP-NWDGAFQWSA-N 0 3 286.331 3.712 20 10 CHCDHN Cc1ccsc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094875244 525863091 /nfs/dbraw/zinc/86/30/91/525863091.db2.gz KDXIJHZRZQIPGX-SNVBAGLBSA-N 0 3 265.353 3.752 20 10 CHCDHN COc1cccc(CNCc2ccc(Cl)cc2C)c1O ZINC000289404713 526023482 /nfs/dbraw/zinc/02/34/82/526023482.db2.gz GYPZLEKMNIBGGB-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN COc1cccc(C[NH2+]Cc2ccc(Cl)cc2C)c1[O-] ZINC000289404713 526023488 /nfs/dbraw/zinc/02/34/88/526023488.db2.gz GYPZLEKMNIBGGB-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN COc1cccc(C[NH2+]Cc2ccc3c(c2)CCCC3)c1[O-] ZINC000292725340 526026057 /nfs/dbraw/zinc/02/60/57/526026057.db2.gz FRLWQQODXBSMQY-UHFFFAOYSA-N 0 3 297.398 3.569 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000291778404 526374719 /nfs/dbraw/zinc/37/47/19/526374719.db2.gz UNIGBTDZMCGIPC-GFCCVEGCSA-N 0 3 269.335 3.697 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000291778406 526374787 /nfs/dbraw/zinc/37/47/87/526374787.db2.gz UNIGBTDZMCGIPC-LBPRGKRZSA-N 0 3 269.335 3.697 20 10 CHCDHN COc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000228137560 1125462391 /nfs/dbraw/zinc/46/23/91/1125462391.db2.gz WYOFZMLOLXOPHQ-XJKSGUPXSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000228137560 1125462392 /nfs/dbraw/zinc/46/23/92/1125462392.db2.gz WYOFZMLOLXOPHQ-XJKSGUPXSA-N 0 3 275.392 3.555 20 10 CHCDHN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccccc2[O-])s1 ZINC000179572855 1119751191 /nfs/dbraw/zinc/75/11/91/1119751191.db2.gz QMRXSHSSPQDORT-NSHDSACASA-N 0 3 276.405 3.659 20 10 CHCDHN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccccc2[O-])s1 ZINC000179572855 1119751193 /nfs/dbraw/zinc/75/11/93/1119751193.db2.gz QMRXSHSSPQDORT-NSHDSACASA-N 0 3 276.405 3.659 20 10 CHCDHN CC[C@H](CSC)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794818551 1123959583 /nfs/dbraw/zinc/95/95/83/1123959583.db2.gz UIQRLXUGQICYDF-OCCSQVGLSA-N 0 3 267.438 3.883 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)c1[O-] ZINC000834877052 1131716042 /nfs/dbraw/zinc/71/60/42/1131716042.db2.gz SGEQJLZFJAMUST-GHMZBOCLSA-N 0 3 285.815 3.554 20 10 CHCDHN C[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1[O-] ZINC000840807269 1132288591 /nfs/dbraw/zinc/28/85/91/1132288591.db2.gz RTOYECIKGXLYQI-UNXYVOJBSA-N 0 3 269.335 3.867 20 10 CHCDHN CCc1oc2ccccc2c1C[NH2+]Cc1ccccc1[O-] ZINC000134236618 1125545834 /nfs/dbraw/zinc/54/58/34/1125545834.db2.gz QNYAKMKZEPJSEE-UHFFFAOYSA-N 0 3 281.355 3.991 20 10 CHCDHN C[C@@H](NCc1ccccc1O)c1nc2ccccc2s1 ZINC000134674440 1125566177 /nfs/dbraw/zinc/56/61/77/1125566177.db2.gz YYEIYKCTGGLSDI-LLVKDONJSA-N 0 3 284.384 3.853 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841756181 1125593835 /nfs/dbraw/zinc/59/38/35/1125593835.db2.gz UTTZCKQSJWDYEQ-FPMFFAJLSA-N 0 3 296.842 3.569 20 10 CHCDHN COc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC000093663766 1125674045 /nfs/dbraw/zinc/67/40/45/1125674045.db2.gz AZWZRPMTXMXVAG-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN COc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC000093663766 1125674047 /nfs/dbraw/zinc/67/40/47/1125674047.db2.gz AZWZRPMTXMXVAG-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN COc1cccc(C[NH+]2CCCCCCCC2)c1[O-] ZINC000322021597 1125764331 /nfs/dbraw/zinc/76/43/31/1125764331.db2.gz CRWFAAOTCVGEIC-UHFFFAOYSA-N 0 3 263.381 3.557 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ncccc1C ZINC000093177558 1125766041 /nfs/dbraw/zinc/76/60/41/1125766041.db2.gz ICXQVPMPRFAQSC-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ncccc1C ZINC000093177558 1125766047 /nfs/dbraw/zinc/76/60/47/1125766047.db2.gz ICXQVPMPRFAQSC-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)C(C)C)c1[O-] ZINC000697944765 1126733793 /nfs/dbraw/zinc/73/37/93/1126733793.db2.gz HWHGNGUYZRRSKV-UHFFFAOYSA-N 0 3 271.788 3.578 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)c1nccs1)c1ccccc1[O-] ZINC000158098877 1126745741 /nfs/dbraw/zinc/74/57/41/1126745741.db2.gz XRCIKVZWVASLAY-AAEUAGOBSA-N 0 3 276.405 3.693 20 10 CHCDHN CSc1ccc(CN(C)Cc2ccccc2O)s1 ZINC000811457197 1130610229 /nfs/dbraw/zinc/61/02/29/1130610229.db2.gz KHLKIRDKCZKISV-UHFFFAOYSA-N 0 3 279.430 3.808 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccccc1[O-] ZINC000183345213 1126885865 /nfs/dbraw/zinc/88/58/65/1126885865.db2.gz XTLADCMNRDSMEZ-KRWDZBQOSA-N 0 3 298.386 3.592 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)nc2)c([O-])c1 ZINC000185751308 1126902107 /nfs/dbraw/zinc/90/21/07/1126902107.db2.gz FRAFFKLQPLUXSS-LBPRGKRZSA-N 0 3 290.794 3.642 20 10 CHCDHN CCCOc1ccc(C[NH2+]Cc2ccccc2[O-])c(C)c1 ZINC000188793100 1126926085 /nfs/dbraw/zinc/92/60/85/1126926085.db2.gz LVZVABZMTUGBKM-UHFFFAOYSA-N 0 3 285.387 3.779 20 10 CHCDHN CCOC1CC(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000189249544 1126929669 /nfs/dbraw/zinc/92/96/69/1126929669.db2.gz DQSKPQBKULOMFL-NFOMZHRRSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268977253 1127030616 /nfs/dbraw/zinc/03/06/16/1127030616.db2.gz BHVFMBYLWQAFMS-MOPGFXCFSA-N 0 3 298.430 3.527 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000271198796 1127071998 /nfs/dbraw/zinc/07/19/98/1127071998.db2.gz AZLQSNPHHLLBCD-KBXCAEBGSA-N 0 3 297.398 3.716 20 10 CHCDHN CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271429307 1127080756 /nfs/dbraw/zinc/08/07/56/1127080756.db2.gz AWFGVTZZPMBLSK-IAGOWNOFSA-N 0 3 298.434 3.594 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000271674974 1127097289 /nfs/dbraw/zinc/09/72/89/1127097289.db2.gz OHBJIZNZDVNQMA-CYBMUJFWSA-N 0 3 271.360 3.642 20 10 CHCDHN CCOc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c([O-])c1 ZINC001237046217 1131039912 /nfs/dbraw/zinc/03/99/12/1131039912.db2.gz ZSMBPUUPUGTCNI-BETUJISGSA-N 0 3 263.381 3.554 20 10 CHCDHN CCOc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c([O-])c1 ZINC001237046217 1131039920 /nfs/dbraw/zinc/03/99/20/1131039920.db2.gz ZSMBPUUPUGTCNI-BETUJISGSA-N 0 3 263.381 3.554 20 10 CHCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)CC1CCC1 ZINC001237122309 1131056028 /nfs/dbraw/zinc/05/60/28/1131056028.db2.gz IBWPWXXFBGTWAZ-UHFFFAOYSA-N 0 3 289.297 3.523 20 10 CHCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)CC1CCC1 ZINC001237122309 1131056033 /nfs/dbraw/zinc/05/60/33/1131056033.db2.gz IBWPWXXFBGTWAZ-UHFFFAOYSA-N 0 3 289.297 3.523 20 10 CHCDHN CC[C@@H]([NH2+]CCCc1c(C)noc1C)c1ccccc1[O-] ZINC000156293773 1127137350 /nfs/dbraw/zinc/13/73/50/1127137350.db2.gz OJCGFCKXGGTRIE-MRXNPFEDSA-N 0 3 288.391 3.671 20 10 CHCDHN CC1(C)CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237138870 1131058887 /nfs/dbraw/zinc/05/88/87/1131058887.db2.gz HXVMKHDEEUUZOL-UHFFFAOYSA-N 0 3 273.298 3.643 20 10 CHCDHN CC1(C)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237138870 1131058891 /nfs/dbraw/zinc/05/88/91/1131058891.db2.gz HXVMKHDEEUUZOL-UHFFFAOYSA-N 0 3 273.298 3.643 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](CC)CC(F)(F)F)c([O-])c1 ZINC000760660835 1127154905 /nfs/dbraw/zinc/15/49/05/1127154905.db2.gz PVQDPIVGSGTJAZ-LLVKDONJSA-N 0 3 291.313 3.612 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000285293289 1127221988 /nfs/dbraw/zinc/22/19/88/1127221988.db2.gz RTRAVUKIILJEEH-OWCLPIDISA-N 0 3 291.435 3.865 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817412061 1131160034 /nfs/dbraw/zinc/16/00/34/1131160034.db2.gz BZBBHTANOTVSFX-SNVBAGLBSA-N 0 3 291.288 3.696 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817412061 1131160037 /nfs/dbraw/zinc/16/00/37/1131160037.db2.gz BZBBHTANOTVSFX-SNVBAGLBSA-N 0 3 291.288 3.696 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2CCCCCCC2)c1[O-] ZINC001238063558 1131166918 /nfs/dbraw/zinc/16/69/18/1131166918.db2.gz YPCXCEQDDLKKDE-UHFFFAOYSA-N 0 3 251.345 3.606 20 10 CHCDHN Cc1cc(C)cc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000058474522 1127348966 /nfs/dbraw/zinc/34/89/66/1127348966.db2.gz VQJNJPLKLCPMDP-UHFFFAOYSA-N 0 3 286.394 3.798 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1F ZINC000226616386 1127412386 /nfs/dbraw/zinc/41/23/86/1127412386.db2.gz GJTYKBIUYBGPKO-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1cc(CN(C)[C@@H](C)c2cccnc2)ccc1N(C)C ZINC000293749622 1127517112 /nfs/dbraw/zinc/51/71/12/1127517112.db2.gz IOTFSXMOYJIPLC-HNNXBMFYSA-N 0 3 283.419 3.649 20 10 CHCDHN CCCc1nc(C)c(CN[C@H](C)c2cc(C)ccc2O)o1 ZINC000293785275 1127520059 /nfs/dbraw/zinc/52/00/59/1127520059.db2.gz UDGBDXXCUGGDDF-GFCCVEGCSA-N 0 3 288.391 3.800 20 10 CHCDHN CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228630099 1127576389 /nfs/dbraw/zinc/57/63/89/1127576389.db2.gz XNMFLNZZYHFXNK-NSHDSACASA-N 0 3 283.799 3.676 20 10 CHCDHN CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228630099 1127576393 /nfs/dbraw/zinc/57/63/93/1127576393.db2.gz XNMFLNZZYHFXNK-NSHDSACASA-N 0 3 283.799 3.676 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000060942172 1127624867 /nfs/dbraw/zinc/62/48/67/1127624867.db2.gz KGOIPEISPQLQAD-UHFFFAOYSA-N 0 3 281.277 3.701 20 10 CHCDHN CC[C@@H](NCc1cc(F)cnc1Cl)c1ccccc1O ZINC000295176973 1127625485 /nfs/dbraw/zinc/62/54/85/1127625485.db2.gz VCZLXVXVRGOEHL-CYBMUJFWSA-N 0 3 294.757 3.821 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccncc1 ZINC000296241930 1127666441 /nfs/dbraw/zinc/66/64/41/1127666441.db2.gz ATYCAGRNHNKLMQ-GJZGRUSLSA-N 0 3 268.360 3.515 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000296906776 1127685795 /nfs/dbraw/zinc/68/57/95/1127685795.db2.gz PELHRYLLFQQSHC-OAHLLOKOSA-N 0 3 289.419 3.566 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1[O-] ZINC000229554506 1127695909 /nfs/dbraw/zinc/69/59/09/1127695909.db2.gz IFLUVVTVPFGWLX-MCIONIFRSA-N 0 3 277.408 3.657 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c1[O-] ZINC000229554506 1127695912 /nfs/dbraw/zinc/69/59/12/1127695912.db2.gz IFLUVVTVPFGWLX-MCIONIFRSA-N 0 3 277.408 3.657 20 10 CHCDHN C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000171926032 1127734663 /nfs/dbraw/zinc/73/46/63/1127734663.db2.gz UXTAPLCSMNYPCO-NSHDSACASA-N 0 3 277.314 3.863 20 10 CHCDHN C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000171926032 1127734665 /nfs/dbraw/zinc/73/46/65/1127734665.db2.gz UXTAPLCSMNYPCO-NSHDSACASA-N 0 3 277.314 3.863 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000366942936 1127748710 /nfs/dbraw/zinc/74/87/10/1127748710.db2.gz IYEIGXFVLKTZKP-LJQANCHMSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000366942936 1127748714 /nfs/dbraw/zinc/74/87/14/1127748714.db2.gz IYEIGXFVLKTZKP-LJQANCHMSA-N 0 3 297.398 3.548 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000372096557 1127788148 /nfs/dbraw/zinc/78/81/48/1127788148.db2.gz TVVFVUIGFJCCSA-KKXDTOCCSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1nc2c(cccc2CC[NH2+][C@H](C)c2ccccc2[O-])o1 ZINC000926971926 1128206426 /nfs/dbraw/zinc/20/64/26/1128206426.db2.gz PKEPMAMLSKKQGD-GFCCVEGCSA-N 0 3 296.370 3.735 20 10 CHCDHN Cc1nc2c(cccc2CC[NH2+][C@@H](C)c2ccccc2[O-])o1 ZINC000926971928 1128206670 /nfs/dbraw/zinc/20/66/70/1128206670.db2.gz PKEPMAMLSKKQGD-LBPRGKRZSA-N 0 3 296.370 3.735 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c([O-])c1 ZINC000927069475 1128215739 /nfs/dbraw/zinc/21/57/39/1128215739.db2.gz MZIWWHFHWUWBIW-JCKWVBRZSA-N 0 3 289.419 3.556 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1[O-] ZINC000927091464 1128216262 /nfs/dbraw/zinc/21/62/62/1128216262.db2.gz PKWITHSXBDTDAN-MRXNPFEDSA-N 0 3 283.371 3.568 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(C)cc1[O-] ZINC000927089508 1128216690 /nfs/dbraw/zinc/21/66/90/1128216690.db2.gz CAGXEMUAXSNVGQ-QGZVFWFLSA-N 0 3 297.398 3.876 20 10 CHCDHN CC1(C)C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C(C)(C)O1 ZINC000927099380 1128217245 /nfs/dbraw/zinc/21/72/45/1128217245.db2.gz NDIIRQDXZMNLKY-UONOGXRCSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](C1CC1)C1CCC1)CC2 ZINC000324631660 1128389301 /nfs/dbraw/zinc/38/93/01/1128389301.db2.gz AOCOURXRMKSWAW-YOEHRIQHSA-N 0 3 257.377 3.548 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](C1CC1)C1CCC1)CC2 ZINC000324631658 1128389381 /nfs/dbraw/zinc/38/93/81/1128389381.db2.gz AOCOURXRMKSWAW-RHSMWYFYSA-N 0 3 257.377 3.548 20 10 CHCDHN C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccccc1[O-] ZINC000780793300 1128451297 /nfs/dbraw/zinc/45/12/97/1128451297.db2.gz LCBADQPOALYTCU-PWSUYJOCSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccccc1[O-] ZINC000780793300 1128451301 /nfs/dbraw/zinc/45/13/01/1128451301.db2.gz LCBADQPOALYTCU-PWSUYJOCSA-N 0 3 273.298 3.555 20 10 CHCDHN CCC[C@H](C)CC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001257467234 1128456961 /nfs/dbraw/zinc/45/69/61/1128456961.db2.gz HQHTZRYEEZRHAS-STQMWFEESA-N 0 3 265.397 3.792 20 10 CHCDHN CC[C@@H]([NH2+]CCc1sc(C)nc1C)c1ccccc1[O-] ZINC000155752722 1128613722 /nfs/dbraw/zinc/61/37/22/1128613722.db2.gz QDVUYIXFUQEULN-CQSZACIVSA-N 0 3 290.432 3.749 20 10 CHCDHN CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccccc1[O-] ZINC000155971479 1128621332 /nfs/dbraw/zinc/62/13/32/1128621332.db2.gz QEDWMQIUGNLSMH-DOTOQJQBSA-N 0 3 279.424 3.620 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1[O-] ZINC000779008556 1128676817 /nfs/dbraw/zinc/67/68/17/1128676817.db2.gz RIEOPKAHLLHLJL-LSJOCFKGSA-N 0 3 298.224 3.770 20 10 CHCDHN C[C@@H](C[N@H+](C)Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779009931 1128676905 /nfs/dbraw/zinc/67/69/05/1128676905.db2.gz QSWZWOCNPONDEY-ZDUSSCGKSA-N 0 3 273.351 3.767 20 10 CHCDHN C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779009931 1128676908 /nfs/dbraw/zinc/67/69/08/1128676908.db2.gz QSWZWOCNPONDEY-ZDUSSCGKSA-N 0 3 273.351 3.767 20 10 CHCDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779018424 1128681984 /nfs/dbraw/zinc/68/19/84/1128681984.db2.gz LORPYQJJBZEUJC-XUJVJEKNSA-N 0 3 263.356 3.684 20 10 CHCDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779018424 1128681985 /nfs/dbraw/zinc/68/19/85/1128681985.db2.gz LORPYQJJBZEUJC-XUJVJEKNSA-N 0 3 263.356 3.684 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000779015859 1128682105 /nfs/dbraw/zinc/68/21/05/1128682105.db2.gz XJAYMJYMWDASGE-CYBMUJFWSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000779015859 1128682108 /nfs/dbraw/zinc/68/21/08/1128682108.db2.gz XJAYMJYMWDASGE-CYBMUJFWSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000779052670 1128710342 /nfs/dbraw/zinc/71/03/42/1128710342.db2.gz RFCOKLBYDQYBSO-HNNXBMFYSA-N 0 3 277.364 3.834 20 10 CHCDHN C[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCCc2ccccc21 ZINC000779079424 1128722788 /nfs/dbraw/zinc/72/27/88/1128722788.db2.gz RPEFEWGQMGBNSX-SFHVURJKSA-N 0 3 285.362 3.873 20 10 CHCDHN CC[C@@](C)([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779084684 1128725753 /nfs/dbraw/zinc/72/57/53/1128725753.db2.gz JIBVXXWZUFSEEE-QGZVFWFLSA-N 0 3 273.351 3.946 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCSC(F)(F)F)c([O-])c1 ZINC000185086470 1117761510 /nfs/dbraw/zinc/76/15/10/1117761510.db2.gz GUPJACXUVCKPCW-SECBINFHSA-N 0 3 279.327 3.604 20 10 CHCDHN CSCCCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186771072 1117783127 /nfs/dbraw/zinc/78/31/27/1117783127.db2.gz MMKUSGTWGJBIHH-ZDUSSCGKSA-N 0 3 267.438 3.885 20 10 CHCDHN C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185471804 1117827014 /nfs/dbraw/zinc/82/70/14/1117827014.db2.gz MIRSFLJMVLYVLM-LRDDRELGSA-N 0 3 296.430 3.548 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccnc(Cl)c1 ZINC000765609957 1118182294 /nfs/dbraw/zinc/18/22/94/1118182294.db2.gz SAPBZGGKRDJIHO-LLVKDONJSA-N 0 3 288.778 3.521 20 10 CHCDHN CCc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000179875457 1128763789 /nfs/dbraw/zinc/76/37/89/1128763789.db2.gz JMGVTFMULUVZBC-CYBMUJFWSA-N 0 3 255.361 3.805 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])CC1(c2ccccc2)CC1 ZINC000188716923 1128764480 /nfs/dbraw/zinc/76/44/80/1128764480.db2.gz IQFUXMYJPSRBHT-UHFFFAOYSA-N 0 3 267.372 3.556 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])CC1(c2ccccc2)CC1 ZINC000188716923 1128764483 /nfs/dbraw/zinc/76/44/83/1128764483.db2.gz IQFUXMYJPSRBHT-UHFFFAOYSA-N 0 3 267.372 3.556 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1c(C)noc1C ZINC000186187614 1118291534 /nfs/dbraw/zinc/29/15/34/1118291534.db2.gz NTLVJJDHVCFSHH-OTYXRUKQSA-N 0 3 292.354 3.938 20 10 CHCDHN CC[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1[O-] ZINC000088456008 1118521117 /nfs/dbraw/zinc/52/11/17/1118521117.db2.gz UHQIDRUKKXRKHT-MRXNPFEDSA-N 0 3 259.393 3.869 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@@H]1CCCOC1 ZINC000723990989 1118797798 /nfs/dbraw/zinc/79/77/98/1118797798.db2.gz YGNUPKRMNGBRLX-BMFZPTHFSA-N 0 3 277.408 3.638 20 10 CHCDHN CN(Cc1ccccc1O)Cc1ccccc1OC(F)F ZINC000111236426 1119079341 /nfs/dbraw/zinc/07/93/41/1119079341.db2.gz OHWPHEBYRVSORA-UHFFFAOYSA-N 0 3 293.313 3.626 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176673540 1119092213 /nfs/dbraw/zinc/09/22/13/1119092213.db2.gz KKDDLCSGDOSSES-AWEZNQCLSA-N 0 3 255.361 3.975 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176673540 1119092215 /nfs/dbraw/zinc/09/22/15/1119092215.db2.gz KKDDLCSGDOSSES-AWEZNQCLSA-N 0 3 255.361 3.975 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000034398292 1119104936 /nfs/dbraw/zinc/10/49/36/1119104936.db2.gz DRFYWBXOVUIBRS-WFASDCNBSA-N 0 3 253.345 3.730 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccc(Cl)s1 ZINC000226585190 1119211321 /nfs/dbraw/zinc/21/13/21/1119211321.db2.gz ZQWYFICFGOAOKZ-UHFFFAOYSA-N 0 3 285.771 3.579 20 10 CHCDHN CCCC[C@H](CCC)[NH2+]Cc1cccc(O)c1[O-] ZINC000226759990 1119323437 /nfs/dbraw/zinc/32/34/37/1119323437.db2.gz YLNTVLASZBGPGF-ZDUSSCGKSA-N 0 3 251.370 3.546 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3C3CC3)c2c1 ZINC000728562916 1119345027 /nfs/dbraw/zinc/34/50/27/1119345027.db2.gz RIYNNONZSGSHQA-GOSISDBHSA-N 0 3 297.398 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3C3CC3)c2c1 ZINC000728562916 1119345028 /nfs/dbraw/zinc/34/50/28/1119345028.db2.gz RIYNNONZSGSHQA-GOSISDBHSA-N 0 3 297.398 3.928 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000903333097 1120084347 /nfs/dbraw/zinc/08/43/47/1120084347.db2.gz NNZODHAEGNDEND-VXGBXAGGSA-N 0 3 269.335 3.868 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccccc1[O-] ZINC000695066086 1120100876 /nfs/dbraw/zinc/10/08/76/1120100876.db2.gz MWTCILQVVPLUTA-WDEREUQCSA-N 0 3 255.308 3.621 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1ccc(Cl)s1)CC2 ZINC000311847778 1120112975 /nfs/dbraw/zinc/11/29/75/1120112975.db2.gz IOLFBJYLTHVMLK-GFCCVEGCSA-N 0 3 293.819 3.927 20 10 CHCDHN Cc1ccncc1[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921960392 1120306817 /nfs/dbraw/zinc/30/68/17/1120306817.db2.gz LNJKOJPASGDJAY-AWEZNQCLSA-N 0 3 282.387 3.566 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2cc3ccccc3o2)c1 ZINC000182436939 1120321106 /nfs/dbraw/zinc/32/11/06/1120321106.db2.gz LYMHTXUSRKCQCV-LBPRGKRZSA-N 0 3 297.354 3.998 20 10 CHCDHN COc1ccc(C)cc1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183389803 1120341984 /nfs/dbraw/zinc/34/19/84/1120341984.db2.gz XCLFTOFSUBTIMN-AWEZNQCLSA-N 0 3 285.387 3.603 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1c(C)noc1C)c1ccccc1[O-] ZINC000092327881 1120357422 /nfs/dbraw/zinc/35/74/22/1120357422.db2.gz MXXMWIQLBNGNBV-YGRLFVJLSA-N 0 3 274.364 3.799 20 10 CHCDHN C[C@H]([NH2+]C/C=C/c1ccccc1)c1cc(F)ccc1[O-] ZINC000185440339 1120376817 /nfs/dbraw/zinc/37/68/17/1120376817.db2.gz PIECKWORKGEWGM-LJLILKBBSA-N 0 3 271.335 3.895 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccccc1[O-] ZINC000922328652 1120514377 /nfs/dbraw/zinc/51/43/77/1120514377.db2.gz GRGJYJXEQIIEHO-STQMWFEESA-N 0 3 283.371 3.566 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1cc(F)ccc1OC ZINC000922620744 1120564155 /nfs/dbraw/zinc/56/41/55/1120564155.db2.gz XJTVYANGHNGUBR-OAHLLOKOSA-N 0 3 289.350 3.781 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])n1 ZINC000186573125 1120587052 /nfs/dbraw/zinc/58/70/52/1120587052.db2.gz OFDFHEKWTYTUJZ-AAEUAGOBSA-N 0 3 290.432 3.920 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccsc1 ZINC000766030573 1120673799 /nfs/dbraw/zinc/67/37/99/1120673799.db2.gz UHFPCKVYQOHWRG-ZDUSSCGKSA-N 0 3 274.433 3.973 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000184768749 1120906383 /nfs/dbraw/zinc/90/63/83/1120906383.db2.gz JJLKMYKVFHXHKA-UHFFFAOYSA-N 0 3 253.345 3.559 20 10 CHCDHN COc1ccccc1CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000184861509 1120906600 /nfs/dbraw/zinc/90/66/00/1120906600.db2.gz CJFUPOMGRMEOOS-AWEZNQCLSA-N 0 3 285.387 3.603 20 10 CHCDHN COc1ccc(C[NH2+]C2CCCCCCC2)c([O-])c1 ZINC000040905708 1120956940 /nfs/dbraw/zinc/95/69/40/1120956940.db2.gz ODGZTTDMBAHYOP-UHFFFAOYSA-N 0 3 263.381 3.603 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(C)cc1[O-] ZINC000282516654 1121063245 /nfs/dbraw/zinc/06/32/45/1121063245.db2.gz UEANOCGTRONQQL-CVEARBPZSA-N 0 3 299.418 3.552 20 10 CHCDHN CCc1cnccc1[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000773427430 1121098290 /nfs/dbraw/zinc/09/82/90/1121098290.db2.gz LWBNPTWBCOBMAV-AWEZNQCLSA-N 0 3 284.403 3.812 20 10 CHCDHN CCSC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000700815787 1121122229 /nfs/dbraw/zinc/12/22/29/1121122229.db2.gz FLBPMLJRCRPDPF-LBPRGKRZSA-N 0 3 265.422 3.637 20 10 CHCDHN CC1CCC([N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000226561934 1121157458 /nfs/dbraw/zinc/15/74/58/1121157458.db2.gz VCNQFWWOCRLICN-UHFFFAOYSA-N 0 3 251.345 3.542 20 10 CHCDHN CC1CCC([N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000226561934 1121157460 /nfs/dbraw/zinc/15/74/60/1121157460.db2.gz VCNQFWWOCRLICN-UHFFFAOYSA-N 0 3 251.345 3.542 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H](C)C2)c1[O-] ZINC000703203774 1121239333 /nfs/dbraw/zinc/23/93/33/1121239333.db2.gz FMVVPGYAJDYUOK-LLVKDONJSA-N 0 3 283.799 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H](C)C2)c1[O-] ZINC000703203774 1121239336 /nfs/dbraw/zinc/23/93/36/1121239336.db2.gz FMVVPGYAJDYUOK-LLVKDONJSA-N 0 3 283.799 3.676 20 10 CHCDHN Cc1cc(F)ccc1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094950973 1121247168 /nfs/dbraw/zinc/24/71/68/1121247168.db2.gz FHFJWLFDQUMUOT-GFCCVEGCSA-N 0 3 291.341 3.872 20 10 CHCDHN C[C@@H]([NH2+]CCSCc1ccccc1)c1ccccc1[O-] ZINC001175419723 1121316939 /nfs/dbraw/zinc/31/69/39/1121316939.db2.gz XQFBLBSYKMLMBT-CQSZACIVSA-N 0 3 287.428 3.976 20 10 CHCDHN C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000797071503 1121482025 /nfs/dbraw/zinc/48/20/25/1121482025.db2.gz RZUKUASOGRGGHP-MRVPVSSYSA-N 0 3 277.261 3.524 20 10 CHCDHN Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1F ZINC000067121235 1121497394 /nfs/dbraw/zinc/49/73/94/1121497394.db2.gz IVJVAGDQJQMVLS-UHFFFAOYSA-N 0 3 290.357 3.629 20 10 CHCDHN CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1[O-] ZINC001204226488 1121811995 /nfs/dbraw/zinc/81/19/95/1121811995.db2.gz BGHHUHBQMMOPFN-UHFFFAOYSA-N 0 3 277.314 3.693 20 10 CHCDHN CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1[O-] ZINC001204226488 1121812000 /nfs/dbraw/zinc/81/20/00/1121812000.db2.gz BGHHUHBQMMOPFN-UHFFFAOYSA-N 0 3 277.314 3.693 20 10 CHCDHN CC(C)OC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000730564127 1121815719 /nfs/dbraw/zinc/81/57/19/1121815719.db2.gz IYBIHBKSXNTMOD-UHFFFAOYSA-N 0 3 299.414 3.935 20 10 CHCDHN CCC[N@H+](Cc1ccc2c(c1)CCO2)Cc1ccccc1[O-] ZINC000731850272 1121887230 /nfs/dbraw/zinc/88/72/30/1121887230.db2.gz RURSGSURPYJJTO-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CCC[N@@H+](Cc1ccc2c(c1)CCO2)Cc1ccccc1[O-] ZINC000731850272 1121887237 /nfs/dbraw/zinc/88/72/37/1121887237.db2.gz RURSGSURPYJJTO-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001204278286 1122009559 /nfs/dbraw/zinc/00/95/59/1122009559.db2.gz CXHIYAIFXZVJAJ-CQSZACIVSA-N 0 3 275.392 3.500 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001204278286 1122009564 /nfs/dbraw/zinc/00/95/64/1122009564.db2.gz CXHIYAIFXZVJAJ-CQSZACIVSA-N 0 3 275.392 3.500 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001182109746 1122110583 /nfs/dbraw/zinc/11/05/83/1122110583.db2.gz SJCZNCWEEJVKOH-CQSZACIVSA-N 0 3 285.362 3.741 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCc2occc21 ZINC000774193629 1122138163 /nfs/dbraw/zinc/13/81/63/1122138163.db2.gz UQUWCKTZRZPIOW-QGZVFWFLSA-N 0 3 284.403 3.821 20 10 CHCDHN COc1cc(C)c(C[NH2+][C@@H]2CCc3ccc(C)cc32)c([O-])c1 ZINC001182683725 1122182401 /nfs/dbraw/zinc/18/24/01/1122182401.db2.gz FSHRCKZNSGQAGB-GOSISDBHSA-N 0 3 297.398 3.795 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1ccccc1O ZINC000272843629 1122213918 /nfs/dbraw/zinc/21/39/18/1122213918.db2.gz JYLAUQQHVUISEG-XJKSGUPXSA-N 0 3 283.371 3.793 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272843629 1122213923 /nfs/dbraw/zinc/21/39/23/1122213923.db2.gz JYLAUQQHVUISEG-XJKSGUPXSA-N 0 3 283.371 3.793 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccccc2F)c(O)c1C ZINC000273362763 1122230013 /nfs/dbraw/zinc/23/00/13/1122230013.db2.gz DIRYUOPKIGHFIZ-CYBMUJFWSA-N 0 3 273.351 3.999 20 10 CHCDHN CC1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCC1 ZINC000774819882 1122317181 /nfs/dbraw/zinc/31/71/81/1122317181.db2.gz APXHJSVRUCMRMU-MRXNPFEDSA-N 0 3 289.419 3.563 20 10 CHCDHN CC1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CCC1 ZINC000774819882 1122317188 /nfs/dbraw/zinc/31/71/88/1122317188.db2.gz APXHJSVRUCMRMU-MRXNPFEDSA-N 0 3 289.419 3.563 20 10 CHCDHN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000192993881 1129049836 /nfs/dbraw/zinc/04/98/36/1129049836.db2.gz IUGNQTHQKAFGJH-UHFFFAOYSA-N 0 3 271.360 3.538 20 10 CHCDHN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)C1CC1 ZINC000192993881 1129049838 /nfs/dbraw/zinc/04/98/38/1129049838.db2.gz IUGNQTHQKAFGJH-UHFFFAOYSA-N 0 3 271.360 3.538 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])COCc1ccccc1 ZINC000183459129 1129055683 /nfs/dbraw/zinc/05/56/83/1129055683.db2.gz VVXXUDUNAKKOMP-CVEARBPZSA-N 0 3 299.414 3.896 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000775487487 1122618329 /nfs/dbraw/zinc/61/83/29/1122618329.db2.gz CHYMYUQCQRVMGS-PBHICJAKSA-N 0 3 297.398 3.684 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1ccccc1[O-] ZINC000775512922 1122634479 /nfs/dbraw/zinc/63/44/79/1122634479.db2.gz SMQFKGPFSHXQFH-XJKSGUPXSA-N 0 3 270.376 3.632 20 10 CHCDHN CC[C@@H](NCc1nn(C)c2ccccc12)c1ccccc1O ZINC000775555051 1122661171 /nfs/dbraw/zinc/66/11/71/1122661171.db2.gz IAHOUMUXEFDBSP-OAHLLOKOSA-N 0 3 295.386 3.520 20 10 CHCDHN CC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1[O-] ZINC000775555051 1122661174 /nfs/dbraw/zinc/66/11/74/1122661174.db2.gz IAHOUMUXEFDBSP-OAHLLOKOSA-N 0 3 295.386 3.520 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC=C(C)CC2)c1[O-] ZINC000775702557 1122913158 /nfs/dbraw/zinc/91/31/58/1122913158.db2.gz SPEVFFXCSZMBHK-UHFFFAOYSA-N 0 3 251.757 3.506 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC=C(C)CC2)c1[O-] ZINC000775702557 1122913161 /nfs/dbraw/zinc/91/31/61/1122913161.db2.gz SPEVFFXCSZMBHK-UHFFFAOYSA-N 0 3 251.757 3.506 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2[C@H](C)CC[C@H]2C)c1[O-] ZINC000775737468 1122929163 /nfs/dbraw/zinc/92/91/63/1122929163.db2.gz HVRAGKHXKSBLLE-GHMZBOCLSA-N 0 3 253.773 3.727 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCc2ccccc2)c1[O-] ZINC000775794057 1122972123 /nfs/dbraw/zinc/97/21/23/1122972123.db2.gz UWGBHMOAKWCGKK-UHFFFAOYSA-N 0 3 275.779 3.686 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)CCC(C)C)c1[O-] ZINC000776209336 1123148585 /nfs/dbraw/zinc/14/85/85/1123148585.db2.gz VGVFJLOQEGOGOG-INIZCTEOSA-N 0 3 299.842 3.631 20 10 CHCDHN C[C@H](NCc1cc(F)ccc1F)c1ccccc1O ZINC000107929111 1123229713 /nfs/dbraw/zinc/22/97/13/1123229713.db2.gz AMTYWVBFIRTXGL-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN CC(C)(C)c1cnc(SCCN2CCCC2)s1 ZINC000776432980 1123232040 /nfs/dbraw/zinc/23/20/40/1123232040.db2.gz ICMGZYWKFMDJTH-UHFFFAOYSA-N 0 3 270.467 3.629 20 10 CHCDHN CC[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1[O-] ZINC000895132962 1123244914 /nfs/dbraw/zinc/24/49/14/1123244914.db2.gz DNNCIALSNLDAEZ-KRWDZBQOSA-N 0 3 299.418 3.630 20 10 CHCDHN CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000850492289 1123273990 /nfs/dbraw/zinc/27/39/90/1123273990.db2.gz CRFGHLNVFOZGOG-ZFWWWQNUSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+]CCC(C)(C)F)c1ccc(C)cc1[O-] ZINC000850531610 1123284821 /nfs/dbraw/zinc/28/48/21/1123284821.db2.gz LCGIUZZKINNIFR-ZDUSSCGKSA-N 0 3 253.361 3.880 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)c2c1c(F)ccc2[O-] ZINC000850532284 1123285798 /nfs/dbraw/zinc/28/57/98/1123285798.db2.gz SRMHLLXRFWTJMA-GXSJLCMTSA-N 0 3 269.335 3.807 20 10 CHCDHN CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(C)cc1[O-] ZINC000850535730 1123287022 /nfs/dbraw/zinc/28/70/22/1123287022.db2.gz AFBAEYWOHQXQPY-OCCSQVGLSA-N 0 3 269.335 3.787 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccccc1[O-] ZINC000850536003 1123287406 /nfs/dbraw/zinc/28/74/06/1123287406.db2.gz GNKSCTXIHZZZAC-TZMCWYRMSA-N 0 3 269.335 3.868 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(F)ccc1[O-] ZINC000850543407 1123289341 /nfs/dbraw/zinc/28/93/41/1123289341.db2.gz JDBCWIMBXZHERL-HWPZZCPQSA-N 0 3 287.334 3.575 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCc2ccco2)c([O-])c1 ZINC000850570504 1123294538 /nfs/dbraw/zinc/29/45/38/1123294538.db2.gz UNLNECXZOQVNOU-ZDUSSCGKSA-N 0 3 259.349 3.577 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000850573459 1123295375 /nfs/dbraw/zinc/29/53/75/1123295375.db2.gz MIRKEEXRLBQZNW-DOXZYTNZSA-N 0 3 299.414 3.516 20 10 CHCDHN CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000850583237 1123296431 /nfs/dbraw/zinc/29/64/31/1123296431.db2.gz JYCYHPSEWWHRHB-LJHODMEESA-N 0 3 299.414 3.863 20 10 CHCDHN COc1ccccc1CNCc1c(C)c2ccccc2n1C ZINC000389120318 1123462361 /nfs/dbraw/zinc/46/23/61/1123462361.db2.gz OLSUBOKIHUBBNO-UHFFFAOYSA-N 0 3 294.398 3.785 20 10 CHCDHN CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783526222 1123493073 /nfs/dbraw/zinc/49/30/73/1123493073.db2.gz UQKDSLNOPYZTCO-OLZOCXBDSA-N 0 3 270.376 3.761 20 10 CHCDHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccns1 ZINC000858318080 1123644013 /nfs/dbraw/zinc/64/40/13/1123644013.db2.gz LIOXKFGOLPHPBS-DSYXLKISSA-N 0 3 287.432 3.573 20 10 CHCDHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccns1 ZINC000858318159 1123644503 /nfs/dbraw/zinc/64/45/03/1123644503.db2.gz LIOXKFGOLPHPBS-MUBLQREKSA-N 0 3 287.432 3.573 20 10 CHCDHN CN1CCCc2cc(CN[C@H]3CCCc4occc43)ccc21 ZINC000195287300 1129144062 /nfs/dbraw/zinc/14/40/62/1129144062.db2.gz MVKHZEJYWLEZRQ-KRWDZBQOSA-N 0 3 296.414 3.829 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1[O-] ZINC000192785087 1123816221 /nfs/dbraw/zinc/81/62/21/1123816221.db2.gz FXYLHWFVTGJULA-QWHCGFSZSA-N 0 3 299.370 3.575 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000862528779 1123816522 /nfs/dbraw/zinc/81/65/22/1123816522.db2.gz ISEFJLUHOCXEQE-OKZBNKHCSA-N 0 3 279.383 3.628 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000862528779 1123816531 /nfs/dbraw/zinc/81/65/31/1123816531.db2.gz ISEFJLUHOCXEQE-OKZBNKHCSA-N 0 3 279.383 3.628 20 10 CHCDHN COc1ccc2ccc([O-])c(C[NH+](C3CC3)C3CC3)c2c1 ZINC000863303845 1123859075 /nfs/dbraw/zinc/85/90/75/1123859075.db2.gz DHIZAZVGLJAUSY-UHFFFAOYSA-N 0 3 283.371 3.681 20 10 CHCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC000193023698 1123869151 /nfs/dbraw/zinc/86/91/51/1123869151.db2.gz BAWKSUMSVTWOOY-HNNXBMFYSA-N 0 3 296.414 3.843 20 10 CHCDHN CC[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(C)cc1[O-] ZINC000794793368 1123950482 /nfs/dbraw/zinc/95/04/82/1123950482.db2.gz NXCMGORVFSVFGF-QGZVFWFLSA-N 0 3 290.451 3.617 20 10 CHCDHN CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccc(C)cc1[O-] ZINC000794799985 1123950960 /nfs/dbraw/zinc/95/09/60/1123950960.db2.gz AYIWFJKMWRQMAH-FUHWJXTLSA-N 0 3 293.451 3.929 20 10 CHCDHN CC[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(C)cc1[O-] ZINC000794805615 1123955683 /nfs/dbraw/zinc/95/56/83/1123955683.db2.gz XWQCTQLLEMEOLB-HNNXBMFYSA-N 0 3 279.424 3.540 20 10 CHCDHN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794809922 1123956426 /nfs/dbraw/zinc/95/64/26/1123956426.db2.gz RXHXCVUTDUTWRC-JLJPHGGASA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794809923 1123956525 /nfs/dbraw/zinc/95/65/25/1123956525.db2.gz RXHXCVUTDUTWRC-KMFMINBZSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794814332 1123957324 /nfs/dbraw/zinc/95/73/24/1123957324.db2.gz CYMNHXYNXDRQSJ-HLPPOEQASA-N 0 3 277.408 3.697 20 10 CHCDHN CCOC[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])C(C)C ZINC000794812480 1123959028 /nfs/dbraw/zinc/95/90/28/1123959028.db2.gz DQKSPTYWGONIBA-HOTGVXAUSA-N 0 3 279.424 3.802 20 10 CHCDHN CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794818340 1123959805 /nfs/dbraw/zinc/95/98/05/1123959805.db2.gz RVUKBZYAEOYGAK-ZFWWWQNUSA-N 0 3 279.424 3.538 20 10 CHCDHN C[C@@H]([NH2+]CCCc1ccccc1F)c1cc(F)ccc1[O-] ZINC000794840677 1123989909 /nfs/dbraw/zinc/98/99/09/1123989909.db2.gz JYPZTHBJORSLTG-GFCCVEGCSA-N 0 3 291.341 3.954 20 10 CHCDHN CCOc1ccc(C[NH2+]CC(C)(C)C(C)(F)F)c([O-])c1 ZINC000865789781 1124015578 /nfs/dbraw/zinc/01/55/78/1124015578.db2.gz SBKHCTYAZQYFKG-UHFFFAOYSA-N 0 3 287.350 3.562 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCSC2)c([O-])c1 ZINC000866404900 1124063991 /nfs/dbraw/zinc/06/39/91/1124063991.db2.gz XHAFYJREEBLEAF-KGLIPLIRSA-N 0 3 279.449 3.803 20 10 CHCDHN CCN(Cc1occc1C)Cc1cc(C)ccc1O ZINC000840969775 1124067475 /nfs/dbraw/zinc/06/74/75/1124067475.db2.gz KFIFDFBJNJSSCI-UHFFFAOYSA-N 0 3 259.349 3.624 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000866512724 1124076621 /nfs/dbraw/zinc/07/66/21/1124076621.db2.gz OFPWGMPISYGPNY-HFTRVMKXSA-N 0 3 289.419 3.638 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2c3ccccc3CN2C)c([O-])c1 ZINC000866562143 1124082198 /nfs/dbraw/zinc/08/21/98/1124082198.db2.gz CRGMOEDQSCWWTF-KSSFIOAISA-N 0 3 296.414 3.538 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC000866609368 1124087888 /nfs/dbraw/zinc/08/78/88/1124087888.db2.gz MGQNYFMNROISAI-CYZMBNFOSA-N 0 3 285.309 3.940 20 10 CHCDHN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866623093 1124090877 /nfs/dbraw/zinc/09/08/77/1124090877.db2.gz RYIGPSCHCZOKDR-CJNGLKHVSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@@H](N[C@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000866632723 1124092335 /nfs/dbraw/zinc/09/23/35/1124092335.db2.gz ORMZXCJXQVTDIN-SJORKVTESA-N 0 3 298.434 3.525 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(C)cc1[O-] ZINC000872105728 1124683929 /nfs/dbraw/zinc/68/39/29/1124683929.db2.gz BDIDVTHRKCDQOE-DNUAJFIVSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@H](O)c1ccccc1 ZINC000872134422 1124692901 /nfs/dbraw/zinc/69/29/01/1124692901.db2.gz WCJZVVWXUDRNIQ-RPVQJOFSSA-N 0 3 285.387 3.555 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1[O-] ZINC000019908213 1124768930 /nfs/dbraw/zinc/76/89/30/1124768930.db2.gz TWASBJJFDUNVRD-LLVKDONJSA-N 0 3 261.752 3.896 20 10 CHCDHN C[C@@H](NCc1ccccc1Cl)c1ccccc1O ZINC000019908213 1124768936 /nfs/dbraw/zinc/76/89/36/1124768936.db2.gz TWASBJJFDUNVRD-LLVKDONJSA-N 0 3 261.752 3.896 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])c(C)c1 ZINC000876943056 1124991545 /nfs/dbraw/zinc/99/15/45/1124991545.db2.gz AFDMRKLJEMBHQT-UHFFFAOYSA-N 0 3 255.361 3.607 20 10 CHCDHN Cc1ccc(CNC2(c3nccs3)CCCC2)c(O)c1 ZINC000877042065 1125001971 /nfs/dbraw/zinc/00/19/71/1125001971.db2.gz LYQPPBRFGJPRAG-UHFFFAOYSA-N 0 3 288.416 3.716 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H](c2cccnc2)C(C)C)c([O-])c1 ZINC000877081998 1125006997 /nfs/dbraw/zinc/00/69/97/1125006997.db2.gz KHGIWHFACVPTOI-KRWDZBQOSA-N 0 3 284.403 3.625 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2cccc(F)c2F)c(O)c1 ZINC000877117444 1125011438 /nfs/dbraw/zinc/01/14/38/1125011438.db2.gz AFERABIPHGEIMZ-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000877377139 1125024341 /nfs/dbraw/zinc/02/43/41/1125024341.db2.gz VZUREGKNLBRDQL-MJGOQNOKSA-N 0 3 297.398 3.711 20 10 CHCDHN CCO[C@H](C[NH2+]Cc1c(C)cccc1[O-])c1ccccc1 ZINC000877481563 1125033610 /nfs/dbraw/zinc/03/36/10/1125033610.db2.gz KZILGSSFMNPHPY-GOSISDBHSA-N 0 3 285.387 3.568 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000877659696 1125059299 /nfs/dbraw/zinc/05/92/99/1125059299.db2.gz ZWOJDZXSHRIQGP-UHFFFAOYSA-N 0 3 287.325 3.913 20 10 CHCDHN CC(C)O[C@@H](C[N@@H+]1Cc2cccc([O-])c2C1)c1ccccc1 ZINC000877703204 1125066210 /nfs/dbraw/zinc/06/62/10/1125066210.db2.gz WDJCZMFFBDAWIR-IBGZPJMESA-N 0 3 297.398 3.874 20 10 CHCDHN CC(C)O[C@@H](C[N@H+]1Cc2cccc([O-])c2C1)c1ccccc1 ZINC000877703204 1125066216 /nfs/dbraw/zinc/06/62/16/1125066216.db2.gz WDJCZMFFBDAWIR-IBGZPJMESA-N 0 3 297.398 3.874 20 10 CHCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1Cl ZINC000877755938 1125072609 /nfs/dbraw/zinc/07/26/09/1125072609.db2.gz TYWQLALIFNDTBF-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000877756575 1125074791 /nfs/dbraw/zinc/07/47/91/1125074791.db2.gz UKWFVBPAEDYNPA-UNEWFSDZSA-N 0 3 267.372 3.847 20 10 CHCDHN CC(C)c1ncc(C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000877756583 1125075004 /nfs/dbraw/zinc/07/50/04/1125075004.db2.gz VQLWZLUFNHZION-LLVKDONJSA-N 0 3 276.405 3.823 20 10 CHCDHN C[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccccc1O ZINC000877756603 1125075014 /nfs/dbraw/zinc/07/50/14/1125075014.db2.gz XJIHRHBKAQPLPK-LALPHHSUSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccccc1[O-] ZINC000877756603 1125075019 /nfs/dbraw/zinc/07/50/19/1125075019.db2.gz XJIHRHBKAQPLPK-LALPHHSUSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccccc1[O-] ZINC000878354161 1125143404 /nfs/dbraw/zinc/14/34/04/1125143404.db2.gz DAGZETWPKPKODT-RYUDHWBXSA-N 0 3 269.335 3.868 20 10 CHCDHN COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000127579564 1125203052 /nfs/dbraw/zinc/20/30/52/1125203052.db2.gz LVSXDCKMRQSJHT-RHSMWYFYSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000127579564 1125203055 /nfs/dbraw/zinc/20/30/55/1125203055.db2.gz LVSXDCKMRQSJHT-RHSMWYFYSA-N 0 3 297.398 3.779 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccnc1C(F)(F)F)c1ccccc1[O-] ZINC000879649737 1125222938 /nfs/dbraw/zinc/22/29/38/1125222938.db2.gz FNICGEMOVWUYSQ-SNVBAGLBSA-N 0 3 296.292 3.657 20 10 CHCDHN CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228675627 1125251163 /nfs/dbraw/zinc/25/11/63/1125251163.db2.gz NWHNUNQXKPACRS-MNOVXSKESA-N 0 3 285.815 3.969 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1C ZINC000897417337 1125320609 /nfs/dbraw/zinc/32/06/09/1125320609.db2.gz KQCNDAAJTYBORA-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN CCC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1[O-] ZINC000213582865 1125363142 /nfs/dbraw/zinc/36/31/42/1125363142.db2.gz BQLZWGSWSCWTML-OAHLLOKOSA-N 0 3 277.408 3.946 20 10 CHCDHN CCC[C@@H]1CCCC[N@H+]1Cc1cccc(OCC)c1[O-] ZINC000213582865 1125363146 /nfs/dbraw/zinc/36/31/46/1125363146.db2.gz BQLZWGSWSCWTML-OAHLLOKOSA-N 0 3 277.408 3.946 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)CC2 ZINC000883274703 1125390354 /nfs/dbraw/zinc/39/03/54/1125390354.db2.gz RYQUPEPIWQVJBW-OLZOCXBDSA-N 0 3 281.346 3.795 20 10 CHCDHN Cc1ccc(CN[C@H]2CCc3cccc(O)c32)c(Cl)n1 ZINC000883301489 1125391834 /nfs/dbraw/zinc/39/18/34/1125391834.db2.gz BCRBFGOSYYHDCE-ZDUSSCGKSA-N 0 3 288.778 3.526 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)C2CCCC2)c1[O-] ZINC000132162627 1125414866 /nfs/dbraw/zinc/41/48/66/1125414866.db2.gz ASGSFNKAMNXIQE-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)C2CCCC2)c1[O-] ZINC000132162627 1125414869 /nfs/dbraw/zinc/41/48/69/1125414869.db2.gz ASGSFNKAMNXIQE-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN COC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000779987540 1129179904 /nfs/dbraw/zinc/17/99/04/1129179904.db2.gz WIVOYMQZJKKRKS-UHFFFAOYSA-N 0 3 297.398 3.718 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3ccccc31)CC2 ZINC000295923188 1129220155 /nfs/dbraw/zinc/22/01/55/1129220155.db2.gz JUNGQAGDAFDSEA-HZPDHXFCSA-N 0 3 265.356 3.657 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296237678 1129220785 /nfs/dbraw/zinc/22/07/85/1129220785.db2.gz APXKFXPAMUNGCB-MLGOLLRUSA-N 0 3 283.371 3.739 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1COC)c1ccccc1[O-] ZINC000037762631 1129266392 /nfs/dbraw/zinc/26/63/92/1129266392.db2.gz ACCJYCABULBEAM-KRWDZBQOSA-N 0 3 285.387 3.780 20 10 CHCDHN Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037776897 1129268617 /nfs/dbraw/zinc/26/86/17/1129268617.db2.gz SOQUKHBTNJJRKI-CABCVRRESA-N 0 3 269.388 3.982 20 10 CHCDHN CSC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000736361296 1129373018 /nfs/dbraw/zinc/37/30/18/1129373018.db2.gz SGNFCZMMHYWUTF-CYBMUJFWSA-N 0 3 287.428 3.900 20 10 CHCDHN C[C@@H]([NH2+]CCSc1ccccc1)c1cc(F)ccc1[O-] ZINC000094617726 1129448111 /nfs/dbraw/zinc/44/81/11/1129448111.db2.gz KTHIXBSIEUTIKP-GFCCVEGCSA-N 0 3 291.391 3.974 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cc(F)ccc1[O-] ZINC000094616935 1129448316 /nfs/dbraw/zinc/44/83/16/1129448316.db2.gz LAPWQKLJMSSDPI-NWDGAFQWSA-N 0 3 277.339 3.796 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000094617596 1129448414 /nfs/dbraw/zinc/44/84/14/1129448414.db2.gz CZAAHWQWQZEBMV-YPMHNXCESA-N 0 3 271.335 3.522 20 10 CHCDHN Cc1cc(O)c(CN[C@@H]2CSc3ccccc32)cc1C ZINC000742371809 1129475131 /nfs/dbraw/zinc/47/51/31/1129475131.db2.gz FABOYFVIKUHSIB-OAHLLOKOSA-N 0 3 285.412 3.946 20 10 CHCDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000742372238 1129475523 /nfs/dbraw/zinc/47/55/23/1129475523.db2.gz KBWNIXUHYOOFEZ-INIZCTEOSA-N 0 3 287.382 3.528 20 10 CHCDHN COc1cc(C)c(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC001206612461 1129523230 /nfs/dbraw/zinc/52/32/30/1129523230.db2.gz JZJGYGUCXPLCHQ-CHWSQXEVSA-N 0 3 291.435 3.871 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccncc1 ZINC000743870147 1129542266 /nfs/dbraw/zinc/54/22/66/1129542266.db2.gz IUHSQPSOZKLXJY-CQSZACIVSA-N 0 3 270.376 3.760 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccncc1 ZINC000743870147 1129542269 /nfs/dbraw/zinc/54/22/69/1129542269.db2.gz IUHSQPSOZKLXJY-CQSZACIVSA-N 0 3 270.376 3.760 20 10 CHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CC12CC2 ZINC000822498244 1131384771 /nfs/dbraw/zinc/38/47/71/1131384771.db2.gz WVASVEJMAZKOTQ-GOSISDBHSA-N 0 3 295.382 3.613 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000766330131 1129602890 /nfs/dbraw/zinc/60/28/90/1129602890.db2.gz GXLLEPALNBYOGR-XKQJLSEDSA-N 0 3 291.435 3.943 20 10 CHCDHN Cc1oc2ccccc2c1CC[NH2+]Cc1ccccc1[O-] ZINC000766479235 1129670832 /nfs/dbraw/zinc/67/08/32/1129670832.db2.gz NFAGYNMFPVUXET-UHFFFAOYSA-N 0 3 281.355 3.779 20 10 CHCDHN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796525766 1129773081 /nfs/dbraw/zinc/77/30/81/1129773081.db2.gz FVDPHERHQKOKLB-DYVFJYSZSA-N 0 3 267.372 3.947 20 10 CHCDHN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](C)C2 ZINC000272471239 1129838044 /nfs/dbraw/zinc/83/80/44/1129838044.db2.gz RWFJPOMGQJZNDE-ACJLOTCBSA-N 0 3 267.372 3.724 20 10 CHCDHN CCOc1cccc(C[N@H+](CCC(C)C)C2CC2)c1[O-] ZINC000768257127 1129847782 /nfs/dbraw/zinc/84/77/82/1129847782.db2.gz GZOJLATYEXWMRN-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](CCC(C)C)C2CC2)c1[O-] ZINC000768257127 1129847786 /nfs/dbraw/zinc/84/77/86/1129847786.db2.gz GZOJLATYEXWMRN-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](Cc1cccs1)C(C)C ZINC000768334081 1129850658 /nfs/dbraw/zinc/85/06/58/1129850658.db2.gz LFQNZHYXFDVOFE-UHFFFAOYSA-N 0 3 291.416 3.873 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](Cc1cccs1)C(C)C ZINC000768334081 1129850660 /nfs/dbraw/zinc/85/06/60/1129850660.db2.gz LFQNZHYXFDVOFE-UHFFFAOYSA-N 0 3 291.416 3.873 20 10 CHCDHN CCC(CC)C[N@H+](CC)Cc1c([O-])cccc1OC ZINC000768507948 1129859538 /nfs/dbraw/zinc/85/95/38/1129859538.db2.gz XVVQESGCLQBQJV-UHFFFAOYSA-N 0 3 265.397 3.659 20 10 CHCDHN CCC(CC)C[N@@H+](CC)Cc1c([O-])cccc1OC ZINC000768507948 1129859542 /nfs/dbraw/zinc/85/95/42/1129859542.db2.gz XVVQESGCLQBQJV-UHFFFAOYSA-N 0 3 265.397 3.659 20 10 CHCDHN COc1cccc(C[NH+]2CC(C)(C)CC(C)(C)C2)c1[O-] ZINC000768531965 1129860898 /nfs/dbraw/zinc/86/08/98/1129860898.db2.gz IWFOKJNDULSXCJ-UHFFFAOYSA-N 0 3 277.408 3.659 20 10 CHCDHN Cc1cc(CN[C@@H](C)c2cn[nH]c2)ccc1N1CCCCC1 ZINC000828858059 1131403070 /nfs/dbraw/zinc/40/30/70/1131403070.db2.gz NAGCINMYODVGLY-HNNXBMFYSA-N 0 3 298.434 3.559 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]1c1ccccc1 ZINC000768873537 1129878716 /nfs/dbraw/zinc/87/87/16/1129878716.db2.gz PJSJDGDNUOMNRF-IRXDYDNUSA-N 0 3 267.372 3.628 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@H]1c1ccccc1 ZINC000768873537 1129878720 /nfs/dbraw/zinc/87/87/20/1129878720.db2.gz PJSJDGDNUOMNRF-IRXDYDNUSA-N 0 3 267.372 3.628 20 10 CHCDHN C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1cc(F)ccc1[O-] ZINC000800500619 1129881291 /nfs/dbraw/zinc/88/12/91/1129881291.db2.gz FXTCPFPRKCIAIM-GFCCVEGCSA-N 0 3 298.361 3.906 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)c([O-])c1 ZINC000769337888 1129903631 /nfs/dbraw/zinc/90/36/31/1129903631.db2.gz ILMZOJIFPOTMLE-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCc3c(C)cccc3C2)c([O-])c1 ZINC000769337888 1129903633 /nfs/dbraw/zinc/90/36/33/1129903633.db2.gz ILMZOJIFPOTMLE-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000769445515 1129910627 /nfs/dbraw/zinc/91/06/27/1129910627.db2.gz JZAOPGGSILOFLB-GOEBONIOSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000769445515 1129910629 /nfs/dbraw/zinc/91/06/29/1129910629.db2.gz JZAOPGGSILOFLB-GOEBONIOSA-N 0 3 297.398 3.779 20 10 CHCDHN CCc1ccccc1CC[N@H+](C)Cc1ccccc1[O-] ZINC000769745856 1129924529 /nfs/dbraw/zinc/92/45/29/1129924529.db2.gz GBHJWDQDGCYHJK-UHFFFAOYSA-N 0 3 269.388 3.629 20 10 CHCDHN CCc1ccccc1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000769745856 1129924531 /nfs/dbraw/zinc/92/45/31/1129924531.db2.gz GBHJWDQDGCYHJK-UHFFFAOYSA-N 0 3 269.388 3.629 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000770510035 1129948296 /nfs/dbraw/zinc/94/82/96/1129948296.db2.gz HRJKHMCWBHZBRN-UHFFFAOYSA-N 0 3 285.362 3.911 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000770510916 1129948688 /nfs/dbraw/zinc/94/86/88/1129948688.db2.gz VMEKAZCYLOAJGU-AWEZNQCLSA-N 0 3 271.335 3.521 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000770510916 1129948691 /nfs/dbraw/zinc/94/86/91/1129948691.db2.gz VMEKAZCYLOAJGU-AWEZNQCLSA-N 0 3 271.335 3.521 20 10 CHCDHN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1[O-] ZINC000770510855 1129949019 /nfs/dbraw/zinc/94/90/19/1129949019.db2.gz SIXBAWJQQHFQHH-CJNGLKHVSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccccc1[O-] ZINC000770510855 1129949021 /nfs/dbraw/zinc/94/90/21/1129949021.db2.gz SIXBAWJQQHFQHH-CJNGLKHVSA-N 0 3 285.362 3.909 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000770511080 1129949225 /nfs/dbraw/zinc/94/92/25/1129949225.db2.gz YYDXTIKEQRNUNY-UHFFFAOYSA-N 0 3 285.362 3.944 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000770511080 1129949226 /nfs/dbraw/zinc/94/92/26/1129949226.db2.gz YYDXTIKEQRNUNY-UHFFFAOYSA-N 0 3 285.362 3.944 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2sccc2Cl)c1 ZINC000801937541 1129961586 /nfs/dbraw/zinc/96/15/86/1129961586.db2.gz PLMIQQFRRACTRF-SECBINFHSA-N 0 3 297.807 3.967 20 10 CHCDHN CNc1ccc(C)cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000902489670 1130017303 /nfs/dbraw/zinc/01/73/03/1130017303.db2.gz KGMAUODAISXJKS-OAHLLOKOSA-N 0 3 297.446 3.954 20 10 CHCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000772454552 1130022286 /nfs/dbraw/zinc/02/22/86/1130022286.db2.gz IECSZGNXQLBBMD-OAHLLOKOSA-N 0 3 283.419 3.615 20 10 CHCDHN CC1C[NH+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000802651723 1130026870 /nfs/dbraw/zinc/02/68/70/1130026870.db2.gz ZAVYHCXQRXEJAT-UHFFFAOYSA-N 0 3 253.345 3.511 20 10 CHCDHN CCCC[N@H+](Cc1cccc(O)c1)Cc1ccccc1[O-] ZINC000802657975 1130028001 /nfs/dbraw/zinc/02/80/01/1130028001.db2.gz XQJQZWIXZFMRLG-UHFFFAOYSA-N 0 3 285.387 3.900 20 10 CHCDHN CCCC[N@@H+](Cc1cccc(O)c1)Cc1ccccc1[O-] ZINC000802657975 1130028008 /nfs/dbraw/zinc/02/80/08/1130028008.db2.gz XQJQZWIXZFMRLG-UHFFFAOYSA-N 0 3 285.387 3.900 20 10 CHCDHN CNc1ccc(C)cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000902642831 1130032960 /nfs/dbraw/zinc/03/29/60/1130032960.db2.gz JBIHQBKXYUDGRF-ZDUSSCGKSA-N 0 3 270.376 3.593 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2nccc3c2CCCC3)c1 ZINC000903182397 1130124806 /nfs/dbraw/zinc/12/48/06/1130124806.db2.gz QAOFZRSKFHZSFA-CQSZACIVSA-N 0 3 296.414 3.825 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)c1ccccc1[O-] ZINC000903247357 1130136417 /nfs/dbraw/zinc/13/64/17/1130136417.db2.gz UZGCHJRLFYZVDR-KGLIPLIRSA-N 0 3 277.408 3.638 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCOC12CCCCC2)c1ccccc1[O-] ZINC000903274198 1130142686 /nfs/dbraw/zinc/14/26/86/1130142686.db2.gz JPDFFQUFANDSPR-XJKSGUPXSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000903285193 1130147010 /nfs/dbraw/zinc/14/70/10/1130147010.db2.gz WPAGKTCEYAUSGS-ZYHUDNBSSA-N 0 3 283.412 3.856 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cncs1 ZINC000903310524 1130150598 /nfs/dbraw/zinc/15/05/98/1130150598.db2.gz KKQCHXIUBLRRBS-WCABBAIRSA-N 0 3 292.379 3.887 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)CC2 ZINC000903427468 1130176111 /nfs/dbraw/zinc/17/61/11/1130176111.db2.gz GMCJOCAICSEJEC-CRAIPNDOSA-N 0 3 280.371 3.515 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](c2ccncc2)C2CC2)c([O-])c1 ZINC000903430339 1130176921 /nfs/dbraw/zinc/17/69/21/1130176921.db2.gz YVRZPRCEBZMVLC-ACJLOTCBSA-N 0 3 282.387 3.898 20 10 CHCDHN CCC(O)(CC)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000788264502 1130180236 /nfs/dbraw/zinc/18/02/36/1130180236.db2.gz XYVMVAGNGABYNH-WCQYABFASA-N 0 3 295.398 3.610 20 10 CHCDHN CCC1(O)CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000788646465 1130197835 /nfs/dbraw/zinc/19/78/35/1130197835.db2.gz CRWVJFSBRVNHTH-SYJJWHGVSA-N 0 3 291.435 3.743 20 10 CHCDHN COc1c2ccccc2oc1CNCc1cc(C)ccc1O ZINC000788970481 1130221485 /nfs/dbraw/zinc/22/14/85/1130221485.db2.gz UDSMYZOUCYFPFS-UHFFFAOYSA-N 0 3 297.354 3.745 20 10 CHCDHN C[C@H]1CC[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000789327837 1130244033 /nfs/dbraw/zinc/24/40/33/1130244033.db2.gz XAQJEBUMEVYVEH-WMLDXEAASA-N 0 3 289.419 3.704 20 10 CHCDHN C[C@H]1CC[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000789327837 1130244037 /nfs/dbraw/zinc/24/40/37/1130244037.db2.gz XAQJEBUMEVYVEH-WMLDXEAASA-N 0 3 289.419 3.704 20 10 CHCDHN CCc1ccc([C@@H](O)C[NH2+][C@H](CC)c2ccccc2[O-])cc1 ZINC000789363046 1130246830 /nfs/dbraw/zinc/24/68/30/1130246830.db2.gz RJXLQQOVVBVARS-MJGOQNOKSA-N 0 3 299.414 3.729 20 10 CHCDHN CCN(Cc1[nH]c(C)cc1C)Cc1ccc(N(C)C)cc1 ZINC001137332019 1130399588 /nfs/dbraw/zinc/39/95/88/1130399588.db2.gz CTTSHEQGNKMLIF-UHFFFAOYSA-N 0 3 285.435 3.720 20 10 CHCDHN Oc1cccc2c1CN(Cc1c[nH]c3ccc(F)cc13)CC2 ZINC001137341250 1130430703 /nfs/dbraw/zinc/43/07/03/1130430703.db2.gz FBVJGKDFVZEKJL-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1c[nH]c3ccc(F)cc13)CC2 ZINC001137341250 1130430709 /nfs/dbraw/zinc/43/07/09/1130430709.db2.gz FBVJGKDFVZEKJL-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1c[nH]c3ccc(F)cc13)CC2 ZINC001137341250 1130430713 /nfs/dbraw/zinc/43/07/13/1130430713.db2.gz FBVJGKDFVZEKJL-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793351995 1130549806 /nfs/dbraw/zinc/54/98/06/1130549806.db2.gz LMHUPOMPUJOJNL-WMLDXEAASA-N 0 3 285.362 3.957 20 10 CHCDHN COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2C)c([O-])c1 ZINC000793386009 1130551868 /nfs/dbraw/zinc/55/18/68/1130551868.db2.gz GESOAICPYBAJTO-UHFFFAOYSA-N 0 3 285.387 3.616 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)CCc2ccc(C)cc2)c([O-])c1 ZINC000793388088 1130552510 /nfs/dbraw/zinc/55/25/10/1130552510.db2.gz LQBILPNJINEMOU-OAHLLOKOSA-N 0 3 299.414 3.820 20 10 CHCDHN CC(C)[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCOC1 ZINC000812291304 1130681583 /nfs/dbraw/zinc/68/15/83/1130681583.db2.gz MOYBBXMMUTXBAD-OAHLLOKOSA-N 0 3 285.387 3.545 20 10 CHCDHN CC(C)[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCOC1 ZINC000812291304 1130681586 /nfs/dbraw/zinc/68/15/86/1130681586.db2.gz MOYBBXMMUTXBAD-OAHLLOKOSA-N 0 3 285.387 3.545 20 10 CHCDHN CCc1cccnc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000780724440 1130689109 /nfs/dbraw/zinc/68/91/09/1130689109.db2.gz KVVWVVRXJZFOGI-OAHLLOKOSA-N 0 3 297.446 3.869 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CCCO1 ZINC001234993238 1130699642 /nfs/dbraw/zinc/69/96/42/1130699642.db2.gz XKTWVQJBDSHRLM-HNNXBMFYSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CCCO1 ZINC001234993238 1130699647 /nfs/dbraw/zinc/69/96/47/1130699647.db2.gz XKTWVQJBDSHRLM-HNNXBMFYSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CCCO1 ZINC001234993240 1130699876 /nfs/dbraw/zinc/69/98/76/1130699876.db2.gz XKTWVQJBDSHRLM-OAHLLOKOSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CCCO1 ZINC001234993240 1130699878 /nfs/dbraw/zinc/69/98/78/1130699878.db2.gz XKTWVQJBDSHRLM-OAHLLOKOSA-N 0 3 297.398 3.670 20 10 CHCDHN CC1(C)C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CCO1 ZINC001234993181 1130701345 /nfs/dbraw/zinc/70/13/45/1130701345.db2.gz VMOTWGQNDVRQCW-UHFFFAOYSA-N 0 3 297.398 3.670 20 10 CHCDHN CC1(C)C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CCO1 ZINC001234993181 1130701351 /nfs/dbraw/zinc/70/13/51/1130701351.db2.gz VMOTWGQNDVRQCW-UHFFFAOYSA-N 0 3 297.398 3.670 20 10 CHCDHN CC[C@@H]1COCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996722 1130701471 /nfs/dbraw/zinc/70/14/71/1130701471.db2.gz NARDFSKNWUNQKN-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN CC[C@@H]1COCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996722 1130701478 /nfs/dbraw/zinc/70/14/78/1130701478.db2.gz NARDFSKNWUNQKN-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN Cc1cc(CC[NH2+]Cc2ccccc2[O-])ccc1Cl ZINC000812772956 1130713307 /nfs/dbraw/zinc/71/33/07/1130713307.db2.gz NTCPQBOSJISNEW-UHFFFAOYSA-N 0 3 275.779 3.686 20 10 CHCDHN C[C@H]1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000781927305 1130748297 /nfs/dbraw/zinc/74/82/97/1130748297.db2.gz DJJVUXIMGUEQBO-LRDDRELGSA-N 0 3 263.356 3.543 20 10 CHCDHN C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000781927305 1130748300 /nfs/dbraw/zinc/74/83/00/1130748300.db2.gz DJJVUXIMGUEQBO-LRDDRELGSA-N 0 3 263.356 3.543 20 10 CHCDHN Cc1cc(Cl)cc(CN2CCc3cccc(O)c3C2)c1 ZINC001235536116 1130754198 /nfs/dbraw/zinc/75/41/98/1130754198.db2.gz ACWWYUOZROGTFN-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CC(C)[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CCO1 ZINC001235677075 1130766106 /nfs/dbraw/zinc/76/61/06/1130766106.db2.gz ANYDCACSDKUDMA-KRWDZBQOSA-N 0 3 291.435 3.547 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c([O-])c1 ZINC001235679598 1130767771 /nfs/dbraw/zinc/76/77/71/1130767771.db2.gz PZKZJSVUPVPGSW-QEJZJMRPSA-N 0 3 277.383 3.622 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c([O-])c1 ZINC001235679598 1130767776 /nfs/dbraw/zinc/76/77/76/1130767776.db2.gz PZKZJSVUPVPGSW-QEJZJMRPSA-N 0 3 277.383 3.622 20 10 CHCDHN C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000783236282 1130804984 /nfs/dbraw/zinc/80/49/84/1130804984.db2.gz FYLKHCFIFNGZFE-PKOBYXMFSA-N 0 3 281.399 3.992 20 10 CHCDHN C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000783236279 1130805341 /nfs/dbraw/zinc/80/53/41/1130805341.db2.gz FYLKHCFIFNGZFE-HKUYNNGSSA-N 0 3 281.399 3.992 20 10 CHCDHN CCN(CCC[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000783496190 1130830082 /nfs/dbraw/zinc/83/00/82/1130830082.db2.gz YOIQTKUOCOPHCJ-INIZCTEOSA-N 0 3 298.430 3.959 20 10 CHCDHN CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000783504784 1130830999 /nfs/dbraw/zinc/83/09/99/1130830999.db2.gz MRFHXSHLGCBRRH-CYBMUJFWSA-N 0 3 298.386 3.592 20 10 CHCDHN Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])o1 ZINC000783516053 1130832363 /nfs/dbraw/zinc/83/23/63/1130832363.db2.gz DHMWUFMIEKZNIB-GXTWGEPZSA-N 0 3 273.376 3.966 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1ccccc1[O-] ZINC000783513750 1130832462 /nfs/dbraw/zinc/83/24/62/1130832462.db2.gz MNPIGHDDIWBXAY-RISCZKNCSA-N 0 3 271.385 3.890 20 10 CHCDHN CC(C)[C@H]1[N@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000814171905 1130838988 /nfs/dbraw/zinc/83/89/88/1130838988.db2.gz YSTAGRMHAZLSCC-OAHLLOKOSA-N 0 3 263.356 3.542 20 10 CHCDHN CC(C)[C@H]1[N@@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000814171905 1130838992 /nfs/dbraw/zinc/83/89/92/1130838992.db2.gz YSTAGRMHAZLSCC-OAHLLOKOSA-N 0 3 263.356 3.542 20 10 CHCDHN COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccccc1[O-] ZINC000814292091 1130859433 /nfs/dbraw/zinc/85/94/33/1130859433.db2.gz MXAVSBJRPMVKSH-PTNGSMBKSA-N 0 3 297.398 3.732 20 10 CHCDHN CCN(C)c1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000815076416 1130956431 /nfs/dbraw/zinc/95/64/31/1130956431.db2.gz FEVGJDWMHPEXQL-LJQANCHMSA-N 0 3 295.430 3.875 20 10 CHCDHN C[C@@H](F)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000815148757 1130966822 /nfs/dbraw/zinc/96/68/22/1130966822.db2.gz JDVFHGQXDOEBKA-CYBMUJFWSA-N 0 3 273.351 3.897 20 10 CHCDHN C[N@H+](Cc1cccc2occc21)Cc1ccccc1[O-] ZINC001236737052 1131002895 /nfs/dbraw/zinc/00/28/95/1131002895.db2.gz BMKQDKQSMHUDQZ-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[N@@H+](Cc1cccc2occc21)Cc1ccccc1[O-] ZINC001236737052 1131002900 /nfs/dbraw/zinc/00/29/00/1131002900.db2.gz BMKQDKQSMHUDQZ-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN CCc1ccc(CN2CCc3sccc3C2)c(O)c1 ZINC001236788197 1131006559 /nfs/dbraw/zinc/00/65/59/1131006559.db2.gz ZFBARXWTGFVMDC-UHFFFAOYSA-N 0 3 273.401 3.574 20 10 CHCDHN Cc1cc(F)ccc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000815573231 1131008572 /nfs/dbraw/zinc/00/85/72/1131008572.db2.gz CEXJTUBKFHHOCH-ZDUSSCGKSA-N 0 3 285.362 3.920 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001236811648 1131012489 /nfs/dbraw/zinc/01/24/89/1131012489.db2.gz UQHPHSDXTQZLPG-YOEHRIQHSA-N 0 3 289.419 3.864 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001236811648 1131012491 /nfs/dbraw/zinc/01/24/91/1131012491.db2.gz UQHPHSDXTQZLPG-YOEHRIQHSA-N 0 3 289.419 3.864 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC001236821563 1131014148 /nfs/dbraw/zinc/01/41/48/1131014148.db2.gz QXKVKEWFHPADEU-UHFFFAOYSA-N 0 3 299.414 3.958 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC001236821563 1131014151 /nfs/dbraw/zinc/01/41/51/1131014151.db2.gz QXKVKEWFHPADEU-UHFFFAOYSA-N 0 3 299.414 3.958 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC001236817072 1131014742 /nfs/dbraw/zinc/01/47/42/1131014742.db2.gz CLZRXALIDRTKMO-CQSZACIVSA-N 0 3 297.398 3.829 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC001236817072 1131014747 /nfs/dbraw/zinc/01/47/47/1131014747.db2.gz CLZRXALIDRTKMO-CQSZACIVSA-N 0 3 297.398 3.829 20 10 CHCDHN CC[C@@H]([NH2+]CCC1(OC)CCC1)c1ccc(C)cc1[O-] ZINC000815641903 1131015117 /nfs/dbraw/zinc/01/51/17/1131015117.db2.gz LLVUVAABNRDZGL-OAHLLOKOSA-N 0 3 277.408 3.701 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001236827118 1131015838 /nfs/dbraw/zinc/01/58/38/1131015838.db2.gz PLIRYYQXEYIKSC-HOTGVXAUSA-N 0 3 267.372 3.777 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001236838131 1131017825 /nfs/dbraw/zinc/01/78/25/1131017825.db2.gz VJHNYIAOLWPGKX-ZBFHGGJFSA-N 0 3 253.345 3.530 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001236838131 1131017830 /nfs/dbraw/zinc/01/78/30/1131017830.db2.gz VJHNYIAOLWPGKX-ZBFHGGJFSA-N 0 3 253.345 3.530 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])C2(CC2)C1 ZINC001236836261 1131018168 /nfs/dbraw/zinc/01/81/68/1131018168.db2.gz GJUCNENHIXDIIN-ZDUSSCGKSA-N 0 3 267.372 3.920 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])C2(CC2)C1 ZINC001236836261 1131018171 /nfs/dbraw/zinc/01/81/71/1131018171.db2.gz GJUCNENHIXDIIN-ZDUSSCGKSA-N 0 3 267.372 3.920 20 10 CHCDHN CC(C)c1ccc(CN(C)Cc2ccncc2)c(O)c1 ZINC001237044778 1131038858 /nfs/dbraw/zinc/03/88/58/1131038858.db2.gz DJWJOKIXKWFPCG-UHFFFAOYSA-N 0 3 270.376 3.543 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](F)CC2)c([O-])c1 ZINC001237046093 1131040051 /nfs/dbraw/zinc/04/00/51/1131040051.db2.gz PIZCDALMUPZOOU-HNNXBMFYSA-N 0 3 265.372 3.840 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](F)CC2)c([O-])c1 ZINC001237046093 1131040046 /nfs/dbraw/zinc/04/00/46/1131040046.db2.gz PIZCDALMUPZOOU-HNNXBMFYSA-N 0 3 265.372 3.840 20 10 CHCDHN CC(C)c1ccc(C[N@H+](CCO)Cc2ccccc2)c([O-])c1 ZINC001237048742 1131041044 /nfs/dbraw/zinc/04/10/44/1131041044.db2.gz WKSZNIYFNYCSLR-UHFFFAOYSA-N 0 3 299.414 3.510 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](CCO)Cc2ccccc2)c([O-])c1 ZINC001237048742 1131041050 /nfs/dbraw/zinc/04/10/50/1131041050.db2.gz WKSZNIYFNYCSLR-UHFFFAOYSA-N 0 3 299.414 3.510 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CCC(C(F)F)CC2)c([O-])c1 ZINC001237048455 1131041368 /nfs/dbraw/zinc/04/13/68/1131041368.db2.gz GNPLCQYGOBSNHI-UHFFFAOYSA-N 0 3 283.362 3.993 20 10 CHCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@H](C)C1 ZINC001237051517 1131041697 /nfs/dbraw/zinc/04/16/97/1131041697.db2.gz MKYPJHDSPMRPIK-CZUORRHYSA-N 0 3 277.408 3.515 20 10 CHCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@H](C)C1 ZINC001237051517 1131041702 /nfs/dbraw/zinc/04/17/02/1131041702.db2.gz MKYPJHDSPMRPIK-CZUORRHYSA-N 0 3 277.408 3.515 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c([O-])c1 ZINC001237053970 1131042138 /nfs/dbraw/zinc/04/21/38/1131042138.db2.gz RXPHNLRTJXAZAG-QGZVFWFLSA-N 0 3 296.414 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c([O-])c1 ZINC001237053970 1131042142 /nfs/dbraw/zinc/04/21/42/1131042142.db2.gz RXPHNLRTJXAZAG-QGZVFWFLSA-N 0 3 296.414 3.900 20 10 CHCDHN CC(C)c1ccc(CN2CCOc3ccccc3C2)c(O)c1 ZINC001237053928 1131043533 /nfs/dbraw/zinc/04/35/33/1131043533.db2.gz RKFBKFBXEGWETC-UHFFFAOYSA-N 0 3 297.398 3.910 20 10 CHCDHN [O-]c1cccc(OC(F)(F)F)c1C[NH+]1CCCCCC1 ZINC001237120134 1131052765 /nfs/dbraw/zinc/05/27/65/1131052765.db2.gz MWXYKYFCLWPLHE-UHFFFAOYSA-N 0 3 289.297 3.667 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCCc2cccnc21 ZINC000798928661 1131061900 /nfs/dbraw/zinc/06/19/00/1131061900.db2.gz CHTOUXGQOSKQCR-GOSISDBHSA-N 0 3 295.430 3.623 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001237485349 1131104264 /nfs/dbraw/zinc/10/42/64/1131104264.db2.gz ORZUAYHBECEYGV-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCCC2(CCCC2)C1 ZINC001237485349 1131104266 /nfs/dbraw/zinc/10/42/66/1131104266.db2.gz ORZUAYHBECEYGV-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN CC[N@H+](Cc1ccccc1)Cc1c(C)cccc1[O-] ZINC001237483752 1131104668 /nfs/dbraw/zinc/10/46/68/1131104668.db2.gz SQFVDAPLGOYWQO-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN CC[N@@H+](Cc1ccccc1)Cc1c(C)cccc1[O-] ZINC001237483752 1131104673 /nfs/dbraw/zinc/10/46/73/1131104673.db2.gz SQFVDAPLGOYWQO-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cc(F)ccc1[O-] ZINC000799727864 1131105720 /nfs/dbraw/zinc/10/57/20/1131105720.db2.gz ARDNVVOCADGHHM-LBPRGKRZSA-N 0 3 298.361 3.906 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000816619752 1131117243 /nfs/dbraw/zinc/11/72/43/1131117243.db2.gz UCOAHAHZVVMXOG-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000816619752 1131117248 /nfs/dbraw/zinc/11/72/48/1131117248.db2.gz UCOAHAHZVVMXOG-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN CCN(Cc1ccc(N2CCCC2)cc1)Cc1ccccn1 ZINC001116443918 1131146371 /nfs/dbraw/zinc/14/63/71/1131146371.db2.gz LKPHUQPYTPWIMT-UHFFFAOYSA-N 0 3 295.430 3.704 20 10 CHCDHN CCCC[N@H+](CCC)Cc1cc(F)cc(C)c1[O-] ZINC001238060090 1131166305 /nfs/dbraw/zinc/16/63/05/1131166305.db2.gz HFBYZVFWKIGACF-UHFFFAOYSA-N 0 3 253.361 3.852 20 10 CHCDHN CCCC[N@@H+](CCC)Cc1cc(F)cc(C)c1[O-] ZINC001238060090 1131166308 /nfs/dbraw/zinc/16/63/08/1131166308.db2.gz HFBYZVFWKIGACF-UHFFFAOYSA-N 0 3 253.361 3.852 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC3(CCCC3)C2)c1[O-] ZINC001238063503 1131167228 /nfs/dbraw/zinc/16/72/28/1131167228.db2.gz XMGUCHBHSJMHQK-UHFFFAOYSA-N 0 3 263.356 3.606 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC3(CCCC3)C2)c1[O-] ZINC001238063503 1131167230 /nfs/dbraw/zinc/16/72/30/1131167230.db2.gz XMGUCHBHSJMHQK-UHFFFAOYSA-N 0 3 263.356 3.606 20 10 CHCDHN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCO1 ZINC000817586052 1131173990 /nfs/dbraw/zinc/17/39/90/1131173990.db2.gz LGSXHHNQROTILH-IACUBPJLSA-N 0 3 297.826 3.962 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccc(C)cc1[O-] ZINC000817587673 1131174483 /nfs/dbraw/zinc/17/44/83/1131174483.db2.gz ZZIZLQHSAPLURG-LZWOXQAQSA-N 0 3 277.408 3.699 20 10 CHCDHN CCN(Cc1ccncc1)Cc1ccc(N2CCCC2)cc1 ZINC001117583789 1131190013 /nfs/dbraw/zinc/19/00/13/1131190013.db2.gz XIQKRXXTAHCRDO-UHFFFAOYSA-N 0 3 295.430 3.704 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccccc1[O-] ZINC000817977404 1131195593 /nfs/dbraw/zinc/19/55/93/1131195593.db2.gz JOWCZXDLNXFJMW-QGZVFWFLSA-N 0 3 296.414 3.991 20 10 CHCDHN Cc1cc([C@@H](C)NCc2ccc3c(c2)CCO3)ccc1F ZINC000824549076 1131473154 /nfs/dbraw/zinc/47/31/54/1131473154.db2.gz XYGRZNKEIWZSQM-CYBMUJFWSA-N 0 3 285.362 3.920 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC000824548436 1131475639 /nfs/dbraw/zinc/47/56/39/1131475639.db2.gz HOUXRVLLWJNSMK-OAHLLOKOSA-N 0 3 267.372 3.602 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000824690637 1131480163 /nfs/dbraw/zinc/48/01/63/1131480163.db2.gz JUORPTDCPKGAMQ-AWEZNQCLSA-N 0 3 297.398 3.859 20 10 CHCDHN CC1(C)CCCN1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000825332289 1131507535 /nfs/dbraw/zinc/50/75/35/1131507535.db2.gz VEQKXKVGUJOYHZ-UHFFFAOYSA-N 0 3 298.430 3.509 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1ccccc1C1CC1)CC2 ZINC001139883089 1131645583 /nfs/dbraw/zinc/64/55/83/1131645583.db2.gz AUOUAGWWFRWBFZ-UHFFFAOYSA-N 0 3 279.383 3.828 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccccc1C1CC1)CC2 ZINC001139883089 1131645587 /nfs/dbraw/zinc/64/55/87/1131645587.db2.gz AUOUAGWWFRWBFZ-UHFFFAOYSA-N 0 3 279.383 3.828 20 10 CHCDHN CC(C)CC[NH+](CCC(C)C)Cc1c([O-])cc(O)cc1O ZINC001144516461 1131651113 /nfs/dbraw/zinc/65/11/13/1131651113.db2.gz YVKYLFSTBRWQPB-UHFFFAOYSA-N 0 3 295.423 3.698 20 10 CHCDHN CN(C)c1ccc(CN(C)Cc2cc3cnccc3o2)cc1 ZINC000845903869 1131669123 /nfs/dbraw/zinc/66/91/23/1131669123.db2.gz URSDIXFPZWWBGR-UHFFFAOYSA-N 0 3 295.386 3.526 20 10 CHCDHN Cc1ccc(C)c(CN(Cc2ccco2)C2CC2)c1O ZINC001140184080 1131674099 /nfs/dbraw/zinc/67/40/99/1131674099.db2.gz MAIOKAOLYYAUCV-UHFFFAOYSA-N 0 3 271.360 3.767 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(OC)ccc1F)c1ccccc1[O-] ZINC000845991234 1131675748 /nfs/dbraw/zinc/67/57/48/1131675748.db2.gz AICFWIOALZQCLD-INIZCTEOSA-N 0 3 289.350 3.781 20 10 CHCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000834537485 1131681594 /nfs/dbraw/zinc/68/15/94/1131681594.db2.gz DQLRHDPYAOAKRL-LRDDRELGSA-N 0 3 285.362 3.912 20 10 CHCDHN CCOc1ccccc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834639816 1131690044 /nfs/dbraw/zinc/69/00/44/1131690044.db2.gz COKQNSYWDKVTCU-MRXNPFEDSA-N 0 3 297.398 3.611 20 10 CHCDHN Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834641056 1131690216 /nfs/dbraw/zinc/69/02/16/1131690216.db2.gz VSUJHMFLYRQOIP-SJORKVTESA-N 0 3 279.383 3.965 20 10 CHCDHN COc1cccc([C@H](C)NCc2ccc(F)cc2F)c1O ZINC000846141672 1131694695 /nfs/dbraw/zinc/69/46/95/1131694695.db2.gz MIOKFVPZIMEAAA-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN COc1cccc([C@@H](C)NCc2cc(F)ccc2F)c1O ZINC000846148062 1131695786 /nfs/dbraw/zinc/69/57/86/1131695786.db2.gz WZCIEXHXGPYRGB-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000846200624 1131699458 /nfs/dbraw/zinc/69/94/58/1131699458.db2.gz GOWSUFYEIJDJSZ-XTWPYSKKSA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000846210219 1131703494 /nfs/dbraw/zinc/70/34/94/1131703494.db2.gz LQAOJSDYFQZANJ-URLQWDBASA-N 0 3 297.398 3.963 20 10 CHCDHN CCC[C@@H](C[NH2+][C@H](CC)c1ccc(C)cc1[O-])OC ZINC000834841497 1131710836 /nfs/dbraw/zinc/71/08/36/1131710836.db2.gz VAJDUNGWAGYZDM-DZGCQCFKSA-N 0 3 265.397 3.556 20 10 CHCDHN Cc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)ccn1 ZINC000834859569 1131712973 /nfs/dbraw/zinc/71/29/73/1131712973.db2.gz DJLUSZGUABJCJP-YGRLFVJLSA-N 0 3 286.350 3.573 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])ccn1 ZINC000834860929 1131713814 /nfs/dbraw/zinc/71/38/14/1131713814.db2.gz VOQALEVMSBBVQP-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)c1[O-] ZINC000834877064 1131716128 /nfs/dbraw/zinc/71/61/28/1131716128.db2.gz SGEQJLZFJAMUST-WDEREUQCSA-N 0 3 285.815 3.554 20 10 CHCDHN C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000834884571 1131717764 /nfs/dbraw/zinc/71/77/64/1131717764.db2.gz NQLDLTILOOTYFF-PELKAZGASA-N 0 3 292.181 3.766 20 10 CHCDHN CO[C@](C)(C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000834885076 1131718575 /nfs/dbraw/zinc/71/85/75/1131718575.db2.gz SVWLEXSMWYOCGY-RDTXWAMCSA-N 0 3 285.387 3.605 20 10 CHCDHN COc1ccc(C)cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000772950384 1131720427 /nfs/dbraw/zinc/72/04/27/1131720427.db2.gz GTLGAAAVXIZYPV-OAHLLOKOSA-N 0 3 298.430 3.920 20 10 CHCDHN CCCc1ncc(CN[C@@H](C)c2c(C)cc(C)cc2O)o1 ZINC000834898795 1131722806 /nfs/dbraw/zinc/72/28/06/1131722806.db2.gz GULPNMDZJGOJEP-ZDUSSCGKSA-N 0 3 288.391 3.800 20 10 CHCDHN COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)c1 ZINC000834906284 1131728801 /nfs/dbraw/zinc/72/88/01/1131728801.db2.gz YSIRJDFEVXMLQK-FVQBIDKESA-N 0 3 297.398 3.998 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCC(OC(F)F)CC2)c([O-])c1 ZINC000834906760 1131729177 /nfs/dbraw/zinc/72/91/77/1131729177.db2.gz ZCVORCRPZIRTAA-PNESKVBLSA-N 0 3 299.361 3.902 20 10 CHCDHN CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000834914852 1131733741 /nfs/dbraw/zinc/73/37/41/1131733741.db2.gz WWXIIDDAMAEYNY-YSVLISHTSA-N 0 3 277.408 3.699 20 10 CHCDHN CCN(C/C=C\c1ccc(N(C)C)cc1)Cc1ccncc1 ZINC000835054829 1131767035 /nfs/dbraw/zinc/76/70/35/1131767035.db2.gz ZKALTQKUCAPAFY-WAYWQWQTSA-N 0 3 295.430 3.683 20 10 CHCDHN Cc1ccncc1[C@H](C)NCc1ccc(N(C)C)c(C)c1 ZINC000772996747 1131877449 /nfs/dbraw/zinc/87/74/49/1131877449.db2.gz GZBXWZWKDMMWRB-HNNXBMFYSA-N 0 3 283.419 3.615 20 10 CHCDHN CCN(CC)c1ccc(CN2Cc3ccccc3C2)c(O)c1 ZINC001140851106 1131947023 /nfs/dbraw/zinc/94/70/23/1131947023.db2.gz BVOFIIOZDXPHAE-UHFFFAOYSA-N 0 3 296.414 3.754 20 10 CHCDHN Cc1c[nH]c(CN(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001140859595 1131949174 /nfs/dbraw/zinc/94/91/74/1131949174.db2.gz BFPOQEJKCJWJGQ-UHFFFAOYSA-N 0 3 297.446 3.864 20 10 CHCDHN Cc1cccc(C[N@@H+](C)Cc2ccc(C)cc2[O-])c1 ZINC001140948611 1131969223 /nfs/dbraw/zinc/96/92/23/1131969223.db2.gz QXLBTZBFOXNURQ-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1cccc(C[N@H+](C)Cc2ccc(C)cc2[O-])c1 ZINC001140948611 1131969228 /nfs/dbraw/zinc/96/92/28/1131969228.db2.gz QXLBTZBFOXNURQ-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140951010 1131971861 /nfs/dbraw/zinc/97/18/61/1131971861.db2.gz SXUSIZUJDZCWRZ-CQSZACIVSA-N 0 3 285.387 3.902 20 10 CHCDHN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140951010 1131971866 /nfs/dbraw/zinc/97/18/66/1131971866.db2.gz SXUSIZUJDZCWRZ-CQSZACIVSA-N 0 3 285.387 3.902 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000036982037 1131985979 /nfs/dbraw/zinc/98/59/79/1131985979.db2.gz MZXIFUIRUKYDSY-NWDGAFQWSA-N 0 3 285.343 3.533 20 10 CHCDHN Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001171659423 1132070923 /nfs/dbraw/zinc/07/09/23/1132070923.db2.gz CAOFRXXUDFDTMS-AWEZNQCLSA-N 0 3 285.387 3.517 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1Cc2cccc(F)c2C1 ZINC001171807591 1132104255 /nfs/dbraw/zinc/10/42/55/1132104255.db2.gz VIJRBWORBAVXRA-HNNXBMFYSA-N 0 3 285.362 3.521 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1Cc2cccc(F)c2C1 ZINC001171807591 1132104261 /nfs/dbraw/zinc/10/42/61/1132104261.db2.gz VIJRBWORBAVXRA-HNNXBMFYSA-N 0 3 285.362 3.521 20 10 CHCDHN CC[C@H](NCc1ccc(C)nc1Cl)c1ccccc1O ZINC000838912158 1132158172 /nfs/dbraw/zinc/15/81/72/1132158172.db2.gz DBBYNFDOMLKDKH-AWEZNQCLSA-N 0 3 290.794 3.990 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C)nc1Cl)c1ccccc1[O-] ZINC000838912158 1132158177 /nfs/dbraw/zinc/15/81/77/1132158177.db2.gz DBBYNFDOMLKDKH-AWEZNQCLSA-N 0 3 290.794 3.990 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCC(C(F)F)CC1)CC2 ZINC000840806552 1132289013 /nfs/dbraw/zinc/28/90/13/1132289013.db2.gz INXGRIRVCFFFCF-BPCQOVAHSA-N 0 3 281.346 3.793 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CS1 ZINC000840860665 1132295968 /nfs/dbraw/zinc/29/59/68/1132295968.db2.gz VIIDBWXKGOGSER-WYFGTUCQSA-N 0 3 281.396 3.563 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172726460 1132300069 /nfs/dbraw/zinc/30/00/69/1132300069.db2.gz WNVGSWFDVPSCKJ-INIZCTEOSA-N 0 3 299.801 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@H+]([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172726460 1132300071 /nfs/dbraw/zinc/30/00/71/1132300071.db2.gz WNVGSWFDVPSCKJ-INIZCTEOSA-N 0 3 299.801 3.571 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1c2ccccc2O[C@@H]1C ZINC000840947210 1132311437 /nfs/dbraw/zinc/31/14/37/1132311437.db2.gz RCOOFSDQYWFIBR-KUHUBIRLSA-N 0 3 296.414 3.673 20 10 CHCDHN C[C@H]1C[C@@H](CF)[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588875 1132317264 /nfs/dbraw/zinc/31/72/64/1132317264.db2.gz XOMBHIDIFSBGLI-JSGCOSHPSA-N 0 3 273.351 3.725 20 10 CHCDHN C[C@H]1C[C@@H](CF)[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588875 1132317270 /nfs/dbraw/zinc/31/72/70/1132317270.db2.gz XOMBHIDIFSBGLI-JSGCOSHPSA-N 0 3 273.351 3.725 20 10 CHCDHN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231589324 1132317726 /nfs/dbraw/zinc/31/77/26/1132317726.db2.gz BXCALENGCWRAMG-GOSISDBHSA-N 0 3 299.414 3.935 20 10 CHCDHN COC(C)(C)[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC001231589324 1132317733 /nfs/dbraw/zinc/31/77/33/1132317733.db2.gz BXCALENGCWRAMG-GOSISDBHSA-N 0 3 299.414 3.935 20 10 CHCDHN CC1(F)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231588854 1132317748 /nfs/dbraw/zinc/31/77/48/1132317748.db2.gz WJGROFVMYDCIIQ-UHFFFAOYSA-N 0 3 273.351 3.869 20 10 CHCDHN Cc1cc(C)c(CN(C)Cc2ccc(Cl)nc2)c(O)c1 ZINC001231849129 1132378419 /nfs/dbraw/zinc/37/84/19/1132378419.db2.gz NOFHSZFOGXFYAJ-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN COc1cc(N(C)C)ccc1CN(C)Cc1ccc(C)cc1 ZINC001231851776 1132379119 /nfs/dbraw/zinc/37/91/19/1132379119.db2.gz HVQCDNQZVZTWFL-UHFFFAOYSA-N 0 3 298.430 3.702 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C1CCC2(CCOCC2)CC1 ZINC001173052002 1132382914 /nfs/dbraw/zinc/38/29/14/1132382914.db2.gz SGLWZAMKIXDUAM-UHFFFAOYSA-N 0 3 289.419 3.563 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C1CCC2(CCOCC2)CC1 ZINC001173052002 1132382920 /nfs/dbraw/zinc/38/29/20/1132382920.db2.gz SGLWZAMKIXDUAM-UHFFFAOYSA-N 0 3 289.419 3.563 20 10 CHCDHN CC(C)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccncc1 ZINC000842836408 1132467995 /nfs/dbraw/zinc/46/79/95/1132467995.db2.gz ANLANWZQXXEMCE-GOSISDBHSA-N 0 3 296.414 3.894 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCS[C@H]2C)c2c1c(F)ccc2[O-] ZINC000842929962 1132477417 /nfs/dbraw/zinc/47/74/17/1132477417.db2.gz RAWMUMAXUZVUIW-QCZKYFFMSA-N 0 3 281.396 3.563 20 10 CHCDHN C[C@@H]1C[C@@H](F)CN1Cc1cccc(C(C)(C)C)c1O ZINC001143103855 1132502547 /nfs/dbraw/zinc/50/25/47/1132502547.db2.gz LXMYJEGWQKZJTE-DGCLKSJQSA-N 0 3 265.372 3.622 20 10 CHCDHN CC(C)[C@H]1COCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143111569 1132504821 /nfs/dbraw/zinc/50/48/21/1132504821.db2.gz DDCKZZFIMYHDMN-MRXNPFEDSA-N 0 3 291.435 3.547 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(C3CC3)cc1)CC2 ZINC001232986661 1132557727 /nfs/dbraw/zinc/55/77/27/1132557727.db2.gz WKVJNEMPJIQPQF-UHFFFAOYSA-N 0 3 279.383 3.828 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(C3CC3)cc1)CC2 ZINC001232986661 1132557732 /nfs/dbraw/zinc/55/77/32/1132557732.db2.gz WKVJNEMPJIQPQF-UHFFFAOYSA-N 0 3 279.383 3.828 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+](C)CC2CCC2)c1[O-] ZINC001233111000 1132571693 /nfs/dbraw/zinc/57/16/93/1132571693.db2.gz XBWRLPUWTYCDMF-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+](C)CC2CCC2)c1[O-] ZINC001233111000 1132571699 /nfs/dbraw/zinc/57/16/99/1132571699.db2.gz XBWRLPUWTYCDMF-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c1[O-] ZINC001233287886 1132597929 /nfs/dbraw/zinc/59/79/29/1132597929.db2.gz LJLQVHFZKLLPGD-NWDGAFQWSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c1[O-] ZINC001233287886 1132597936 /nfs/dbraw/zinc/59/79/36/1132597936.db2.gz LJLQVHFZKLLPGD-NWDGAFQWSA-N 0 3 297.826 3.922 20 10 CHCDHN Cc1cnccc1Nc1cc(C(C)(C)C)ccc1O ZINC001174540198 1132900690 /nfs/dbraw/zinc/90/06/90/1132900690.db2.gz XPWMJPNWOWOPLG-UHFFFAOYSA-N 0 3 256.349 3.559 20 10 CHCDHN Cc1cc(C)nc(NCc2c(C)cc(C)cc2O)c1 ZINC001160807808 1132982243 /nfs/dbraw/zinc/98/22/43/1132982243.db2.gz FMUNZTFPLNSEHP-UHFFFAOYSA-N 0 3 256.349 3.633 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1[O-] ZINC001203541795 1133339273 /nfs/dbraw/zinc/33/92/73/1133339273.db2.gz HVDOVHOXSXNEFJ-LBPRGKRZSA-N 0 3 266.344 3.724 20 10 CHCDHN Cc1cc(C)c(C[N@@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001203746854 1133364487 /nfs/dbraw/zinc/36/44/87/1133364487.db2.gz XWYIPVNIDAFBNG-UHFFFAOYSA-N 0 3 281.399 3.876 20 10 CHCDHN Cc1cc(C)c(C[N@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001203746854 1133364494 /nfs/dbraw/zinc/36/44/94/1133364494.db2.gz XWYIPVNIDAFBNG-UHFFFAOYSA-N 0 3 281.399 3.876 20 10 CHCDHN Cc1cccc([C@H]2CCCN2Cc2ccc(O)c(O)c2)c1 ZINC001203873290 1133378899 /nfs/dbraw/zinc/37/88/99/1133378899.db2.gz BFMGTBGIEZNOAF-MRXNPFEDSA-N 0 3 283.371 3.743 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@@H]2CF)c2ccccc21 ZINC001204241165 1133424589 /nfs/dbraw/zinc/42/45/89/1133424589.db2.gz YITQVXMKCKWTHE-OAHLLOKOSA-N 0 3 286.394 3.840 20 10 CHCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001204272777 1133426896 /nfs/dbraw/zinc/42/68/96/1133426896.db2.gz RUGNMAODAPVBLH-UHFFFAOYSA-N 0 3 297.398 3.553 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001204272522 1133427140 /nfs/dbraw/zinc/42/71/40/1133427140.db2.gz PCONUTKJJPLINY-KRWDZBQOSA-N 0 3 283.371 3.825 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001204272522 1133427141 /nfs/dbraw/zinc/42/71/41/1133427141.db2.gz PCONUTKJJPLINY-KRWDZBQOSA-N 0 3 283.371 3.825 20 10 CHCDHN CCC[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)OC ZINC001204923353 1133500155 /nfs/dbraw/zinc/50/01/55/1133500155.db2.gz KUJHFNJBBCJQAQ-KRWDZBQOSA-N 0 3 291.435 3.952 20 10 CHCDHN CCC[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)OC ZINC001204923353 1133500157 /nfs/dbraw/zinc/50/01/57/1133500157.db2.gz KUJHFNJBBCJQAQ-KRWDZBQOSA-N 0 3 291.435 3.952 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)c1[O-] ZINC001206568217 1133719744 /nfs/dbraw/zinc/71/97/44/1133719744.db2.gz KEDUTUBSSJWICG-GXFFZTMASA-N 0 3 297.826 3.969 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2ccc3occc3c2)c([O-])c1 ZINC001206605181 1133726758 /nfs/dbraw/zinc/72/67/58/1133726758.db2.gz MSKISXFBHXAWRQ-UHFFFAOYSA-N 0 3 267.328 3.737 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCc1ccc(Cl)cc1)CC2 ZINC001208741598 1133939976 /nfs/dbraw/zinc/93/99/76/1133939976.db2.gz GKJNMWCMMYFNQN-UHFFFAOYSA-N 0 3 287.790 3.646 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCc1ccc(Cl)cc1)CC2 ZINC001208741598 1133939981 /nfs/dbraw/zinc/93/99/81/1133939981.db2.gz GKJNMWCMMYFNQN-UHFFFAOYSA-N 0 3 287.790 3.646 20 10 CHCDHN Cc1ccoc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000312869629 1135135846 /nfs/dbraw/zinc/13/58/46/1135135846.db2.gz UAMXUMWBHZQOBI-OLZOCXBDSA-N 0 3 271.360 3.940 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCCCCC2)c1 ZINC000020122636 171003388 /nfs/dbraw/zinc/00/33/88/171003388.db2.gz ZJICBTPVGGEMBL-LBPRGKRZSA-N 0 3 263.381 3.774 20 10 CHCDHN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000020146066 171031762 /nfs/dbraw/zinc/03/17/62/171031762.db2.gz XQMNENCFWNKABT-CQSZACIVSA-N 0 3 284.403 3.612 20 10 CHCDHN CC[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000158114936 261158721 /nfs/dbraw/zinc/15/87/21/261158721.db2.gz AWYNCXORBDEHBF-HOCLYGCPSA-N 0 3 277.408 3.782 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000179585630 261800398 /nfs/dbraw/zinc/80/03/98/261800398.db2.gz MRMNUNRFQMHFIU-UHFFFAOYSA-N 0 3 273.298 3.557 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000179585630 261800400 /nfs/dbraw/zinc/80/04/00/261800400.db2.gz MRMNUNRFQMHFIU-UHFFFAOYSA-N 0 3 273.298 3.557 20 10 CHCDHN C[C@@H](NCc1ccco1)c1cc2c(cc1O)CCCC2 ZINC000184843408 262030645 /nfs/dbraw/zinc/03/06/45/262030645.db2.gz VHKKFEMRXGPOLM-GFCCVEGCSA-N 0 3 271.360 3.715 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCCNc2ccccn2)c1 ZINC000185325383 262050632 /nfs/dbraw/zinc/05/06/32/262050632.db2.gz PRXFICFHYRKVGX-OAHLLOKOSA-N 0 3 299.418 3.639 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000185532086 262058909 /nfs/dbraw/zinc/05/89/09/262058909.db2.gz KIUFWTGEGCQBMI-QAPCUYQASA-N 0 3 299.414 3.865 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CCO)CCCCC2)c1 ZINC000185669240 262065184 /nfs/dbraw/zinc/06/51/84/262065184.db2.gz LDFIHYFNAFRRCP-HNNXBMFYSA-N 0 3 291.435 3.684 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccccc1[O-] ZINC000186602834 262101507 /nfs/dbraw/zinc/10/15/07/262101507.db2.gz APFDNCDCKOVMTG-KRWDZBQOSA-N 0 3 299.414 3.861 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])s1 ZINC000186766213 262109307 /nfs/dbraw/zinc/10/93/07/262109307.db2.gz ZYIXKVVLSNVZNA-AAEUAGOBSA-N 0 3 290.432 3.920 20 10 CHCDHN CC[C@H]([NH2+]CCCCCSC)c1ccccc1[O-] ZINC000186771018 262109632 /nfs/dbraw/zinc/10/96/32/262109632.db2.gz NRWDXCZFBKZQFH-AWEZNQCLSA-N 0 3 267.438 3.966 20 10 CHCDHN CCc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])s1 ZINC000185026429 262301154 /nfs/dbraw/zinc/30/11/54/262301154.db2.gz WPFVTKPRKZXXCT-NSHDSACASA-N 0 3 291.416 3.876 20 10 CHCDHN C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1[O-] ZINC000060717651 262391672 /nfs/dbraw/zinc/39/16/72/262391672.db2.gz FPXPTKRWUAQYHG-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000271561293 262997143 /nfs/dbraw/zinc/99/71/43/262997143.db2.gz VZOFCLVONFQRLV-INIZCTEOSA-N 0 3 295.430 3.841 20 10 CHCDHN C[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1[O-] ZINC000272837245 263009253 /nfs/dbraw/zinc/00/92/53/263009253.db2.gz IWDQFDOWJSKGJD-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN Cc1cccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1[O-] ZINC000367684277 267108765 /nfs/dbraw/zinc/10/87/65/267108765.db2.gz HPIKBKUNZDKEQP-QZTJIDSGSA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)c([O-])c1 ZINC000185751283 327844146 /nfs/dbraw/zinc/84/41/46/327844146.db2.gz FRAFFKLQPLUXSS-GFCCVEGCSA-N 0 3 290.794 3.642 20 10 CHCDHN COCCC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CCCC1 ZINC000185747408 327844265 /nfs/dbraw/zinc/84/42/65/327844265.db2.gz UXPKSZKKMSVKTL-HNNXBMFYSA-N 0 3 291.435 3.948 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000083432499 326936351 /nfs/dbraw/zinc/93/63/51/326936351.db2.gz JAVWMJDDXILLSH-HNNXBMFYSA-N 0 3 259.324 3.772 20 10 CHCDHN Cc1ccc(O)c(CN[C@@H]2CCOc3c(C)cccc32)c1 ZINC000188879350 329373941 /nfs/dbraw/zinc/37/39/41/329373941.db2.gz ZIVJYROHIHGEEH-MRXNPFEDSA-N 0 3 283.371 3.622 20 10 CHCDHN Cc1cccc2c1OCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000188881192 329374167 /nfs/dbraw/zinc/37/41/67/329374167.db2.gz MWBXITRCZKKNRT-QGZVFWFLSA-N 0 3 295.382 3.543 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccnc1C)c1ccc(C)cc1[O-] ZINC000527984778 330298536 /nfs/dbraw/zinc/29/85/36/330298536.db2.gz DRDVBCPGSRQQCP-INIZCTEOSA-N 0 3 270.376 3.645 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CC=CCC1)CC2 ZINC000527978094 330302253 /nfs/dbraw/zinc/30/22/53/330302253.db2.gz JEMBZTNHWWVMFH-UKRRQHHQSA-N 0 3 257.377 3.716 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000226582086 333265251 /nfs/dbraw/zinc/26/52/51/333265251.db2.gz BXNYWCHNTLRGID-CQSZACIVSA-N 0 3 289.375 3.858 20 10 CHCDHN CCCc1nc(C)c(CN[C@H](C)c2ccc(C)cc2O)o1 ZINC000293276045 521499198 /nfs/dbraw/zinc/49/91/98/521499198.db2.gz CPJZUDLYWUNRLG-GFCCVEGCSA-N 0 3 288.391 3.800 20 10 CHCDHN CC[C@H]([NH2+]CC1(CCOC)CC1)c1ccc(C)cc1[O-] ZINC000280030457 522574122 /nfs/dbraw/zinc/57/41/22/522574122.db2.gz IAPLEJVUBZRYKB-HNNXBMFYSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(OC)cc1 ZINC000037062609 522656202 /nfs/dbraw/zinc/65/62/02/522656202.db2.gz PFVBKAFPRKRIRY-INIZCTEOSA-N 0 3 271.360 3.642 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1)c1ccc(C)cc1[O-] ZINC000280221002 522656282 /nfs/dbraw/zinc/65/62/82/522656282.db2.gz USONZRXMGAJUNX-INIZCTEOSA-N 0 3 255.361 3.942 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CCOC)CC1)c1ccc(C)cc1[O-] ZINC000280030460 522818964 /nfs/dbraw/zinc/81/89/64/522818964.db2.gz IAPLEJVUBZRYKB-OAHLLOKOSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(C)cc1[O-] ZINC000280235188 522875678 /nfs/dbraw/zinc/87/56/78/522875678.db2.gz VMMUWUDDIAZZME-CQSZACIVSA-N 0 3 290.794 3.990 20 10 CHCDHN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000290557638 522967814 /nfs/dbraw/zinc/96/78/14/522967814.db2.gz SECUUHOCXZHXDJ-MRXNPFEDSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000290557638 522967823 /nfs/dbraw/zinc/96/78/23/522967823.db2.gz SECUUHOCXZHXDJ-MRXNPFEDSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[C@H](c1ccncc1)N(C)Cc1cc(C)ccc1O ZINC000290557638 522967827 /nfs/dbraw/zinc/96/78/27/522967827.db2.gz SECUUHOCXZHXDJ-MRXNPFEDSA-N 0 3 270.376 3.679 20 10 CHCDHN COCCC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000274187371 522988009 /nfs/dbraw/zinc/98/80/09/522988009.db2.gz JNUOJYVXSJHSQO-CQSZACIVSA-N 0 3 279.424 3.722 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])s1 ZINC000050225242 524591723 /nfs/dbraw/zinc/59/17/23/524591723.db2.gz NQJDDIMULQYRJA-LBPRGKRZSA-N 0 3 261.390 3.921 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2sccc2C)c1 ZINC000094874954 524765054 /nfs/dbraw/zinc/76/50/54/524765054.db2.gz XQNBTALVGXCQCL-LLVKDONJSA-N 0 3 277.389 3.622 20 10 CHCDHN C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036993102 524933231 /nfs/dbraw/zinc/93/32/31/524933231.db2.gz MTBDAUBWCHPXFY-RYUDHWBXSA-N 0 3 261.390 3.736 20 10 CHCDHN C[C@H](N[C@@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000037228905 525536998 /nfs/dbraw/zinc/53/69/98/525536998.db2.gz XJJFHFZFAHXKGX-KBPBESRZSA-N 0 3 269.392 3.559 20 10 CHCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1cccnc1 ZINC000037228907 525608200 /nfs/dbraw/zinc/60/82/00/525608200.db2.gz XJJFHFZFAHXKGX-UONOGXRCSA-N 0 3 269.392 3.559 20 10 CHCDHN Cc1ccoc1CNCc1cc(Cl)cc(C)c1O ZINC000292848475 525805626 /nfs/dbraw/zinc/80/56/26/525805626.db2.gz SYIBNOGKROHVRU-UHFFFAOYSA-N 0 3 265.740 3.545 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)c2ccccn2)c([O-])c1 ZINC000297477653 525916860 /nfs/dbraw/zinc/91/68/60/525916860.db2.gz ZAFOUKOVRMLPFH-AWEZNQCLSA-N 0 3 284.403 3.724 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C2CCSCC2)c([O-])c1C ZINC000273528080 525917157 /nfs/dbraw/zinc/91/71/57/525917157.db2.gz VRJNCLWRZIXDMW-LBPRGKRZSA-N 0 3 265.422 3.555 20 10 CHCDHN COc1cccc(C[NH2+]C2CC(c3ccc(C)cc3)C2)c1[O-] ZINC000289417052 526010989 /nfs/dbraw/zinc/01/09/89/526010989.db2.gz IPVJLCFZSUBIKI-UHFFFAOYSA-N 0 3 297.398 3.745 20 10 CHCDHN FC1(F)CC(NCc2ccc(N3CCCCC3)cc2)C1 ZINC000277601031 526274058 /nfs/dbraw/zinc/27/40/58/526274058.db2.gz IPLYYHFERAWGBW-UHFFFAOYSA-N 0 3 280.362 3.564 20 10 CHCDHN C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000109772796 1125469594 /nfs/dbraw/zinc/46/95/94/1125469594.db2.gz AQNCPDDOYUYUNL-LBPRGKRZSA-N 0 3 259.324 3.724 20 10 CHCDHN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000109772796 1125469595 /nfs/dbraw/zinc/46/95/95/1125469595.db2.gz AQNCPDDOYUYUNL-LBPRGKRZSA-N 0 3 259.324 3.724 20 10 CHCDHN CCOc1cccc(C[N@H+](C)CC2CCCCC2)c1[O-] ZINC000133574332 1125475709 /nfs/dbraw/zinc/47/57/09/1125475709.db2.gz KETSVUWADTWTBK-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)CC2CCCCC2)c1[O-] ZINC000133574332 1125475712 /nfs/dbraw/zinc/47/57/12/1125475712.db2.gz KETSVUWADTWTBK-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(C)o1)c1ccccc1[O-] ZINC000689792758 1120380015 /nfs/dbraw/zinc/38/00/15/1120380015.db2.gz GFQPEMIDSUSPTP-HNNXBMFYSA-N 0 3 259.349 3.577 20 10 CHCDHN CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000312436628 1120410996 /nfs/dbraw/zinc/41/09/96/1120410996.db2.gz BDJZZGRKKWHRJU-LBPRGKRZSA-N 0 3 291.288 3.694 20 10 CHCDHN CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000312436628 1120410998 /nfs/dbraw/zinc/41/09/98/1120410998.db2.gz BDJZZGRKKWHRJU-LBPRGKRZSA-N 0 3 291.288 3.694 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(C)(C(C)C)CC2)c([O-])c1 ZINC001181090558 1122033141 /nfs/dbraw/zinc/03/31/41/1122033141.db2.gz XXUCKOORBYPHHP-UHFFFAOYSA-N 0 3 261.409 3.959 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1[O-] ZINC000775702384 1122913782 /nfs/dbraw/zinc/91/37/82/1122913782.db2.gz RZDMJBLKPBJJJA-QWRGUYRKSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000866455465 1124068028 /nfs/dbraw/zinc/06/80/28/1124068028.db2.gz LUNYBMCKXYSGAN-IUCAKERBSA-N 0 3 280.368 3.708 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])s1 ZINC000876964798 1124992807 /nfs/dbraw/zinc/99/28/07/1124992807.db2.gz QKJCAGQEHONVTJ-LBPRGKRZSA-N 0 3 261.390 3.921 20 10 CHCDHN C[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1(Cl)Cl ZINC000834884051 1131717301 /nfs/dbraw/zinc/71/73/01/1131717301.db2.gz IRVJOGHYFHNFAC-MFKMUULPSA-N 0 3 286.202 3.553 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCc2ccccc21 ZINC000134226012 1125543899 /nfs/dbraw/zinc/54/38/99/1125543899.db2.gz JZYNXWFITCLBAP-OAHLLOKOSA-N 0 3 267.372 3.602 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000134226541 1125544759 /nfs/dbraw/zinc/54/47/59/1125544759.db2.gz ULTSONDEROUBRP-UHFFFAOYSA-N 0 3 299.267 3.840 20 10 CHCDHN COc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1C ZINC000729685999 1125570585 /nfs/dbraw/zinc/57/05/85/1125570585.db2.gz ZMNYNFTVVKMOAB-UHFFFAOYSA-N 0 3 285.362 3.922 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2CC)c1[O-] ZINC000135644535 1125593965 /nfs/dbraw/zinc/59/39/65/1125593965.db2.gz BNLKLFHULVBCKF-HNNXBMFYSA-N 0 3 277.408 3.946 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCCC[C@@H]2CC)c1[O-] ZINC000135644535 1125593969 /nfs/dbraw/zinc/59/39/69/1125593969.db2.gz BNLKLFHULVBCKF-HNNXBMFYSA-N 0 3 277.408 3.946 20 10 CHCDHN Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000137278390 1125657287 /nfs/dbraw/zinc/65/72/87/1125657287.db2.gz VVEHKOLCSQTJQO-CQSZACIVSA-N 0 3 255.361 3.894 20 10 CHCDHN Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000137278390 1125657291 /nfs/dbraw/zinc/65/72/91/1125657291.db2.gz VVEHKOLCSQTJQO-CQSZACIVSA-N 0 3 255.361 3.894 20 10 CHCDHN Cc1csc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000394120657 1129874135 /nfs/dbraw/zinc/87/41/35/1129874135.db2.gz WOQNARLKMJWGFD-ZDUSSCGKSA-N 0 3 259.374 3.539 20 10 CHCDHN O=C(C[C@H]1CCC[N@H+]1Cc1ccccc1[O-])c1ccccc1 ZINC000179580176 1126830947 /nfs/dbraw/zinc/83/09/47/1126830947.db2.gz GAWAOEMWSXRRBI-QGZVFWFLSA-N 0 3 295.382 3.630 20 10 CHCDHN O=C(C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-])c1ccccc1 ZINC000179580176 1126830949 /nfs/dbraw/zinc/83/09/49/1126830949.db2.gz GAWAOEMWSXRRBI-QGZVFWFLSA-N 0 3 295.382 3.630 20 10 CHCDHN C[C@H](c1cccs1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179935616 1126836855 /nfs/dbraw/zinc/83/68/55/1126836855.db2.gz PKFXDMQKKHZUSV-SNVBAGLBSA-N 0 3 265.353 3.786 20 10 CHCDHN C[C@H](c1cccs1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179935616 1126836857 /nfs/dbraw/zinc/83/68/57/1126836857.db2.gz PKFXDMQKKHZUSV-SNVBAGLBSA-N 0 3 265.353 3.786 20 10 CHCDHN Cc1csc(CCCC[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000183485548 1126887473 /nfs/dbraw/zinc/88/74/73/1126887473.db2.gz XLFWIPYFQAKDSO-ZDUSSCGKSA-N 0 3 290.432 3.831 20 10 CHCDHN COCCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCCC1 ZINC000183560731 1126888329 /nfs/dbraw/zinc/88/83/29/1126888329.db2.gz LVTGWIRQNNKVAP-AWEZNQCLSA-N 0 3 277.408 3.640 20 10 CHCDHN C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccc1[O-] ZINC000183527385 1126888457 /nfs/dbraw/zinc/88/84/57/1126888457.db2.gz IAMRWERTWKTRCU-WMLDXEAASA-N 0 3 285.387 3.557 20 10 CHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])Oc1ccccc1 ZINC000183605596 1126889322 /nfs/dbraw/zinc/88/93/22/1126889322.db2.gz UHGRBRQGDOXHSO-ZIAGYGMSSA-N 0 3 271.360 3.510 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000187927048 1126917711 /nfs/dbraw/zinc/91/77/11/1126917711.db2.gz MGJOUWPESOIRTI-KXBFYZLASA-N 0 3 299.414 3.649 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(O)c2)c1[O-] ZINC000192035468 1126957592 /nfs/dbraw/zinc/95/75/92/1126957592.db2.gz UCKIJBNJZQJFNQ-LLVKDONJSA-N 0 3 291.778 3.910 20 10 CHCDHN CC[C@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000268044514 1127011051 /nfs/dbraw/zinc/01/10/51/1127011051.db2.gz PSNZUCROEWQYLS-OAHLLOKOSA-N 0 3 299.414 3.557 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)C2CCCCCC2)c([O-])c1 ZINC000149790015 1127025368 /nfs/dbraw/zinc/02/53/68/1127025368.db2.gz JKMJQFWBMJIEFZ-ZDUSSCGKSA-N 0 3 277.408 3.849 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccccc1[O-] ZINC000155986116 1127091423 /nfs/dbraw/zinc/09/14/23/1127091423.db2.gz BEYULNZSYXFMIK-IAGOWNOFSA-N 0 3 285.387 3.557 20 10 CHCDHN Cc1cc(O)c(CN(C)Cc2ccc(F)c(F)c2)cc1C ZINC000913064362 1127120821 /nfs/dbraw/zinc/12/08/21/1127120821.db2.gz PZKMXZCYQQQLJE-UHFFFAOYSA-N 0 3 291.341 3.919 20 10 CHCDHN CCCCC[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121594 1131057057 /nfs/dbraw/zinc/05/70/57/1131057057.db2.gz XZNSFUVIBJTDNQ-UHFFFAOYSA-N 0 3 291.313 3.913 20 10 CHCDHN CCCCC[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121594 1131057063 /nfs/dbraw/zinc/05/70/63/1131057063.db2.gz XZNSFUVIBJTDNQ-UHFFFAOYSA-N 0 3 291.313 3.913 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccccc1[O-] ZINC000156588545 1127160062 /nfs/dbraw/zinc/16/00/62/1127160062.db2.gz RSSOXHWJIAWPHC-YOEHRIQHSA-N 0 3 285.387 3.900 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCc2cccc(C)n2)c([O-])c1 ZINC000287545673 1127309739 /nfs/dbraw/zinc/30/97/39/1127309739.db2.gz PNXFURWYRGADGO-HNNXBMFYSA-N 0 3 284.403 3.687 20 10 CHCDHN CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000760902650 1127324758 /nfs/dbraw/zinc/32/47/58/1127324758.db2.gz HHFAZAHARVFUJG-WPRPVWTQSA-N 0 3 279.277 3.913 20 10 CHCDHN CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000760903765 1127325317 /nfs/dbraw/zinc/32/53/17/1127325317.db2.gz YRGTXWGIIAEOBV-VHSXEESVSA-N 0 3 261.287 3.774 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCSC2)c([O-])c1 ZINC000294008516 1127541559 /nfs/dbraw/zinc/54/15/59/1127541559.db2.gz DENOTHUTCZRINO-ZIAGYGMSSA-N 0 3 279.449 3.803 20 10 CHCDHN CC[C@H]([NH2+]CCCc1ncccc1C)c1ccccc1[O-] ZINC000295087196 1127619519 /nfs/dbraw/zinc/61/95/19/1127619519.db2.gz SQZMINFDYJKZTK-INIZCTEOSA-N 0 3 284.403 3.769 20 10 CHCDHN Cc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1F ZINC000295886039 1127656637 /nfs/dbraw/zinc/65/66/37/1127656637.db2.gz HXQIDADZADVWBR-OAHLLOKOSA-N 0 3 271.335 3.617 20 10 CHCDHN CC[C@H]([NH2+]CCc1scnc1C)c1ccc(C)cc1[O-] ZINC000296390795 1127670318 /nfs/dbraw/zinc/67/03/18/1127670318.db2.gz KBENSUYUJCAVTP-AWEZNQCLSA-N 0 3 290.432 3.749 20 10 CHCDHN Cc1cc(Cl)nc(CN[C@@H]2CCc3cccc(O)c32)c1 ZINC000296495850 1127673810 /nfs/dbraw/zinc/67/38/10/1127673810.db2.gz PVIRQBBFYRPRKV-CYBMUJFWSA-N 0 3 288.778 3.526 20 10 CHCDHN CCCNc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296611538 1127678664 /nfs/dbraw/zinc/67/86/64/1127678664.db2.gz YNBUSUYFFQGIKV-QGZVFWFLSA-N 0 3 296.414 3.991 20 10 CHCDHN CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000230662616 1127771374 /nfs/dbraw/zinc/77/13/74/1127771374.db2.gz RWLOIORZDBHVMN-WCFLWFBJSA-N 0 3 283.412 3.856 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC2(C(C)C)CC2)c1[O-] ZINC000230935112 1127784575 /nfs/dbraw/zinc/78/45/75/1127784575.db2.gz WXQNLTWOUYJGAN-UHFFFAOYSA-N 0 3 283.799 3.580 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1ccccc1[O-] ZINC000800492511 1127900045 /nfs/dbraw/zinc/90/00/45/1127900045.db2.gz JYCABQOCXLBIQD-AWEZNQCLSA-N 0 3 290.794 3.990 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC1=CCCCC1)CC2 ZINC000311903458 1127962366 /nfs/dbraw/zinc/96/23/66/1127962366.db2.gz QDPIPFLSKXVZSW-HNNXBMFYSA-N 0 3 257.377 3.860 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)ccc2C1 ZINC001168440946 1128067438 /nfs/dbraw/zinc/06/74/38/1128067438.db2.gz NQGVBKDWBKSSSY-KRWDZBQOSA-N 0 3 285.362 3.521 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2cc(F)ccc2C1 ZINC001168440946 1128067441 /nfs/dbraw/zinc/06/74/41/1128067441.db2.gz NQGVBKDWBKSSSY-KRWDZBQOSA-N 0 3 285.362 3.521 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cnn(C2CCC2)c1 ZINC000924573889 1128105700 /nfs/dbraw/zinc/10/57/00/1128105700.db2.gz LDZGIHPGNKCTJA-CQSZACIVSA-N 0 3 298.434 3.525 20 10 CHCDHN COc1ccc(O)c(CNCc2cc3cc(C)ccc3o2)c1 ZINC000152257845 1128112579 /nfs/dbraw/zinc/11/25/79/1128112579.db2.gz CTEAHEHSBLCKBH-UHFFFAOYSA-N 0 3 297.354 3.745 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)CC2 ZINC000297495674 1129225268 /nfs/dbraw/zinc/22/52/68/1129225268.db2.gz BRMFTWYFEPIEQP-AWEZNQCLSA-N 0 3 291.753 3.962 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c([O-])c1 ZINC000926917659 1128202198 /nfs/dbraw/zinc/20/21/98/1128202198.db2.gz CQNDVIYWGSNZDO-ZIAGYGMSSA-N 0 3 297.398 3.875 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCc3cccnc32)c1 ZINC000927060399 1128212596 /nfs/dbraw/zinc/21/25/96/1128212596.db2.gz BHNSGIAKJTWARP-BLLLJJGKSA-N 0 3 298.386 3.524 20 10 CHCDHN CCN(Cc1c2ccccc2n(C)c1C)Cc1cccnc1 ZINC001138256838 1128303420 /nfs/dbraw/zinc/30/34/20/1128303420.db2.gz MLBUQPRYAXFRQQ-UHFFFAOYSA-N 0 3 293.414 3.904 20 10 CHCDHN CCN(C)c1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000932382600 1128406074 /nfs/dbraw/zinc/40/60/74/1128406074.db2.gz AHRIIGOEZDCJEI-LJQANCHMSA-N 0 3 295.430 3.779 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000763394894 1128432504 /nfs/dbraw/zinc/43/25/04/1128432504.db2.gz HFGOIWSDGURORX-HNNXBMFYSA-N 0 3 273.763 3.823 20 10 CHCDHN COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccccc1[O-] ZINC000778995527 1128674819 /nfs/dbraw/zinc/67/48/19/1128674819.db2.gz BFFAYGZIGUCHMN-SFHVURJKSA-N 0 3 297.398 3.910 20 10 CHCDHN COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccccc1[O-] ZINC000778995527 1128674821 /nfs/dbraw/zinc/67/48/21/1128674821.db2.gz BFFAYGZIGUCHMN-SFHVURJKSA-N 0 3 297.398 3.910 20 10 CHCDHN CCC(CC)[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000778996436 1128675234 /nfs/dbraw/zinc/67/52/34/1128675234.db2.gz ONWBADXFVAPBIM-UHFFFAOYSA-N 0 3 251.345 3.684 20 10 CHCDHN CCC(CC)[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000778996436 1128675236 /nfs/dbraw/zinc/67/52/36/1128675236.db2.gz ONWBADXFVAPBIM-UHFFFAOYSA-N 0 3 251.345 3.684 20 10 CHCDHN CC[N@H+](CCc1cccs1)Cc1cc(F)ccc1[O-] ZINC000778999625 1128675345 /nfs/dbraw/zinc/67/53/45/1128675345.db2.gz IZLSNVRRMGSPFB-UHFFFAOYSA-N 0 3 279.380 3.657 20 10 CHCDHN CC[N@@H+](CCc1cccs1)Cc1cc(F)ccc1[O-] ZINC000778999625 1128675346 /nfs/dbraw/zinc/67/53/46/1128675346.db2.gz IZLSNVRRMGSPFB-UHFFFAOYSA-N 0 3 279.380 3.657 20 10 CHCDHN C[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000779022977 1128686885 /nfs/dbraw/zinc/68/68/85/1128686885.db2.gz MZWXBEISTRFVAZ-SFHVURJKSA-N 0 3 267.372 3.556 20 10 CHCDHN C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000779022977 1128686887 /nfs/dbraw/zinc/68/68/87/1128686887.db2.gz MZWXBEISTRFVAZ-SFHVURJKSA-N 0 3 267.372 3.556 20 10 CHCDHN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CC2 ZINC000779075171 1128718696 /nfs/dbraw/zinc/71/86/96/1128718696.db2.gz XSAWJMNWKRYLDT-INIZCTEOSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCSC(F)(F)F)c([O-])c1 ZINC000185086491 1117761094 /nfs/dbraw/zinc/76/10/94/1117761094.db2.gz GUPJACXUVCKPCW-VIFPVBQESA-N 0 3 279.327 3.604 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000325064051 1117842230 /nfs/dbraw/zinc/84/22/30/1117842230.db2.gz UCQRPVVUNFEKPB-YVEFUNNKSA-N 0 3 259.393 3.930 20 10 CHCDHN CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185620769 1117858286 /nfs/dbraw/zinc/85/82/86/1117858286.db2.gz URRYWCPAMFBOLZ-AWEZNQCLSA-N 0 3 279.424 3.540 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cc(F)ccc1[O-] ZINC000186041279 1117974445 /nfs/dbraw/zinc/97/44/45/1117974445.db2.gz SUEZFCDEPYAQKV-QWHCGFSZSA-N 0 3 289.350 3.649 20 10 CHCDHN COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179564979 1128748702 /nfs/dbraw/zinc/74/87/02/1128748702.db2.gz IDRDXRRRCOIDGZ-QGZVFWFLSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179564979 1128748704 /nfs/dbraw/zinc/74/87/04/1128748704.db2.gz IDRDXRRRCOIDGZ-QGZVFWFLSA-N 0 3 297.398 3.608 20 10 CHCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccccc1[O-] ZINC000179576727 1128749597 /nfs/dbraw/zinc/74/95/97/1128749597.db2.gz YLCRFNSYHOGBER-PBHICJAKSA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccccc1[O-] ZINC000179576727 1128749601 /nfs/dbraw/zinc/74/96/01/1128749601.db2.gz YLCRFNSYHOGBER-PBHICJAKSA-N 0 3 267.372 3.770 20 10 CHCDHN CC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179646443 1128751678 /nfs/dbraw/zinc/75/16/78/1128751678.db2.gz MJSQBUXBCPQAHC-CRAIPNDOSA-N 0 3 299.414 3.726 20 10 CHCDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179646443 1128751681 /nfs/dbraw/zinc/75/16/81/1128751681.db2.gz MJSQBUXBCPQAHC-CRAIPNDOSA-N 0 3 299.414 3.726 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccncc1OC)c1ccccc1[O-] ZINC000188763241 1128765322 /nfs/dbraw/zinc/76/53/22/1128765322.db2.gz SMNMKAYQTVLEMP-WFASDCNBSA-N 0 3 286.375 3.598 20 10 CHCDHN COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000179873271 1128763862 /nfs/dbraw/zinc/76/38/62/1128763862.db2.gz FXFBMAJCDQOTBP-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(Cl)cc1CN[C@H](C)c1ccccc1O ZINC000179873271 1128763865 /nfs/dbraw/zinc/76/38/65/1128763865.db2.gz FXFBMAJCDQOTBP-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c([O-])c1 ZINC000188661195 1128764009 /nfs/dbraw/zinc/76/40/09/1128764009.db2.gz LJRNTZHXSUEXFD-KBXCAEBGSA-N 0 3 291.435 3.683 20 10 CHCDHN CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[O-] ZINC000179933637 1128767416 /nfs/dbraw/zinc/76/74/16/1128767416.db2.gz RYUZJVPTORYVQA-UHFFFAOYSA-N 0 3 298.361 3.814 20 10 CHCDHN CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[O-] ZINC000179933637 1128767417 /nfs/dbraw/zinc/76/74/17/1128767417.db2.gz RYUZJVPTORYVQA-UHFFFAOYSA-N 0 3 298.361 3.814 20 10 CHCDHN COc1cccc(CN[C@@H](C)c2cc3ccccc3o2)c1O ZINC000189091013 1128767512 /nfs/dbraw/zinc/76/75/12/1128767512.db2.gz CTLCUPUJVCTGGV-LBPRGKRZSA-N 0 3 297.354 3.998 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1cccs1)C1CC1 ZINC000179926519 1128768067 /nfs/dbraw/zinc/76/80/67/1128768067.db2.gz PWJJEVAOASXMIA-UHFFFAOYSA-N 0 3 277.364 3.757 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000179926519 1128768069 /nfs/dbraw/zinc/76/80/69/1128768069.db2.gz PWJJEVAOASXMIA-UHFFFAOYSA-N 0 3 277.364 3.757 20 10 CHCDHN CCN(Cc1ccccn1)Cc1cc2c(cc1O)CCCC2 ZINC000160380418 1118381015 /nfs/dbraw/zinc/38/10/15/1118381015.db2.gz QXRSZIFLZWEKQS-UHFFFAOYSA-N 0 3 296.414 3.688 20 10 CHCDHN CC(C)(C)SCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296717314 1118607425 /nfs/dbraw/zinc/60/74/25/1118607425.db2.gz IMZFZVFAIAUGMH-GFCCVEGCSA-N 0 3 265.422 3.501 20 10 CHCDHN C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1[O-] ZINC000588424096 1118667379 /nfs/dbraw/zinc/66/73/79/1118667379.db2.gz WDVPTBKWXMSDLB-JKEYDSJLSA-N 0 3 253.345 3.756 20 10 CHCDHN COc1ccc(C[N@H+](C)C2CCCCCC2)c([O-])c1OC ZINC000891533748 1118704911 /nfs/dbraw/zinc/70/49/11/1118704911.db2.gz DOWFRHQSFBWJCQ-UHFFFAOYSA-N 0 3 293.407 3.564 20 10 CHCDHN COc1ccc(C[N@@H+](C)C2CCCCCC2)c([O-])c1OC ZINC000891533748 1118704912 /nfs/dbraw/zinc/70/49/12/1118704912.db2.gz DOWFRHQSFBWJCQ-UHFFFAOYSA-N 0 3 293.407 3.564 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1[O-] ZINC000132830657 1118856399 /nfs/dbraw/zinc/85/63/99/1118856399.db2.gz VLXBQQRRTRPULO-MRXNPFEDSA-N 0 3 289.419 3.946 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1[O-] ZINC000132830657 1118856405 /nfs/dbraw/zinc/85/64/05/1118856405.db2.gz VLXBQQRRTRPULO-MRXNPFEDSA-N 0 3 289.419 3.946 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)CCSC)c1ccccc1[O-] ZINC000129683717 1118880354 /nfs/dbraw/zinc/88/03/54/1118880354.db2.gz DMEUGFPGKAJMBB-WCQYABFASA-N 0 3 253.411 3.575 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc3C2)c([O-])c1 ZINC000051630741 1119061594 /nfs/dbraw/zinc/06/15/94/1119061594.db2.gz IRQWBDUFNAHYGW-PBHICJAKSA-N 0 3 281.399 3.909 20 10 CHCDHN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000049553089 1119103860 /nfs/dbraw/zinc/10/38/60/1119103860.db2.gz MKKGDMODJVIAGS-KBPBESRZSA-N 0 3 286.419 3.536 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000226561853 1119157394 /nfs/dbraw/zinc/15/73/94/1119157394.db2.gz LPMLKPNHKOSOPK-QWHCGFSZSA-N 0 3 263.356 3.543 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000226561853 1119157395 /nfs/dbraw/zinc/15/73/95/1119157395.db2.gz LPMLKPNHKOSOPK-QWHCGFSZSA-N 0 3 263.356 3.543 20 10 CHCDHN C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000077428688 1119195341 /nfs/dbraw/zinc/19/53/41/1119195341.db2.gz UGNCYYJWUPFHHA-GJZGRUSLSA-N 0 3 299.414 3.556 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000226582160 1119208599 /nfs/dbraw/zinc/20/85/99/1119208599.db2.gz GCYFEUXYRUVNME-MRXNPFEDSA-N 0 3 271.335 3.699 20 10 CHCDHN CSc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000179887223 1119790827 /nfs/dbraw/zinc/79/08/27/1119790827.db2.gz LQSDIXSZKAQKMV-GFCCVEGCSA-N 0 3 273.401 3.965 20 10 CHCDHN Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CCC2 ZINC000376351224 1119951510 /nfs/dbraw/zinc/95/15/10/1119951510.db2.gz JXXNQBQJUFMWSV-GXFFZTMASA-N 0 3 288.416 3.885 20 10 CHCDHN CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1ccccc1O)CCC2 ZINC000765817430 1120062997 /nfs/dbraw/zinc/06/29/97/1120062997.db2.gz LIDYMJYNTBQFKJ-CJNGLKHVSA-N 0 3 299.418 3.898 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780520391 1120159460 /nfs/dbraw/zinc/15/94/60/1120159460.db2.gz OMVJJOBLOXKYJU-FUHWJXTLSA-N 0 3 281.399 3.893 20 10 CHCDHN CC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309409036 1120294323 /nfs/dbraw/zinc/29/43/23/1120294323.db2.gz BKIJVLIYXKGCHA-ZJUUUORDSA-N 0 3 286.213 3.912 20 10 CHCDHN COc1ccc(N2CCN([C@H](C)c3ccccc3)CC2)cc1 ZINC000078224899 1128907415 /nfs/dbraw/zinc/90/74/15/1128907415.db2.gz MVDSWWAQXCKIES-MRXNPFEDSA-N 0 3 296.414 3.578 20 10 CHCDHN CCOC1(C[NH2+][C@H](CC)c2ccccc2[O-])CCCC1 ZINC000312487717 1120448450 /nfs/dbraw/zinc/44/84/50/1120448450.db2.gz QMAOVHPRIAVSNO-OAHLLOKOSA-N 0 3 277.408 3.782 20 10 CHCDHN Cc1ccc2c(CC[NH2+]Cc3ccccc3[O-])cn(C)c2c1 ZINC000186547500 1120558899 /nfs/dbraw/zinc/55/88/99/1120558899.db2.gz VMKAACOTUWVADH-UHFFFAOYSA-N 0 3 294.398 3.525 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)c2c1c(F)ccc2[O-] ZINC000756636638 1120644478 /nfs/dbraw/zinc/64/44/78/1120644478.db2.gz FLUFGTIJNDPQRA-FOGDFJRCSA-N 0 3 281.396 3.565 20 10 CHCDHN Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094950972 1121247721 /nfs/dbraw/zinc/24/77/21/1121247721.db2.gz FHFJWLFDQUMUOT-LBPRGKRZSA-N 0 3 291.341 3.872 20 10 CHCDHN CCC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000708466418 1121464029 /nfs/dbraw/zinc/46/40/29/1121464029.db2.gz HSDTULNTLZNRRT-GFCCVEGCSA-N 0 3 251.345 3.543 20 10 CHCDHN CCC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000708466418 1121464033 /nfs/dbraw/zinc/46/40/33/1121464033.db2.gz HSDTULNTLZNRRT-GFCCVEGCSA-N 0 3 251.345 3.543 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1[O-] ZINC000709496881 1121470537 /nfs/dbraw/zinc/47/05/37/1121470537.db2.gz BOWIYYZXVZHCMW-UONOGXRCSA-N 0 3 275.392 3.535 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000727467624 1121720700 /nfs/dbraw/zinc/72/07/00/1121720700.db2.gz JDGGWNHMLSIIBX-SFHVURJKSA-N 0 3 297.398 3.718 20 10 CHCDHN CCN(C)c1ccc(CN(C)[C@@H](C)c2ccccn2)cc1 ZINC000773802873 1121856682 /nfs/dbraw/zinc/85/66/82/1121856682.db2.gz AGKHQMDBXJMFFM-HNNXBMFYSA-N 0 3 283.419 3.731 20 10 CHCDHN CCN(C)c1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000773809999 1121868305 /nfs/dbraw/zinc/86/83/05/1121868305.db2.gz HCMHLFUZKANZKD-AWEZNQCLSA-N 0 3 284.403 3.699 20 10 CHCDHN Cc1cc(C)cc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000731843044 1121888190 /nfs/dbraw/zinc/88/81/90/1121888190.db2.gz PEBCQCPXCVBXQY-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1cc(C)cc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000731843044 1121888197 /nfs/dbraw/zinc/88/81/97/1121888197.db2.gz PEBCQCPXCVBXQY-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN C[C@H](CCc1ccccc1)[N@H+](C)Cc1ccccc1[O-] ZINC000731842774 1121888378 /nfs/dbraw/zinc/88/83/78/1121888378.db2.gz AIDZHBKQDDNZMV-OAHLLOKOSA-N 0 3 269.388 3.845 20 10 CHCDHN C[C@H](CCc1ccccc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000731842774 1121888387 /nfs/dbraw/zinc/88/83/87/1121888387.db2.gz AIDZHBKQDDNZMV-OAHLLOKOSA-N 0 3 269.388 3.845 20 10 CHCDHN CC(C)CC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001180136554 1121951122 /nfs/dbraw/zinc/95/11/22/1121951122.db2.gz GHUAVVXZXPFPBK-OAHLLOKOSA-N 0 3 265.372 3.932 20 10 CHCDHN CC(C)CC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001180136554 1121951127 /nfs/dbraw/zinc/95/11/27/1121951127.db2.gz GHUAVVXZXPFPBK-OAHLLOKOSA-N 0 3 265.372 3.932 20 10 CHCDHN CC(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000733322757 1121975831 /nfs/dbraw/zinc/97/58/31/1121975831.db2.gz SLRDABFYACDKCX-UHFFFAOYSA-N 0 3 255.361 3.805 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000733326660 1121977985 /nfs/dbraw/zinc/97/79/85/1121977985.db2.gz RSFWCWHQIXFHEF-UHFFFAOYSA-N 0 3 297.398 3.611 20 10 CHCDHN CC(C)[C@H](NCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000774407708 1122162141 /nfs/dbraw/zinc/16/21/41/1122162141.db2.gz XZJGFHCIOBPDPS-SFHVURJKSA-N 0 3 282.387 3.503 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCCc2nccs2)c1[O-] ZINC000271950838 1122184382 /nfs/dbraw/zinc/18/43/82/1122184382.db2.gz BRDUPOGQPIKXAH-UHFFFAOYSA-N 0 3 296.823 3.533 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cn3ccccc3n2)c(O)c1C ZINC000273303092 1122227381 /nfs/dbraw/zinc/22/73/81/1122227381.db2.gz CBMYRGCMXWRNGO-AWEZNQCLSA-N 0 3 295.386 3.508 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000273503724 1122235970 /nfs/dbraw/zinc/23/59/70/1122235970.db2.gz QOVBBXDKOHDWGR-JJRVBVJISA-N 0 3 277.408 3.555 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(Cl)cn2)c(O)c1C ZINC000273542923 1122238012 /nfs/dbraw/zinc/23/80/12/1122238012.db2.gz YRQVRUGCUFUYCP-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(F)ccc1[O-] ZINC000273562937 1122239192 /nfs/dbraw/zinc/23/91/92/1122239192.db2.gz IPYMCRLKEHMSCA-BONVTDFDSA-N 0 3 287.334 3.575 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1[O-] ZINC000183331899 1129045980 /nfs/dbraw/zinc/04/59/80/1129045980.db2.gz YDCKJZTXYYOSCJ-KRWDZBQOSA-N 0 3 297.398 3.611 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1F ZINC000183393267 1129051477 /nfs/dbraw/zinc/05/14/77/1129051477.db2.gz DAVBINMQSVKEEL-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000183427020 1129054593 /nfs/dbraw/zinc/05/45/93/1129054593.db2.gz IIIHPBBDPMTJAD-ZDUSSCGKSA-N 0 3 285.362 3.914 20 10 CHCDHN CCc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000775131229 1122436385 /nfs/dbraw/zinc/43/63/85/1122436385.db2.gz UFUWXVQTVGDGKU-AWEZNQCLSA-N 0 3 269.388 3.848 20 10 CHCDHN COc1ccc(C)cc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000775136587 1122437562 /nfs/dbraw/zinc/43/75/62/1122437562.db2.gz LNCBEMWBSQMLRG-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775135054 1122437630 /nfs/dbraw/zinc/43/76/30/1122437630.db2.gz CORYDFCCWROWBK-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])CC1CCC1 ZINC000775178566 1122467704 /nfs/dbraw/zinc/46/77/04/1122467704.db2.gz VGJCKRYGXXCBBM-UHFFFAOYSA-N 0 3 251.345 3.542 20 10 CHCDHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])CC1CCC1 ZINC000775178566 1122467708 /nfs/dbraw/zinc/46/77/08/1122467708.db2.gz VGJCKRYGXXCBBM-UHFFFAOYSA-N 0 3 251.345 3.542 20 10 CHCDHN CC[C@@H]([NH2+]CCOc1ccc(C)cc1)c1ccccc1[O-] ZINC000775412725 1122554911 /nfs/dbraw/zinc/55/49/11/1122554911.db2.gz OPVJCFPPONMUII-QGZVFWFLSA-N 0 3 285.387 3.820 20 10 CHCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC000775580923 1122681221 /nfs/dbraw/zinc/68/12/21/1122681221.db2.gz DOMOUONRXNMYET-RYUDHWBXSA-N 0 3 275.421 3.621 20 10 CHCDHN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775582098 1122682345 /nfs/dbraw/zinc/68/23/45/1122682345.db2.gz LMGDGUPCSJMYEZ-VXGBXAGGSA-N 0 3 289.448 3.929 20 10 CHCDHN CCC[C@@H](C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000775642084 1122849857 /nfs/dbraw/zinc/84/98/57/1122849857.db2.gz AIWCGKFZDZKXTQ-WBVHZDCISA-N 0 3 291.435 3.809 20 10 CHCDHN CCC[C@@H](C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000775642084 1122849860 /nfs/dbraw/zinc/84/98/60/1122849860.db2.gz AIWCGKFZDZKXTQ-WBVHZDCISA-N 0 3 291.435 3.809 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1[O-] ZINC000775702384 1122913779 /nfs/dbraw/zinc/91/37/79/1122913779.db2.gz RZDMJBLKPBJJJA-QWRGUYRKSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000775716549 1122920885 /nfs/dbraw/zinc/92/08/85/1122920885.db2.gz XQOWBYHXVDIISE-KOLCDFICSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000775716549 1122920887 /nfs/dbraw/zinc/92/08/87/1122920887.db2.gz XQOWBYHXVDIISE-KOLCDFICSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]2C(C)C)c1[O-] ZINC000775766278 1122952430 /nfs/dbraw/zinc/95/24/30/1122952430.db2.gz VXCDUMBJKGJWMH-CYBMUJFWSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]2C(C)C)c1[O-] ZINC000775766278 1122952435 /nfs/dbraw/zinc/95/24/35/1122952435.db2.gz VXCDUMBJKGJWMH-CYBMUJFWSA-N 0 3 253.773 3.584 20 10 CHCDHN CCOc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC001199329192 1123027954 /nfs/dbraw/zinc/02/79/54/1123027954.db2.gz PJROETXKHAXWOF-UHFFFAOYSA-N 0 3 297.398 3.700 20 10 CHCDHN COc1ccccc1[C@H](C)N(C)Cc1ccc(N(C)C)cc1 ZINC001203936562 1123032674 /nfs/dbraw/zinc/03/26/74/1123032674.db2.gz GJNLREZXQOVYBY-HNNXBMFYSA-N 0 3 298.430 3.954 20 10 CHCDHN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000776014051 1123034857 /nfs/dbraw/zinc/03/48/57/1123034857.db2.gz QGVSAHASFPGBQN-PWSUYJOCSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccccc1[O-] ZINC000776014051 1123034862 /nfs/dbraw/zinc/03/48/62/1123034862.db2.gz QGVSAHASFPGBQN-PWSUYJOCSA-N 0 3 273.298 3.555 20 10 CHCDHN CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000850501862 1123275504 /nfs/dbraw/zinc/27/55/04/1123275504.db2.gz QIQNEGOCHFUPJT-CQSZACIVSA-N 0 3 293.451 3.929 20 10 CHCDHN C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000850518663 1123278853 /nfs/dbraw/zinc/27/88/53/1123278853.db2.gz SMVJBFMSMBGHGU-JCURWCKSSA-N 0 3 279.383 3.698 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1ccccc1[O-] ZINC000850518337 1123278997 /nfs/dbraw/zinc/27/89/97/1123278997.db2.gz OWUJENHAVNFCKJ-OGHNNQOOSA-N 0 3 267.372 3.771 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)c2c1c(F)ccc2[O-] ZINC000850552672 1123289845 /nfs/dbraw/zinc/28/98/45/1123289845.db2.gz PJDRAUJCGFZEMJ-QRTLGDNMSA-N 0 3 299.336 3.961 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccccc1[O-] ZINC000850553982 1123291103 /nfs/dbraw/zinc/29/11/03/1123291103.db2.gz GBPFMNUOKWOELP-FEPKRQSRSA-N 0 3 265.372 3.960 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1C ZINC000850578321 1123296115 /nfs/dbraw/zinc/29/61/15/1123296115.db2.gz KOVDRMXISSKIBW-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN CC[C@H](CC(F)F)C[N@H+](C)Cc1ccccc1[O-] ZINC000851841501 1123384437 /nfs/dbraw/zinc/38/44/37/1123384437.db2.gz UIQWTCULSQLNPZ-LLVKDONJSA-N 0 3 257.324 3.505 20 10 CHCDHN CC[C@H](CC(F)F)C[N@@H+](C)Cc1ccccc1[O-] ZINC000851841501 1123384441 /nfs/dbraw/zinc/38/44/41/1123384441.db2.gz UIQWTCULSQLNPZ-LLVKDONJSA-N 0 3 257.324 3.505 20 10 CHCDHN CC(C)=CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841116 1123384956 /nfs/dbraw/zinc/38/49/56/1123384956.db2.gz NFZPNDIZJAWLGB-KRWDZBQOSA-N 0 3 289.419 3.730 20 10 CHCDHN CC(C)=CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000851841116 1123384964 /nfs/dbraw/zinc/38/49/64/1123384964.db2.gz NFZPNDIZJAWLGB-KRWDZBQOSA-N 0 3 289.419 3.730 20 10 CHCDHN C[C@@]1(C2CC2)C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000853527766 1123442825 /nfs/dbraw/zinc/44/28/25/1123442825.db2.gz FFSAJYBOIXAKOF-IBGZPJMESA-N 0 3 297.398 3.546 20 10 CHCDHN C[C@@]1(C2CC2)C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000853527766 1123442828 /nfs/dbraw/zinc/44/28/28/1123442828.db2.gz FFSAJYBOIXAKOF-IBGZPJMESA-N 0 3 297.398 3.546 20 10 CHCDHN CCC(CC)[C@@H](CC[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000783519323 1123470154 /nfs/dbraw/zinc/47/01/54/1123470154.db2.gz RLSZAXGZBUUYSB-SUMWQHHRSA-N 0 3 279.424 3.884 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788226 1123514493 /nfs/dbraw/zinc/51/44/93/1123514493.db2.gz MCBBYQDCCZZICY-JSGCOSHPSA-N 0 3 285.309 3.557 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000895788226 1123514496 /nfs/dbraw/zinc/51/44/96/1123514496.db2.gz MCBBYQDCCZZICY-JSGCOSHPSA-N 0 3 285.309 3.557 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000895820435 1123518050 /nfs/dbraw/zinc/51/80/50/1123518050.db2.gz FTFIHLFRKCACIH-QGZVFWFLSA-N 0 3 289.419 3.530 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c([O-])c1 ZINC000857081925 1123585862 /nfs/dbraw/zinc/58/58/62/1123585862.db2.gz RKWDCHRBOIBUKJ-VXGBXAGGSA-N 0 3 269.335 3.705 20 10 CHCDHN COc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1C ZINC000896803958 1123625887 /nfs/dbraw/zinc/62/58/87/1123625887.db2.gz PLYAWAMIUHQXCL-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN CCc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC001648968389 1123627875 /nfs/dbraw/zinc/62/78/75/1123627875.db2.gz AOMOPQRXWKNLBG-UHFFFAOYSA-N 0 3 286.394 3.744 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]Cc1ccccc1CC(C)C ZINC000858205007 1123637802 /nfs/dbraw/zinc/63/78/02/1123637802.db2.gz WFVYZLMVZIEWLD-UHFFFAOYSA-N 0 3 299.414 3.889 20 10 CHCDHN CO[C@H]1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000858330949 1123645896 /nfs/dbraw/zinc/64/58/96/1123645896.db2.gz LQPOMYLLGBIRAT-UJKQEGAGSA-N 0 3 297.398 3.574 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2cccnc2C)cc1 ZINC000858518116 1123659565 /nfs/dbraw/zinc/65/95/65/1123659565.db2.gz FMHIQCHFVUMITC-AWEZNQCLSA-N 0 3 283.419 3.697 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000858548248 1123661642 /nfs/dbraw/zinc/66/16/42/1123661642.db2.gz RPODEDAHAXRXIK-XEGUGMAKSA-N 0 3 295.810 3.572 20 10 CHCDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccns2)c(O)c1C ZINC000858575590 1123663822 /nfs/dbraw/zinc/66/38/22/1123663822.db2.gz BLRDDKNFWXWEAS-VXGBXAGGSA-N 0 3 276.405 3.877 20 10 CHCDHN Cc1cc(Cl)nc(CN[C@@H](C)c2ccccc2O)c1 ZINC000281930960 1123750761 /nfs/dbraw/zinc/75/07/61/1123750761.db2.gz AYFWZUMPNMOUJJ-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440428 1123809845 /nfs/dbraw/zinc/80/98/45/1123809845.db2.gz HMASNYWHLLUYOH-IYBDPMFKSA-N 0 3 265.356 3.511 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440428 1123809848 /nfs/dbraw/zinc/80/98/48/1123809848.db2.gz HMASNYWHLLUYOH-IYBDPMFKSA-N 0 3 265.356 3.511 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1(C)COC1 ZINC000862477767 1123813594 /nfs/dbraw/zinc/81/35/94/1123813594.db2.gz QOHWJPBKSITTDI-UHFFFAOYSA-N 0 3 297.398 3.528 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1(C)COC1 ZINC000862477767 1123813605 /nfs/dbraw/zinc/81/36/05/1123813605.db2.gz QOHWJPBKSITTDI-UHFFFAOYSA-N 0 3 297.398 3.528 20 10 CHCDHN C/C=C/C[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862550492 1123819303 /nfs/dbraw/zinc/81/93/03/1123819303.db2.gz MEJJDQYZMZVETL-RDFMZFSFSA-N 0 3 275.392 3.579 20 10 CHCDHN C/C=C/C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862550492 1123819312 /nfs/dbraw/zinc/81/93/12/1123819312.db2.gz MEJJDQYZMZVETL-RDFMZFSFSA-N 0 3 275.392 3.579 20 10 CHCDHN CC[C@@H]([NH2+]CCCCSC)c1ccccc1[O-] ZINC000119186889 1123835724 /nfs/dbraw/zinc/83/57/24/1123835724.db2.gz HXYUDUWATIWWEW-CYBMUJFWSA-N 0 3 253.411 3.576 20 10 CHCDHN CC[C@@H]([NH2+]CCN(C(C)C)C(C)C)c1ccccc1[O-] ZINC000084523728 1129153515 /nfs/dbraw/zinc/15/35/15/1129153515.db2.gz VJUKENBSOHYZPQ-MRXNPFEDSA-N 0 3 278.440 3.552 20 10 CHCDHN CCCC[C@@H](COC)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794801662 1123950726 /nfs/dbraw/zinc/95/07/26/1123950726.db2.gz KDKMYNOKASONGL-GOEBONIOSA-N 0 3 279.424 3.947 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(C)cc1[O-] ZINC000794802155 1123950744 /nfs/dbraw/zinc/95/07/44/1123950744.db2.gz MVAZOZXNXNENQM-WBVHZDCISA-N 0 3 293.451 3.786 20 10 CHCDHN CC[C@H]([NH2+]CCCCSC)c1ccc(C)cc1[O-] ZINC000794805566 1123954115 /nfs/dbraw/zinc/95/41/15/1123954115.db2.gz XGCDWUDGPHFLCV-AWEZNQCLSA-N 0 3 267.438 3.885 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C)c1ccc(C)cc1[O-] ZINC000794806395 1123955774 /nfs/dbraw/zinc/95/57/74/1123955774.db2.gz IGRZQFFERPBBPV-MJGOQNOKSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794807843 1123956684 /nfs/dbraw/zinc/95/66/84/1123956684.db2.gz MBYBKNIVYVBEMV-PKOBYXMFSA-N 0 3 299.414 3.649 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794818363 1123960153 /nfs/dbraw/zinc/96/01/53/1123960153.db2.gz SFUXXTVCLZSCKF-IRXDYDNUSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(C)cc1[O-] ZINC000866401595 1124062765 /nfs/dbraw/zinc/06/27/65/1124062765.db2.gz BEDWOIYKYSKALX-HIFRSBDPSA-N 0 3 279.449 3.885 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2c(C)cc(C)cc2O)o1 ZINC000866478938 1124069711 /nfs/dbraw/zinc/06/97/11/1124069711.db2.gz OGBNWAKFPZWBOJ-CYBMUJFWSA-N 0 3 259.349 3.761 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000866511185 1124076700 /nfs/dbraw/zinc/07/67/00/1124076700.db2.gz BHJJYLGSFSQFAR-YEWWUXTCSA-N 0 3 289.419 3.556 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000872133523 1124692768 /nfs/dbraw/zinc/69/27/68/1124692768.db2.gz QOEUUTXYIRUSSI-JENIJYKNSA-N 0 3 299.414 3.945 20 10 CHCDHN CC[C@H](N[C@H](C)c1nccnc1C)c1ccc(C)cc1O ZINC000872135106 1124693520 /nfs/dbraw/zinc/69/35/20/1124693520.db2.gz VFTHQEHJUVCDNG-HIFRSBDPSA-N 0 3 285.391 3.601 20 10 CHCDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876756916 1124975224 /nfs/dbraw/zinc/97/52/24/1124975224.db2.gz ACFQWHDDIGNISW-OAHLLOKOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876756916 1124975226 /nfs/dbraw/zinc/97/52/26/1124975226.db2.gz ACFQWHDDIGNISW-OAHLLOKOSA-N 0 3 297.398 3.699 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2ccccc2COC(C)C)c([O-])c1 ZINC000876913599 1124989948 /nfs/dbraw/zinc/98/99/48/1124989948.db2.gz RUODTRAIJIJCLE-UHFFFAOYSA-N 0 3 299.414 3.915 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC000876973888 1124992769 /nfs/dbraw/zinc/99/27/69/1124992769.db2.gz RLISKVVHQVEVJP-INIZCTEOSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C)cc1[O-] ZINC000876973327 1124993718 /nfs/dbraw/zinc/99/37/18/1124993718.db2.gz DMGJVWDPWVEMRF-QGZVFWFLSA-N 0 3 267.372 3.786 20 10 CHCDHN COc1ccc(Cl)cc1CNCc1ccc(C)cc1O ZINC000876982597 1124994601 /nfs/dbraw/zinc/99/46/01/1124994601.db2.gz COOYLWAHTLNGGX-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN Cc1ccc(C[NH2+]C2(c3ccccc3)CCC2)c([O-])c1 ZINC000876991369 1124994903 /nfs/dbraw/zinc/99/49/03/1124994903.db2.gz MJMAUIZIYYMFQR-UHFFFAOYSA-N 0 3 267.372 3.870 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2C)c([O-])c1 ZINC000877008571 1124996130 /nfs/dbraw/zinc/99/61/30/1124996130.db2.gz NCKFWNWPURTFFI-FZKQIMNGSA-N 0 3 267.372 3.724 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)c([O-])c1 ZINC000877038524 1124999518 /nfs/dbraw/zinc/99/95/18/1124999518.db2.gz RFFNLOMFAPCNCZ-NVXWUHKLSA-N 0 3 291.435 3.632 20 10 CHCDHN Cc1csc([C@@H](NCc2ccc(C)cc2O)C2CC2)n1 ZINC000877066820 1125005761 /nfs/dbraw/zinc/00/57/61/1125005761.db2.gz UXTWUETVRORQFA-HNNXBMFYSA-N 0 3 288.416 3.706 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(c3ccc(C)nc3)CC2)c([O-])c1 ZINC000877197263 1125018836 /nfs/dbraw/zinc/01/88/36/1125018836.db2.gz QUXIUQJKBDUGHI-UHFFFAOYSA-N 0 3 296.414 3.784 20 10 CHCDHN Cc1ccc(C[NH2+]CC2CCC(F)(F)CC2)c([O-])c1 ZINC000877501973 1125035849 /nfs/dbraw/zinc/03/58/49/1125035849.db2.gz XKCQXZYCGHATOP-UHFFFAOYSA-N 0 3 269.335 3.616 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000877498855 1125037327 /nfs/dbraw/zinc/03/73/27/1125037327.db2.gz VTHGKWCNIUJVCC-LBPRGKRZSA-N 0 3 269.335 3.616 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)c([O-])c1 ZINC000877644147 1125058598 /nfs/dbraw/zinc/05/85/98/1125058598.db2.gz RGWAHBUGJVUKDA-CQSZACIVSA-N 0 3 297.398 3.876 20 10 CHCDHN CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877655847 1125059518 /nfs/dbraw/zinc/05/95/18/1125059518.db2.gz MWEOHQARIBEPLF-UHFFFAOYSA-N 0 3 271.351 3.862 20 10 CHCDHN COc1ccc(O)c(CNCc2ccc(C(C)(C)C)o2)c1 ZINC000877735025 1125069409 /nfs/dbraw/zinc/06/94/09/1125069409.db2.gz NAORINRQTDWTKS-UHFFFAOYSA-N 0 3 289.375 3.581 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccccc1[O-] ZINC000877756302 1125072922 /nfs/dbraw/zinc/07/29/22/1125072922.db2.gz FVUMZJUGBLGABQ-CYBMUJFWSA-N 0 3 297.398 3.957 20 10 CHCDHN CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758321 1125074602 /nfs/dbraw/zinc/07/46/02/1125074602.db2.gz SVSVRXSGVQCLMY-KQHSUYLTSA-N 0 3 299.351 3.766 20 10 CHCDHN C[C@@H]([NH2+]Cc1cncc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000879649012 1125222907 /nfs/dbraw/zinc/22/29/07/1125222907.db2.gz HIUCRHTXFRVGPL-SNVBAGLBSA-N 0 3 296.292 3.657 20 10 CHCDHN COc1ccc(Cl)c(CN[C@H](C)c2ccccc2O)c1 ZINC000879649490 1125223053 /nfs/dbraw/zinc/22/30/53/1125223053.db2.gz UWFFZJOFDBLRJN-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(Cl)c(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879649490 1125223058 /nfs/dbraw/zinc/22/30/58/1125223058.db2.gz UWFFZJOFDBLRJN-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COCC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879650551 1125223966 /nfs/dbraw/zinc/22/39/66/1125223966.db2.gz GYXBGOUWGRBJGA-YOEHRIQHSA-N 0 3 285.387 3.821 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000131579802 1125398580 /nfs/dbraw/zinc/39/85/80/1125398580.db2.gz MLUMHDVBAMGOSR-INIZCTEOSA-N 0 3 253.345 3.729 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000131579802 1125398583 /nfs/dbraw/zinc/39/85/83/1125398583.db2.gz MLUMHDVBAMGOSR-INIZCTEOSA-N 0 3 253.345 3.729 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccccc1[O-] ZINC000897445109 1125417338 /nfs/dbraw/zinc/41/73/38/1125417338.db2.gz BEHSQIBGYLZPBJ-INIZCTEOSA-N 0 3 291.435 3.886 20 10 CHCDHN CCOc1cccc(C[N@H+](C)C2CCCCCC2)c1[O-] ZINC000132360522 1125417375 /nfs/dbraw/zinc/41/73/75/1125417375.db2.gz QDSIXEAJJDMBME-UHFFFAOYSA-N 0 3 277.408 3.946 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)C2CCCCCC2)c1[O-] ZINC000132360522 1125417376 /nfs/dbraw/zinc/41/73/76/1125417376.db2.gz QDSIXEAJJDMBME-UHFFFAOYSA-N 0 3 277.408 3.946 20 10 CHCDHN Cc1ccccc1[C@H]1CN(Cc2ccccc2O)[C@@H](C)CO1 ZINC000245636842 1129214308 /nfs/dbraw/zinc/21/43/08/1129214308.db2.gz XGLFVBJYTAXYJL-HNAYVOBHSA-N 0 3 297.398 3.663 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1c[nH]c3ccccc13)CC2 ZINC000296113836 1129220386 /nfs/dbraw/zinc/22/03/86/1129220386.db2.gz UXOVSCUUPDOWIT-KRWDZBQOSA-N 0 3 292.382 3.693 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccccc1[O-] ZINC000296443373 1129222402 /nfs/dbraw/zinc/22/24/02/1129222402.db2.gz ZQTLIROAQIFPBA-NEPJUHHUSA-N 0 3 269.335 3.868 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1F ZINC000184910211 1129261728 /nfs/dbraw/zinc/26/17/28/1129261728.db2.gz OHXRRJNHLYPWAZ-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037778492 1129268545 /nfs/dbraw/zinc/26/85/45/1129268545.db2.gz GZXMEGGQOASMSX-KGLIPLIRSA-N 0 3 285.387 3.683 20 10 CHCDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)Cc2ccccc2O1 ZINC000795428723 1129273953 /nfs/dbraw/zinc/27/39/53/1129273953.db2.gz BAEXMVXAMQLEQK-HNNXBMFYSA-N 0 3 296.414 3.536 20 10 CHCDHN CCOc1ccc(C[NH2+]C2CCC3(CC3)CC2)c([O-])c1 ZINC000766213543 1129343813 /nfs/dbraw/zinc/34/38/13/1129343813.db2.gz QKTXRPRREAUEJR-UHFFFAOYSA-N 0 3 275.392 3.603 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000248390932 1129416735 /nfs/dbraw/zinc/41/67/35/1129416735.db2.gz UKWFVBPAEDYNPA-LXZKKBNFSA-N 0 3 267.372 3.847 20 10 CHCDHN CC[C@@H](C)[C@@H](C)[N@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000093132209 1129417935 /nfs/dbraw/zinc/41/79/35/1129417935.db2.gz DDCVSRMFIRZMLL-CHWSQXEVSA-N 0 3 277.408 3.800 20 10 CHCDHN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000093132209 1129417938 /nfs/dbraw/zinc/41/79/38/1129417938.db2.gz DDCVSRMFIRZMLL-CHWSQXEVSA-N 0 3 277.408 3.800 20 10 CHCDHN Cc1cccc(OCC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617942 1129448235 /nfs/dbraw/zinc/44/82/35/1129448235.db2.gz OZUCFAGGXAWLJI-CYBMUJFWSA-N 0 3 289.350 3.569 20 10 CHCDHN CCc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618343 1129448268 /nfs/dbraw/zinc/44/82/68/1129448268.db2.gz ANNOSXGUAUVZOT-LBPRGKRZSA-N 0 3 273.351 3.945 20 10 CHCDHN C[C@H]([NH2+]CCc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000094617111 1129448345 /nfs/dbraw/zinc/44/83/45/1129448345.db2.gz KRLUPSWTXCVDKF-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN CCCCC[C@H](CCC)[NH2+]Cc1ccc(O)cc1[O-] ZINC001258664164 1129472756 /nfs/dbraw/zinc/47/27/56/1129472756.db2.gz GRRKZXMLBICOKG-AWEZNQCLSA-N 0 3 265.397 3.936 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c1[O-] ZINC000253093278 1129609900 /nfs/dbraw/zinc/60/99/00/1129609900.db2.gz IFLUVVTVPFGWLX-MGPQQGTHSA-N 0 3 277.408 3.657 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c1[O-] ZINC000253093278 1129609902 /nfs/dbraw/zinc/60/99/02/1129609902.db2.gz IFLUVVTVPFGWLX-MGPQQGTHSA-N 0 3 277.408 3.657 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2ccccc2C)c([O-])c1 ZINC000768161311 1129838224 /nfs/dbraw/zinc/83/82/24/1129838224.db2.gz XGNIGJNVHLPNOA-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccccc2C)c([O-])c1 ZINC000768161311 1129838228 /nfs/dbraw/zinc/83/82/28/1129838228.db2.gz XGNIGJNVHLPNOA-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000768232465 1129845370 /nfs/dbraw/zinc/84/53/70/1129845370.db2.gz AMGGDEHACNLNCO-UHFFFAOYSA-N 0 3 297.398 3.780 20 10 CHCDHN C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C)CO1 ZINC000768536269 1129861243 /nfs/dbraw/zinc/86/12/43/1129861243.db2.gz GXYXNOKJJIAITC-HUUCEWRRSA-N 0 3 297.398 3.668 20 10 CHCDHN CC(C)COCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000800345142 1129866748 /nfs/dbraw/zinc/86/67/48/1129866748.db2.gz MSVLRKUTAMEROR-UHFFFAOYSA-N 0 3 291.435 3.809 20 10 CHCDHN CC(C)COCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000800345142 1129866752 /nfs/dbraw/zinc/86/67/52/1129866752.db2.gz MSVLRKUTAMEROR-UHFFFAOYSA-N 0 3 291.435 3.809 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC000769102525 1129889548 /nfs/dbraw/zinc/88/95/48/1129889548.db2.gz OLAOKXHOLFKVDL-CZUORRHYSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC000769102525 1129889552 /nfs/dbraw/zinc/88/95/52/1129889552.db2.gz OLAOKXHOLFKVDL-CZUORRHYSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccsc2)c([O-])c1 ZINC000800889634 1129897003 /nfs/dbraw/zinc/89/70/03/1129897003.db2.gz RTHFNXZMQIVZLX-NSHDSACASA-N 0 3 277.389 3.703 20 10 CHCDHN Cc1ccc(CN(C)Cc2ccc(N(C)C)c(F)c2)s1 ZINC000769316623 1129901701 /nfs/dbraw/zinc/90/17/01/1129901701.db2.gz LMWKPKWJCXQPPB-UHFFFAOYSA-N 0 3 292.423 3.894 20 10 CHCDHN CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000769487071 1129909593 /nfs/dbraw/zinc/90/95/93/1129909593.db2.gz HELYITFFVDCLHM-KRWDZBQOSA-N 0 3 299.414 3.854 20 10 CHCDHN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000769487071 1129909596 /nfs/dbraw/zinc/90/95/96/1129909596.db2.gz HELYITFFVDCLHM-KRWDZBQOSA-N 0 3 299.414 3.854 20 10 CHCDHN COc1cccc(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000769502828 1129914223 /nfs/dbraw/zinc/91/42/23/1129914223.db2.gz ALNNGHYZUMBUGU-LJQANCHMSA-N 0 3 297.398 3.564 20 10 CHCDHN COc1cccc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000769502828 1129914225 /nfs/dbraw/zinc/91/42/25/1129914225.db2.gz ALNNGHYZUMBUGU-LJQANCHMSA-N 0 3 297.398 3.564 20 10 CHCDHN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000769549022 1129917146 /nfs/dbraw/zinc/91/71/46/1129917146.db2.gz JUWGXIWUTIPHAI-CHWSQXEVSA-N 0 3 295.448 3.507 20 10 CHCDHN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000769549022 1129917149 /nfs/dbraw/zinc/91/71/49/1129917149.db2.gz JUWGXIWUTIPHAI-CHWSQXEVSA-N 0 3 295.448 3.507 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000770383848 1129945148 /nfs/dbraw/zinc/94/51/48/1129945148.db2.gz KYXRMYQEORWRPI-UHFFFAOYSA-N 0 3 275.392 3.579 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000770383848 1129945149 /nfs/dbraw/zinc/94/51/49/1129945149.db2.gz KYXRMYQEORWRPI-UHFFFAOYSA-N 0 3 275.392 3.579 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@H](SC)C2)c([O-])c1 ZINC000770351669 1129946072 /nfs/dbraw/zinc/94/60/72/1129946072.db2.gz UDOVJFVDOLEOQC-HNNXBMFYSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC[C@H](SC)C2)c([O-])c1 ZINC000770351669 1129946075 /nfs/dbraw/zinc/94/60/75/1129946075.db2.gz UDOVJFVDOLEOQC-HNNXBMFYSA-N 0 3 295.448 3.508 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000770509099 1129947972 /nfs/dbraw/zinc/94/79/72/1129947972.db2.gz HXZPMWBCUKVVGO-SFHVURJKSA-N 0 3 281.399 3.989 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000770509099 1129947976 /nfs/dbraw/zinc/94/79/76/1129947976.db2.gz HXZPMWBCUKVVGO-SFHVURJKSA-N 0 3 281.399 3.989 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H]2CCCC[C@H]12 ZINC000770510088 1129948026 /nfs/dbraw/zinc/94/80/26/1129948026.db2.gz XHJMBYSYLJYJDF-FVQBIDKESA-N 0 3 259.393 3.793 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H]2CCCC[C@H]12 ZINC000770510088 1129948030 /nfs/dbraw/zinc/94/80/30/1129948030.db2.gz XHJMBYSYLJYJDF-FVQBIDKESA-N 0 3 259.393 3.793 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000770510120 1129948312 /nfs/dbraw/zinc/94/83/12/1129948312.db2.gz JVGSGRWSVPCAEM-UHFFFAOYSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000770510120 1129948313 /nfs/dbraw/zinc/94/83/13/1129948313.db2.gz JVGSGRWSVPCAEM-UHFFFAOYSA-N 0 3 285.362 3.738 20 10 CHCDHN C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@H](C)O1 ZINC000772599695 1130033920 /nfs/dbraw/zinc/03/39/20/1130033920.db2.gz MIBOMQBSMARCJV-GASCZTMLSA-N 0 3 297.398 3.668 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000903266362 1130140310 /nfs/dbraw/zinc/14/03/10/1130140310.db2.gz XAVNXEZXDKQOSR-PMPSAXMXSA-N 0 3 291.435 3.601 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)c([O-])c1 ZINC000903322183 1130154587 /nfs/dbraw/zinc/15/45/87/1130154587.db2.gz AHXHSVZUQQWKRD-VNSJNIRKSA-N 0 3 289.419 3.699 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c([O-])c1 ZINC000788611368 1130195624 /nfs/dbraw/zinc/19/56/24/1130195624.db2.gz NAPGUYPMMZKJDE-HOTGVXAUSA-N 0 3 293.451 3.704 20 10 CHCDHN CCOc1ccc(O)c(CN2CCc3cc(C)ccc3C2)c1 ZINC000792178291 1130436275 /nfs/dbraw/zinc/43/62/75/1130436275.db2.gz AWYBMUMGLLEYMF-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccc(Cl)cc2C)c([O-])c1 ZINC000793387614 1130551841 /nfs/dbraw/zinc/55/18/41/1130551841.db2.gz IMUDWPUFKSIMBU-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN CC1(C2CC2)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000811514460 1130618842 /nfs/dbraw/zinc/61/88/42/1130618842.db2.gz LDAMUZGGKRFEIO-UHFFFAOYSA-N 0 3 263.356 3.543 20 10 CHCDHN CN(C)c1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1F ZINC000811513945 1130619601 /nfs/dbraw/zinc/61/96/01/1130619601.db2.gz XBRBPADNGWLPCC-QGZVFWFLSA-N 0 3 288.410 3.656 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C3CC(C)C3)c2c1 ZINC001234525864 1130654119 /nfs/dbraw/zinc/65/41/19/1130654119.db2.gz LYFCXBJTBWONLV-UHFFFAOYSA-N 0 3 285.387 3.784 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C3CC(C)C3)c2c1 ZINC001234525864 1130654123 /nfs/dbraw/zinc/65/41/23/1130654123.db2.gz LYFCXBJTBWONLV-UHFFFAOYSA-N 0 3 285.387 3.784 20 10 CHCDHN CCc1cccnc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000780724438 1130688965 /nfs/dbraw/zinc/68/89/65/1130688965.db2.gz KVVWVVRXJZFOGI-HNNXBMFYSA-N 0 3 297.446 3.869 20 10 CHCDHN C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000780792597 1130693056 /nfs/dbraw/zinc/69/30/56/1130693056.db2.gz HPAIRVOVCTYCRM-ONGXEEELSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000780792597 1130693060 /nfs/dbraw/zinc/69/30/60/1130693060.db2.gz HPAIRVOVCTYCRM-ONGXEEELSA-N 0 3 291.288 3.694 20 10 CHCDHN C[N@H+](Cc1cccc(-c2ccccc2)c1[O-])C1CC1 ZINC001234991129 1130700179 /nfs/dbraw/zinc/70/01/79/1130700179.db2.gz KICBGWQHZBBTRI-UHFFFAOYSA-N 0 3 253.345 3.653 20 10 CHCDHN C[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])C1CC1 ZINC001234991129 1130700185 /nfs/dbraw/zinc/70/01/85/1130700185.db2.gz KICBGWQHZBBTRI-UHFFFAOYSA-N 0 3 253.345 3.653 20 10 CHCDHN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cccc1-c1ccccc1 ZINC001234999031 1130700917 /nfs/dbraw/zinc/70/09/17/1130700917.db2.gz QHIRNIACFODUBL-BQFCYCMXSA-N 0 3 297.373 3.992 20 10 CHCDHN [O-]c1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cccc1-c1ccccc1 ZINC001234999031 1130700921 /nfs/dbraw/zinc/70/09/21/1130700921.db2.gz QHIRNIACFODUBL-BQFCYCMXSA-N 0 3 297.373 3.992 20 10 CHCDHN C=Cc1ccc(CC[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000812773490 1130712702 /nfs/dbraw/zinc/71/27/02/1130712702.db2.gz YIMYBNLXBXNNCM-UHFFFAOYSA-N 0 3 271.335 3.507 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCCF ZINC000812773672 1130712914 /nfs/dbraw/zinc/71/29/14/1130712914.db2.gz LXGCVIOUURJWMS-UHFFFAOYSA-N 0 3 273.351 3.899 20 10 CHCDHN CC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H](C)OC ZINC000812806950 1130720222 /nfs/dbraw/zinc/72/02/22/1130720222.db2.gz AQUGKQWQHLQWJA-HNNXBMFYSA-N 0 3 299.414 3.916 20 10 CHCDHN CC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H](C)OC ZINC000812806950 1130720228 /nfs/dbraw/zinc/72/02/28/1130720228.db2.gz AQUGKQWQHLQWJA-HNNXBMFYSA-N 0 3 299.414 3.916 20 10 CHCDHN C[N@H+](Cc1cc2cccc(F)c2[nH]1)Cc1ccccc1[O-] ZINC001235249657 1130726762 /nfs/dbraw/zinc/72/67/62/1130726762.db2.gz TYEQKMIGRMSXSK-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN C[N@@H+](Cc1cc2cccc(F)c2[nH]1)Cc1ccccc1[O-] ZINC001235249657 1130726768 /nfs/dbraw/zinc/72/67/68/1130726768.db2.gz TYEQKMIGRMSXSK-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN COCC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235673878 1130765581 /nfs/dbraw/zinc/76/55/81/1130765581.db2.gz AUMAMNXQTZLPMZ-UHFFFAOYSA-N 0 3 291.435 3.548 20 10 CHCDHN CC(C)c1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000782539842 1130782791 /nfs/dbraw/zinc/78/27/91/1130782791.db2.gz PADJQNZAEPQYFM-UHFFFAOYSA-N 0 3 255.361 3.805 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000813782099 1130783478 /nfs/dbraw/zinc/78/34/78/1130783478.db2.gz MNHNOWSSVCKSNO-LBPRGKRZSA-N 0 3 299.361 3.706 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)c2c1c(F)ccc2[O-] ZINC000813872901 1130793936 /nfs/dbraw/zinc/79/39/36/1130793936.db2.gz LGMJKBWICQVYMX-KWQFWETISA-N 0 3 285.309 3.715 20 10 CHCDHN C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783505772 1130831735 /nfs/dbraw/zinc/83/17/35/1130831735.db2.gz QCMGONMUGBOLIF-KGLIPLIRSA-N 0 3 271.360 3.510 20 10 CHCDHN CCC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccn1 ZINC000783510420 1130832163 /nfs/dbraw/zinc/83/21/63/1130832163.db2.gz YYVONCVCWBBXCI-XJKSGUPXSA-N 0 3 270.376 3.979 20 10 CHCDHN Cc1ccsc1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000783524764 1130834319 /nfs/dbraw/zinc/83/43/19/1130834319.db2.gz AKFJGZGQZJQHCS-GFCCVEGCSA-N 0 3 261.390 3.655 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000783520316 1130834532 /nfs/dbraw/zinc/83/45/32/1130834532.db2.gz XKDFXMQBAVCGLE-BBRMVZONSA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)[C@H]2C)cc1C(C)C ZINC000783546680 1130836853 /nfs/dbraw/zinc/83/68/53/1130836853.db2.gz SLLSXRTVRJWXLG-RRFJBIMHSA-N 0 3 291.435 3.822 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000783701299 1130849322 /nfs/dbraw/zinc/84/93/22/1130849322.db2.gz OMHQPVPSXSRASK-UHFFFAOYSA-N 0 3 297.398 3.564 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000783701299 1130849330 /nfs/dbraw/zinc/84/93/30/1130849330.db2.gz OMHQPVPSXSRASK-UHFFFAOYSA-N 0 3 297.398 3.564 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1cccc3ccoc31)CC2 ZINC001236734318 1131001618 /nfs/dbraw/zinc/00/16/18/1131001618.db2.gz BSDVNZWSGBERQX-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1cccc3ccoc31)CC2 ZINC001236734318 1131001624 /nfs/dbraw/zinc/00/16/24/1131001624.db2.gz BSDVNZWSGBERQX-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c([O-])c1 ZINC000815576079 1131001758 /nfs/dbraw/zinc/00/17/58/1131001758.db2.gz IVFVTHOSSCDDLC-ZBFHGGJFSA-N 0 3 281.399 4.000 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC001236786479 1131007645 /nfs/dbraw/zinc/00/76/45/1131007645.db2.gz PKRPRRZZAJEXSX-CABCVRRESA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC001236786479 1131007651 /nfs/dbraw/zinc/00/76/51/1131007651.db2.gz PKRPRRZZAJEXSX-CABCVRRESA-N 0 3 259.393 3.577 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001236825707 1131015546 /nfs/dbraw/zinc/01/55/46/1131015546.db2.gz CRTBWMKXSKTFCU-MRXNPFEDSA-N 0 3 273.351 3.869 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001236825707 1131015550 /nfs/dbraw/zinc/01/55/50/1131015550.db2.gz CRTBWMKXSKTFCU-MRXNPFEDSA-N 0 3 273.351 3.869 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001236826033 1131017433 /nfs/dbraw/zinc/01/74/33/1131017433.db2.gz FJZINTRVFOMQLP-IBGZPJMESA-N 0 3 297.398 3.690 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001236826033 1131017439 /nfs/dbraw/zinc/01/74/39/1131017439.db2.gz FJZINTRVFOMQLP-IBGZPJMESA-N 0 3 297.398 3.690 20 10 CHCDHN COC[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236825645 1131017493 /nfs/dbraw/zinc/01/74/93/1131017493.db2.gz ATLJLOQLCSTXGC-QGZVFWFLSA-N 0 3 285.387 3.546 20 10 CHCDHN COC[C@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236825645 1131017500 /nfs/dbraw/zinc/01/75/00/1131017500.db2.gz ATLJLOQLCSTXGC-QGZVFWFLSA-N 0 3 285.387 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001236839581 1131021646 /nfs/dbraw/zinc/02/16/46/1131021646.db2.gz GUCORMAUGMMUAT-ZDUSSCGKSA-N 0 3 273.351 3.727 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001236839581 1131021652 /nfs/dbraw/zinc/02/16/52/1131021652.db2.gz GUCORMAUGMMUAT-ZDUSSCGKSA-N 0 3 273.351 3.727 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000798085875 1131024315 /nfs/dbraw/zinc/02/43/15/1131024315.db2.gz DRWBCUQIJVTFBB-YGUOUDRMSA-N 0 3 289.325 3.706 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CCC3(CCCO3)CC2)c([O-])c1 ZINC001237049958 1131040303 /nfs/dbraw/zinc/04/03/03/1131040303.db2.gz VASCFTIXRJMQHR-UHFFFAOYSA-N 0 3 289.419 3.661 20 10 CHCDHN CC(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001237045798 1131040706 /nfs/dbraw/zinc/04/07/06/1131040706.db2.gz KXLYKEPEYOKJFL-GJZGRUSLSA-N 0 3 259.393 3.748 20 10 CHCDHN CCO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237053487 1131042073 /nfs/dbraw/zinc/04/20/73/1131042073.db2.gz LNRWPFILABCGPR-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN CCO[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237053487 1131042077 /nfs/dbraw/zinc/04/20/77/1131042077.db2.gz LNRWPFILABCGPR-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN C[C@@H]1CCCCN1Cc1c(O)cccc1OC(F)(F)F ZINC001237114975 1131053815 /nfs/dbraw/zinc/05/38/15/1131053815.db2.gz QLWIDNMGLVDLFL-SNVBAGLBSA-N 0 3 289.297 3.665 20 10 CHCDHN C[N@H+](CCC1CC1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237141780 1131057923 /nfs/dbraw/zinc/05/79/23/1131057923.db2.gz CDIMBIMTWKLFHT-UHFFFAOYSA-N 0 3 273.298 3.643 20 10 CHCDHN C[N@@H+](CCC1CC1)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237141780 1131057929 /nfs/dbraw/zinc/05/79/29/1131057929.db2.gz CDIMBIMTWKLFHT-UHFFFAOYSA-N 0 3 273.298 3.643 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000816493169 1131100493 /nfs/dbraw/zinc/10/04/93/1131100493.db2.gz RQRKYZACMWMEJW-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000816493169 1131100496 /nfs/dbraw/zinc/10/04/96/1131100496.db2.gz RQRKYZACMWMEJW-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN C[N@H+](Cc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816568301 1131112427 /nfs/dbraw/zinc/11/24/27/1131112427.db2.gz CIZBGZCWPJCTEA-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816568301 1131112431 /nfs/dbraw/zinc/11/24/31/1131112431.db2.gz CIZBGZCWPJCTEA-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+](C)C(C)(C)C)cc1Br ZINC001237679816 1131127061 /nfs/dbraw/zinc/12/70/61/1131127061.db2.gz VBGQLRWMVKTNCT-UHFFFAOYSA-N 0 3 286.213 3.693 20 10 CHCDHN Cc1cc([O-])c(C[N@H+](C)C(C)(C)C)cc1Br ZINC001237679816 1131127064 /nfs/dbraw/zinc/12/70/64/1131127064.db2.gz VBGQLRWMVKTNCT-UHFFFAOYSA-N 0 3 286.213 3.693 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]1C ZINC000816648271 1131119646 /nfs/dbraw/zinc/11/96/46/1131119646.db2.gz HZDLMLRHTGBFIL-HUUCEWRRSA-N 0 3 297.398 3.811 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@@H]1C ZINC000816648271 1131119651 /nfs/dbraw/zinc/11/96/51/1131119651.db2.gz HZDLMLRHTGBFIL-HUUCEWRRSA-N 0 3 297.398 3.811 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001237677578 1131126968 /nfs/dbraw/zinc/12/69/68/1131126968.db2.gz OMIYNLWXIOTDII-SNVBAGLBSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001237677578 1131126970 /nfs/dbraw/zinc/12/69/70/1131126970.db2.gz OMIYNLWXIOTDII-SNVBAGLBSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)CC2CCCC2)c1[O-] ZINC001237685060 1131127284 /nfs/dbraw/zinc/12/72/84/1131127284.db2.gz CYXIZVHTYMZJOB-UHFFFAOYSA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CC2CCCC2)c1[O-] ZINC001237685060 1131127287 /nfs/dbraw/zinc/12/72/87/1131127287.db2.gz CYXIZVHTYMZJOB-UHFFFAOYSA-N 0 3 267.800 3.976 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817412568 1131159954 /nfs/dbraw/zinc/15/99/54/1131159954.db2.gz MTFNBGUNXVSTKJ-NSHDSACASA-N 0 3 273.298 3.557 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817412568 1131159956 /nfs/dbraw/zinc/15/99/56/1131159956.db2.gz MTFNBGUNXVSTKJ-NSHDSACASA-N 0 3 273.298 3.557 20 10 CHCDHN Cc1cc(F)cc(CN2CCC[C@@H]2c2cccnc2)c1O ZINC001238058813 1131164790 /nfs/dbraw/zinc/16/47/90/1131164790.db2.gz WKJJRZYLNVCXLT-MRXNPFEDSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1[O-] ZINC001238066667 1131166906 /nfs/dbraw/zinc/16/69/06/1131166906.db2.gz IPLUKUFCBVFJBP-OKILXGFUSA-N 0 3 297.373 3.926 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1[O-] ZINC001238066667 1131166910 /nfs/dbraw/zinc/16/69/10/1131166910.db2.gz IPLUKUFCBVFJBP-OKILXGFUSA-N 0 3 297.373 3.926 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cc(C)nc(C)c2)c([O-])c1 ZINC000817590423 1131175346 /nfs/dbraw/zinc/17/53/46/1131175346.db2.gz WTFMJETYYDHUGF-AWEZNQCLSA-N 0 3 270.376 3.563 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccccc1[O-] ZINC000817967011 1131194210 /nfs/dbraw/zinc/19/42/10/1131194210.db2.gz CGMFKKMTGLBWLD-PXAZEXFGSA-N 0 3 282.387 3.703 20 10 CHCDHN CC[N@H+](Cc1ccc2ncccc2c1)Cc1ccccc1[O-] ZINC001138112634 1131467043 /nfs/dbraw/zinc/46/70/43/1131467043.db2.gz VCYCWMOAMCRBLI-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccc2ncccc2c1)Cc1ccccc1[O-] ZINC001138112634 1131467045 /nfs/dbraw/zinc/46/70/45/1131467045.db2.gz VCYCWMOAMCRBLI-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN Cc1c(CN2CC3(C2)CC(F)(F)C3)c2ccccc2n1C ZINC001138252707 1131482023 /nfs/dbraw/zinc/48/20/23/1131482023.db2.gz RLJXFBAPHBTROO-UHFFFAOYSA-N 0 3 290.357 3.718 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C(C)C)C1)c1ccccc1[O-] ZINC000824798826 1131485089 /nfs/dbraw/zinc/48/50/89/1131485089.db2.gz GRYVLRAUADSDTG-QILLFSRXSA-N 0 3 291.435 3.884 20 10 CHCDHN Cc1ccc2c(C[N@@H+]3CCc4cccc([O-])c4C3)c[nH]c2c1 ZINC001136975555 1131491099 /nfs/dbraw/zinc/49/10/99/1131491099.db2.gz LYRPRDJFDQXZAQ-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN Cc1ccc2c(C[N@H+]3CCc4cccc([O-])c4C3)c[nH]c2c1 ZINC001136975555 1131491102 /nfs/dbraw/zinc/49/11/02/1131491102.db2.gz LYRPRDJFDQXZAQ-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CC(c2ccc(Cl)cc2)C1 ZINC000824988176 1131493888 /nfs/dbraw/zinc/49/38/88/1131493888.db2.gz HYHDDQBERQNCGZ-UHFFFAOYSA-N 0 3 273.763 3.645 20 10 CHCDHN CC[C@@H]([NH2+]CC1(COC)CCCC1)c1ccccc1[O-] ZINC000825244892 1131504683 /nfs/dbraw/zinc/50/46/83/1131504683.db2.gz AJPKZAITVVNANS-OAHLLOKOSA-N 0 3 277.408 3.640 20 10 CHCDHN CCCOc1ccccc1CN(C)Cc1ccccc1O ZINC001138999118 1131570031 /nfs/dbraw/zinc/57/00/31/1131570031.db2.gz WXSUVZYCSJIHPU-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844756318 1131595853 /nfs/dbraw/zinc/59/58/53/1131595853.db2.gz ABFDUQNQGXCRCP-INIZCTEOSA-N 0 3 289.325 3.777 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844756318 1131595857 /nfs/dbraw/zinc/59/58/57/1131595857.db2.gz ABFDUQNQGXCRCP-INIZCTEOSA-N 0 3 289.325 3.777 20 10 CHCDHN CC[N@H+](Cc1cc2ccccc2n1C)Cc1ccccc1[O-] ZINC001139872136 1131644523 /nfs/dbraw/zinc/64/45/23/1131644523.db2.gz GUJGVEONFZVERF-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN CC[N@@H+](Cc1cc2ccccc2n1C)Cc1ccccc1[O-] ZINC001139872136 1131644525 /nfs/dbraw/zinc/64/45/25/1131644525.db2.gz GUJGVEONFZVERF-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN Oc1ccc(F)cc1CN1CCCC[C@H]1c1cccnc1 ZINC001140055515 1131660023 /nfs/dbraw/zinc/66/00/23/1131660023.db2.gz JAXIAIKFNYIOCO-INIZCTEOSA-N 0 3 286.350 3.654 20 10 CHCDHN Cc1ccc(C)c(CN2CCCC(F)(F)[C@H](F)C2)c1O ZINC001140178642 1131673591 /nfs/dbraw/zinc/67/35/91/1131673591.db2.gz RZICUHXCAKRQGA-CYBMUJFWSA-N 0 3 287.325 3.578 20 10 CHCDHN C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834522363 1131681056 /nfs/dbraw/zinc/68/10/56/1131681056.db2.gz AOKDFOJHLCEYBX-UNEWFSDZSA-N 0 3 289.419 3.564 20 10 CHCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000834537488 1131681710 /nfs/dbraw/zinc/68/17/10/1131681710.db2.gz DQLRHDPYAOAKRL-WBMJQRKESA-N 0 3 285.362 3.912 20 10 CHCDHN COc1cccc([C@H](C)NCc2c(C)cccc2F)c1O ZINC000846144213 1131694481 /nfs/dbraw/zinc/69/44/81/1131694481.db2.gz GKHDWUJZSOTOHR-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000846190336 1131698603 /nfs/dbraw/zinc/69/86/03/1131698603.db2.gz QNTGUZPIEKZJDY-YESZJQIVSA-N 0 3 279.383 3.834 20 10 CHCDHN Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000846192534 1131698991 /nfs/dbraw/zinc/69/89/91/1131698991.db2.gz YGTFTMALLNYEDX-RRQGHBQHSA-N 0 3 267.372 3.907 20 10 CHCDHN C[N@H+](Cc1ccc2scnc2c1)Cc1ccccc1[O-] ZINC001144743679 1131702683 /nfs/dbraw/zinc/70/26/83/1131702683.db2.gz VFXSPFCZCFXYHI-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN C[N@@H+](Cc1ccc2scnc2c1)Cc1ccccc1[O-] ZINC001144743679 1131702689 /nfs/dbraw/zinc/70/26/89/1131702689.db2.gz VFXSPFCZCFXYHI-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN Oc1cccc2c1CN(Cc1ccc3scnc3c1)CC2 ZINC001144743313 1131703191 /nfs/dbraw/zinc/70/31/91/1131703191.db2.gz IYPAZUNBJYNSBB-UHFFFAOYSA-N 0 3 296.395 3.560 20 10 CHCDHN CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834765451 1131703655 /nfs/dbraw/zinc/70/36/55/1131703655.db2.gz MJKRQBOTBZWNRI-MNOVXSKESA-N 0 3 273.298 3.700 20 10 CHCDHN C[C@@H]1CC(CC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000834794119 1131706859 /nfs/dbraw/zinc/70/68/59/1131706859.db2.gz ORLFOERHPUEFIF-IOASZLSFSA-N 0 3 289.419 3.563 20 10 CHCDHN CC[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(C)cc1[O-] ZINC000834818857 1131707463 /nfs/dbraw/zinc/70/74/63/1131707463.db2.gz QFHKTCWGXNJXCP-QGZVFWFLSA-N 0 3 291.435 3.948 20 10 CHCDHN Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834887222 1131719154 /nfs/dbraw/zinc/71/91/54/1131719154.db2.gz QCZGDBMUERYQBT-RISCZKNCSA-N 0 3 286.350 3.573 20 10 CHCDHN CCCc1ncc(CN[C@H](C)c2c(C)cc(C)cc2O)o1 ZINC000834898793 1131723241 /nfs/dbraw/zinc/72/32/41/1131723241.db2.gz GULPNMDZJGOJEP-CYBMUJFWSA-N 0 3 288.391 3.800 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000834909105 1131729945 /nfs/dbraw/zinc/72/99/45/1131729945.db2.gz JBPSHAPAQXDNIO-KBPBESRZSA-N 0 3 277.408 3.556 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000834908201 1131730248 /nfs/dbraw/zinc/73/02/48/1131730248.db2.gz BTUWYVZZPFIKEU-HUUCEWRRSA-N 0 3 291.435 3.865 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1coc3ccccc13)CC2 ZINC001140784961 1131915575 /nfs/dbraw/zinc/91/55/75/1131915575.db2.gz HBPULBPOYPTYFF-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1coc3ccccc13)CC2 ZINC001140784961 1131915579 /nfs/dbraw/zinc/91/55/79/1131915579.db2.gz HBPULBPOYPTYFF-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC001140950758 1131968912 /nfs/dbraw/zinc/96/89/12/1131968912.db2.gz GXYXMEMOSZYAOJ-UHFFFAOYSA-N 0 3 267.372 3.649 20 10 CHCDHN Cc1ccc(C[N@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC001140950758 1131968918 /nfs/dbraw/zinc/96/89/18/1131968918.db2.gz GXYXMEMOSZYAOJ-UHFFFAOYSA-N 0 3 267.372 3.649 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(Cc3ccncc3)CC2)c([O-])c1 ZINC001140957483 1131973926 /nfs/dbraw/zinc/97/39/26/1131973926.db2.gz ARWMZAWNJPIVNM-UHFFFAOYSA-N 0 3 296.414 3.550 20 10 CHCDHN C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccccc1[O-] ZINC000036937511 1131984376 /nfs/dbraw/zinc/98/43/76/1131984376.db2.gz KHAVOQQFSYPDEZ-GFCCVEGCSA-N 0 3 275.779 3.766 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1OC ZINC000036995043 1131987332 /nfs/dbraw/zinc/98/73/32/1131987332.db2.gz GFNOZOBEPQKFHF-HNNXBMFYSA-N 0 3 271.360 3.642 20 10 CHCDHN CC[C@H]1CN(Cc2ccc(N(C)CC)cc2)[C@@H](CC)CO1 ZINC001171778862 1132097486 /nfs/dbraw/zinc/09/74/86/1132097486.db2.gz QULLHEQMNXDWPE-WMZOPIPTSA-N 0 3 290.451 3.532 20 10 CHCDHN C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840771076 1132285131 /nfs/dbraw/zinc/28/51/31/1132285131.db2.gz AAKCBHWNTVXPJF-PBHICJAKSA-N 0 3 296.414 3.776 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)c1ccc(C)cc1[O-] ZINC000840807191 1132289592 /nfs/dbraw/zinc/28/95/92/1132289592.db2.gz RANLTACDSWUVBU-XIRDDKMYSA-N 0 3 289.419 3.699 20 10 CHCDHN CC1(C)C[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001231466757 1132295349 /nfs/dbraw/zinc/29/53/49/1132295349.db2.gz VFJLQQSWPAIYSJ-UHFFFAOYSA-N 0 3 297.398 3.813 20 10 CHCDHN CC1(C)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001231466757 1132295352 /nfs/dbraw/zinc/29/53/52/1132295352.db2.gz VFJLQQSWPAIYSJ-UHFFFAOYSA-N 0 3 297.398 3.813 20 10 CHCDHN CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000840859518 1132296100 /nfs/dbraw/zinc/29/61/00/1132296100.db2.gz MYFGNKCVMOHHKV-IGCXYCKISA-N 0 3 277.408 3.555 20 10 CHCDHN Cc1cc(F)c(CNCCc2ccc(N)cc2)c(Cl)c1 ZINC000841038693 1132322599 /nfs/dbraw/zinc/32/25/99/1132322599.db2.gz OIKOSJCQLRXRIJ-UHFFFAOYSA-N 0 3 292.785 3.702 20 10 CHCDHN CCCOC1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC001173090509 1132383661 /nfs/dbraw/zinc/38/36/61/1132383661.db2.gz VREDEQRCDWQMSL-WLYUNCDWSA-N 0 3 277.408 3.781 20 10 CHCDHN COCCCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000841894735 1132402184 /nfs/dbraw/zinc/40/21/84/1132402184.db2.gz SMHTYXYYMOOWNL-UHFFFAOYSA-N 0 3 299.414 3.918 20 10 CHCDHN COCCCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000841894735 1132402188 /nfs/dbraw/zinc/40/21/88/1132402188.db2.gz SMHTYXYYMOOWNL-UHFFFAOYSA-N 0 3 299.414 3.918 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC001233288004 1132596382 /nfs/dbraw/zinc/59/63/82/1132596382.db2.gz RARWCJXRHNXHJH-RYUDHWBXSA-N 0 3 295.810 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC001233288004 1132596388 /nfs/dbraw/zinc/59/63/88/1132596388.db2.gz RARWCJXRHNXHJH-RYUDHWBXSA-N 0 3 295.810 3.676 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(c2cccs2)CC1 ZINC001203555501 1133338834 /nfs/dbraw/zinc/33/88/34/1133338834.db2.gz BNTDMVUQVZJTRY-UHFFFAOYSA-N 0 3 273.401 3.833 20 10 CHCDHN CCOc1cccc(CN2CCCC[C@](C)(F)C2)c1O ZINC001203602405 1133344611 /nfs/dbraw/zinc/34/46/11/1133344611.db2.gz VCPPUKGPPZBRLZ-INIZCTEOSA-N 0 3 281.371 3.505 20 10 CHCDHN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccc(O)c1 ZINC001203860887 1133377348 /nfs/dbraw/zinc/37/73/48/1133377348.db2.gz VAMXUFVWPXIPOI-UHFFFAOYSA-N 0 3 296.414 3.624 20 10 CHCDHN CCN(CC)c1ccc(CN2C[C@@H](C)C[C@H]2CF)cc1 ZINC001203940638 1133386674 /nfs/dbraw/zinc/38/66/74/1133386674.db2.gz SHDNEKMQOZRJSW-YOEHRIQHSA-N 0 3 278.415 3.713 20 10 CHCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])c1 ZINC001204272314 1133427770 /nfs/dbraw/zinc/42/77/70/1133427770.db2.gz NGSMNSHBLITYOQ-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])c1 ZINC001204272314 1133427773 /nfs/dbraw/zinc/42/77/73/1133427773.db2.gz NGSMNSHBLITYOQ-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001204961963 1133508156 /nfs/dbraw/zinc/50/81/56/1133508156.db2.gz YFSOGHVOCKUOSA-CWRNSKLLSA-N 0 3 259.393 3.711 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001204961963 1133508161 /nfs/dbraw/zinc/50/81/61/1133508161.db2.gz YFSOGHVOCKUOSA-CWRNSKLLSA-N 0 3 259.393 3.711 20 10 CHCDHN COc1cc(C)ccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001206783218 1133747994 /nfs/dbraw/zinc/74/79/94/1133747994.db2.gz WWBWPCSUHRBREJ-UHFFFAOYSA-N 0 3 298.430 3.702 20 10 CHCDHN CC[N@H+](CCc1ccccc1F)Cc1ccccc1[O-] ZINC001207505408 1133811006 /nfs/dbraw/zinc/81/10/06/1133811006.db2.gz ZWTWWFPIJZGQCW-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN CC[N@@H+](CCc1ccccc1F)Cc1ccccc1[O-] ZINC001207505408 1133811013 /nfs/dbraw/zinc/81/10/13/1133811013.db2.gz ZWTWWFPIJZGQCW-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN C[N@H+](CCCc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001208775659 1133943404 /nfs/dbraw/zinc/94/34/04/1133943404.db2.gz SVPNGNGIXWRXGR-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN C[N@@H+](CCCc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001208775659 1133943409 /nfs/dbraw/zinc/94/34/09/1133943409.db2.gz SVPNGNGIXWRXGR-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccccc1[O-] ZINC000403514719 1134791387 /nfs/dbraw/zinc/79/13/87/1134791387.db2.gz NJWSVGQIELUEPC-VYHDIPPYSA-N 0 3 277.433 3.860 20 10 CHCDHN COc1cc(C)ccc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000315908460 1135162732 /nfs/dbraw/zinc/16/27/32/1135162732.db2.gz RREHMLFDADDINZ-HNNXBMFYSA-N 0 3 298.430 3.920 20 10 CHCDHN COc1ccc(O)c(CN[C@H](C)c2ccccc2Cl)c1 ZINC000020124139 171005363 /nfs/dbraw/zinc/00/53/63/171005363.db2.gz JMPBWQIQZGOEHZ-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c(CN[C@@H](C)c2ccccc2Cl)c1 ZINC000020124138 171005913 /nfs/dbraw/zinc/00/59/13/171005913.db2.gz JMPBWQIQZGOEHZ-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN Cc1ccccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000020126080 171009866 /nfs/dbraw/zinc/00/98/66/171009866.db2.gz ZPVDBLQDYDYMGL-OAHLLOKOSA-N 0 3 268.404 3.912 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cccnc1)c1ccccc1[O-] ZINC000020127752 171013983 /nfs/dbraw/zinc/01/39/83/171013983.db2.gz JXOUXQKIEHEHMX-DOMZBBRYSA-N 0 3 256.349 3.589 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000035628890 172307738 /nfs/dbraw/zinc/30/77/38/172307738.db2.gz NGJLTZACUNVMTK-AWEZNQCLSA-N 0 3 284.403 3.617 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000037254119 173065376 /nfs/dbraw/zinc/06/53/76/173065376.db2.gz NRIDADHARZCPOW-FRRDWIJNSA-N 0 3 263.381 3.630 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000071406865 176156296 /nfs/dbraw/zinc/15/62/96/176156296.db2.gz OTPQZANKFKGGOA-UHFFFAOYSA-N 0 3 261.752 3.644 20 10 CHCDHN COc1cccc(CN[C@@H](C)c2ccc(F)cc2F)c1O ZINC000036952824 260056268 /nfs/dbraw/zinc/05/62/68/260056268.db2.gz XIRODJBPBZGQER-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN c1ccc2c(c1)SCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000037363500 260095037 /nfs/dbraw/zinc/09/50/37/260095037.db2.gz CMZOFDYNZVEARU-MRXNPFEDSA-N 0 3 297.423 3.948 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000156413739 261122790 /nfs/dbraw/zinc/12/27/90/261122790.db2.gz PZTRCASRBPAFSQ-FNHZYXHNSA-N 0 3 299.414 3.945 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000156766424 261131207 /nfs/dbraw/zinc/13/12/07/261131207.db2.gz JAEXAPGNQBSFGC-HOCLYGCPSA-N 0 3 289.419 3.925 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)c1c(C)noc1C)c1ccccc1[O-] ZINC000156866508 261134140 /nfs/dbraw/zinc/13/41/40/261134140.db2.gz AJVHYHUHAAZGAY-ABAIWWIYSA-N 0 3 288.391 3.841 20 10 CHCDHN CC[C@H](NCc1ccc(C)nc1)c1ccc(N(C)C)cc1 ZINC000161293749 261242831 /nfs/dbraw/zinc/24/28/31/261242831.db2.gz XMRZUEKBRLZDAK-SFHVURJKSA-N 0 3 283.419 3.697 20 10 CHCDHN COCc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184942166 262035154 /nfs/dbraw/zinc/03/51/54/262035154.db2.gz URJFWCZILDQHPJ-CQSZACIVSA-N 0 3 285.387 3.698 20 10 CHCDHN CC(=O)Nc1cccc(CN[C@H](C)c2cc(C)ccc2O)c1 ZINC000185020811 262037355 /nfs/dbraw/zinc/03/73/55/262037355.db2.gz PPVAWLMNQCPNOJ-CYBMUJFWSA-N 0 3 298.386 3.510 20 10 CHCDHN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185020811 262037356 /nfs/dbraw/zinc/03/73/56/262037356.db2.gz PPVAWLMNQCPNOJ-CYBMUJFWSA-N 0 3 298.386 3.510 20 10 CHCDHN CCOc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185103738 262040932 /nfs/dbraw/zinc/04/09/32/262040932.db2.gz WKMCIVOBACGZDZ-LBPRGKRZSA-N 0 3 289.350 3.781 20 10 CHCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185102199 262040975 /nfs/dbraw/zinc/04/09/75/262040975.db2.gz BBQZMUPZEDMHGQ-YVEFUNNKSA-N 0 3 289.350 3.570 20 10 CHCDHN CSCCCCC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000185164716 262044334 /nfs/dbraw/zinc/04/43/34/262044334.db2.gz XEOSMEJTFRYVLM-UHFFFAOYSA-N 0 3 267.438 3.632 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCOC2CCCC2)c([O-])c1 ZINC000185240698 262047803 /nfs/dbraw/zinc/04/78/03/262047803.db2.gz QWXVGWYUVNUNDN-AWEZNQCLSA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c([O-])c1 ZINC000185669499 262065035 /nfs/dbraw/zinc/06/50/35/262065035.db2.gz GUXYZPLHQJKTMA-OAHLLOKOSA-N 0 3 291.435 3.684 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccccc1[O-] ZINC000186127378 262081286 /nfs/dbraw/zinc/08/12/86/262081286.db2.gz QOZSRGOEINITQY-GUYCJALGSA-N 0 3 285.387 3.686 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])s1 ZINC000186777946 262109338 /nfs/dbraw/zinc/10/93/38/262109338.db2.gz QCKUMRXRJGJUBK-WCQYABFASA-N 0 3 290.432 3.920 20 10 CHCDHN CCc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])s1 ZINC000185026445 262301321 /nfs/dbraw/zinc/30/13/21/262301321.db2.gz WPFVTKPRKZXXCT-LLVKDONJSA-N 0 3 291.416 3.876 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCCCCSC)c1 ZINC000186533800 262316006 /nfs/dbraw/zinc/31/60/06/262316006.db2.gz JXMISSGWHFMGBV-CYBMUJFWSA-N 0 3 297.464 3.975 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000186727351 262322253 /nfs/dbraw/zinc/32/22/53/262322253.db2.gz QHJJXZNQKUQFKX-NEPJUHHUSA-N 0 3 276.405 3.611 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374472286 267793706 /nfs/dbraw/zinc/79/37/06/267793706.db2.gz PMFHVGRNOMDROK-LPHOPBHVSA-N 0 3 297.398 3.568 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000360020086 329070068 /nfs/dbraw/zinc/07/00/68/329070068.db2.gz KOGMQWTVTNYJIO-UHFFFAOYSA-N 0 3 289.419 3.530 20 10 CHCDHN CCCC[N@H+](Cc1ccnc(C)c1)Cc1ccccc1[O-] ZINC000527539197 330260819 /nfs/dbraw/zinc/26/08/19/330260819.db2.gz LEYNQANRXZKOES-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@@H+](Cc1ccnc(C)c1)Cc1ccccc1[O-] ZINC000527539197 330260820 /nfs/dbraw/zinc/26/08/20/330260820.db2.gz LEYNQANRXZKOES-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN c1ccc([C@@H](NCc2ccc3c(c2)CCO3)C2CCC2)nc1 ZINC000527769855 330281851 /nfs/dbraw/zinc/28/18/51/330281851.db2.gz BYKVKYAMSCFWEE-IBGZPJMESA-N 0 3 294.398 3.648 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)CC2 ZINC000527969291 330301410 /nfs/dbraw/zinc/30/14/10/330301410.db2.gz SWOFYKQFMCQTNX-KXBFYZLASA-N 0 3 294.398 3.906 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000529644992 333503332 /nfs/dbraw/zinc/50/33/32/333503332.db2.gz RUIQQZOHUFVMJQ-QGZVFWFLSA-N 0 3 286.350 3.557 20 10 CHCDHN CC(C)([NH2+]Cc1ccccc1[O-])c1ccccc1F ZINC000291762159 519324709 /nfs/dbraw/zinc/32/47/09/519324709.db2.gz RNRYRCIJYAZVJB-UHFFFAOYSA-N 0 3 259.324 3.556 20 10 CHCDHN CCC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000279999923 521170266 /nfs/dbraw/zinc/17/02/66/521170266.db2.gz FXIVTEMKRQUFPM-FNHZYXHNSA-N 0 3 299.414 3.945 20 10 CHCDHN CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2)c1[O-] ZINC000299519093 521358717 /nfs/dbraw/zinc/35/87/17/521358717.db2.gz DHQKZCCMFSUMSA-UHFFFAOYSA-N 0 3 285.387 3.816 20 10 CHCDHN CCCN(Cc1ccnn1C(C)C)Cc1ccccc1O ZINC000279592632 521692334 /nfs/dbraw/zinc/69/23/34/521692334.db2.gz HUEPYFCXVZMVCU-UHFFFAOYSA-N 0 3 287.407 3.582 20 10 CHCDHN CC[C@H](NC1CC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC000277193491 522560329 /nfs/dbraw/zinc/56/03/29/522560329.db2.gz VCEQWAATCBDQQJ-AWEZNQCLSA-N 0 3 268.351 3.591 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000280075630 522718823 /nfs/dbraw/zinc/71/88/23/522718823.db2.gz LJMHBNUNYGGRNA-HIFRSBDPSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1ccccc1[O-] ZINC000274930811 522720343 /nfs/dbraw/zinc/72/03/43/522720343.db2.gz QUTGWAOXVKXKTI-KMFMINBZSA-N 0 3 277.408 3.637 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000274961641 522755263 /nfs/dbraw/zinc/75/52/63/522755263.db2.gz WVUXKJBKONNYMS-ZFWWWQNUSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000050015506 522882762 /nfs/dbraw/zinc/88/27/62/522882762.db2.gz WTICTORZJVWJBZ-CQSZACIVSA-N 0 3 286.331 3.541 20 10 CHCDHN CO[C@H](C[NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000266174632 523951831 /nfs/dbraw/zinc/95/18/31/523951831.db2.gz SLLYNHSUTOEVPZ-MRXNPFEDSA-N 0 3 291.778 3.523 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)c([O-])c1 ZINC000293252006 524330716 /nfs/dbraw/zinc/33/07/16/524330716.db2.gz BPSBDXZWYRCACN-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1cc(C)c([C@H](C)NCc2cn3ccccc3n2)c(O)c1 ZINC000293278932 524334300 /nfs/dbraw/zinc/33/43/00/524334300.db2.gz CRYAKCRXYDDMQS-AWEZNQCLSA-N 0 3 295.386 3.508 20 10 CHCDHN C[C@H]([NH2+]CCCOc1ccccc1)c1ccccc1[O-] ZINC000052092009 525343924 /nfs/dbraw/zinc/34/39/24/525343924.db2.gz ZSFWCVROKDXNDA-AWEZNQCLSA-N 0 3 271.360 3.512 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc2c(cc1[O-])CCCC2 ZINC000280120752 525485840 /nfs/dbraw/zinc/48/58/40/525485840.db2.gz PNLURBGVMFFKBF-OLZOCXBDSA-N 0 3 291.460 3.675 20 10 CHCDHN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000037228906 525617467 /nfs/dbraw/zinc/61/74/67/525617467.db2.gz XJJFHFZFAHXKGX-KGLIPLIRSA-N 0 3 269.392 3.559 20 10 CHCDHN Cc1ccsc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000070090041 525869751 /nfs/dbraw/zinc/86/97/51/525869751.db2.gz SZDDPQYFABOGCG-CYBMUJFWSA-N 0 3 274.433 3.973 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)c([O-])c1C ZINC000290176770 525940094 /nfs/dbraw/zinc/94/00/94/525940094.db2.gz FCTKBWJZTWBLCW-KHYOSLBOSA-N 0 3 299.414 3.782 20 10 CHCDHN COc1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1[O-] ZINC000061359827 526035317 /nfs/dbraw/zinc/03/53/17/526035317.db2.gz XKCITGOZJVHSKN-CYBMUJFWSA-N 0 3 289.400 3.630 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141685 526373960 /nfs/dbraw/zinc/37/39/60/526373960.db2.gz SVSPKHMHTROQBZ-VXGBXAGGSA-N 0 3 273.298 3.603 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000037128027 526374882 /nfs/dbraw/zinc/37/48/82/526374882.db2.gz FILHRTJBUYWXPE-AWEZNQCLSA-N 0 3 271.385 3.719 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000129065611 1125472099 /nfs/dbraw/zinc/47/20/99/1125472099.db2.gz LORYEGKHNWUYEZ-DNVCBOLYSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000129065611 1125472101 /nfs/dbraw/zinc/47/21/01/1125472101.db2.gz LORYEGKHNWUYEZ-DNVCBOLYSA-N 0 3 297.398 3.546 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])CC1CCC(F)(F)CC1 ZINC000693043646 1118094577 /nfs/dbraw/zinc/09/45/77/1118094577.db2.gz MCWJLSRDCQLDOR-UHFFFAOYSA-N 0 3 269.335 3.650 20 10 CHCDHN CS[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183518633 1120137228 /nfs/dbraw/zinc/13/72/28/1120137228.db2.gz QKKXJWCLJCVODL-XQQFMLRXSA-N 0 3 265.422 3.717 20 10 CHCDHN Cc1cc(O)c(CN(C)Cc2ccsc2)cc1C ZINC000111988691 1123472841 /nfs/dbraw/zinc/47/28/41/1123472841.db2.gz SPPNGOBDYFUAAL-UHFFFAOYSA-N 0 3 261.390 3.703 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC000857082300 1123585897 /nfs/dbraw/zinc/58/58/97/1123585897.db2.gz MJOBFTXJSWCOIB-WDEREUQCSA-N 0 3 288.218 3.935 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCC2(C)CC2)c2c1c(F)ccc2[O-] ZINC000794828434 1123962153 /nfs/dbraw/zinc/96/21/53/1123962153.db2.gz OVYWKURKSBESLO-JQWIXIFHSA-N 0 3 263.356 3.859 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CCCCO)c1[O-] ZINC000834876321 1131715817 /nfs/dbraw/zinc/71/58/17/1131715817.db2.gz AKZPWWOTSYAQKN-NWDGAFQWSA-N 0 3 285.815 3.556 20 10 CHCDHN CN(C)c1cc(F)c(CN(C)CC2CCCC2)cc1F ZINC001204421373 1133444267 /nfs/dbraw/zinc/44/42/67/1133444267.db2.gz FJZMFVZMUYMKEP-UHFFFAOYSA-N 0 3 282.378 3.653 20 10 CHCDHN CCOc1cccc(C[NH+]2CCC(C)(CC)CC2)c1[O-] ZINC000133982298 1125517436 /nfs/dbraw/zinc/51/74/36/1125517436.db2.gz LFIQDZMQMYCKSX-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000134235805 1125546002 /nfs/dbraw/zinc/54/60/02/1125546002.db2.gz ZBUKUUMXXKJIEX-UHFFFAOYSA-N 0 3 282.170 3.989 20 10 CHCDHN Cc1cc(C)c(C[NH2+]Cc2ccccc2[O-])c(C)c1 ZINC000134231081 1125546427 /nfs/dbraw/zinc/54/64/27/1125546427.db2.gz UAUPPJDXDZXAQL-UHFFFAOYSA-N 0 3 255.361 3.607 20 10 CHCDHN C[C@@H](N[C@@H]1COCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000841762354 1125601830 /nfs/dbraw/zinc/60/18/30/1125601830.db2.gz WNLZVJPYKYALCN-AUUYWEPGSA-N 0 3 296.414 3.675 20 10 CHCDHN C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000886774539 1125715674 /nfs/dbraw/zinc/71/56/74/1125715674.db2.gz PNYQOIYHCMFKNK-WMLDXEAASA-N 0 3 289.419 3.782 20 10 CHCDHN CCCCN(Cc1cncs1)Cc1ccccc1O ZINC000282973497 1125745937 /nfs/dbraw/zinc/74/59/37/1125745937.db2.gz IRRCCNXPGSCDGX-UHFFFAOYSA-N 0 3 276.405 3.651 20 10 CHCDHN CCC[N@H+](Cc1cccc(O)c1)Cc1ccccc1[O-] ZINC000092705036 1125760694 /nfs/dbraw/zinc/76/06/94/1125760694.db2.gz YJUXVMFUPNLSPR-UHFFFAOYSA-N 0 3 271.360 3.510 20 10 CHCDHN CCC[N@@H+](Cc1cccc(O)c1)Cc1ccccc1[O-] ZINC000092705036 1125760700 /nfs/dbraw/zinc/76/07/00/1125760700.db2.gz YJUXVMFUPNLSPR-UHFFFAOYSA-N 0 3 271.360 3.510 20 10 CHCDHN CCCC[N@H+](CCSCC)Cc1ccccc1[O-] ZINC000801595118 1129931305 /nfs/dbraw/zinc/93/13/05/1129931305.db2.gz IIZNUZJTPMURQG-UHFFFAOYSA-N 0 3 267.438 3.747 20 10 CHCDHN CCCC[N@@H+](CCSCC)Cc1ccccc1[O-] ZINC000801595118 1129931309 /nfs/dbraw/zinc/93/13/09/1129931309.db2.gz IIZNUZJTPMURQG-UHFFFAOYSA-N 0 3 267.438 3.747 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000183412576 1126886750 /nfs/dbraw/zinc/88/67/50/1126886750.db2.gz ICCBWRFPHKBHIB-CVEARBPZSA-N 0 3 296.414 3.569 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccccc1[O-] ZINC000183471311 1126887361 /nfs/dbraw/zinc/88/73/61/1126887361.db2.gz BSDMQBOYDYNKFM-AWEZNQCLSA-N 0 3 296.414 3.625 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccncc1 ZINC000183529132 1126888865 /nfs/dbraw/zinc/88/88/65/1126888865.db2.gz ZHMKWWMJOQPOBC-WFASDCNBSA-N 0 3 256.349 3.589 20 10 CHCDHN C[C@@H](O)C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000183559164 1126888905 /nfs/dbraw/zinc/88/89/05/1126888905.db2.gz PSNBDUGICUUBDD-HLLBOEOZSA-N 0 3 299.414 3.598 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000183621128 1126889736 /nfs/dbraw/zinc/88/97/36/1126889736.db2.gz FRKSHEDUNGVQRC-UONOGXRCSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccccc1[O-] ZINC000187889907 1126916989 /nfs/dbraw/zinc/91/69/89/1126916989.db2.gz JIFSWMOEHAFFKU-PKOBYXMFSA-N 0 3 299.414 3.731 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1[O-] ZINC000906594274 1126960804 /nfs/dbraw/zinc/96/08/04/1126960804.db2.gz CTSXMOLYWGBIOE-XZJROXQQSA-N 0 3 271.335 3.738 20 10 CHCDHN CC(C)[C@@H]1[N@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000814171904 1130839047 /nfs/dbraw/zinc/83/90/47/1130839047.db2.gz YSTAGRMHAZLSCC-HNNXBMFYSA-N 0 3 263.356 3.542 20 10 CHCDHN CC(C)[C@@H]1[N@@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000814171904 1130839054 /nfs/dbraw/zinc/83/90/54/1130839054.db2.gz YSTAGRMHAZLSCC-HNNXBMFYSA-N 0 3 263.356 3.542 20 10 CHCDHN CCCOc1ccc(C[NH2+]CCCC(F)(F)F)c([O-])c1 ZINC000266501147 1126983202 /nfs/dbraw/zinc/98/32/02/1126983202.db2.gz BJHRGUCCFJFSFX-UHFFFAOYSA-N 0 3 291.313 3.613 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC23CCCCC3)c1[O-] ZINC001238064134 1131166832 /nfs/dbraw/zinc/16/68/32/1131166832.db2.gz OKRVAXNSJSDDKR-UHFFFAOYSA-N 0 3 263.356 3.748 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C2(C3CCC3)CCC2)c1[O-] ZINC000717872002 1127384948 /nfs/dbraw/zinc/38/49/48/1127384948.db2.gz IAGPJRFHWVVOSB-UHFFFAOYSA-N 0 3 295.810 3.867 20 10 CHCDHN CCC1(C)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000226563957 1127410941 /nfs/dbraw/zinc/41/09/41/1127410941.db2.gz DPSLUIJQHPKBGD-UHFFFAOYSA-N 0 3 251.345 3.543 20 10 CHCDHN C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584842 1127412342 /nfs/dbraw/zinc/41/23/42/1127412342.db2.gz SPZVRNXXBDMUGH-NSHDSACASA-N 0 3 293.769 3.906 20 10 CHCDHN C[C@@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000226701118 1127418068 /nfs/dbraw/zinc/41/80/68/1127418068.db2.gz ZTCUJHPARCIRBN-RKVPGOIHSA-N 0 3 290.451 3.553 20 10 CHCDHN CCOC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000060445615 1127528317 /nfs/dbraw/zinc/52/83/17/1127528317.db2.gz OPUQMFQTUXKBSL-UHFFFAOYSA-N 0 3 285.387 3.546 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1[O-] ZINC000761225922 1127550130 /nfs/dbraw/zinc/55/01/30/1127550130.db2.gz MYEGECKUAPJDRX-CYBMUJFWSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c1[O-] ZINC000761225922 1127550132 /nfs/dbraw/zinc/55/01/32/1127550132.db2.gz MYEGECKUAPJDRX-CYBMUJFWSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC=CCC2)c1[O-] ZINC000228672698 1127582613 /nfs/dbraw/zinc/58/26/13/1127582613.db2.gz WYIHRJCIJCFEHM-NSHDSACASA-N 0 3 281.783 3.500 20 10 CHCDHN C[C@@H](CCc1ccco1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295989598 1129220403 /nfs/dbraw/zinc/22/04/03/1129220403.db2.gz NRRIJSUUFWAVEG-WFASDCNBSA-N 0 3 271.360 3.583 20 10 CHCDHN CCC[N@H+](Cc1ccncc1C)Cc1ccccc1[O-] ZINC000295015638 1127614177 /nfs/dbraw/zinc/61/41/77/1127614177.db2.gz ZOYFUJHCTJNYTL-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1ccncc1C)Cc1ccccc1[O-] ZINC000295015638 1127614178 /nfs/dbraw/zinc/61/41/78/1127614178.db2.gz ZOYFUJHCTJNYTL-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1ccc3[nH]ccc3c1)CC2 ZINC000296351339 1127669385 /nfs/dbraw/zinc/66/93/85/1127669385.db2.gz HMFWPBWVKXXXFX-KRWDZBQOSA-N 0 3 292.382 3.693 20 10 CHCDHN Cc1cc(O)c(CN(Cc2cccnc2)C2CC2)cc1C ZINC000296538824 1127675346 /nfs/dbraw/zinc/67/53/46/1127675346.db2.gz OFVHBOHIMPDAOE-UHFFFAOYSA-N 0 3 282.387 3.569 20 10 CHCDHN C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000296555993 1127675939 /nfs/dbraw/zinc/67/59/39/1127675939.db2.gz RUOKIMDVOOORFL-JTQLQIEISA-N 0 3 296.292 3.657 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ncccc1C)c1ccc(C)cc1[O-] ZINC000296628752 1127679209 /nfs/dbraw/zinc/67/92/09/1127679209.db2.gz XHFUPWGIMCJCMQ-MRXNPFEDSA-N 0 3 284.403 3.687 20 10 CHCDHN Oc1cccc2c1[C@@H](NC1(c3ccccc3F)CC1)CC2 ZINC000296662650 1127680704 /nfs/dbraw/zinc/68/07/04/1127680704.db2.gz FKCZYESQCDITLF-HNNXBMFYSA-N 0 3 283.346 3.798 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCOc3ccccc31)CC2 ZINC000297728165 1127705371 /nfs/dbraw/zinc/70/53/71/1127705371.db2.gz NMWDDQPQDXLONA-HOTGVXAUSA-N 0 3 295.382 3.883 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000373344500 1127835710 /nfs/dbraw/zinc/83/57/10/1127835710.db2.gz BAABVPALLSJTMR-VHSSKADRSA-N 0 3 289.419 3.556 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCSC3(CCC3)C1)CC2 ZINC000927039839 1128210870 /nfs/dbraw/zinc/21/08/70/1128210870.db2.gz SSQWVQPEGCKPKC-UONOGXRCSA-N 0 3 289.444 3.787 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccccc1[O-] ZINC000927063275 1128213055 /nfs/dbraw/zinc/21/30/55/1128213055.db2.gz BQANYLZZEHAJLR-HOTGVXAUSA-N 0 3 282.387 3.906 20 10 CHCDHN Cc1ccccc1C[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000777825263 1128288475 /nfs/dbraw/zinc/28/84/75/1128288475.db2.gz RUONYXIEMLTNER-HNNXBMFYSA-N 0 3 269.388 3.764 20 10 CHCDHN Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000777825263 1128288478 /nfs/dbraw/zinc/28/84/78/1128288478.db2.gz RUONYXIEMLTNER-HNNXBMFYSA-N 0 3 269.388 3.764 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1CF)c1ccccc1[O-] ZINC000931555260 1128369035 /nfs/dbraw/zinc/36/90/35/1128369035.db2.gz WIBNVVSMHGUPKU-GFCCVEGCSA-N 0 3 259.324 3.713 20 10 CHCDHN CC[C@H]([NH2+]CCOc1cccc(C)c1)c1ccccc1[O-] ZINC000042896032 1128589250 /nfs/dbraw/zinc/58/92/50/1128589250.db2.gz KVLSSJBKNKOBKK-KRWDZBQOSA-N 0 3 285.387 3.820 20 10 CHCDHN CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1ccccc1[O-] ZINC000155971722 1128621417 /nfs/dbraw/zinc/62/14/17/1128621417.db2.gz QEDWMQIUGNLSMH-RDJZCZTQSA-N 0 3 279.424 3.620 20 10 CHCDHN CC(C)[C@H](C)[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000778988668 1128673798 /nfs/dbraw/zinc/67/37/98/1128673798.db2.gz KFRUNMOBAXHXBT-NSHDSACASA-N 0 3 251.345 3.540 20 10 CHCDHN CC(C)[C@H](C)[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000778988668 1128673800 /nfs/dbraw/zinc/67/38/00/1128673800.db2.gz KFRUNMOBAXHXBT-NSHDSACASA-N 0 3 251.345 3.540 20 10 CHCDHN C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000779023634 1128685957 /nfs/dbraw/zinc/68/59/57/1128685957.db2.gz VBNDPCGKZVPGRG-DOTOQJQBSA-N 0 3 281.399 3.845 20 10 CHCDHN C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000779023634 1128685958 /nfs/dbraw/zinc/68/59/58/1128685958.db2.gz VBNDPCGKZVPGRG-DOTOQJQBSA-N 0 3 281.399 3.845 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CC(C)C2)c1[O-] ZINC000779036705 1128697593 /nfs/dbraw/zinc/69/75/93/1128697593.db2.gz QLHQQJNWVIFVCA-BSTRBVHOSA-N 0 3 298.224 3.912 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000779064671 1128714624 /nfs/dbraw/zinc/71/46/24/1128714624.db2.gz GWWONMRBXMWHKV-UHFFFAOYSA-N 0 3 289.325 3.839 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)c2c1c(F)ccc2[O-] ZINC000779078457 1128722281 /nfs/dbraw/zinc/72/22/81/1128722281.db2.gz GHNFBFVAPXSAAX-NQBHXWOUSA-N 0 3 293.382 3.627 20 10 CHCDHN CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000228793574 1117770242 /nfs/dbraw/zinc/77/02/42/1117770242.db2.gz QKKXJWCLJCVODL-YNEHKIRRSA-N 0 3 265.422 3.717 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c([O-])c1 ZINC000185528119 1117838493 /nfs/dbraw/zinc/83/84/93/1117838493.db2.gz JCAVJRGASMXXER-WMLDXEAASA-N 0 3 279.424 3.538 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C12CCC2 ZINC000185551739 1117844246 /nfs/dbraw/zinc/84/42/46/1117844246.db2.gz NYFCLDBDPWWMRK-IUIKQTSFSA-N 0 3 293.382 3.530 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C12CCC2 ZINC000185551649 1117845106 /nfs/dbraw/zinc/84/51/06/1117845106.db2.gz DQXOMZZTRKUNTH-IAOVAPTHSA-N 0 3 289.419 3.699 20 10 CHCDHN CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])C1CCCC1 ZINC000692981381 1117959567 /nfs/dbraw/zinc/95/95/67/1117959567.db2.gz UWAGZFCHNLELHQ-GUYCJALGSA-N 0 3 277.408 3.556 20 10 CHCDHN CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186093713 1117990095 /nfs/dbraw/zinc/99/00/95/1117990095.db2.gz ULNJLEWFMGXBAK-GDZNZVCISA-N 0 3 295.398 3.633 20 10 CHCDHN C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccccc1[O-] ZINC000179581140 1128748904 /nfs/dbraw/zinc/74/89/04/1128748904.db2.gz CPMVWRVXCVEBHN-GFCCVEGCSA-N 0 3 261.390 3.517 20 10 CHCDHN C[C@H](Cc1ccsc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000179581140 1128748909 /nfs/dbraw/zinc/74/89/09/1128748909.db2.gz CPMVWRVXCVEBHN-GFCCVEGCSA-N 0 3 261.390 3.517 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1[O-] ZINC000779151377 1128753070 /nfs/dbraw/zinc/75/30/70/1128753070.db2.gz XNAAGNDQUNLYDI-ZDUSSCGKSA-N 0 3 297.826 3.790 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])CC1CCC(F)(F)CC1 ZINC000693043646 1118094574 /nfs/dbraw/zinc/09/45/74/1118094574.db2.gz MCWJLSRDCQLDOR-UHFFFAOYSA-N 0 3 269.335 3.650 20 10 CHCDHN Cc1cccc(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1O ZINC000179854411 1128762066 /nfs/dbraw/zinc/76/20/66/1128762066.db2.gz RQYPLEIQMWUURB-YJBOKZPZSA-N 0 3 297.398 3.663 20 10 CHCDHN Cc1cc([C@H]2CCCN2Cc2c(C)ccc(C)c2O)no1 ZINC001140178202 1118241527 /nfs/dbraw/zinc/24/15/27/1118241527.db2.gz CFTQQQGVAHFQBP-MRXNPFEDSA-N 0 3 286.375 3.643 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccncc1OC)c1ccccc1[O-] ZINC000188763304 1128765052 /nfs/dbraw/zinc/76/50/52/1128765052.db2.gz SMNMKAYQTVLEMP-IUODEOHRSA-N 0 3 286.375 3.598 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)cc2)c1[O-] ZINC000076274231 1118282960 /nfs/dbraw/zinc/28/29/60/1118282960.db2.gz WMRJSMNFCRRATJ-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN CC[C@H]([NH2+]CC1(O)CCCCCC1)c1ccccc1[O-] ZINC000087088997 1118452620 /nfs/dbraw/zinc/45/26/20/1118452620.db2.gz VTSLWBWJDOWKDP-HNNXBMFYSA-N 0 3 277.408 3.518 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000180261724 1128784519 /nfs/dbraw/zinc/78/45/19/1128784519.db2.gz WAGOBJFKQHWUMK-UHFFFAOYSA-N 0 3 291.288 3.696 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000180261724 1128784522 /nfs/dbraw/zinc/78/45/22/1128784522.db2.gz WAGOBJFKQHWUMK-UHFFFAOYSA-N 0 3 291.288 3.696 20 10 CHCDHN CS[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183518651 1118981614 /nfs/dbraw/zinc/98/16/14/1118981614.db2.gz QKKXJWCLJCVODL-UPJWGTAASA-N 0 3 265.422 3.717 20 10 CHCDHN Cc1ccccc1[C@H]1CN(Cc2ccccc2O)[C@H](C)CO1 ZINC000179578517 1119751843 /nfs/dbraw/zinc/75/18/43/1119751843.db2.gz XGLFVBJYTAXYJL-DNVCBOLYSA-N 0 3 297.398 3.663 20 10 CHCDHN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000179580503 1119751946 /nfs/dbraw/zinc/75/19/46/1119751946.db2.gz XEHIIQGXXJSQSB-WMLDXEAASA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000179580503 1119751948 /nfs/dbraw/zinc/75/19/48/1119751948.db2.gz XEHIIQGXXJSQSB-WMLDXEAASA-N 0 3 267.372 3.770 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(Cl)s1)CC2 ZINC000311037781 1120011850 /nfs/dbraw/zinc/01/18/50/1120011850.db2.gz FWHPTOWRGZXLEO-NSHDSACASA-N 0 3 279.792 3.884 20 10 CHCDHN Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000107319889 1120058768 /nfs/dbraw/zinc/05/87/68/1120058768.db2.gz DZYGPZNCNDZWSQ-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168809205 1120096933 /nfs/dbraw/zinc/09/69/33/1120096933.db2.gz HHIWVUYQBJPZNQ-OLZOCXBDSA-N 0 3 267.438 3.883 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cccc(O)c1 ZINC000921688988 1120113777 /nfs/dbraw/zinc/11/37/77/1120113777.db2.gz NTNRWRJBDYADPU-CYBMUJFWSA-N 0 3 283.371 3.568 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCN(C)c2ccccc2)c([O-])c1 ZINC000314041387 1120166033 /nfs/dbraw/zinc/16/60/33/1120166033.db2.gz BOWWFWPLVBZNLZ-INIZCTEOSA-N 0 3 298.430 3.878 20 10 CHCDHN CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000179870924 1120256078 /nfs/dbraw/zinc/25/60/78/1120256078.db2.gz ANHLVZPJESGLER-UHFFFAOYSA-N 0 3 259.324 3.553 20 10 CHCDHN CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000179870924 1120256081 /nfs/dbraw/zinc/25/60/81/1120256081.db2.gz ANHLVZPJESGLER-UHFFFAOYSA-N 0 3 259.324 3.553 20 10 CHCDHN C[C@@H]([NH2+][C@H]1Cc2cccc(Cl)c2C1)c1ccccc1[O-] ZINC001168690243 1120256326 /nfs/dbraw/zinc/25/63/26/1120256326.db2.gz KKIPHXCLSWICIA-YPMHNXCESA-N 0 3 287.790 3.864 20 10 CHCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000182990485 1120332865 /nfs/dbraw/zinc/33/28/65/1120332865.db2.gz PIOBUUPNPPQSJD-UHFFFAOYSA-N 0 3 283.371 3.565 20 10 CHCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000182990485 1120332870 /nfs/dbraw/zinc/33/28/70/1120332870.db2.gz PIOBUUPNPPQSJD-UHFFFAOYSA-N 0 3 283.371 3.565 20 10 CHCDHN CCc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000183419639 1120341152 /nfs/dbraw/zinc/34/11/52/1120341152.db2.gz OSXDJFOVYVZLMZ-NSHDSACASA-N 0 3 261.390 3.867 20 10 CHCDHN Cc1cncc([C@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000184329446 1120355320 /nfs/dbraw/zinc/35/53/20/1120355320.db2.gz UWHBUFYDRNGVTL-HNNXBMFYSA-N 0 3 295.430 3.623 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000185828713 1120386472 /nfs/dbraw/zinc/38/64/72/1120386472.db2.gz WIVUMVGZKUPAQN-YOEHRIQHSA-N 0 3 291.435 3.683 20 10 CHCDHN C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186579638 1120402582 /nfs/dbraw/zinc/40/25/82/1120402582.db2.gz DFIUYIXNTQMQPN-ZDUSSCGKSA-N 0 3 285.362 3.957 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1ccccc1[O-] ZINC000692692684 1120488474 /nfs/dbraw/zinc/48/84/74/1120488474.db2.gz VFRACNDNDPZGNR-UKRRQHHQSA-N 0 3 270.376 3.632 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2)c([O-])c1 ZINC000020090630 1120582712 /nfs/dbraw/zinc/58/27/12/1120582712.db2.gz PDMSCETXUAJOJV-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1cnc(CNC/C=C/c2ccc(N(C)C)cc2)c(C)c1 ZINC000922740226 1120589842 /nfs/dbraw/zinc/58/98/42/1120589842.db2.gz DXYQJHIIZZLEAO-AATRIKPKSA-N 0 3 295.430 3.567 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000857082389 1120628350 /nfs/dbraw/zinc/62/83/50/1120628350.db2.gz NDDGDQQZBHOHFI-BDAKNGLRSA-N 0 3 292.181 3.766 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000186826564 1120675109 /nfs/dbraw/zinc/67/51/09/1120675109.db2.gz FWPZYJXBHUORFR-LXZKKBNFSA-N 0 3 277.408 3.637 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C)c(C)n1)c1ccccc1[O-] ZINC000314846380 1120978128 /nfs/dbraw/zinc/97/81/28/1120978128.db2.gz UYHXINBVTLYUCP-INIZCTEOSA-N 0 3 270.376 3.645 20 10 CHCDHN C[C@H](NCc1cncc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000702965144 1121224103 /nfs/dbraw/zinc/22/41/03/1121224103.db2.gz CLKITALHUPZSOI-LBPRGKRZSA-N 0 3 289.810 3.652 20 10 CHCDHN CCCC[N@H+](Cc1cccnc1)Cc1ccccc1[O-] ZINC000282524860 1121320378 /nfs/dbraw/zinc/32/03/78/1121320378.db2.gz UJFRUZFFMUNALO-UHFFFAOYSA-N 0 3 270.376 3.590 20 10 CHCDHN CCCC[N@@H+](Cc1cccnc1)Cc1ccccc1[O-] ZINC000282524860 1121320385 /nfs/dbraw/zinc/32/03/85/1121320385.db2.gz UJFRUZFFMUNALO-UHFFFAOYSA-N 0 3 270.376 3.590 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCC13CC3)CC2 ZINC000707057395 1121449098 /nfs/dbraw/zinc/44/90/98/1121449098.db2.gz KCNFUJJVFZPTNR-UONOGXRCSA-N 0 3 257.377 3.549 20 10 CHCDHN COc1cc(C)cc(CNCc2ccc(OC)c(C)c2)c1 ZINC001178276622 1121777127 /nfs/dbraw/zinc/77/71/27/1121777127.db2.gz ZPSQRXDKQZEBSJ-UHFFFAOYSA-N 0 3 285.387 3.610 20 10 CHCDHN C[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)O1 ZINC001204233574 1121831675 /nfs/dbraw/zinc/83/16/75/1121831675.db2.gz RPVVQDIGGITWEL-GJZGRUSLSA-N 0 3 298.430 3.515 20 10 CHCDHN C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1[O-] ZINC001179489454 1121883674 /nfs/dbraw/zinc/88/36/74/1121883674.db2.gz OQRIZYUSYVPVDA-CYBMUJFWSA-N 0 3 281.355 3.519 20 10 CHCDHN COc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1C ZINC001179536823 1121886179 /nfs/dbraw/zinc/88/61/79/1121886179.db2.gz ACKAVUCHQXMEDT-AWEZNQCLSA-N 0 3 297.398 3.617 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC001180097113 1121943402 /nfs/dbraw/zinc/94/34/02/1121943402.db2.gz BCOIRQFJNGYORO-CQSZACIVSA-N 0 3 297.398 3.656 20 10 CHCDHN COc1cc(C)c(C[N@H+]2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC001180097113 1121943406 /nfs/dbraw/zinc/94/34/06/1121943406.db2.gz BCOIRQFJNGYORO-CQSZACIVSA-N 0 3 297.398 3.656 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000733325031 1121976438 /nfs/dbraw/zinc/97/64/38/1121976438.db2.gz SUDMBULWKYJXMY-DOMZBBRYSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000733325032 1121976701 /nfs/dbraw/zinc/97/67/01/1121976701.db2.gz SUDMBULWKYJXMY-IUODEOHRSA-N 0 3 271.360 3.707 20 10 CHCDHN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000271700424 1122171666 /nfs/dbraw/zinc/17/16/66/1122171666.db2.gz TZFIFKJABZNANC-VXGBXAGGSA-N 0 3 286.331 3.712 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000271700424 1122171668 /nfs/dbraw/zinc/17/16/68/1122171668.db2.gz TZFIFKJABZNANC-VXGBXAGGSA-N 0 3 286.331 3.712 20 10 CHCDHN COc1cc(C)c(C[NH+]2CCC(C3CCC3)CC2)c([O-])c1 ZINC001182806018 1122190383 /nfs/dbraw/zinc/19/03/83/1122190383.db2.gz ONIBFCICLGRVSZ-UHFFFAOYSA-N 0 3 289.419 3.721 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000272527104 1122205649 /nfs/dbraw/zinc/20/56/49/1122205649.db2.gz YZCRKJBIDPSSRK-OAHLLOKOSA-N 0 3 293.382 3.503 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000273503351 1122236184 /nfs/dbraw/zinc/23/61/84/1122236184.db2.gz QMXILWBGWYPVMH-JJRVBVJISA-N 0 3 291.435 3.945 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)c([O-])c1 ZINC000273606057 1122239848 /nfs/dbraw/zinc/23/98/48/1122239848.db2.gz UEQZSGKFPWCZSL-BLLLJJGKSA-N 0 3 283.371 3.744 20 10 CHCDHN Cc1cc(C)c2c(c1)CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001184419301 1122275629 /nfs/dbraw/zinc/27/56/29/1122275629.db2.gz ZIIGUCAWNKXNPG-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1cc(C)c2c(c1)CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001184419301 1122275633 /nfs/dbraw/zinc/27/56/33/1122275633.db2.gz ZIIGUCAWNKXNPG-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN CC[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccccc1[O-] ZINC000183327503 1129044821 /nfs/dbraw/zinc/04/48/21/1129044821.db2.gz VPNBGFGZCSDYAP-QGZVFWFLSA-N 0 3 284.403 3.569 20 10 CHCDHN CCOc1cccc(C[N@H+](CC2CCC2)C(C)C)c1[O-] ZINC000775175873 1122466562 /nfs/dbraw/zinc/46/65/62/1122466562.db2.gz HKPZSXJVRGIRMH-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC2CCC2)C(C)C)c1[O-] ZINC000775175873 1122466565 /nfs/dbraw/zinc/46/65/65/1122466565.db2.gz HKPZSXJVRGIRMH-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccccc1[O-] ZINC000775413770 1122556578 /nfs/dbraw/zinc/55/65/78/1122556578.db2.gz AQKDBMGJBGUWTI-CQSZACIVSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@@H](NCc1cccc(F)c1F)c1ccccc1O ZINC000775413770 1122556580 /nfs/dbraw/zinc/55/65/80/1122556580.db2.gz AQKDBMGJBGUWTI-CQSZACIVSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cc(C)ccc1OC)c1ccccc1[O-] ZINC000775484710 1122616646 /nfs/dbraw/zinc/61/66/46/1122616646.db2.gz HQXXCLHZMTZMSI-QGZVFWFLSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)COc1ccccc1)c1ccccc1[O-] ZINC000775495870 1122624311 /nfs/dbraw/zinc/62/43/11/1122624311.db2.gz DYECPANTQMFFKX-RHSMWYFYSA-N 0 3 285.387 3.900 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1ccccc1[O-] ZINC000775495871 1122624317 /nfs/dbraw/zinc/62/43/17/1122624317.db2.gz DYECPANTQMFFKX-WMLDXEAASA-N 0 3 285.387 3.900 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1ccccc1[O-] ZINC000775508737 1122630176 /nfs/dbraw/zinc/63/01/76/1122630176.db2.gz WSAUITUDUMSDJS-RDJZCZTQSA-N 0 3 297.402 3.609 20 10 CHCDHN CC[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccccc1[O-] ZINC000775502969 1122630890 /nfs/dbraw/zinc/63/08/90/1122630890.db2.gz ZHCZGPFXDOFQKM-HLLBOEOZSA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1[O-] ZINC000775503558 1122631205 /nfs/dbraw/zinc/63/12/05/1122631205.db2.gz JFZKUOLCLUQOPF-MRXNPFEDSA-N 0 3 291.341 3.954 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1ccccc1[O-] ZINC000775512050 1122633777 /nfs/dbraw/zinc/63/37/77/1122633777.db2.gz JNGIRTSZNAMXRX-HZPDHXFCSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1ccccc1[O-] ZINC000775524499 1122643030 /nfs/dbraw/zinc/64/30/30/1122643030.db2.gz APNUEOUFYRDOHK-ZIAGYGMSSA-N 0 3 291.416 3.536 20 10 CHCDHN CCOc1cccc(CC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183622775 1129070702 /nfs/dbraw/zinc/07/07/02/1129070702.db2.gz RBOBCUBZSVWVPY-CQSZACIVSA-N 0 3 285.387 3.684 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cc(F)ccc2C1)c1ccccc1[O-] ZINC001168407191 1122733903 /nfs/dbraw/zinc/73/39/03/1122733903.db2.gz NAFJPCSGNKHPBN-LRDDRELGSA-N 0 3 285.362 3.739 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C)CC2)c1[O-] ZINC000775638553 1122846152 /nfs/dbraw/zinc/84/61/52/1122846152.db2.gz KVKILIPTABWWOV-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN COc1ccc(C[NH2+]C[C@H](C)C2CCCCC2)c([O-])c1 ZINC000776077346 1123053230 /nfs/dbraw/zinc/05/32/30/1123053230.db2.gz NTDBVWSWQGFADW-ZDUSSCGKSA-N 0 3 277.408 3.707 20 10 CHCDHN Cc1cccc(C)c1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001137852606 1123054473 /nfs/dbraw/zinc/05/44/73/1123054473.db2.gz JILBRBWPKCSYKM-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1cccc(C)c1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001137852606 1123054477 /nfs/dbraw/zinc/05/44/77/1123054477.db2.gz JILBRBWPKCSYKM-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)c([O-])c1 ZINC000776174617 1123101666 /nfs/dbraw/zinc/10/16/66/1123101666.db2.gz QCFVNAOQSRHIAN-SFHVURJKSA-N 0 3 297.398 3.876 20 10 CHCDHN Cc1ccncc1[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776255437 1123188373 /nfs/dbraw/zinc/18/83/73/1123188373.db2.gz XIFDUMHSZKWJOQ-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000850411685 1123264156 /nfs/dbraw/zinc/26/41/56/1123264156.db2.gz IGMWPDFRSHBHOV-QGZVFWFLSA-N 0 3 267.372 3.868 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(C)cc1[O-] ZINC000850481642 1123273230 /nfs/dbraw/zinc/27/32/30/1123273230.db2.gz IHMFWOAETPCYHH-HOCLYGCPSA-N 0 3 284.403 3.940 20 10 CHCDHN CC[C@H]([NH2+]CCC1CC(OC)C1)c1ccc(C)cc1[O-] ZINC000850481708 1123273608 /nfs/dbraw/zinc/27/36/08/1123273608.db2.gz JCRSVIXJCGAIRZ-XUJLQICISA-N 0 3 277.408 3.556 20 10 CHCDHN CSCC1(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000850505902 1123275869 /nfs/dbraw/zinc/27/58/69/1123275869.db2.gz CQDWDULTTQGCGC-LLVKDONJSA-N 0 3 283.412 3.715 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1[O-] ZINC000850531490 1123285206 /nfs/dbraw/zinc/28/52/06/1123285206.db2.gz JXTHCYKIJILNCU-PVAVHDDUSA-N 0 3 297.398 3.616 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(COC)cs1)c1ccccc1[O-] ZINC000850533483 1123286303 /nfs/dbraw/zinc/28/63/03/1123286303.db2.gz ZQAFMOIZXJAQBN-HNNXBMFYSA-N 0 3 291.416 3.841 20 10 CHCDHN C[C@@H]1[C@H](C)SCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001204768499 1123419942 /nfs/dbraw/zinc/41/99/42/1123419942.db2.gz JTMQJDLPADYMKL-MUHKLVGJSA-N 0 3 290.476 3.592 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC001237681084 1129123316 /nfs/dbraw/zinc/12/33/16/1129123316.db2.gz KYLCTESTTFMLEQ-BETUJISGSA-N 0 3 279.811 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC001237681084 1129123317 /nfs/dbraw/zinc/12/33/17/1129123317.db2.gz KYLCTESTTFMLEQ-BETUJISGSA-N 0 3 279.811 3.976 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1CSC1 ZINC000895422622 1123478841 /nfs/dbraw/zinc/47/88/41/1123478841.db2.gz KEJUUYVGRQHBPV-UHFFFAOYSA-N 0 3 285.412 3.512 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(C)cc1[O-] ZINC000857080645 1123584873 /nfs/dbraw/zinc/58/48/73/1123584873.db2.gz JZBDXYIHDCYYFO-WCQYABFASA-N 0 3 269.335 3.787 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)c2c1c(F)ccc2[O-] ZINC000857082194 1123586156 /nfs/dbraw/zinc/58/61/56/1123586156.db2.gz UQVBZMUNPQCGOE-KKZNHRDASA-N 0 3 285.309 3.715 20 10 CHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccns1 ZINC000858576476 1123664722 /nfs/dbraw/zinc/66/47/22/1123664722.db2.gz KXHPPLUUAYRLAX-KKZNHRDASA-N 0 3 292.379 3.887 20 10 CHCDHN C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000840772481 1123789509 /nfs/dbraw/zinc/78/95/09/1123789509.db2.gz UPZJMJBJUGXCCH-GJZGRUSLSA-N 0 3 284.403 3.849 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000192785072 1123816534 /nfs/dbraw/zinc/81/65/34/1123816534.db2.gz FXYLHWFVTGJULA-OLZOCXBDSA-N 0 3 299.370 3.575 20 10 CHCDHN Cc1ccc([C@H](C)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000119686948 1123900754 /nfs/dbraw/zinc/90/07/54/1123900754.db2.gz FXGWKPXVVNBFKV-CQSZACIVSA-N 0 3 255.361 3.594 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794791574 1123948805 /nfs/dbraw/zinc/94/88/05/1123948805.db2.gz BAYRQDSUWJACMV-SFHVURJKSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794790938 1123949025 /nfs/dbraw/zinc/94/90/25/1123949025.db2.gz GKORLCDGVHPGCS-SFHVURJKSA-N 0 3 298.430 3.878 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(C)cc1[O-] ZINC000794799141 1123950470 /nfs/dbraw/zinc/95/04/70/1123950470.db2.gz ZAWOPKRJJPIWLC-DOTOQJQBSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794793517 1123950565 /nfs/dbraw/zinc/95/05/65/1123950565.db2.gz OWPGJYWEWYFRHD-DOTOQJQBSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(C)cc1[O-] ZINC000794802150 1123950651 /nfs/dbraw/zinc/95/06/51/1123950651.db2.gz MVAZOZXNXNENQM-RDJZCZTQSA-N 0 3 293.451 3.786 20 10 CHCDHN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794803673 1123954252 /nfs/dbraw/zinc/95/42/52/1123954252.db2.gz ROHLLAQICFWWSD-IIAWOOMASA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(C)cc1[O-] ZINC000794812541 1123959012 /nfs/dbraw/zinc/95/90/12/1123959012.db2.gz XCPIDPKFDAHLGN-TZMCWYRMSA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@H]([NH2+]C1CCC(COC)CC1)c1ccccc1[O-] ZINC000840882492 1123971489 /nfs/dbraw/zinc/97/14/89/1123971489.db2.gz WATUTFCQDNAQMC-XUJLQICISA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1cc(C)c(C[N@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000303460209 1124005907 /nfs/dbraw/zinc/00/59/07/1124005907.db2.gz LHHCBOWGIAFVDM-UHFFFAOYSA-N 0 3 269.388 3.949 20 10 CHCDHN Cc1cc(C)c(C[N@@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000303460209 1124005912 /nfs/dbraw/zinc/00/59/12/1124005912.db2.gz LHHCBOWGIAFVDM-UHFFFAOYSA-N 0 3 269.388 3.949 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@H](C)c1ccco1 ZINC000840910477 1124016096 /nfs/dbraw/zinc/01/60/96/1124016096.db2.gz NNVKXJULWWUDIL-CQSZACIVSA-N 0 3 272.392 3.847 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccccc1[O-] ZINC000866478985 1124071131 /nfs/dbraw/zinc/07/11/31/1124071131.db2.gz NRMUEPMIPMEFGF-GOSISDBHSA-N 0 3 297.398 3.706 20 10 CHCDHN CC[C@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1[O-] ZINC000121092279 1124075390 /nfs/dbraw/zinc/07/53/90/1124075390.db2.gz DHFSTJPLDNYVRJ-KRWDZBQOSA-N 0 3 267.372 3.600 20 10 CHCDHN C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866623095 1124091040 /nfs/dbraw/zinc/09/10/40/1124091040.db2.gz RYIGPSCHCZOKDR-XJKSGUPXSA-N 0 3 275.392 3.535 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c([O-])c1 ZINC000866622962 1124091150 /nfs/dbraw/zinc/09/11/50/1124091150.db2.gz KTNYAKULLASEAQ-RHSMWYFYSA-N 0 3 289.419 3.843 20 10 CHCDHN C[C@H](NCc1ccccc1O)c1cccc(F)c1F ZINC000121930028 1124451729 /nfs/dbraw/zinc/45/17/29/1124451729.db2.gz JQIPBZBZWYQULN-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN CC[C@@H](NCc1c(F)cccc1OC)c1ccccc1O ZINC001120345259 1131273498 /nfs/dbraw/zinc/27/34/98/1131273498.db2.gz SYKKOWOFPKOQSJ-OAHLLOKOSA-N 0 3 289.350 3.781 20 10 CHCDHN COCC(C)(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000872104743 1124682566 /nfs/dbraw/zinc/68/25/66/1124682566.db2.gz OIHQXTYCWIXSBO-YPMHNXCESA-N 0 3 295.398 3.732 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c([O-])c1 ZINC000872259659 1124699426 /nfs/dbraw/zinc/69/94/26/1124699426.db2.gz FPMGZLWAQDJYPL-QGZVFWFLSA-N 0 3 289.419 3.624 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c([O-])c1 ZINC000872259659 1124699430 /nfs/dbraw/zinc/69/94/30/1124699430.db2.gz FPMGZLWAQDJYPL-QGZVFWFLSA-N 0 3 289.419 3.624 20 10 CHCDHN CCC[N@H+](Cc1ccc2c[nH]nc2c1)Cc1ccccc1[O-] ZINC000124037418 1124703266 /nfs/dbraw/zinc/70/32/66/1124703266.db2.gz ZNKHTYQWTXQMOQ-UHFFFAOYSA-N 0 3 295.386 3.681 20 10 CHCDHN CCC[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1ccccc1[O-] ZINC000124037418 1124703274 /nfs/dbraw/zinc/70/32/74/1124703274.db2.gz ZNKHTYQWTXQMOQ-UHFFFAOYSA-N 0 3 295.386 3.681 20 10 CHCDHN CCC[N@@H+](Cc1cccc(F)c1N)Cc1ccccc1[O-] ZINC000876654263 1124967621 /nfs/dbraw/zinc/96/76/21/1124967621.db2.gz AQTFCZZREKVJDB-UHFFFAOYSA-N 0 3 288.366 3.526 20 10 CHCDHN CCC[N@H+](Cc1cccc(F)c1N)Cc1ccccc1[O-] ZINC000876654263 1124967627 /nfs/dbraw/zinc/96/76/27/1124967627.db2.gz AQTFCZZREKVJDB-UHFFFAOYSA-N 0 3 288.366 3.526 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])c1ccc(OC)cc1 ZINC000876883702 1124986509 /nfs/dbraw/zinc/98/65/09/1124986509.db2.gz FVZWOGMJCOCMHJ-QGZVFWFLSA-N 0 3 285.387 3.950 20 10 CHCDHN COc1ccc(F)cc1[C@@H](C)NCc1ccc(C)cc1O ZINC000876942372 1124991403 /nfs/dbraw/zinc/99/14/03/1124991403.db2.gz XPXFZBJLZGJWHB-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1csc(CCCC[NH2+]Cc2c(C)cccc2[O-])n1 ZINC000877003520 1124996667 /nfs/dbraw/zinc/99/66/67/1124996667.db2.gz WFBHWIBSKXGZDG-UHFFFAOYSA-N 0 3 290.432 3.578 20 10 CHCDHN CC[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])CC(F)(F)F ZINC000877589455 1125050439 /nfs/dbraw/zinc/05/04/39/1125050439.db2.gz NOULABBIQBCXBU-LLVKDONJSA-N 0 3 275.314 3.769 20 10 CHCDHN C[C@H](C[N@@H+]1Cc2cccc([O-])c2C1)c1ccc(F)cc1 ZINC000877703087 1125065754 /nfs/dbraw/zinc/06/57/54/1125065754.db2.gz QXOZJTFVKPLWPS-GFCCVEGCSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@H](C[N@H+]1Cc2cccc([O-])c2C1)c1ccc(F)cc1 ZINC000877703087 1125065761 /nfs/dbraw/zinc/06/57/61/1125065761.db2.gz QXOZJTFVKPLWPS-GFCCVEGCSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@@H](C[N@@H+]1Cc2cccc([O-])c2C1)c1ccc(F)cc1 ZINC000877703088 1125065827 /nfs/dbraw/zinc/06/58/27/1125065827.db2.gz QXOZJTFVKPLWPS-LBPRGKRZSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@@H](C[N@H+]1Cc2cccc([O-])c2C1)c1ccc(F)cc1 ZINC000877703088 1125065833 /nfs/dbraw/zinc/06/58/33/1125065833.db2.gz QXOZJTFVKPLWPS-LBPRGKRZSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)C1CCSCC1)c1ccccc1[O-] ZINC000877755669 1125071527 /nfs/dbraw/zinc/07/15/27/1125071527.db2.gz KWPAHUYBZNFWQH-VXGBXAGGSA-N 0 3 265.422 3.575 20 10 CHCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1C ZINC000877756357 1125071692 /nfs/dbraw/zinc/07/16/92/1125071692.db2.gz IILBCEIPBFBBOT-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(F)c1 ZINC000877757298 1125074628 /nfs/dbraw/zinc/07/46/28/1125074628.db2.gz IHQSBOAQIVLYKK-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1Cl ZINC000877758338 1125074871 /nfs/dbraw/zinc/07/48/71/1125074871.db2.gz TYWQLALIFNDTBF-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccccc1[O-] ZINC000877757379 1125075316 /nfs/dbraw/zinc/07/53/16/1125075316.db2.gz VCHZDZNJXKVMJW-JTQLQIEISA-N 0 3 274.389 3.577 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(C)c1O ZINC000877757969 1125075410 /nfs/dbraw/zinc/07/54/10/1125075410.db2.gz BAUPGOZJLOCRON-ZDUSSCGKSA-N 0 3 271.360 3.565 20 10 CHCDHN CSc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649149 1125222674 /nfs/dbraw/zinc/22/26/74/1125222674.db2.gz JLKKKSQTMCHHOP-GFCCVEGCSA-N 0 3 273.401 3.965 20 10 CHCDHN COc1cncc(/C=C/CC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879649756 1125222704 /nfs/dbraw/zinc/22/27/04/1125222704.db2.gz GBZMMWAWEBULFB-DYLGSBMWSA-N 0 3 298.386 3.550 20 10 CHCDHN COc1ccccc1CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650637 1125224521 /nfs/dbraw/zinc/22/45/21/1125224521.db2.gz KYYFCVDNYPTVLH-AWEZNQCLSA-N 0 3 285.387 3.684 20 10 CHCDHN CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228675605 1125251111 /nfs/dbraw/zinc/25/11/11/1125251111.db2.gz NWHNUNQXKPACRS-GHMZBOCLSA-N 0 3 285.815 3.969 20 10 CHCDHN CCSc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000883236567 1125382215 /nfs/dbraw/zinc/38/22/15/1125382215.db2.gz FIMKRKBQMJTMOD-UHFFFAOYSA-N 0 3 273.401 3.794 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1ccccc1[O-] ZINC000883259377 1125387142 /nfs/dbraw/zinc/38/71/42/1125387142.db2.gz KSNQZBVQMWXQJX-SNVBAGLBSA-N 0 3 257.324 3.724 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@H](C)C(C)(C)C)c1[O-] ZINC000132571668 1125419678 /nfs/dbraw/zinc/41/96/78/1125419678.db2.gz ZUWZCCVFWZOYTD-GFCCVEGCSA-N 0 3 265.397 3.657 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1[O-] ZINC000132571668 1125419679 /nfs/dbraw/zinc/41/96/79/1125419679.db2.gz ZUWZCCVFWZOYTD-GFCCVEGCSA-N 0 3 265.397 3.657 20 10 CHCDHN CC[C@@H]([NH2+]CCCC(C)(F)F)c1ccccc1[O-] ZINC000295946737 1129219379 /nfs/dbraw/zinc/21/93/79/1129219379.db2.gz GRVNBOSKQXNSBE-GFCCVEGCSA-N 0 3 257.324 3.868 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(Cl)cc1)CC2 ZINC000295829078 1129219670 /nfs/dbraw/zinc/21/96/70/1129219670.db2.gz DWCXKQCCKUSZHF-AWEZNQCLSA-N 0 3 273.763 3.823 20 10 CHCDHN Cc1cccc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1O ZINC000245848420 1129229944 /nfs/dbraw/zinc/22/99/44/1129229944.db2.gz LVPSTXSRHAIHQG-QAPCUYQASA-N 0 3 297.398 3.663 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)c([O-])c1 ZINC000734509972 1129310188 /nfs/dbraw/zinc/31/01/88/1129310188.db2.gz PLFGIFUSTDONOJ-LBPRGKRZSA-N 0 3 265.397 3.563 20 10 CHCDHN CCc1ccc(CC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000734487798 1129311007 /nfs/dbraw/zinc/31/10/07/1129311007.db2.gz YSGKRXLZVHPNIX-UHFFFAOYSA-N 0 3 269.388 3.629 20 10 CHCDHN CCc1ccc(CC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000734487798 1129311012 /nfs/dbraw/zinc/31/10/12/1129311012.db2.gz YSGKRXLZVHPNIX-UHFFFAOYSA-N 0 3 269.388 3.629 20 10 CHCDHN CCOc1ccc(C[NH2+]C(C)(C)c2cccs2)c([O-])c1 ZINC000735085473 1129330694 /nfs/dbraw/zinc/33/06/94/1129330694.db2.gz CBSOUTFCHOHNCY-UHFFFAOYSA-N 0 3 291.416 3.877 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1C ZINC000091974503 1129375781 /nfs/dbraw/zinc/37/57/81/1129375781.db2.gz ODYXJXXAOAFNJJ-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1C ZINC000091974503 1129375785 /nfs/dbraw/zinc/37/57/85/1129375785.db2.gz ODYXJXXAOAFNJJ-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000091956831 1129376296 /nfs/dbraw/zinc/37/62/96/1129376296.db2.gz MEJWLLZFFMQQDA-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000091956831 1129376298 /nfs/dbraw/zinc/37/62/98/1129376298.db2.gz MEJWLLZFFMQQDA-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([O-])c1 ZINC000248532672 1129421295 /nfs/dbraw/zinc/42/12/95/1129421295.db2.gz YSCZOSGSBFVGMP-DOFJYSBOSA-N 0 3 293.410 3.937 20 10 CHCDHN COc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000093689634 1129427062 /nfs/dbraw/zinc/42/70/62/1129427062.db2.gz SEURTYUTNDHCMB-RHSMWYFYSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000093689634 1129427063 /nfs/dbraw/zinc/42/70/63/1129427063.db2.gz SEURTYUTNDHCMB-RHSMWYFYSA-N 0 3 297.398 3.779 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2[O-])C12CCC2 ZINC000248894979 1129430502 /nfs/dbraw/zinc/43/05/02/1129430502.db2.gz UPNGIJQUSVSVEX-USXIJHARSA-N 0 3 289.419 3.781 20 10 CHCDHN Cc1ccc2c(c1)CN(Cc1cc(C)c(C)cc1O)CCO2 ZINC000795711508 1129438522 /nfs/dbraw/zinc/43/85/22/1129438522.db2.gz RWLSBZIWASJDGT-UHFFFAOYSA-N 0 3 297.398 3.712 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCC1CC1 ZINC000742382923 1129473143 /nfs/dbraw/zinc/47/31/43/1129473143.db2.gz MXUSLDOCBUCHJZ-UHFFFAOYSA-N 0 3 267.372 3.949 20 10 CHCDHN COC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(C)C ZINC000742373971 1129475271 /nfs/dbraw/zinc/47/52/71/1129475271.db2.gz MJQUVQRXOAGAAY-SFHVURJKSA-N 0 3 299.414 3.820 20 10 CHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000743396698 1129521746 /nfs/dbraw/zinc/52/17/46/1129521746.db2.gz BSKVFQFTCWYBHO-AWEZNQCLSA-N 0 3 287.428 3.873 20 10 CHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000743396698 1129521749 /nfs/dbraw/zinc/52/17/49/1129521749.db2.gz BSKVFQFTCWYBHO-AWEZNQCLSA-N 0 3 287.428 3.873 20 10 CHCDHN CCC[N@H+](CCOc1ccccc1C)Cc1ccccc1[O-] ZINC000743870505 1129541889 /nfs/dbraw/zinc/54/18/89/1129541889.db2.gz UQVUZKFFOLXRNM-UHFFFAOYSA-N 0 3 299.414 3.992 20 10 CHCDHN CCC[N@@H+](CCOc1ccccc1C)Cc1ccccc1[O-] ZINC000743870505 1129541892 /nfs/dbraw/zinc/54/18/92/1129541892.db2.gz UQVUZKFFOLXRNM-UHFFFAOYSA-N 0 3 299.414 3.992 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([O-])c1 ZINC000766330128 1129603296 /nfs/dbraw/zinc/60/32/96/1129603296.db2.gz GXLLEPALNBYOGR-IAOVAPTHSA-N 0 3 291.435 3.943 20 10 CHCDHN CCCC[N@H+](CCc1ccncc1C)Cc1ccccc1[O-] ZINC000828469285 1131386989 /nfs/dbraw/zinc/38/69/89/1131386989.db2.gz FEFIVVKKVDPSER-UHFFFAOYSA-N 0 3 298.430 3.940 20 10 CHCDHN CCCC[N@@H+](CCc1ccncc1C)Cc1ccccc1[O-] ZINC000828469285 1131386994 /nfs/dbraw/zinc/38/69/94/1131386994.db2.gz FEFIVVKKVDPSER-UHFFFAOYSA-N 0 3 298.430 3.940 20 10 CHCDHN CCCC[N@H+](CCc1cccc(C)n1)Cc1ccccc1[O-] ZINC000828469831 1131387476 /nfs/dbraw/zinc/38/74/76/1131387476.db2.gz UEWXUMVNQBIEKJ-UHFFFAOYSA-N 0 3 298.430 3.940 20 10 CHCDHN CCCC[N@@H+](CCc1cccc(C)n1)Cc1ccccc1[O-] ZINC000828469831 1131387482 /nfs/dbraw/zinc/38/74/82/1131387482.db2.gz UEWXUMVNQBIEKJ-UHFFFAOYSA-N 0 3 298.430 3.940 20 10 CHCDHN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000381283943 1129836402 /nfs/dbraw/zinc/83/64/02/1129836402.db2.gz LWNHWCQIMLOKDV-CYBMUJFWSA-N 0 3 274.433 3.973 20 10 CHCDHN CN(C)c1ccc(CN(Cc2cccc(O)c2)C2CC2)cc1 ZINC000768258898 1129846684 /nfs/dbraw/zinc/84/66/84/1129846684.db2.gz YKUNAPLXGWHKLI-UHFFFAOYSA-N 0 3 296.414 3.623 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)CCc2ccccc2)c1[O-] ZINC000768336539 1129852914 /nfs/dbraw/zinc/85/29/14/1129852914.db2.gz VNFQAPAAWJZEKR-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)CCc2ccccc2)c1[O-] ZINC000768336539 1129852918 /nfs/dbraw/zinc/85/29/18/1129852918.db2.gz VNFQAPAAWJZEKR-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000769427672 1129908425 /nfs/dbraw/zinc/90/84/25/1129908425.db2.gz TYLQSAZWCXQNIL-UHFFFAOYSA-N 0 3 297.398 3.694 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000769427672 1129908430 /nfs/dbraw/zinc/90/84/30/1129908430.db2.gz TYLQSAZWCXQNIL-UHFFFAOYSA-N 0 3 297.398 3.694 20 10 CHCDHN COc1cccc(C[N@@H+]2CCCC[C@H]2CC(C)C)c1[O-] ZINC000769483992 1129909562 /nfs/dbraw/zinc/90/95/62/1129909562.db2.gz BFEZILGBIRTLJZ-HNNXBMFYSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc(C[N@H+]2CCCC[C@H]2CC(C)C)c1[O-] ZINC000769483992 1129909565 /nfs/dbraw/zinc/90/95/65/1129909565.db2.gz BFEZILGBIRTLJZ-HNNXBMFYSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000769498647 1129914083 /nfs/dbraw/zinc/91/40/83/1129914083.db2.gz NTUSHKQWBQQRHK-GDBMZVCRSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000769498647 1129914085 /nfs/dbraw/zinc/91/40/85/1129914085.db2.gz NTUSHKQWBQQRHK-GDBMZVCRSA-N 0 3 297.398 3.779 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@@H](C)O1 ZINC000801594586 1129930833 /nfs/dbraw/zinc/93/08/33/1129930833.db2.gz GUKJFJLTGAGNIT-ZBFHGGJFSA-N 0 3 277.408 3.562 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@@H](C)O1 ZINC000801594586 1129930834 /nfs/dbraw/zinc/93/08/34/1129930834.db2.gz GUKJFJLTGAGNIT-ZBFHGGJFSA-N 0 3 277.408 3.562 20 10 CHCDHN CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccccc1[O-] ZINC000770505299 1129947960 /nfs/dbraw/zinc/94/79/60/1129947960.db2.gz NVVMLJHMHIATNF-QGZVFWFLSA-N 0 3 296.414 3.623 20 10 CHCDHN CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccccc1[O-] ZINC000770505299 1129947962 /nfs/dbraw/zinc/94/79/62/1129947962.db2.gz NVVMLJHMHIATNF-QGZVFWFLSA-N 0 3 296.414 3.623 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000770739524 1129957351 /nfs/dbraw/zinc/95/73/51/1129957351.db2.gz CRSQIHHETOSGGZ-NVXWUHKLSA-N 0 3 267.372 3.818 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000802309700 1129991386 /nfs/dbraw/zinc/99/13/86/1129991386.db2.gz UERMYHJGAGWOSP-XGUBFFRZSA-N 0 3 277.408 3.637 20 10 CHCDHN CN(C)c1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000771937341 1129997343 /nfs/dbraw/zinc/99/73/43/1129997343.db2.gz ASSSDRHKOURLNT-SFHVURJKSA-N 0 3 266.388 3.700 20 10 CHCDHN CCN(CC)c1ccc(CN(C)Cc2cccc(O)c2)cc1 ZINC000771935306 1129997418 /nfs/dbraw/zinc/99/74/18/1129997418.db2.gz LVDHNNIOQDFAKX-UHFFFAOYSA-N 0 3 298.430 3.870 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)c([O-])c1 ZINC000903322184 1130154084 /nfs/dbraw/zinc/15/40/84/1130154084.db2.gz AHXHSVZUQQWKRD-WRSVWVKZSA-N 0 3 289.419 3.699 20 10 CHCDHN C[C@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903341306 1130163343 /nfs/dbraw/zinc/16/33/43/1130163343.db2.gz XLAMYHDHSHAZRZ-IFXJQAMLSA-N 0 3 295.430 3.950 20 10 CHCDHN C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cc(F)ccc1[O-] ZINC000903428982 1130175439 /nfs/dbraw/zinc/17/54/39/1130175439.db2.gz RIUFIUOFIMFPSP-GTNSWQLSSA-N 0 3 286.350 3.728 20 10 CHCDHN CSC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000788604472 1130197582 /nfs/dbraw/zinc/19/75/82/1130197582.db2.gz AUQDBBVFBAGDDV-PWSUYJOCSA-N 0 3 295.423 3.955 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1CCCC1 ZINC000789327428 1130243357 /nfs/dbraw/zinc/24/33/57/1130243357.db2.gz OYLKYVDDHUMFEY-KRWDZBQOSA-N 0 3 291.435 3.545 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1CCCC1 ZINC000789327428 1130243362 /nfs/dbraw/zinc/24/33/62/1130243362.db2.gz OYLKYVDDHUMFEY-KRWDZBQOSA-N 0 3 291.435 3.545 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000793304638 1130539611 /nfs/dbraw/zinc/53/96/11/1130539611.db2.gz LUIRFOJBFVJROD-MRXNPFEDSA-N 0 3 289.325 3.838 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000793390908 1130551895 /nfs/dbraw/zinc/55/18/95/1130551895.db2.gz UXNHWRZUJJKRRZ-NSHDSACASA-N 0 3 299.361 3.704 20 10 CHCDHN Cc1cc(C)c(O)c(CN2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000793569089 1130570328 /nfs/dbraw/zinc/57/03/28/1130570328.db2.gz BPYGZIHOAIEHCL-SFHVURJKSA-N 0 3 296.414 3.987 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000811514010 1130620320 /nfs/dbraw/zinc/62/03/20/1130620320.db2.gz ZSNIYCUDKXMZEQ-KRWDZBQOSA-N 0 3 287.403 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c([O-])c1 ZINC000811514010 1130620323 /nfs/dbraw/zinc/62/03/23/1130620323.db2.gz ZSNIYCUDKXMZEQ-KRWDZBQOSA-N 0 3 287.403 3.555 20 10 CHCDHN CO[C@H](C)C1C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999650 1130700453 /nfs/dbraw/zinc/70/04/53/1130700453.db2.gz XRBMWTHZMYHZJM-CQSZACIVSA-N 0 3 297.398 3.526 20 10 CHCDHN CCO[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999723 1130700877 /nfs/dbraw/zinc/70/08/77/1130700877.db2.gz YGKQWDROVGISJK-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN CCO[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999723 1130700883 /nfs/dbraw/zinc/70/08/83/1130700883.db2.gz YGKQWDROVGISJK-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CC(C2CC2)C1 ZINC000812776742 1130713278 /nfs/dbraw/zinc/71/32/78/1130713278.db2.gz YSKQIQDFGWKJSG-UHFFFAOYSA-N 0 3 279.383 3.901 20 10 CHCDHN COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccccc1[O-])[C@H]2C ZINC000781925933 1130748048 /nfs/dbraw/zinc/74/80/48/1130748048.db2.gz CJTVZJDFYBRCEK-KBPBESRZSA-N 0 3 297.398 3.909 20 10 CHCDHN COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccccc1[O-])[C@H]2C ZINC000781925933 1130748052 /nfs/dbraw/zinc/74/80/52/1130748052.db2.gz CJTVZJDFYBRCEK-KBPBESRZSA-N 0 3 297.398 3.909 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2C3CCC2CC3)c([O-])c1 ZINC001235679629 1130767501 /nfs/dbraw/zinc/76/75/01/1130767501.db2.gz HEGVTJUYCUXFLB-UHFFFAOYSA-N 0 3 259.393 3.817 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000695135308 1130793543 /nfs/dbraw/zinc/79/35/43/1130793543.db2.gz CFPZQVUYGIBMQC-MWLCHTKSSA-N 0 3 273.298 3.760 20 10 CHCDHN Cc1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000783505326 1130830791 /nfs/dbraw/zinc/83/07/91/1130830791.db2.gz VTYIMXJVWFWWQE-HNNXBMFYSA-N 0 3 269.388 3.902 20 10 CHCDHN CCC1(CC)[C@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@@H]1OC ZINC000783518668 1130833763 /nfs/dbraw/zinc/83/37/63/1130833763.db2.gz NKBBZSUPYLATIM-WQVCFCJDSA-N 0 3 277.408 3.637 20 10 CHCDHN CCCCn1cc(C[NH2+][C@H](C)c2ccccc2[O-])c(C)n1 ZINC000783525651 1130834747 /nfs/dbraw/zinc/83/47/47/1130834747.db2.gz MPJSQRMGINENDS-CQSZACIVSA-N 0 3 287.407 3.548 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000783592152 1130841656 /nfs/dbraw/zinc/84/16/56/1130841656.db2.gz DGEMNQLAZUNGGF-DFBGVHRSSA-N 0 3 263.356 3.542 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000783592152 1130841664 /nfs/dbraw/zinc/84/16/64/1130841664.db2.gz DGEMNQLAZUNGGF-DFBGVHRSSA-N 0 3 263.356 3.542 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCc3c(N)cccc3C2)c([O-])c1 ZINC001236365658 1130920802 /nfs/dbraw/zinc/92/08/02/1130920802.db2.gz PRRKYUJBDZBSKU-UHFFFAOYSA-N 0 3 296.414 3.656 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCc3c(N)cccc3C2)c([O-])c1 ZINC001236365658 1130920807 /nfs/dbraw/zinc/92/08/07/1130920807.db2.gz PRRKYUJBDZBSKU-UHFFFAOYSA-N 0 3 296.414 3.656 20 10 CHCDHN Cc1cccc(CCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000797016981 1130953290 /nfs/dbraw/zinc/95/32/90/1130953290.db2.gz MRYYNBCNXJXZOW-ZDUSSCGKSA-N 0 3 288.366 3.518 20 10 CHCDHN CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000797027763 1130954016 /nfs/dbraw/zinc/95/40/16/1130954016.db2.gz VHCLCYLZTCMZDE-IFXJQAMLSA-N 0 3 299.414 3.647 20 10 CHCDHN Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000797061046 1130957800 /nfs/dbraw/zinc/95/78/00/1130957800.db2.gz MYYQTFOUSSLXFW-ZRGWGRIASA-N 0 3 299.414 3.782 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001236783276 1131005707 /nfs/dbraw/zinc/00/57/07/1131005707.db2.gz JOFIJURIRBJKTF-AWEZNQCLSA-N 0 3 287.325 3.524 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c([O-])c1 ZINC001236783276 1131005711 /nfs/dbraw/zinc/00/57/11/1131005711.db2.gz JOFIJURIRBJKTF-AWEZNQCLSA-N 0 3 287.325 3.524 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC001236790843 1131005797 /nfs/dbraw/zinc/00/57/97/1131005797.db2.gz YJITVLGDBYTUPO-QGZVFWFLSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([O-])c1 ZINC001236790843 1131005801 /nfs/dbraw/zinc/00/58/01/1131005801.db2.gz YJITVLGDBYTUPO-QGZVFWFLSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[NH+]2CCc3ccccc3CC2)c([O-])c1 ZINC001236786738 1131006346 /nfs/dbraw/zinc/00/63/46/1131006346.db2.gz HUSFOCXQTDJCBJ-UHFFFAOYSA-N 0 3 281.399 3.555 20 10 CHCDHN CCc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC001236789659 1131007237 /nfs/dbraw/zinc/00/72/37/1131007237.db2.gz CUELXOFGMMWPTP-AWEZNQCLSA-N 0 3 281.399 3.901 20 10 CHCDHN CCc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC001236789659 1131007241 /nfs/dbraw/zinc/00/72/41/1131007241.db2.gz CUELXOFGMMWPTP-AWEZNQCLSA-N 0 3 281.399 3.901 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001236786811 1131007348 /nfs/dbraw/zinc/00/73/48/1131007348.db2.gz PKRPRRZZAJEXSX-HUUCEWRRSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001236786811 1131007349 /nfs/dbraw/zinc/00/73/49/1131007349.db2.gz PKRPRRZZAJEXSX-HUUCEWRRSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(CN2Cc3cccc(C)c3C2)c(O)c1 ZINC001236784026 1131007403 /nfs/dbraw/zinc/00/74/03/1131007403.db2.gz RDVMYLFJTCAMCL-UHFFFAOYSA-N 0 3 267.372 3.779 20 10 CHCDHN CCc1ccc(C[NH+]2CC3CCC(CC3)C2)c([O-])c1 ZINC001236792975 1131008865 /nfs/dbraw/zinc/00/88/65/1131008865.db2.gz URARQRNGFXANEE-UHFFFAOYSA-N 0 3 259.393 3.577 20 10 CHCDHN COC1(C)CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236826671 1131016182 /nfs/dbraw/zinc/01/61/82/1131016182.db2.gz LMFYCPJVOUFCFR-UHFFFAOYSA-N 0 3 285.387 3.546 20 10 CHCDHN CC(C)C1([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000815647602 1131016629 /nfs/dbraw/zinc/01/66/29/1131016629.db2.gz PGUDZWBDTYDRFV-ZYHUDNBSSA-N 0 3 263.356 3.858 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2cc3ccccc3cc2[O-])cn1 ZINC001236837629 1131018028 /nfs/dbraw/zinc/01/80/28/1131018028.db2.gz RTVGSCYJGJFEOZ-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2cc3ccccc3cc2[O-])cn1 ZINC001236837629 1131018033 /nfs/dbraw/zinc/01/80/33/1131018033.db2.gz RTVGSCYJGJFEOZ-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccc(CN(C)Cc2cc3ccccc3cc2O)cn1 ZINC001236837629 1131018041 /nfs/dbraw/zinc/01/80/41/1131018041.db2.gz RTVGSCYJGJFEOZ-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN CCOC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236841854 1131020575 /nfs/dbraw/zinc/02/05/75/1131020575.db2.gz PUKPEHJDMBXBHU-UHFFFAOYSA-N 0 3 285.387 3.546 20 10 CHCDHN Cc1cccc(CN2CCc3cccc(O)c3C2)c1Cl ZINC001236857966 1131023034 /nfs/dbraw/zinc/02/30/34/1131023034.db2.gz MCRPWNMDMJTUKD-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CC(C)c1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC001237049995 1131039520 /nfs/dbraw/zinc/03/95/20/1131039520.db2.gz VJOMOGJUEMARRJ-KBPBESRZSA-N 0 3 261.409 3.994 20 10 CHCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000798502156 1131039570 /nfs/dbraw/zinc/03/95/70/1131039570.db2.gz WROTWMQIRJHYER-SHTZXODSSA-N 0 3 297.398 3.745 20 10 CHCDHN CC(C)c1ccc(CN2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001237046121 1131040119 /nfs/dbraw/zinc/04/01/19/1131040119.db2.gz PUAZQPSIBSNADN-UHFFFAOYSA-N 0 3 281.346 3.747 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)c([O-])c1 ZINC001237050739 1131040278 /nfs/dbraw/zinc/04/02/78/1131040278.db2.gz WPUFTBYEAFBIFM-INIZCTEOSA-N 0 3 281.371 3.505 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC[C@](C)(F)C2)c([O-])c1 ZINC001237050739 1131040283 /nfs/dbraw/zinc/04/02/83/1131040283.db2.gz WPUFTBYEAFBIFM-INIZCTEOSA-N 0 3 281.371 3.505 20 10 CHCDHN CC[N@H+](Cc1ccc(C(C)C)cc1[O-])C1CCOCC1 ZINC001237052921 1131042535 /nfs/dbraw/zinc/04/25/35/1131042535.db2.gz FIXFGUPSTNMWTA-UHFFFAOYSA-N 0 3 277.408 3.517 20 10 CHCDHN CC[N@@H+](Cc1ccc(C(C)C)cc1[O-])C1CCOCC1 ZINC001237052921 1131042543 /nfs/dbraw/zinc/04/25/43/1131042543.db2.gz FIXFGUPSTNMWTA-UHFFFAOYSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H](C)CC23CC3)c([O-])c1 ZINC001237054629 1131043044 /nfs/dbraw/zinc/04/30/44/1131043044.db2.gz DKCKECPGOFXPHK-ZDUSSCGKSA-N 0 3 259.393 3.890 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H](C)CC23CC3)c([O-])c1 ZINC001237054629 1131043048 /nfs/dbraw/zinc/04/30/48/1131043048.db2.gz DKCKECPGOFXPHK-ZDUSSCGKSA-N 0 3 259.393 3.890 20 10 CHCDHN CCO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237053490 1131043164 /nfs/dbraw/zinc/04/31/64/1131043164.db2.gz LNRWPFILABCGPR-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CCO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237053490 1131043170 /nfs/dbraw/zinc/04/31/70/1131043170.db2.gz LNRWPFILABCGPR-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c([O-])c1 ZINC001237054996 1131043707 /nfs/dbraw/zinc/04/37/07/1131043707.db2.gz LEWXRFIDTMPMHR-UHFFFAOYSA-N 0 3 291.435 3.905 20 10 CHCDHN CC[C@@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237135069 1131054350 /nfs/dbraw/zinc/05/43/50/1131054350.db2.gz FHNONMATBNKKAW-SECBINFHSA-N 0 3 261.287 3.641 20 10 CHCDHN CC[C@@H](C)[N@H+](C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237135069 1131054343 /nfs/dbraw/zinc/05/43/43/1131054343.db2.gz FHNONMATBNKKAW-SECBINFHSA-N 0 3 261.287 3.641 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC12CCCC2 ZINC001237135191 1131056363 /nfs/dbraw/zinc/05/63/63/1131056363.db2.gz GMZNJSOWGKMTGU-UHFFFAOYSA-N 0 3 285.309 3.930 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC12CCCC2 ZINC001237135191 1131056368 /nfs/dbraw/zinc/05/63/68/1131056368.db2.gz GMZNJSOWGKMTGU-UHFFFAOYSA-N 0 3 285.309 3.930 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCCCC12CC2 ZINC001237140307 1131057393 /nfs/dbraw/zinc/05/73/93/1131057393.db2.gz JANNFGXJLUIIBL-UHFFFAOYSA-N 0 3 285.309 3.930 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCCCC12CC2 ZINC001237140307 1131057399 /nfs/dbraw/zinc/05/73/99/1131057399.db2.gz JANNFGXJLUIIBL-UHFFFAOYSA-N 0 3 285.309 3.930 20 10 CHCDHN Oc1ccc(C(F)(F)F)cc1CN1CCCCC12CC2 ZINC001237140307 1131057401 /nfs/dbraw/zinc/05/74/01/1131057401.db2.gz JANNFGXJLUIIBL-UHFFFAOYSA-N 0 3 285.309 3.930 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CC2CCC1CC2 ZINC001237140324 1131058674 /nfs/dbraw/zinc/05/86/74/1131058674.db2.gz JMBCPFOKXVRFET-UHFFFAOYSA-N 0 3 285.309 3.785 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CC2CCC1CC2 ZINC001237140324 1131058679 /nfs/dbraw/zinc/05/86/79/1131058679.db2.gz JMBCPFOKXVRFET-UHFFFAOYSA-N 0 3 285.309 3.785 20 10 CHCDHN CSCCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000798965350 1131066718 /nfs/dbraw/zinc/06/67/18/1131066718.db2.gz ZWEHUNSEYSXANG-UHFFFAOYSA-N 0 3 273.829 3.539 20 10 CHCDHN CSCCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000798965350 1131066723 /nfs/dbraw/zinc/06/67/23/1131066723.db2.gz ZWEHUNSEYSXANG-UHFFFAOYSA-N 0 3 273.829 3.539 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)CCCc1ccccc1 ZINC001237489534 1131103947 /nfs/dbraw/zinc/10/39/47/1131103947.db2.gz IPSDHEBOWRAION-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)CCCc1ccccc1 ZINC001237489534 1131103950 /nfs/dbraw/zinc/10/39/50/1131103950.db2.gz IPSDHEBOWRAION-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001237484328 1131104479 /nfs/dbraw/zinc/10/44/79/1131104479.db2.gz BOVYFMSBXOZXGL-UHFFFAOYSA-N 0 3 297.398 3.744 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccccc1[O-] ZINC000799728017 1131105451 /nfs/dbraw/zinc/10/54/51/1131105451.db2.gz DORJZTUYJLJSIA-ZDUSSCGKSA-N 0 3 280.371 3.767 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cc(F)ccc1[O-] ZINC000799727863 1131105701 /nfs/dbraw/zinc/10/57/01/1131105701.db2.gz ARDNVVOCADGHHM-GFCCVEGCSA-N 0 3 298.361 3.906 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001237496219 1131106655 /nfs/dbraw/zinc/10/66/55/1131106655.db2.gz XEKDFCDBZCNCBE-HUUCEWRRSA-N 0 3 259.393 3.713 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001237496219 1131106658 /nfs/dbraw/zinc/10/66/58/1131106658.db2.gz XEKDFCDBZCNCBE-HUUCEWRRSA-N 0 3 259.393 3.713 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000816619175 1131116128 /nfs/dbraw/zinc/11/61/28/1131116128.db2.gz VOYRCSAZSVGZEG-KRWDZBQOSA-N 0 3 285.362 3.815 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC001237681800 1131127033 /nfs/dbraw/zinc/12/70/33/1131127033.db2.gz SHTUNMIUTPVTPO-LLVKDONJSA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC001237681800 1131127037 /nfs/dbraw/zinc/12/70/37/1131127037.db2.gz SHTUNMIUTPVTPO-LLVKDONJSA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](F)CC2)c1[O-] ZINC001237681345 1131127100 /nfs/dbraw/zinc/12/71/00/1131127100.db2.gz NGPQOEVINWWBFH-ZDUSSCGKSA-N 0 3 271.763 3.678 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](F)CC2)c1[O-] ZINC001237681345 1131127103 /nfs/dbraw/zinc/12/71/03/1131127103.db2.gz NGPQOEVINWWBFH-ZDUSSCGKSA-N 0 3 271.763 3.678 20 10 CHCDHN Cc1c(Cl)cccc1CN1CCc2cccc(O)c2C1 ZINC001237734677 1131135250 /nfs/dbraw/zinc/13/52/50/1131135250.db2.gz HJPPHEWIUBRZHR-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CCOc1cc(F)cc(CN(C)Cc2ccccc2O)c1 ZINC001237921661 1131151332 /nfs/dbraw/zinc/15/13/32/1131151332.db2.gz UJBDNEUWUQFNGF-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN C[N@H+](Cc1cccc(C2CC2)c1)Cc1ccccc1[O-] ZINC000817406177 1131157888 /nfs/dbraw/zinc/15/78/88/1131157888.db2.gz SCZKXEOBBOOOAM-UHFFFAOYSA-N 0 3 267.372 3.902 20 10 CHCDHN C[N@@H+](Cc1cccc(C2CC2)c1)Cc1ccccc1[O-] ZINC000817406177 1131157890 /nfs/dbraw/zinc/15/78/90/1131157890.db2.gz SCZKXEOBBOOOAM-UHFFFAOYSA-N 0 3 267.372 3.902 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC23CCCCC3)c1[O-] ZINC001238064134 1131166829 /nfs/dbraw/zinc/16/68/29/1131166829.db2.gz OKRVAXNSJSDDKR-UHFFFAOYSA-N 0 3 263.356 3.748 20 10 CHCDHN Cc1ccccc1C[N@@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238060621 1131166963 /nfs/dbraw/zinc/16/69/63/1131166963.db2.gz KOCJNEGCQYNDNG-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1ccccc1C[N@H+](C)Cc1cc(F)cc(C)c1[O-] ZINC001238060621 1131166967 /nfs/dbraw/zinc/16/69/67/1131166967.db2.gz KOCJNEGCQYNDNG-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1[O-] ZINC001238062399 1131167119 /nfs/dbraw/zinc/16/71/19/1131167119.db2.gz PNONNUMUZBVPTL-XJKSGUPXSA-N 0 3 277.383 3.994 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1[O-] ZINC001238062399 1131167120 /nfs/dbraw/zinc/16/71/20/1131167120.db2.gz PNONNUMUZBVPTL-XJKSGUPXSA-N 0 3 277.383 3.994 20 10 CHCDHN CCOc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)ccc1C ZINC001238077533 1131168127 /nfs/dbraw/zinc/16/81/27/1131168127.db2.gz SKKFMDPHHILSTM-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCOc1cc(C[N@H+]2CCc3cccc([O-])c3C2)ccc1C ZINC001238077533 1131168128 /nfs/dbraw/zinc/16/81/28/1131168128.db2.gz SKKFMDPHHILSTM-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CC13CCSCC3)CC2 ZINC000817590624 1131175339 /nfs/dbraw/zinc/17/53/39/1131175339.db2.gz ZFXYGZBXRQYBNP-KBPBESRZSA-N 0 3 289.444 3.502 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccc(C)cc1[O-] ZINC000817958857 1131191337 /nfs/dbraw/zinc/19/13/37/1131191337.db2.gz ZXGZDQFQGFTMAI-QGZVFWFLSA-N 0 3 284.403 3.566 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccc3c1CCCN3)CC2 ZINC000817976055 1131193808 /nfs/dbraw/zinc/19/38/08/1131193808.db2.gz UOQIYTOCLSTAQB-KRWDZBQOSA-N 0 3 294.398 3.527 20 10 CHCDHN CC[C@H]([NH2+][C@H](CN)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000817981256 1131194706 /nfs/dbraw/zinc/19/47/06/1131194706.db2.gz IAZSZOJTAWVLQH-LSDHHAIUSA-N 0 3 296.842 3.604 20 10 CHCDHN C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000818357241 1131211522 /nfs/dbraw/zinc/21/15/22/1131211522.db2.gz XEBLUOHDLWSGJN-JCURWCKSSA-N 0 3 271.335 3.680 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](Cc1ccccc1)OC)c1ccccc1[O-] ZINC000824590762 1131476722 /nfs/dbraw/zinc/47/67/22/1131476722.db2.gz PJDMMTMOMWCRHD-WMZOPIPTSA-N 0 3 299.414 3.691 20 10 CHCDHN C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000824716151 1131480966 /nfs/dbraw/zinc/48/09/66/1131480966.db2.gz SHSSECGJKNTKDH-MWLCHTKSSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000824716151 1131480969 /nfs/dbraw/zinc/48/09/69/1131480969.db2.gz SHSSECGJKNTKDH-MWLCHTKSSA-N 0 3 291.288 3.694 20 10 CHCDHN Cc1c(CN2CCCC[C@@H](F)C2)c2ccccc2n1C ZINC001138252812 1131482606 /nfs/dbraw/zinc/48/26/06/1131482606.db2.gz VOWOEZLIPWAZDS-CQSZACIVSA-N 0 3 274.383 3.811 20 10 CHCDHN CC[C@H]([NH2+]C[C@@](C)(OC)c1ccccc1)c1ccccc1[O-] ZINC000824780329 1131484282 /nfs/dbraw/zinc/48/42/82/1131484282.db2.gz KMYRLARPSHJOKL-PKOBYXMFSA-N 0 3 299.414 3.995 20 10 CHCDHN CC[C@H]([NH2+]C[C@](C)(OC)c1ccccc1)c1ccccc1[O-] ZINC000824780326 1131484314 /nfs/dbraw/zinc/48/43/14/1131484314.db2.gz KMYRLARPSHJOKL-HKUYNNGSSA-N 0 3 299.414 3.995 20 10 CHCDHN CC[N@H+](Cc1cccc2c1ccn2C)Cc1ccccc1[O-] ZINC001139160935 1131589144 /nfs/dbraw/zinc/58/91/44/1131589144.db2.gz ARDDQXPOEWITHR-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN CC[N@@H+](Cc1cccc2c1ccn2C)Cc1ccccc1[O-] ZINC001139160935 1131589148 /nfs/dbraw/zinc/58/91/48/1131589148.db2.gz ARDDQXPOEWITHR-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN Cc1ccc(C)c(CN2CCc3ccc(F)cc3C2)c1O ZINC001140182508 1131674086 /nfs/dbraw/zinc/67/40/86/1131674086.db2.gz TULOQKDKZZRUNT-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(c3ccccc3)CC1)CC2 ZINC000834501825 1131681017 /nfs/dbraw/zinc/68/10/17/1131681017.db2.gz KBURDYXUFHWWJH-MRXNPFEDSA-N 0 3 279.383 3.701 20 10 CHCDHN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000846183993 1131697119 /nfs/dbraw/zinc/69/71/19/1131697119.db2.gz LLPPMKUDFJFFQF-CWRNSKLLSA-N 0 3 279.424 3.538 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834769404 1131704272 /nfs/dbraw/zinc/70/42/72/1131704272.db2.gz MPQVSGIBSZBBTC-VYDXJSESSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCc1ccccc1F)CC2 ZINC000834790594 1131705362 /nfs/dbraw/zinc/70/53/62/1131705362.db2.gz STEMGNKTEUQWAR-MRXNPFEDSA-N 0 3 285.362 3.741 20 10 CHCDHN CC[C@H]([NH2+]CCCC1CCOCC1)c1ccc(C)cc1[O-] ZINC000834818856 1131707490 /nfs/dbraw/zinc/70/74/90/1131707490.db2.gz QFHKTCWGXNJXCP-KRWDZBQOSA-N 0 3 291.435 3.948 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])ccn1 ZINC000834860927 1131713863 /nfs/dbraw/zinc/71/38/63/1131713863.db2.gz VOQALEVMSBBVQP-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN C[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1(Cl)Cl ZINC000834884049 1131717803 /nfs/dbraw/zinc/71/78/03/1131717803.db2.gz IRVJOGHYFHNFAC-GWCFXTLKSA-N 0 3 286.202 3.553 20 10 CHCDHN COCC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CCCC1 ZINC000834906271 1131729282 /nfs/dbraw/zinc/72/92/82/1131729282.db2.gz NUHKAAKNNBIGDY-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000834908202 1131730830 /nfs/dbraw/zinc/73/08/30/1131730830.db2.gz BTUWYVZZPFIKEU-LSDHHAIUSA-N 0 3 291.435 3.865 20 10 CHCDHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1cccnc1 ZINC000835036718 1131761686 /nfs/dbraw/zinc/76/16/86/1131761686.db2.gz QMLDXOOEVKCNNM-ZDTYVGOBSA-N 0 3 281.403 3.512 20 10 CHCDHN C[C@H]1CCCCN1Cc1ccc(N(C)C)cc1Cl ZINC001140921365 1131962583 /nfs/dbraw/zinc/96/25/83/1131962583.db2.gz CFZNJPOUGOLYIJ-LBPRGKRZSA-N 0 3 266.816 3.780 20 10 CHCDHN CN(C)c1ccc(CN2CCC(CF)CC2)c(Cl)c1 ZINC001140924668 1131965135 /nfs/dbraw/zinc/96/51/35/1131965135.db2.gz LMOQLKZYBUWBBR-UHFFFAOYSA-N 0 3 284.806 3.588 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC001140950210 1131970133 /nfs/dbraw/zinc/97/01/33/1131970133.db2.gz VRILDJFXBBJDGN-CQSZACIVSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC001140950210 1131970143 /nfs/dbraw/zinc/97/01/43/1131970143.db2.gz VRILDJFXBBJDGN-CQSZACIVSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c([O-])c1 ZINC001140957699 1131973348 /nfs/dbraw/zinc/97/33/48/1131973348.db2.gz JUMZGLTYDQKEAO-UHFFFAOYSA-N 0 3 297.398 3.786 20 10 CHCDHN COc1cccc(CCC[N@H+](C)Cc2ccc(C)cc2[O-])c1 ZINC001140957621 1131973943 /nfs/dbraw/zinc/97/39/43/1131973943.db2.gz FOHRWGQNJJQGTB-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN COc1cccc(CCC[N@@H+](C)Cc2ccc(C)cc2[O-])c1 ZINC001140957621 1131973946 /nfs/dbraw/zinc/97/39/46/1131973946.db2.gz FOHRWGQNJJQGTB-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccccc1[O-] ZINC000036993588 1131985850 /nfs/dbraw/zinc/98/58/50/1131985850.db2.gz WUNCNCKKLKQFEO-SWLSCSKDSA-N 0 3 259.349 3.657 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1cc(F)ccc1[O-] ZINC000840788791 1132288064 /nfs/dbraw/zinc/28/80/64/1132288064.db2.gz TUBSCVGNNAPDBU-FUEDEBDSSA-N 0 3 289.325 3.877 20 10 CHCDHN Cc1ccc(C(C)(C)NCc2ccc(N(C)C)cc2C)cn1 ZINC000840939814 1132310020 /nfs/dbraw/zinc/31/00/20/1132310020.db2.gz RHTDNMZYMGZIMQ-UHFFFAOYSA-N 0 3 297.446 3.789 20 10 CHCDHN COc1ccc(CNCc2cnccc2C(C)(C)C)cc1C ZINC000840959361 1132313135 /nfs/dbraw/zinc/31/31/35/1132313135.db2.gz RBISEQAFOMORIV-UHFFFAOYSA-N 0 3 298.430 3.986 20 10 CHCDHN C[C@@]1(F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1F ZINC001231587626 1132317696 /nfs/dbraw/zinc/31/76/96/1132317696.db2.gz WSISTPCOUCEPBE-IAGOWNOFSA-N 0 3 291.341 3.817 20 10 CHCDHN C[C@@]1(F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1F ZINC001231587626 1132317703 /nfs/dbraw/zinc/31/77/03/1132317703.db2.gz WSISTPCOUCEPBE-IAGOWNOFSA-N 0 3 291.341 3.817 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccccc32)cn1 ZINC001231589065 1132319731 /nfs/dbraw/zinc/31/97/31/1132319731.db2.gz BZHVIZPDTLNOPF-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2c([O-])ccc3ccccc32)cn1 ZINC001231589065 1132319739 /nfs/dbraw/zinc/31/97/39/1132319739.db2.gz BZHVIZPDTLNOPF-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN COc1cccc2[nH]cc(C[N@H+](C)Cc3ccccc3[O-])c21 ZINC001232036925 1132413164 /nfs/dbraw/zinc/41/31/64/1132413164.db2.gz AQOGOUKIMBAOGJ-UHFFFAOYSA-N 0 3 296.370 3.514 20 10 CHCDHN COc1cccc2[nH]cc(C[N@@H+](C)Cc3ccccc3[O-])c21 ZINC001232036925 1132413167 /nfs/dbraw/zinc/41/31/67/1132413167.db2.gz AQOGOUKIMBAOGJ-UHFFFAOYSA-N 0 3 296.370 3.514 20 10 CHCDHN CCc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC001173236615 1132415602 /nfs/dbraw/zinc/41/56/02/1132415602.db2.gz BADXBPXSOIQQDP-CQSZACIVSA-N 0 3 269.388 3.675 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1nccc2ccccc21 ZINC001232250719 1132445547 /nfs/dbraw/zinc/44/55/47/1132445547.db2.gz CKBNMJWTTFGAKQ-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1nccc2ccccc21 ZINC001232250719 1132445551 /nfs/dbraw/zinc/44/55/51/1132445551.db2.gz CKBNMJWTTFGAKQ-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN [O-]c1cc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232267801 1132446355 /nfs/dbraw/zinc/44/63/55/1132446355.db2.gz MEMHKEJRXYANLM-SMDDNHRTSA-N 0 3 295.810 3.906 20 10 CHCDHN [O-]c1cc(O)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232267801 1132446357 /nfs/dbraw/zinc/44/63/57/1132446357.db2.gz MEMHKEJRXYANLM-SMDDNHRTSA-N 0 3 295.810 3.906 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000842929582 1132477175 /nfs/dbraw/zinc/47/71/75/1132477175.db2.gz PFLDLTFKZIZWEK-GBJTYRQASA-N 0 3 259.393 3.848 20 10 CHCDHN C[C@@H]1C[C@H](F)CN1Cc1cc(C(C)(C)C)ccc1O ZINC001233284490 1132594868 /nfs/dbraw/zinc/59/48/68/1132594868.db2.gz WZEFHPWXAFYIOL-RISCZKNCSA-N 0 3 265.372 3.622 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1ccc(N)cc1Cl ZINC001233377004 1132611932 /nfs/dbraw/zinc/61/19/32/1132611932.db2.gz KHHJZCHYSVNELF-UHFFFAOYSA-N 0 3 290.794 3.650 20 10 CHCDHN Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203555574 1133339538 /nfs/dbraw/zinc/33/95/38/1133339538.db2.gz DRCFREUXWALKNL-QGZVFWFLSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203555574 1133339541 /nfs/dbraw/zinc/33/95/41/1133339541.db2.gz DRCFREUXWALKNL-QGZVFWFLSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001203739437 1133362229 /nfs/dbraw/zinc/36/22/29/1133362229.db2.gz JXOPHBKXNRJNJQ-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001203739437 1133362234 /nfs/dbraw/zinc/36/22/34/1133362234.db2.gz JXOPHBKXNRJNJQ-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN CCCOc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204307004 1133433655 /nfs/dbraw/zinc/43/36/55/1133433655.db2.gz FBPFVWNKEYJFIW-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CCCOc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204307004 1133433660 /nfs/dbraw/zinc/43/36/60/1133433660.db2.gz FBPFVWNKEYJFIW-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CCN(Cc1cc(C)c(C)o1)Cc1ccc(N(C)C)cc1 ZINC001204540284 1133458873 /nfs/dbraw/zinc/45/88/73/1133458873.db2.gz UYOOSOZJNJKGGS-UHFFFAOYSA-N 0 3 286.419 3.985 20 10 CHCDHN CC1=C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001208179759 1133898581 /nfs/dbraw/zinc/89/85/81/1133898581.db2.gz BZTRLSXBPHQPQB-GJZGRUSLSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC001208179759 1133898577 /nfs/dbraw/zinc/89/85/77/1133898577.db2.gz BZTRLSXBPHQPQB-GJZGRUSLSA-N 0 3 259.393 3.816 20 10 CHCDHN CC[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000402657301 1134669311 /nfs/dbraw/zinc/66/93/11/1134669311.db2.gz JJSWRISMMWBODV-JQWIXIFHSA-N 0 3 287.325 3.948 20 10 CHCDHN C[C@@H]([NH2+]CCCc1ccccc1)c1ccccc1[O-] ZINC000020122709 171003246 /nfs/dbraw/zinc/00/32/46/171003246.db2.gz HVPBWOHQOVKLLO-CQSZACIVSA-N 0 3 255.361 3.676 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000020146118 171031936 /nfs/dbraw/zinc/03/19/36/171031936.db2.gz BGSQSTRLTWPAOM-CYBMUJFWSA-N 0 3 274.433 3.973 20 10 CHCDHN CC[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000020146035 171032075 /nfs/dbraw/zinc/03/20/75/171032075.db2.gz RBZNWQWZGNVTRW-SFHVURJKSA-N 0 3 268.404 3.994 20 10 CHCDHN CCN(Cc1ccc(N)cc1)Cc1cccc(Cl)c1 ZINC000035361411 172152499 /nfs/dbraw/zinc/15/24/99/172152499.db2.gz NDXVCZROELFDCT-UHFFFAOYSA-N 0 3 274.795 3.944 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000035628530 172307361 /nfs/dbraw/zinc/30/73/61/172307361.db2.gz MNGWXVGCUIVBEY-ZDUSSCGKSA-N 0 3 273.351 3.733 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 ZINC000037363183 260094705 /nfs/dbraw/zinc/09/47/05/260094705.db2.gz VBNJVDGBTPXMKN-NSHDSACASA-N 0 3 289.325 3.751 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1[O-] ZINC000155983542 261111170 /nfs/dbraw/zinc/11/11/70/261111170.db2.gz COXIKLJYSOTAPO-ROUUACIJSA-N 0 3 299.414 3.947 20 10 CHCDHN CC[C@H]([NH2+][C@H](COC)c1ccccc1)c1ccccc1[O-] ZINC000156573508 261126151 /nfs/dbraw/zinc/12/61/51/261126151.db2.gz VCSHDHHASOZJRR-DLBZAZTESA-N 0 3 285.387 3.821 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)c1c(C)noc1C)c1ccccc1[O-] ZINC000156866749 261133947 /nfs/dbraw/zinc/13/39/47/261133947.db2.gz AJVHYHUHAAZGAY-NHYWBVRUSA-N 0 3 288.391 3.841 20 10 CHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)cc1)CC2 ZINC000173228420 261158496 /nfs/dbraw/zinc/15/84/96/261158496.db2.gz IGZRXWSEIHUSNG-IBGZPJMESA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1cccc(CNC2(c3ccccc3F)CC2)c1O ZINC000182400035 261937314 /nfs/dbraw/zinc/93/73/14/261937314.db2.gz GJMAHYCAJTXBGE-UHFFFAOYSA-N 0 3 271.335 3.619 20 10 CHCDHN CC(C)c1nc(CC[NH2+][C@H](C)c2ccccc2[O-])cs1 ZINC000183482887 261977154 /nfs/dbraw/zinc/97/71/54/261977154.db2.gz AGCIJQWFMJHJPK-GFCCVEGCSA-N 0 3 290.432 3.865 20 10 CHCDHN COCc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000184941773 262034908 /nfs/dbraw/zinc/03/49/08/262034908.db2.gz OEDLNXLLFUXCKR-CQSZACIVSA-N 0 3 285.387 3.698 20 10 CHCDHN CCc1noc(CC)c1CN[C@H](C)c1cc(C)ccc1O ZINC000185678448 262065765 /nfs/dbraw/zinc/06/57/65/262065765.db2.gz KOHZZGWTKHGSSX-GFCCVEGCSA-N 0 3 288.391 3.664 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000186155523 262082002 /nfs/dbraw/zinc/08/20/02/262082002.db2.gz YNISFAWPRBAHSP-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@@H]([NH2+]CCCCCSC)c1ccccc1[O-] ZINC000186771037 262109244 /nfs/dbraw/zinc/10/92/44/262109244.db2.gz NRWDXCZFBKZQFH-CQSZACIVSA-N 0 3 267.438 3.966 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000280750776 263064292 /nfs/dbraw/zinc/06/42/92/263064292.db2.gz BQCZFLGKRNKCAS-NWDGAFQWSA-N 0 3 269.335 3.787 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccccc1[O-] ZINC000183326243 327819398 /nfs/dbraw/zinc/81/93/98/327819398.db2.gz JUBUWZTVURLPFU-ZDUSSCGKSA-N 0 3 276.767 3.682 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000185351761 327838241 /nfs/dbraw/zinc/83/82/41/327838241.db2.gz PHGRNITXQXJBFA-UONOGXRCSA-N 0 3 285.387 3.688 20 10 CHCDHN C[C@H](N[C@@H]1COc2c1cccc2Cl)c1ccccc1O ZINC000374681217 328996147 /nfs/dbraw/zinc/99/61/47/328996147.db2.gz ULDPLWJWYYQUBZ-IINYFYTJSA-N 0 3 289.762 3.830 20 10 CHCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])n1 ZINC000180162921 329218292 /nfs/dbraw/zinc/21/82/92/329218292.db2.gz RKUFFXUZOCJKFJ-INIZCTEOSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])n1 ZINC000180162921 329218293 /nfs/dbraw/zinc/21/82/93/329218293.db2.gz RKUFFXUZOCJKFJ-INIZCTEOSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)c1[O-] ZINC000527925539 330296534 /nfs/dbraw/zinc/29/65/34/330296534.db2.gz MLGQMLYJFKPDKF-STQMWFEESA-N 0 3 297.826 3.821 20 10 CHCDHN Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000527989346 330299162 /nfs/dbraw/zinc/29/91/62/330299162.db2.gz YBBAQZIGQAGBHX-IINYFYTJSA-N 0 3 286.350 3.573 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(OC)cc1 ZINC000226582074 333265254 /nfs/dbraw/zinc/26/52/54/333265254.db2.gz RXJWVKPXUXFGOY-MRXNPFEDSA-N 0 3 289.350 3.781 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000226582091 333265278 /nfs/dbraw/zinc/26/52/78/333265278.db2.gz BXNYWCHNTLRGID-AWEZNQCLSA-N 0 3 289.375 3.858 20 10 CHCDHN COCCC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000529638367 333502647 /nfs/dbraw/zinc/50/26/47/333502647.db2.gz RNHYVNJBEKEZNJ-UHFFFAOYSA-N 0 3 297.826 3.603 20 10 CHCDHN CC[C@H]([NH2+]CCCc1nccs1)c1ccccc1[O-] ZINC000274967222 334786007 /nfs/dbraw/zinc/78/60/07/334786007.db2.gz XMRCGALYKJNTDE-ZDUSSCGKSA-N 0 3 276.405 3.522 20 10 CHCDHN CC[C@H]([NH2+]CCC(C)(F)F)c1ccc(C)cc1[O-] ZINC000297422889 522578621 /nfs/dbraw/zinc/57/86/21/522578621.db2.gz UVMAEXZICVCYED-LBPRGKRZSA-N 0 3 257.324 3.787 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCOc3ccccc31)CC2 ZINC000297551419 518203570 /nfs/dbraw/zinc/20/35/70/518203570.db2.gz FRGQRECSVJITRT-HOCLYGCPSA-N 0 3 295.382 3.535 20 10 CHCDHN CC(C)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000045039576 519836255 /nfs/dbraw/zinc/83/62/55/519836255.db2.gz SWWYTNIFHLRHII-UHFFFAOYSA-N 0 3 255.361 3.805 20 10 CHCDHN CCOC(CC[NH2+][C@@H](CC)c1ccc(C)cc1[O-])OCC ZINC000279932902 521629634 /nfs/dbraw/zinc/62/96/34/521629634.db2.gz ATTIUQZOHMNDBC-HNNXBMFYSA-N 0 3 295.423 3.531 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000037668243 522652065 /nfs/dbraw/zinc/65/20/65/522652065.db2.gz ZYUSMJSWSIZVTP-HNNXBMFYSA-N 0 3 286.331 3.541 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1ccccc1[O-] ZINC000274930810 522756148 /nfs/dbraw/zinc/75/61/48/522756148.db2.gz QUTGWAOXVKXKTI-JLJPHGGASA-N 0 3 277.408 3.637 20 10 CHCDHN COCC(C)(C)CCC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000290198180 522807501 /nfs/dbraw/zinc/80/75/01/522807501.db2.gz UKLMGKUMUQMYAA-UHFFFAOYSA-N 0 3 279.424 3.551 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(C)cc1[O-] ZINC000280069716 522814567 /nfs/dbraw/zinc/81/45/67/522814567.db2.gz KYEJNHZGBZLPSG-OAHLLOKOSA-N 0 3 279.424 3.540 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(C)cc1[O-] ZINC000279999749 522817704 /nfs/dbraw/zinc/81/77/04/522817704.db2.gz FWHCILWAJXAJMX-DZGCQCFKSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(C)c1[O-] ZINC000290478319 522965699 /nfs/dbraw/zinc/96/56/99/522965699.db2.gz NYDRXSFBMZJPEA-MRXNPFEDSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000290478319 522965710 /nfs/dbraw/zinc/96/57/10/522965710.db2.gz NYDRXSFBMZJPEA-MRXNPFEDSA-N 0 3 270.376 3.679 20 10 CHCDHN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000036961160 523858948 /nfs/dbraw/zinc/85/89/48/523858948.db2.gz XQNVCDPMAPHTQA-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cccc([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000020146071 524090773 /nfs/dbraw/zinc/09/07/73/524090773.db2.gz UHBRIOKLECCXTI-CQSZACIVSA-N 0 3 284.403 3.612 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCCCO2)c([O-])c1 ZINC000285400520 524329976 /nfs/dbraw/zinc/32/99/76/524329976.db2.gz XCWSSHWPMHQOIJ-HUUCEWRRSA-N 0 3 277.408 3.619 20 10 CHCDHN C[C@@H](NCc1cccc(C(F)(F)F)n1)c1ccccc1O ZINC000296256773 525532923 /nfs/dbraw/zinc/53/29/23/525532923.db2.gz DBXYBZSUZSRRBC-SNVBAGLBSA-N 0 3 296.292 3.657 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c([O-])c1C ZINC000273575675 525730328 /nfs/dbraw/zinc/73/03/28/525730328.db2.gz LSSIXGCFXDSPQO-DNVCBOLYSA-N 0 3 299.414 3.567 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc32)c([O-])c1 ZINC000290459499 525731766 /nfs/dbraw/zinc/73/17/66/525731766.db2.gz WLVYRWRVRVUUMM-ZIAGYGMSSA-N 0 3 283.371 3.527 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](c2ccccc2)C(C)C)c1[O-] ZINC000036967633 526032184 /nfs/dbraw/zinc/03/21/84/526032184.db2.gz GVQVECYXKLDKBR-QGZVFWFLSA-N 0 3 285.387 3.888 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)c1[O-] ZINC000271834522 526036717 /nfs/dbraw/zinc/03/67/17/526036717.db2.gz PORHVRLIPDODJB-ZIAGYGMSSA-N 0 3 285.387 3.683 20 10 CHCDHN COc1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1[O-] ZINC000037075289 526039802 /nfs/dbraw/zinc/03/98/02/526039802.db2.gz TZILYMBYOGNSKD-QGZVFWFLSA-N 0 3 283.371 3.642 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1CC(F)(F)C1 ZINC000277632149 526337851 /nfs/dbraw/zinc/33/78/51/526337851.db2.gz KVYDOBDVQXYUBX-UHFFFAOYSA-N 0 3 289.325 3.947 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cccc3[nH]ccc31)CC2 ZINC000296296905 526368760 /nfs/dbraw/zinc/36/87/60/526368760.db2.gz DKHLOOMTZRYMAM-KRWDZBQOSA-N 0 3 292.382 3.693 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000288451423 526374684 /nfs/dbraw/zinc/37/46/84/526374684.db2.gz MYFYZPYJKFJQLC-DGCLKSJQSA-N 0 3 287.325 3.851 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)CCC(C)(C)C)c([O-])c1 ZINC000237246355 1118492303 /nfs/dbraw/zinc/49/23/03/1118492303.db2.gz XJRSWDORYTWZOM-GFCCVEGCSA-N 0 3 265.397 3.705 20 10 CHCDHN CCCC(O)(CCC)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185500992 1120377855 /nfs/dbraw/zinc/37/78/55/1120377855.db2.gz STTMIQMIOINKBN-GFCCVEGCSA-N 0 3 283.387 3.513 20 10 CHCDHN CCN(C)c1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000773809127 1121864931 /nfs/dbraw/zinc/86/49/31/1121864931.db2.gz NLIGAPVBWKUNTI-ZDUSSCGKSA-N 0 3 286.341 3.527 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000775638221 1122849074 /nfs/dbraw/zinc/84/90/74/1122849074.db2.gz CITFMYRCOGAKES-SNVBAGLBSA-N 0 3 253.773 3.586 20 10 CHCDHN C[C@@]1(CC[NH2+]Cc2cc(F)ccc2[O-])CC1(Cl)Cl ZINC000824969117 1131492304 /nfs/dbraw/zinc/49/23/04/1131492304.db2.gz FBYYWJPIFQRGRK-GFCCVEGCSA-N 0 3 292.181 3.595 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000134225899 1125544121 /nfs/dbraw/zinc/54/41/21/1125544121.db2.gz GPAOPAVVYUVHQH-UHFFFAOYSA-N 0 3 297.276 3.581 20 10 CHCDHN C[C@H](NCc1ccccc1O)c1nc2ccccc2s1 ZINC000134674418 1125565829 /nfs/dbraw/zinc/56/58/29/1125565829.db2.gz YYEIYKCTGGLSDI-NSHDSACASA-N 0 3 284.384 3.853 20 10 CHCDHN CCOc1cccc(C[N@@H+]2[C@@H](C)CC[C@@H]2CC)c1[O-] ZINC000136821611 1125648084 /nfs/dbraw/zinc/64/80/84/1125648084.db2.gz QXRZNKQAVXPVON-JSGCOSHPSA-N 0 3 263.381 3.554 20 10 CHCDHN CCOc1cccc(C[N@H+]2[C@@H](C)CC[C@@H]2CC)c1[O-] ZINC000136821611 1125648086 /nfs/dbraw/zinc/64/80/86/1125648086.db2.gz QXRZNKQAVXPVON-JSGCOSHPSA-N 0 3 263.381 3.554 20 10 CHCDHN C[N@H+](C/C=C\c1ccccc1)Cc1ccccc1[O-] ZINC000220114815 1125699202 /nfs/dbraw/zinc/69/92/02/1125699202.db2.gz SAIXOUIWFJLWOV-YFHOEESVSA-N 0 3 253.345 3.537 20 10 CHCDHN C[N@@H+](C/C=C\c1ccccc1)Cc1ccccc1[O-] ZINC000220114815 1125699208 /nfs/dbraw/zinc/69/92/08/1125699208.db2.gz SAIXOUIWFJLWOV-YFHOEESVSA-N 0 3 253.345 3.537 20 10 CHCDHN CCOC1(C)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000292093477 1125718015 /nfs/dbraw/zinc/71/80/15/1125718015.db2.gz NXIZMBNVMNYDRE-UHFFFAOYSA-N 0 3 299.414 3.936 20 10 CHCDHN C[C@H](NCc1cccnc1)c1ccc(N2CCCCC2)cc1 ZINC000151099386 1126750952 /nfs/dbraw/zinc/75/09/52/1126750952.db2.gz GQRWYARACBTFJC-INIZCTEOSA-N 0 3 295.430 3.923 20 10 CHCDHN CCC[N@H+](Cc1cccc(Cl)n1)Cc1ccccc1[O-] ZINC000174373336 1126769420 /nfs/dbraw/zinc/76/94/20/1126769420.db2.gz DMOLVFQCHVXIFU-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN CCC[N@@H+](Cc1cccc(Cl)n1)Cc1ccccc1[O-] ZINC000174373336 1126769423 /nfs/dbraw/zinc/76/94/23/1126769423.db2.gz DMOLVFQCHVXIFU-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN CC1=C[C@@H](C)C[C@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000811458070 1130610165 /nfs/dbraw/zinc/61/01/65/1130610165.db2.gz TXCROBIXTJNZCR-HIFRSBDPSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=C[C@@H](C)C[C@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000811458070 1130610170 /nfs/dbraw/zinc/61/01/70/1130610170.db2.gz TXCROBIXTJNZCR-HIFRSBDPSA-N 0 3 259.393 3.816 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000183198749 1126882878 /nfs/dbraw/zinc/88/28/78/1126882878.db2.gz TUTJPWQMBPHLHA-KOLCDFICSA-N 0 3 294.395 3.751 20 10 CHCDHN CCOCc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183410241 1126886539 /nfs/dbraw/zinc/88/65/39/1126886539.db2.gz NDPGFEBKXIHRKA-AWEZNQCLSA-N 0 3 285.387 3.780 20 10 CHCDHN C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000183467326 1126887405 /nfs/dbraw/zinc/88/74/05/1126887405.db2.gz WAWHYULJGQOWFP-ZOCIIQOWSA-N 0 3 297.398 3.963 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000183621166 1126889483 /nfs/dbraw/zinc/88/94/83/1126889483.db2.gz FRKSHEDUNGVQRC-KBPBESRZSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000183621147 1126889494 /nfs/dbraw/zinc/88/94/94/1126889494.db2.gz FRKSHEDUNGVQRC-ZIAGYGMSSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587318 1126890138 /nfs/dbraw/zinc/89/01/38/1126890138.db2.gz FQERAZBIWBLTRS-GLJUWKHASA-N 0 3 285.387 3.555 20 10 CHCDHN Cc1cc(O)c(CN(C)[C@@H](C)c2cccnc2)cc1C ZINC000183718262 1126890752 /nfs/dbraw/zinc/89/07/52/1126890752.db2.gz XZCNTVCGXXUZGQ-AWEZNQCLSA-N 0 3 270.376 3.597 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1[O-] ZINC000906594268 1126960958 /nfs/dbraw/zinc/96/09/58/1126960958.db2.gz CTSXMOLYWGBIOE-IUIKQTSFSA-N 0 3 271.335 3.738 20 10 CHCDHN CCO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000193434385 1126969292 /nfs/dbraw/zinc/96/92/92/1126969292.db2.gz NEJCPWXKBJRSHE-KBXCAEBGSA-N 0 3 285.387 3.821 20 10 CHCDHN CC[C@@H](N[C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268849684 1127025976 /nfs/dbraw/zinc/02/59/76/1127025976.db2.gz BHVFMBYLWQAFMS-RTBURBONSA-N 0 3 298.430 3.527 20 10 CHCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000271561299 1127091597 /nfs/dbraw/zinc/09/15/97/1127091597.db2.gz VZOFCLVONFQRLV-MRXNPFEDSA-N 0 3 295.430 3.841 20 10 CHCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)CC(C)(C)C ZINC001237122247 1131056450 /nfs/dbraw/zinc/05/64/50/1131056450.db2.gz HAIJEDKCLYVZPP-UHFFFAOYSA-N 0 3 291.313 3.769 20 10 CHCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)CC(C)(C)C ZINC001237122247 1131056455 /nfs/dbraw/zinc/05/64/55/1131056455.db2.gz HAIJEDKCLYVZPP-UHFFFAOYSA-N 0 3 291.313 3.769 20 10 CHCDHN CC[C@H]([NH2+]CCCc1c(C)noc1C)c1ccccc1[O-] ZINC000156293641 1127137065 /nfs/dbraw/zinc/13/70/65/1127137065.db2.gz OJCGFCKXGGTRIE-INIZCTEOSA-N 0 3 288.391 3.671 20 10 CHCDHN CSc1cccc(F)c1CNCc1cc(C)ccc1O ZINC000285355292 1127223275 /nfs/dbraw/zinc/22/32/75/1127223275.db2.gz ACJIRJRQBQTXFH-UHFFFAOYSA-N 0 3 291.391 3.851 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817412564 1131159919 /nfs/dbraw/zinc/15/99/19/1131159919.db2.gz MTFNBGUNXVSTKJ-LLVKDONJSA-N 0 3 273.298 3.557 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817412564 1131159924 /nfs/dbraw/zinc/15/99/24/1131159924.db2.gz MTFNBGUNXVSTKJ-LLVKDONJSA-N 0 3 273.298 3.557 20 10 CHCDHN CCC[N@H+](Cc1cc(F)cc(C)c1[O-])[C@@H](C)CC ZINC001238056219 1131165015 /nfs/dbraw/zinc/16/50/15/1131165015.db2.gz FUEJGUPMEQNRRJ-LBPRGKRZSA-N 0 3 253.361 3.850 20 10 CHCDHN CCC[N@@H+](Cc1cc(F)cc(C)c1[O-])[C@@H](C)CC ZINC001238056219 1131165017 /nfs/dbraw/zinc/16/50/17/1131165017.db2.gz FUEJGUPMEQNRRJ-LBPRGKRZSA-N 0 3 253.361 3.850 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000226563152 1127411009 /nfs/dbraw/zinc/41/10/09/1127411009.db2.gz OSZUWEZZXMIBPE-HNNXBMFYSA-N 0 3 263.356 3.686 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000226563152 1127411011 /nfs/dbraw/zinc/41/10/11/1127411011.db2.gz OSZUWEZZXMIBPE-HNNXBMFYSA-N 0 3 263.356 3.686 20 10 CHCDHN Cc1ccccc1C[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226585345 1127412398 /nfs/dbraw/zinc/41/23/98/1127412398.db2.gz ZDEOERZXCVYJRK-ZDUSSCGKSA-N 0 3 273.351 3.561 20 10 CHCDHN COCC1(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCC1 ZINC000293731933 1127516366 /nfs/dbraw/zinc/51/63/66/1127516366.db2.gz OLYZJPGLFIIRCI-HNNXBMFYSA-N 0 3 291.435 3.866 20 10 CHCDHN Cc1ccc(O)c(CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000294073745 1127547058 /nfs/dbraw/zinc/54/70/58/1127547058.db2.gz YOAGFSHQZAFEDW-QGZVFWFLSA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1cnccc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294529722 1127581097 /nfs/dbraw/zinc/58/10/97/1127581097.db2.gz GWNGAHGZDHCNQI-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000295102612 1127620501 /nfs/dbraw/zinc/62/05/01/1127620501.db2.gz SZOAOEDEDHUDOI-AAEUAGOBSA-N 0 3 287.325 3.993 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000296275619 1127667174 /nfs/dbraw/zinc/66/71/74/1127667174.db2.gz CKIFILYDWWRDMR-ZWNOBZJWSA-N 0 3 288.416 3.538 20 10 CHCDHN Oc1cccc2c1[C@H](NC1(c3ccccc3F)CC1)CC2 ZINC000296662654 1127680712 /nfs/dbraw/zinc/68/07/12/1127680712.db2.gz FKCZYESQCDITLF-OAHLLOKOSA-N 0 3 283.346 3.798 20 10 CHCDHN COc1cccc(C2([NH2+][C@H]3CCc4cccc([O-])c43)CC2)c1 ZINC000297118454 1127689367 /nfs/dbraw/zinc/68/93/67/1127689367.db2.gz YKZSYICCMSOVEM-INIZCTEOSA-N 0 3 295.382 3.667 20 10 CHCDHN C[N@H+](Cc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000171926635 1127734817 /nfs/dbraw/zinc/73/48/17/1127734817.db2.gz NDEYOZXGTTXPDQ-UHFFFAOYSA-N 0 3 261.752 3.678 20 10 CHCDHN C[N@@H+](Cc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000171926635 1127734819 /nfs/dbraw/zinc/73/48/19/1127734819.db2.gz NDEYOZXGTTXPDQ-UHFFFAOYSA-N 0 3 261.752 3.678 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](C)C2)c1[O-] ZINC000230407288 1127752012 /nfs/dbraw/zinc/75/20/12/1127752012.db2.gz FTIURANCXNKSLK-QWRGUYRKSA-N 0 3 283.799 3.580 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)c([O-])c1 ZINC000231791509 1127854380 /nfs/dbraw/zinc/85/43/80/1127854380.db2.gz PYVKAOSZCBJJSG-ZJUUUORDSA-N 0 3 261.287 3.692 20 10 CHCDHN CCOC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCCC1 ZINC000312325501 1128023577 /nfs/dbraw/zinc/02/35/77/1128023577.db2.gz GTRALQHLPVLUBV-AWEZNQCLSA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)c([O-])c1 ZINC000926915058 1128202397 /nfs/dbraw/zinc/20/23/97/1128202397.db2.gz DMQHDCZNKMPHFU-QGPMSJSTSA-N 0 3 289.419 3.619 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1cc(F)ccc1[O-] ZINC000927011920 1128207938 /nfs/dbraw/zinc/20/79/38/1128207938.db2.gz SGZDHWSSNYCBMO-OCCSQVGLSA-N 0 3 293.382 3.674 20 10 CHCDHN CC[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccccc1[O-] ZINC000927069899 1128215509 /nfs/dbraw/zinc/21/55/09/1128215509.db2.gz ODOTZMVWJSCACP-QILLFSRXSA-N 0 3 289.419 3.638 20 10 CHCDHN CC(C)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778984582 1128673600 /nfs/dbraw/zinc/67/36/00/1128673600.db2.gz GLPZGPACFUWWIW-UHFFFAOYSA-N 0 3 273.351 3.942 20 10 CHCDHN CC(C)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000778984582 1128673602 /nfs/dbraw/zinc/67/36/02/1128673602.db2.gz GLPZGPACFUWWIW-UHFFFAOYSA-N 0 3 273.351 3.942 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+](C1CC1)C1CCCCC1 ZINC000778997010 1128675286 /nfs/dbraw/zinc/67/52/86/1128675286.db2.gz YVJVYYVRIIHLDP-UHFFFAOYSA-N 0 3 263.356 3.828 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000778997010 1128675288 /nfs/dbraw/zinc/67/52/88/1128675288.db2.gz YVJVYYVRIIHLDP-UHFFFAOYSA-N 0 3 263.356 3.828 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000779017797 1128680307 /nfs/dbraw/zinc/68/03/07/1128680307.db2.gz XRPZIUQFVIMCCS-GFCCVEGCSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000779017797 1128680311 /nfs/dbraw/zinc/68/03/11/1128680311.db2.gz XRPZIUQFVIMCCS-GFCCVEGCSA-N 0 3 289.325 3.660 20 10 CHCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779020260 1128683232 /nfs/dbraw/zinc/68/32/32/1128683232.db2.gz LBGSTMVPFPJIGN-UKRRQHHQSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779020260 1128683235 /nfs/dbraw/zinc/68/32/35/1128683235.db2.gz LBGSTMVPFPJIGN-UKRRQHHQSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@@H]1CCC[C@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019095 1128683529 /nfs/dbraw/zinc/68/35/29/1128683529.db2.gz DSLXUECPAYBSNP-NEPJUHHUSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019095 1128683530 /nfs/dbraw/zinc/68/35/30/1128683530.db2.gz DSLXUECPAYBSNP-NEPJUHHUSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000779022976 1128686966 /nfs/dbraw/zinc/68/69/66/1128686966.db2.gz MZWXBEISTRFVAZ-GOSISDBHSA-N 0 3 267.372 3.556 20 10 CHCDHN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000779022976 1128686968 /nfs/dbraw/zinc/68/69/68/1128686968.db2.gz MZWXBEISTRFVAZ-GOSISDBHSA-N 0 3 267.372 3.556 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000779080897 1128723489 /nfs/dbraw/zinc/72/34/89/1128723489.db2.gz FINZPCFCNDPXLJ-LALPHHSUSA-N 0 3 263.356 3.590 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)c([O-])c1 ZINC000185829255 1117914061 /nfs/dbraw/zinc/91/40/61/1117914061.db2.gz ADJGUEVBYKQSQR-RHSMWYFYSA-N 0 3 291.435 3.683 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC=CCC1 ZINC000779159668 1128760257 /nfs/dbraw/zinc/76/02/57/1128760257.db2.gz PSWVUDMWEFBHMX-UHFFFAOYSA-N 0 3 265.356 3.821 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC=CCC1 ZINC000779159668 1128760260 /nfs/dbraw/zinc/76/02/60/1128760260.db2.gz PSWVUDMWEFBHMX-UHFFFAOYSA-N 0 3 265.356 3.821 20 10 CHCDHN COc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000188797716 1128765117 /nfs/dbraw/zinc/76/51/17/1128765117.db2.gz DWIITAXKAZDMQU-STQMWFEESA-N 0 3 286.375 3.516 20 10 CHCDHN Cc1ccc(C)c(CN2CCC[C@@H]2c2nccs2)c1O ZINC001140182746 1118250532 /nfs/dbraw/zinc/25/05/32/1118250532.db2.gz YTFOSIMJNIYQLO-CQSZACIVSA-N 0 3 288.416 3.803 20 10 CHCDHN CC(C)c1ccc(O)c(CN[C@@H](C)c2ccns2)c1 ZINC001207025454 1118312765 /nfs/dbraw/zinc/31/27/65/1118312765.db2.gz GRWHJSYHNWAAEB-NSHDSACASA-N 0 3 276.405 3.823 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCC(C)(F)F)c([O-])c1 ZINC000297307273 1118620562 /nfs/dbraw/zinc/62/05/62/1118620562.db2.gz MRADEFNUNJTONB-NSHDSACASA-N 0 3 257.324 3.787 20 10 CHCDHN C[N@H+](Cc1cc2cc(F)ccc2o1)Cc1ccccc1[O-] ZINC000091956500 1118837589 /nfs/dbraw/zinc/83/75/89/1118837589.db2.gz BCXSOIJGFCVLKB-UHFFFAOYSA-N 0 3 285.318 3.910 20 10 CHCDHN C[N@@H+](Cc1cc2cc(F)ccc2o1)Cc1ccccc1[O-] ZINC000091956500 1118837593 /nfs/dbraw/zinc/83/75/93/1118837593.db2.gz BCXSOIJGFCVLKB-UHFFFAOYSA-N 0 3 285.318 3.910 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000176673560 1119091921 /nfs/dbraw/zinc/09/19/21/1119091921.db2.gz KKDDLCSGDOSSES-CQSZACIVSA-N 0 3 255.361 3.975 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000176673560 1119091925 /nfs/dbraw/zinc/09/19/25/1119091925.db2.gz KKDDLCSGDOSSES-CQSZACIVSA-N 0 3 255.361 3.975 20 10 CHCDHN Cc1ccc([C@@H](C)[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000179557069 1119751691 /nfs/dbraw/zinc/75/16/91/1119751691.db2.gz BUSWAMKOELKSDA-CQSZACIVSA-N 0 3 255.361 3.894 20 10 CHCDHN Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000179557069 1119751694 /nfs/dbraw/zinc/75/16/94/1119751694.db2.gz BUSWAMKOELKSDA-CQSZACIVSA-N 0 3 255.361 3.894 20 10 CHCDHN CN(Cc1ccc[nH]1)Cc1ccc(N2CCCCC2)cc1 ZINC000180173552 1119939485 /nfs/dbraw/zinc/93/94/85/1119939485.db2.gz AEYCFMOHMCNWMB-UHFFFAOYSA-N 0 3 283.419 3.637 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)CC2 ZINC000695117520 1120109052 /nfs/dbraw/zinc/10/90/52/1120109052.db2.gz ANERKMCNSUYCJC-RYUDHWBXSA-N 0 3 267.319 3.547 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCC1=CCCCC1)CC2 ZINC000311903461 1120117030 /nfs/dbraw/zinc/11/70/30/1120117030.db2.gz QDPIPFLSKXVZSW-OAHLLOKOSA-N 0 3 257.377 3.860 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC(F)(F)CC1 ZINC001236841397 1128904194 /nfs/dbraw/zinc/90/41/94/1128904194.db2.gz YZSUARSZHWCJSS-UHFFFAOYSA-N 0 3 277.314 3.777 20 10 CHCDHN Cc1cc(CN[C@H](C)c2cccc(O)c2)ccc1N(C)C ZINC000282325400 1120346532 /nfs/dbraw/zinc/34/65/32/1120346532.db2.gz NUCMZPKTGIXDAV-CQSZACIVSA-N 0 3 284.403 3.617 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCC3(CC3)CC1)CC2 ZINC000695716606 1120404894 /nfs/dbraw/zinc/40/48/94/1120404894.db2.gz LFEZIKUZFBANFE-CQSZACIVSA-N 0 3 257.377 3.692 20 10 CHCDHN CCCC[N@H+](CCc1cccnc1)Cc1ccccc1[O-] ZINC000282334735 1120416960 /nfs/dbraw/zinc/41/69/60/1120416960.db2.gz BGDQSFPJKXHIKH-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN CCCC[N@@H+](CCc1cccnc1)Cc1ccccc1[O-] ZINC000282334735 1120416962 /nfs/dbraw/zinc/41/69/62/1120416962.db2.gz BGDQSFPJKXHIKH-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000188579821 1120459251 /nfs/dbraw/zinc/45/92/51/1120459251.db2.gz KDVTUMLJKOGUIC-IBGZPJMESA-N 0 3 299.414 3.555 20 10 CHCDHN CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000188579821 1120459255 /nfs/dbraw/zinc/45/92/55/1120459255.db2.gz KDVTUMLJKOGUIC-IBGZPJMESA-N 0 3 299.414 3.555 20 10 CHCDHN CCCC[N@H+](CCc1ccccn1)Cc1ccccc1[O-] ZINC000282469144 1120697542 /nfs/dbraw/zinc/69/75/42/1120697542.db2.gz NPVKFJFFDMQLII-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN CCCC[N@@H+](CCc1ccccn1)Cc1ccccc1[O-] ZINC000282469144 1120697543 /nfs/dbraw/zinc/69/75/43/1120697543.db2.gz NPVKFJFFDMQLII-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000313529980 1120748124 /nfs/dbraw/zinc/74/81/24/1120748124.db2.gz MUEQEGMRLKXXDB-CJNGLKHVSA-N 0 3 267.372 3.773 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2cncc(C)c2)cc1 ZINC000181843597 1120903967 /nfs/dbraw/zinc/90/39/67/1120903967.db2.gz PMGMXGDQKJVJDO-HNNXBMFYSA-N 0 3 283.419 3.697 20 10 CHCDHN CO[C@H](C)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000182382081 1128964087 /nfs/dbraw/zinc/96/40/87/1128964087.db2.gz DLCOCQXCHGSMHW-CVEARBPZSA-N 0 3 299.414 3.990 20 10 CHCDHN CO[C@H](C)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000182382081 1128964091 /nfs/dbraw/zinc/96/40/91/1128964091.db2.gz DLCOCQXCHGSMHW-CVEARBPZSA-N 0 3 299.414 3.990 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000064621108 1121201080 /nfs/dbraw/zinc/20/10/80/1121201080.db2.gz PYZWARSKUANIED-GFCCVEGCSA-N 0 3 297.354 3.998 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C(C)(C)COC(C)C)c1[O-] ZINC000840973286 1121319898 /nfs/dbraw/zinc/31/98/98/1121319898.db2.gz HYSLCBCLRUFSTN-UHFFFAOYSA-N 0 3 285.815 3.647 20 10 CHCDHN C[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237120790 1128980564 /nfs/dbraw/zinc/98/05/64/1128980564.db2.gz SCJKSMPALLGNKS-JTQLQIEISA-N 0 3 289.297 3.523 20 10 CHCDHN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237120790 1128980567 /nfs/dbraw/zinc/98/05/67/1128980567.db2.gz SCJKSMPALLGNKS-JTQLQIEISA-N 0 3 289.297 3.523 20 10 CHCDHN C[C@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237120790 1128980570 /nfs/dbraw/zinc/98/05/70/1128980570.db2.gz SCJKSMPALLGNKS-JTQLQIEISA-N 0 3 289.297 3.523 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(C)nc1C ZINC000187100342 1121530564 /nfs/dbraw/zinc/53/05/64/1121530564.db2.gz AHBMKPPRGBPYGS-UHFFFAOYSA-N 0 3 284.403 3.816 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccc(C)nc1C ZINC000187100342 1121530572 /nfs/dbraw/zinc/53/05/72/1121530572.db2.gz AHBMKPPRGBPYGS-UHFFFAOYSA-N 0 3 284.403 3.816 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c([O-])c1 ZINC000248517239 1121573028 /nfs/dbraw/zinc/57/30/28/1121573028.db2.gz PGJLGILSQLLRBW-DAYGRLMNSA-N 0 3 291.435 3.802 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CCC2CC=CC2)c1[O-] ZINC000724195709 1121648097 /nfs/dbraw/zinc/64/80/97/1121648097.db2.gz XPMUUAHPLQLAPX-UHFFFAOYSA-N 0 3 281.783 3.500 20 10 CHCDHN CCC[N@H+](Cc1cccc(F)c1)Cc1ccccc1[O-] ZINC000727831126 1121750945 /nfs/dbraw/zinc/75/09/45/1121750945.db2.gz JGTZWGOERSAZRU-UHFFFAOYSA-N 0 3 273.351 3.944 20 10 CHCDHN CCC[N@@H+](Cc1cccc(F)c1)Cc1ccccc1[O-] ZINC000727831126 1121750948 /nfs/dbraw/zinc/75/09/48/1121750948.db2.gz JGTZWGOERSAZRU-UHFFFAOYSA-N 0 3 273.351 3.944 20 10 CHCDHN CCN(C)c1ccc(CN(C)[C@H](C)c2cccnc2)cc1 ZINC000773808357 1121862922 /nfs/dbraw/zinc/86/29/22/1121862922.db2.gz KVACVQOXAOSNHO-OAHLLOKOSA-N 0 3 283.419 3.731 20 10 CHCDHN CCN(C)c1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000773810000 1121867801 /nfs/dbraw/zinc/86/78/01/1121867801.db2.gz HCMHLFUZKANZKD-CQSZACIVSA-N 0 3 284.403 3.699 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC001180271336 1121972067 /nfs/dbraw/zinc/97/20/67/1121972067.db2.gz ISFPEDDZHKSMQO-UHOFOFEASA-N 0 3 277.383 3.932 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC001180271336 1121972072 /nfs/dbraw/zinc/97/20/72/1121972072.db2.gz ISFPEDDZHKSMQO-UHOFOFEASA-N 0 3 277.383 3.932 20 10 CHCDHN Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])cc1 ZINC001204275663 1122000145 /nfs/dbraw/zinc/00/01/45/1122000145.db2.gz XWBQHJLPQFFNKY-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])cc1 ZINC001204275663 1122000152 /nfs/dbraw/zinc/00/01/52/1122000152.db2.gz XWBQHJLPQFFNKY-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN CCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000070975112 1129024552 /nfs/dbraw/zinc/02/45/52/1129024552.db2.gz UQLHMTMMDZESOA-UHFFFAOYSA-N 0 3 259.349 3.788 20 10 CHCDHN CCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000070975112 1129024557 /nfs/dbraw/zinc/02/45/57/1129024557.db2.gz UQLHMTMMDZESOA-UHFFFAOYSA-N 0 3 259.349 3.788 20 10 CHCDHN C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278721 1122010839 /nfs/dbraw/zinc/01/08/39/1122010839.db2.gz JBQSHTKHCLOVSN-NSHDSACASA-N 0 3 291.778 3.944 20 10 CHCDHN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278721 1122010847 /nfs/dbraw/zinc/01/08/47/1122010847.db2.gz JBQSHTKHCLOVSN-NSHDSACASA-N 0 3 291.778 3.944 20 10 CHCDHN c1cc2c(s1)CN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204326276 1122121312 /nfs/dbraw/zinc/12/13/12/1122121312.db2.gz DSLXHONZGMWZNF-UHFFFAOYSA-N 0 3 298.455 3.907 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC001182929923 1122198604 /nfs/dbraw/zinc/19/86/04/1122198604.db2.gz PMKXXHFWVOEVRB-CYBMUJFWSA-N 0 3 298.224 3.741 20 10 CHCDHN CN(C)c1ccc(CN2CC[C@@H]3C[C@@H]3C2)c(C(F)(F)F)c1 ZINC001183012386 1122199725 /nfs/dbraw/zinc/19/97/25/1122199725.db2.gz RQGIJGXGOQITGY-DGCLKSJQSA-N 0 3 298.352 3.613 20 10 CHCDHN C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccccc1[O-] ZINC000272805549 1122213396 /nfs/dbraw/zinc/21/33/96/1122213396.db2.gz CCRZKXUMJNLOMT-IUDNXUCKSA-N 0 3 267.372 3.989 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000272803932 1122213798 /nfs/dbraw/zinc/21/37/98/1122213798.db2.gz BVOAYNYNDAAAAI-ZENOOKHLSA-N 0 3 277.408 3.637 20 10 CHCDHN CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])CCO1 ZINC000272895340 1122215002 /nfs/dbraw/zinc/21/50/02/1122215002.db2.gz UCOKMZLEGVZWJF-RBSFLKMASA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1ccn2cc(CN[C@H](C)c3cc(C)ccc3O)nc2c1 ZINC000273366826 1122229906 /nfs/dbraw/zinc/22/99/06/1122229906.db2.gz BRJQXQNQICYWSW-CQSZACIVSA-N 0 3 295.386 3.508 20 10 CHCDHN COCC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccco1 ZINC000273391113 1122232024 /nfs/dbraw/zinc/23/20/24/1122232024.db2.gz DNDKQVORCMZDNW-FZMZJTMJSA-N 0 3 293.338 3.553 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC000273451659 1122233914 /nfs/dbraw/zinc/23/39/14/1122233914.db2.gz GCMYUMHOZRULDP-ARFHVFGLSA-N 0 3 291.435 3.945 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3O)c([O-])c1 ZINC000273606063 1122239990 /nfs/dbraw/zinc/23/99/90/1122239990.db2.gz UEQZSGKFPWCZSL-WBMJQRKESA-N 0 3 283.371 3.744 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000192907546 1129046859 /nfs/dbraw/zinc/04/68/59/1129046859.db2.gz UIRNPGWWSRBRFJ-YJBOKZPZSA-N 0 3 298.430 3.654 20 10 CHCDHN Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183438537 1129055151 /nfs/dbraw/zinc/05/51/51/1129055151.db2.gz MODUMOCBDHBDEB-CABCVRRESA-N 0 3 285.387 3.819 20 10 CHCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000183468016 1129056990 /nfs/dbraw/zinc/05/69/90/1129056990.db2.gz AVRFXKXFWHGBBT-CRAIPNDOSA-N 0 3 298.430 3.654 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000071403620 1129060391 /nfs/dbraw/zinc/06/03/91/1129060391.db2.gz BAVJRVQIACUTTB-UHFFFAOYSA-N 0 3 271.404 3.759 20 10 CHCDHN COc1ccsc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775363302 1122528440 /nfs/dbraw/zinc/52/84/40/1122528440.db2.gz MLNTZQPZSBZILO-GFCCVEGCSA-N 0 3 290.432 3.674 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1ccc(F)cc1 ZINC000183534784 1129060658 /nfs/dbraw/zinc/06/06/58/1129060658.db2.gz NCXUOPGUMLUTJM-STQMWFEESA-N 0 3 289.350 3.649 20 10 CHCDHN Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183534436 1129061081 /nfs/dbraw/zinc/06/10/81/1129061081.db2.gz QBFCCSWOBVMVHP-CABCVRRESA-N 0 3 285.387 3.819 20 10 CHCDHN CC[C@@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccccc1[O-] ZINC000775414947 1122557736 /nfs/dbraw/zinc/55/77/36/1122557736.db2.gz MDBXZSMGQARPTQ-OAHLLOKOSA-N 0 3 295.386 3.589 20 10 CHCDHN CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183554869 1129065200 /nfs/dbraw/zinc/06/52/00/1129065200.db2.gz WTGDBQZVHJEDDH-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccccc1[O-] ZINC000775489071 1122618254 /nfs/dbraw/zinc/61/82/54/1122618254.db2.gz MQVHPZBZBFNNGX-QGZVFWFLSA-N 0 3 290.451 3.697 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1ccccc1[O-] ZINC000775497159 1122626659 /nfs/dbraw/zinc/62/66/59/1122626659.db2.gz NQZHASXLBDVMOG-NVXWUHKLSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccccc1[O-] ZINC000775497160 1122626783 /nfs/dbraw/zinc/62/67/83/1122626783.db2.gz NQZHASXLBDVMOG-RDJZCZTQSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]CC1CCC(OC)CC1)c1ccccc1[O-] ZINC000775510900 1122633733 /nfs/dbraw/zinc/63/37/33/1122633733.db2.gz AOHZXAOJXIRXEE-XUJLQICISA-N 0 3 277.408 3.638 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000183600104 1129068709 /nfs/dbraw/zinc/06/87/09/1129068709.db2.gz UKWFVBPAEDYNPA-YSVLISHTSA-N 0 3 267.372 3.847 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc2C1)c1ccccc1[O-] ZINC001168407197 1122733696 /nfs/dbraw/zinc/73/36/96/1122733696.db2.gz NAFJPCSGNKHPBN-MLGOLLRUSA-N 0 3 285.362 3.739 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000775638221 1122849072 /nfs/dbraw/zinc/84/90/72/1122849072.db2.gz CITFMYRCOGAKES-SNVBAGLBSA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C(C)C)C2CC2)c1[O-] ZINC000775653975 1122865900 /nfs/dbraw/zinc/86/59/00/1122865900.db2.gz PSEYSRYGROAPDF-UHFFFAOYSA-N 0 3 253.773 3.727 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C(C)C)C2CC2)c1[O-] ZINC000775653975 1122865904 /nfs/dbraw/zinc/86/59/04/1122865904.db2.gz PSEYSRYGROAPDF-UHFFFAOYSA-N 0 3 253.773 3.727 20 10 CHCDHN CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000775661789 1122875235 /nfs/dbraw/zinc/87/52/35/1122875235.db2.gz AUNQVWGENYGSDA-ZDUSSCGKSA-N 0 3 253.773 3.728 20 10 CHCDHN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000775661789 1122875239 /nfs/dbraw/zinc/87/52/39/1122875239.db2.gz AUNQVWGENYGSDA-ZDUSSCGKSA-N 0 3 253.773 3.728 20 10 CHCDHN CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000775661788 1122876119 /nfs/dbraw/zinc/87/61/19/1122876119.db2.gz AUNQVWGENYGSDA-CYBMUJFWSA-N 0 3 253.773 3.728 20 10 CHCDHN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000775661788 1122876121 /nfs/dbraw/zinc/87/61/21/1122876121.db2.gz AUNQVWGENYGSDA-CYBMUJFWSA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1[O-] ZINC000775737450 1122928844 /nfs/dbraw/zinc/92/88/44/1122928844.db2.gz HGFXAOBDWUZTNV-OAHLLOKOSA-N 0 3 297.826 3.601 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1[O-] ZINC000775737450 1122928849 /nfs/dbraw/zinc/92/88/49/1122928849.db2.gz HGFXAOBDWUZTNV-OAHLLOKOSA-N 0 3 297.826 3.601 20 10 CHCDHN CC(C)c1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000775998358 1123033843 /nfs/dbraw/zinc/03/38/43/1123033843.db2.gz UTJSGLCRMITEJC-UHFFFAOYSA-N 0 3 273.351 3.945 20 10 CHCDHN CCC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCC1 ZINC000776232660 1123170187 /nfs/dbraw/zinc/17/01/87/1123170187.db2.gz SVOLTDQUFCVRST-UHFFFAOYSA-N 0 3 298.224 3.885 20 10 CHCDHN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000850388242 1123261542 /nfs/dbraw/zinc/26/15/42/1123261542.db2.gz KDEZOSHSZHXXNP-HZPDHXFCSA-N 0 3 289.419 3.608 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850393606 1123261896 /nfs/dbraw/zinc/26/18/96/1123261896.db2.gz VEISYUCXNUUKRZ-IZZQQSIFSA-N 0 3 279.383 3.947 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)C2CCC(F)CC2)c([O-])c1 ZINC000850396156 1123262646 /nfs/dbraw/zinc/26/26/46/1123262646.db2.gz QMMLRDDCCVTIII-DNOWBOINSA-N 0 3 295.398 3.797 20 10 CHCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCc2c(C)cccc21 ZINC000850411501 1123264544 /nfs/dbraw/zinc/26/45/44/1123264544.db2.gz CYIRTMNQIHEARQ-QGZVFWFLSA-N 0 3 297.398 3.876 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc2cnccc2o1 ZINC000850431084 1123266277 /nfs/dbraw/zinc/26/62/77/1123266277.db2.gz YTXYDBWTSNQTKU-GFCCVEGCSA-N 0 3 294.354 3.614 20 10 CHCDHN CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000850492287 1123274054 /nfs/dbraw/zinc/27/40/54/1123274054.db2.gz CRFGHLNVFOZGOG-HIFRSBDPSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)COCC1CC1)c1ccc(C)cc1[O-] ZINC000850493130 1123274191 /nfs/dbraw/zinc/27/41/91/1123274191.db2.gz HKMUSJDGMZWZOX-DOTOQJQBSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccccc1[O-] ZINC000850530244 1123284883 /nfs/dbraw/zinc/28/48/83/1123284883.db2.gz XTTKWQMIMRVCPM-XYJFISCASA-N 0 3 283.371 3.611 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c([O-])c1 ZINC000850537671 1123287761 /nfs/dbraw/zinc/28/77/61/1123287761.db2.gz WXTLHDDXDDVSSV-RISCZKNCSA-N 0 3 269.335 3.787 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)c([O-])c1 ZINC000850543309 1123289174 /nfs/dbraw/zinc/28/91/74/1123289174.db2.gz HPEUNDOTHRSVMN-SJCJKPOMSA-N 0 3 283.371 3.744 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CCC(F)CC1 ZINC000850553987 1123290989 /nfs/dbraw/zinc/29/09/89/1123290989.db2.gz GBPFMNUOKWOELP-KBHBFKLGSA-N 0 3 265.372 3.960 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CCC(F)CC1 ZINC000850555767 1123291220 /nfs/dbraw/zinc/29/12/20/1123291220.db2.gz QDERRIUOCIIBSI-BNQIPGGESA-N 0 3 277.383 3.886 20 10 CHCDHN CC[C@@H]([NH2+]CCC1SCCS1)c1ccc(C)cc1[O-] ZINC000850568841 1123293690 /nfs/dbraw/zinc/29/36/90/1123293690.db2.gz KUAMNEDISQONLS-CYBMUJFWSA-N 0 3 297.489 3.938 20 10 CHCDHN CCN(CC[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1C ZINC000783504242 1123312225 /nfs/dbraw/zinc/31/22/25/1123312225.db2.gz WREKOILZSSVOCW-MRXNPFEDSA-N 0 3 298.430 3.878 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000783508737 1123398846 /nfs/dbraw/zinc/39/88/46/1123398846.db2.gz KQTZGACBWVIIDO-OLZOCXBDSA-N 0 3 273.351 3.986 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCOC2CCCCC2)c([O-])c1 ZINC000111635676 1123457162 /nfs/dbraw/zinc/45/71/62/1123457162.db2.gz CNVPQGRKJPGGBZ-AWEZNQCLSA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c2c(n1)CCCC2 ZINC000895852571 1123522379 /nfs/dbraw/zinc/52/23/79/1123522379.db2.gz WUPFYNQNUUBDGF-AWEZNQCLSA-N 0 3 296.414 3.825 20 10 CHCDHN CCCSC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000895852377 1123522490 /nfs/dbraw/zinc/52/24/90/1123522490.db2.gz ULPLQFVTEOAOOR-RYUDHWBXSA-N 0 3 253.411 3.575 20 10 CHCDHN CCCc1ccc(CNCc2ccc3c(c2)CCO3)s1 ZINC000856768525 1123566793 /nfs/dbraw/zinc/56/67/93/1123566793.db2.gz XPIYAFQAUNFGOS-UHFFFAOYSA-N 0 3 287.428 3.925 20 10 CHCDHN Cc1ccc(CNCc2ccc(N(C)C)cc2C)cc1F ZINC000115629453 1123620414 /nfs/dbraw/zinc/62/04/14/1123620414.db2.gz SKEHTXAKJXYTBT-UHFFFAOYSA-N 0 3 286.394 3.798 20 10 CHCDHN Cc1cc(CNCc2cccn2C)c(C)n1-c1ccccc1 ZINC000858292843 1123642548 /nfs/dbraw/zinc/64/25/48/1123642548.db2.gz GOSLJCCDSYUENI-UHFFFAOYSA-N 0 3 293.414 3.722 20 10 CHCDHN CN(C)c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281403684 1123706232 /nfs/dbraw/zinc/70/62/32/1123706232.db2.gz YXHNEPUEEXJPNQ-SFHVURJKSA-N 0 3 299.393 3.528 20 10 CHCDHN C/C=C\C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862550491 1123819491 /nfs/dbraw/zinc/81/94/91/1123819491.db2.gz MEJJDQYZMZVETL-NQHOJNORSA-N 0 3 275.392 3.579 20 10 CHCDHN C/C=C\C[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862550491 1123819493 /nfs/dbraw/zinc/81/94/93/1123819493.db2.gz MEJJDQYZMZVETL-NQHOJNORSA-N 0 3 275.392 3.579 20 10 CHCDHN CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000192946495 1123867573 /nfs/dbraw/zinc/86/75/73/1123867573.db2.gz FLRSDLXLTQANGA-QWHCGFSZSA-N 0 3 298.386 3.762 20 10 CHCDHN CCSCCN(Cc1ccco1)Cc1ccccc1O ZINC000119483104 1123872235 /nfs/dbraw/zinc/87/22/35/1123872235.db2.gz TUMPWYSKGPYFKX-UHFFFAOYSA-N 0 3 291.416 3.741 20 10 CHCDHN COc1ccc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)c([O-])c1 ZINC000119687548 1123900617 /nfs/dbraw/zinc/90/06/17/1123900617.db2.gz QDEVESOEFBURNF-CQSZACIVSA-N 0 3 285.387 3.603 20 10 CHCDHN CCCCOCCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794796447 1123950011 /nfs/dbraw/zinc/95/00/11/1123950011.db2.gz UJEPSFTXDIYPSK-INIZCTEOSA-N 0 3 279.424 3.948 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)SC)c1ccc(C)cc1[O-] ZINC000794800342 1123950878 /nfs/dbraw/zinc/95/08/78/1123950878.db2.gz CTKLLRFXJKICTL-CYBMUJFWSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1C)c1ccc(C)cc1[O-] ZINC000794804858 1123952650 /nfs/dbraw/zinc/95/26/50/1123952650.db2.gz VQWKHWUMGGCMMT-MSOLQXFVSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1ccc(C)cc1[O-] ZINC000794802984 1123953234 /nfs/dbraw/zinc/95/32/34/1123953234.db2.gz PBFLCJPGONMPAG-GOEBONIOSA-N 0 3 279.424 3.802 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)c1ccc(C)cc1[O-] ZINC000794802986 1123953249 /nfs/dbraw/zinc/95/32/49/1123953249.db2.gz PBFLCJPGONMPAG-ZBFHGGJFSA-N 0 3 279.424 3.802 20 10 CHCDHN CC[C@@H]([NH2+]C1CCC(O)(CC)CC1)c1ccc(C)cc1[O-] ZINC000794810397 1123955536 /nfs/dbraw/zinc/95/55/36/1123955536.db2.gz KZQGYVUANVVMPG-BFHRDPOASA-N 0 3 291.435 3.825 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(C)cc1[O-] ZINC000794814684 1123957904 /nfs/dbraw/zinc/95/79/04/1123957904.db2.gz HYCCHVUKPLDRPD-GXTWGEPZSA-N 0 3 258.365 3.831 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])[C@@H]1CCCO1 ZINC000794815934 1123959145 /nfs/dbraw/zinc/95/91/45/1123959145.db2.gz MKUUQGDJCSAAKM-UXLLHSPISA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794818336 1123959752 /nfs/dbraw/zinc/95/97/52/1123959752.db2.gz RVUKBZYAEOYGAK-UKRRQHHQSA-N 0 3 279.424 3.538 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000865442508 1123985262 /nfs/dbraw/zinc/98/52/62/1123985262.db2.gz NLNUPKGVPMWDGO-UHFFFAOYSA-N 0 3 295.304 3.787 20 10 CHCDHN CC[C@](C)([NH2+]Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000865659865 1124003207 /nfs/dbraw/zinc/00/32/07/1124003207.db2.gz GOGSFGIDZJUELF-KRWDZBQOSA-N 0 3 273.351 3.946 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccccc2C)c([O-])c1 ZINC000865731409 1124009103 /nfs/dbraw/zinc/00/91/03/1124009103.db2.gz MNXYHRQUVPOSBP-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000866499024 1124073778 /nfs/dbraw/zinc/07/37/78/1124073778.db2.gz CWQBXKAJGJTLPP-ZXZZCXTASA-N 0 3 289.272 3.620 20 10 CHCDHN CC[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1[O-] ZINC000121092435 1124074967 /nfs/dbraw/zinc/07/49/67/1124074967.db2.gz DHFSTJPLDNYVRJ-QGZVFWFLSA-N 0 3 267.372 3.600 20 10 CHCDHN CC[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000866512726 1124076430 /nfs/dbraw/zinc/07/64/30/1124076430.db2.gz OFPWGMPISYGPNY-UWWQBHOKSA-N 0 3 289.419 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccccc1[O-] ZINC000866512725 1124076802 /nfs/dbraw/zinc/07/68/02/1124076802.db2.gz OFPWGMPISYGPNY-QILLFSRXSA-N 0 3 289.419 3.638 20 10 CHCDHN CC[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866622788 1124091244 /nfs/dbraw/zinc/09/12/44/1124091244.db2.gz JBUFCHGMBOALLB-NVXWUHKLSA-N 0 3 289.419 3.925 20 10 CHCDHN CC[C@H](N[C@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000866632722 1124091869 /nfs/dbraw/zinc/09/18/69/1124091869.db2.gz ORMZXCJXQVTDIN-IRXDYDNUSA-N 0 3 298.434 3.525 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCn3nccc32)cc1 ZINC000866633494 1124092390 /nfs/dbraw/zinc/09/23/90/1124092390.db2.gz WCIBVSLPOCIBLJ-RHSMWYFYSA-N 0 3 298.434 3.525 20 10 CHCDHN C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccccc1[O-] ZINC000019906527 1124768108 /nfs/dbraw/zinc/76/81/08/1124768108.db2.gz ANAOUOZTLLFAPH-OAHLLOKOSA-N 0 3 284.403 3.569 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc(F)c2C1)c1ccccc1[O-] ZINC001170956511 1131313660 /nfs/dbraw/zinc/31/36/60/1131313660.db2.gz XEZQHNPLHODIAC-GXTWGEPZSA-N 0 3 285.362 3.739 20 10 CHCDHN CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])N(C)C ZINC000021521147 1124932558 /nfs/dbraw/zinc/93/25/58/1124932558.db2.gz XHCKRADYTMRTNU-PBHICJAKSA-N 0 3 292.467 3.718 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c([O-])c1 ZINC000876738800 1124972132 /nfs/dbraw/zinc/97/21/32/1124972132.db2.gz AZSAGSZCDPWEAS-KRWDZBQOSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c([O-])c1 ZINC000876738800 1124972141 /nfs/dbraw/zinc/97/21/41/1124972141.db2.gz AZSAGSZCDPWEAS-KRWDZBQOSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CCc1csc(C(C)C)n1 ZINC000876997015 1124997020 /nfs/dbraw/zinc/99/70/20/1124997020.db2.gz KXWGLVBHTOVTRA-UHFFFAOYSA-N 0 3 290.432 3.613 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)c([O-])c1 ZINC000877038523 1125000321 /nfs/dbraw/zinc/00/03/21/1125000321.db2.gz RFFNLOMFAPCNCZ-DOTOQJQBSA-N 0 3 291.435 3.632 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000877087440 1125008717 /nfs/dbraw/zinc/00/87/17/1125008717.db2.gz LYKGGFGUSKPVFG-OAHLLOKOSA-N 0 3 289.419 3.672 20 10 CHCDHN CCC(CC)[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])CCO1 ZINC000877167484 1125016298 /nfs/dbraw/zinc/01/62/98/1125016298.db2.gz ZOCXYQPRFNBMOK-CRAIPNDOSA-N 0 3 291.435 3.774 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000877172957 1125017670 /nfs/dbraw/zinc/01/76/70/1125017670.db2.gz ZPSOJSFAYLVVMH-UHFFFAOYSA-N 0 3 296.414 3.550 20 10 CHCDHN CSc1cccc(F)c1CNCc1ccc(C)cc1O ZINC000877513923 1125036371 /nfs/dbraw/zinc/03/63/71/1125036371.db2.gz CXGYXJJUGIZGBI-UHFFFAOYSA-N 0 3 291.391 3.851 20 10 CHCDHN CSCc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000877518086 1125039073 /nfs/dbraw/zinc/03/90/73/1125039073.db2.gz FFRLMIKGLIDCAD-UHFFFAOYSA-N 0 3 287.428 3.853 20 10 CHCDHN CSC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000877663309 1125061743 /nfs/dbraw/zinc/06/17/43/1125061743.db2.gz OSGGLBQXQFHFBM-UHFFFAOYSA-N 0 3 285.840 3.681 20 10 CHCDHN Cc1ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c([O-])c1 ZINC000877697845 1125064577 /nfs/dbraw/zinc/06/45/77/1125064577.db2.gz NVXIDNLFZCUHAV-QGZVFWFLSA-N 0 3 289.419 3.530 20 10 CHCDHN COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000877756338 1125073178 /nfs/dbraw/zinc/07/31/78/1125073178.db2.gz IADFUTDRGZYQCX-UONOGXRCSA-N 0 3 285.387 3.683 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000877756888 1125074413 /nfs/dbraw/zinc/07/44/13/1125074413.db2.gz BVOAYNYNDAAAAI-XJKCOSOUSA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)s1 ZINC000877757168 1125074822 /nfs/dbraw/zinc/07/48/22/1125074822.db2.gz KSUJTUAAGNIGJQ-NSHDSACASA-N 0 3 261.390 3.921 20 10 CHCDHN CCn1c(CN[C@H](C)c2ccccc2O)nc2ccccc21 ZINC000877756559 1125075615 /nfs/dbraw/zinc/07/56/15/1125075615.db2.gz RTQLTVSCJVQTRN-CYBMUJFWSA-N 0 3 295.386 3.613 20 10 CHCDHN CC[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])CC(F)F ZINC000879650180 1125223898 /nfs/dbraw/zinc/22/38/98/1125223898.db2.gz NJOOWTNSLUIKRK-GHMZBOCLSA-N 0 3 257.324 3.724 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C)C2)c1[O-] ZINC000783710100 1125285311 /nfs/dbraw/zinc/28/53/11/1125285311.db2.gz JNSWVPRREQEBDK-TVQRCGJNSA-N 0 3 298.224 3.741 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000883353279 1125400552 /nfs/dbraw/zinc/40/05/52/1125400552.db2.gz RNIGAGAPSNQZEG-PVAVHDDUSA-N 0 3 291.435 3.947 20 10 CHCDHN CCCCC[N@H+](Cc1cccc(OC)c1[O-])C(C)C ZINC000133255303 1125440096 /nfs/dbraw/zinc/44/00/96/1125440096.db2.gz OQZHRLFLACXRLD-UHFFFAOYSA-N 0 3 265.397 3.801 20 10 CHCDHN CCCCC[N@@H+](Cc1cccc(OC)c1[O-])C(C)C ZINC000133255303 1125440100 /nfs/dbraw/zinc/44/01/00/1125440100.db2.gz OQZHRLFLACXRLD-UHFFFAOYSA-N 0 3 265.397 3.801 20 10 CHCDHN CSC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001258324811 1129200236 /nfs/dbraw/zinc/20/02/36/1129200236.db2.gz XIUOZJMZJLSEBO-NEPJUHHUSA-N 0 3 267.438 3.963 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H](c2ccco2)C1 ZINC000245611764 1129213697 /nfs/dbraw/zinc/21/36/97/1129213697.db2.gz OCOGKZNCGYAXLV-UKRRQHHQSA-N 0 3 271.360 3.958 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H](c2ccco2)C1 ZINC000245611764 1129213700 /nfs/dbraw/zinc/21/37/00/1129213700.db2.gz OCOGKZNCGYAXLV-UKRRQHHQSA-N 0 3 271.360 3.958 20 10 CHCDHN COc1cccc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295771530 1129219734 /nfs/dbraw/zinc/21/97/34/1129219734.db2.gz AJPRBUWNQQFBIZ-WBMJQRKESA-N 0 3 283.371 3.739 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3ccccc31)CC2 ZINC000295923175 1129219865 /nfs/dbraw/zinc/21/98/65/1129219865.db2.gz JUNGQAGDAFDSEA-CVEARBPZSA-N 0 3 265.356 3.657 20 10 CHCDHN COc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296095471 1129220978 /nfs/dbraw/zinc/22/09/78/1129220978.db2.gz UCKQXESTYMORDI-DOMZBBRYSA-N 0 3 283.371 3.739 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCCCC2)c([O-])c1 ZINC000184847706 1129256414 /nfs/dbraw/zinc/25/64/14/1129256414.db2.gz GMNLIXWSFBXWLO-OAHLLOKOSA-N 0 3 290.451 3.616 20 10 CHCDHN COc1ccccc1/C=C/C[N@H+](C)Cc1ccccc1[O-] ZINC000091956823 1129375662 /nfs/dbraw/zinc/37/56/62/1129375662.db2.gz ORGBDMBQRRGJNB-JXMROGBWSA-N 0 3 283.371 3.546 20 10 CHCDHN COc1ccccc1/C=C/C[N@@H+](C)Cc1ccccc1[O-] ZINC000091956823 1129375664 /nfs/dbraw/zinc/37/56/64/1129375664.db2.gz ORGBDMBQRRGJNB-JXMROGBWSA-N 0 3 283.371 3.546 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)C[C@@H]3C)c2c1 ZINC000740860580 1129421055 /nfs/dbraw/zinc/42/10/55/1129421055.db2.gz QWHCKEBXBPBETR-STQMWFEESA-N 0 3 285.387 3.784 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)C[C@@H]3C)c2c1 ZINC000740860580 1129421056 /nfs/dbraw/zinc/42/10/56/1129421056.db2.gz QWHCKEBXBPBETR-STQMWFEESA-N 0 3 285.387 3.784 20 10 CHCDHN CCN(Cc1ccc(N(CC)CC)cc1)Cc1ccccn1 ZINC000093338944 1129421437 /nfs/dbraw/zinc/42/14/37/1129421437.db2.gz BRFZPKXUEZHBLB-UHFFFAOYSA-N 0 3 297.446 3.950 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccccc1C)c1ccccc1[O-] ZINC000094182980 1129441678 /nfs/dbraw/zinc/44/16/78/1129441678.db2.gz BQXARZSDLDXXOA-KRWDZBQOSA-N 0 3 269.388 3.984 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000094617597 1129448525 /nfs/dbraw/zinc/44/85/25/1129448525.db2.gz CZAAHWQWQZEBMV-WCQYABFASA-N 0 3 271.335 3.522 20 10 CHCDHN CO[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(C)C ZINC000744449084 1129577677 /nfs/dbraw/zinc/57/76/77/1129577677.db2.gz RVXKVXKJJKGDIU-LJQANCHMSA-N 0 3 299.414 3.820 20 10 CHCDHN Cc1ccc2cc(C[NH2+]Cc3ccccc3[O-])ccc2n1 ZINC000097862082 1129627199 /nfs/dbraw/zinc/62/71/99/1129627199.db2.gz NLUQWZXTLKKOOL-UHFFFAOYSA-N 0 3 278.355 3.539 20 10 CHCDHN CCOc1ccc(C[NH2+]C(C2CCC2)C2CCC2)c([O-])c1 ZINC000796516699 1129767960 /nfs/dbraw/zinc/76/79/60/1129767960.db2.gz WKCUJMKAILEWTK-UHFFFAOYSA-N 0 3 289.419 3.849 20 10 CHCDHN C[C@H]1CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796525770 1129773137 /nfs/dbraw/zinc/77/31/37/1129773137.db2.gz FVDPHERHQKOKLB-SUMWQHHRSA-N 0 3 267.372 3.947 20 10 CHCDHN Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1Cl ZINC000767693314 1129809036 /nfs/dbraw/zinc/80/90/36/1129809036.db2.gz LJTVYLIMVJNJCK-UHFFFAOYSA-N 0 3 287.790 3.873 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)C1CCCCCC1 ZINC000768213941 1129844162 /nfs/dbraw/zinc/84/41/62/1129844162.db2.gz BXUTYYTUXCVTRU-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)C1CCCCCC1 ZINC000768213941 1129844166 /nfs/dbraw/zinc/84/41/66/1129844166.db2.gz BXUTYYTUXCVTRU-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CC(C)N(Cc1ccco1)Cc1ccc(N(C)C)c(F)c1 ZINC000768249181 1129847263 /nfs/dbraw/zinc/84/72/63/1129847263.db2.gz ARNVDJICIBHWHD-UHFFFAOYSA-N 0 3 290.382 3.895 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)CC(F)(F)F)c1[O-] ZINC000768527398 1129860043 /nfs/dbraw/zinc/86/00/43/1129860043.db2.gz XIIOVYFXKRLVKC-QMMMGPOBSA-N 0 3 281.705 3.785 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1C1CC1 ZINC000768872083 1129878578 /nfs/dbraw/zinc/87/85/78/1129878578.db2.gz BRRZILKLJLYKMR-UHFFFAOYSA-N 0 3 267.372 3.902 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1C1CC1 ZINC000768872083 1129878583 /nfs/dbraw/zinc/87/85/83/1129878583.db2.gz BRRZILKLJLYKMR-UHFFFAOYSA-N 0 3 267.372 3.902 20 10 CHCDHN CC[C@H]1COCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000768882133 1129878926 /nfs/dbraw/zinc/87/89/26/1129878926.db2.gz QALPZBCPNMTURP-SFHVURJKSA-N 0 3 297.398 3.670 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2cc(C)cc(Cl)n2)c1 ZINC000800492163 1129879457 /nfs/dbraw/zinc/87/94/57/1129879457.db2.gz CRPQDLNJNWJFLW-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1[O-] ZINC000800496240 1129880116 /nfs/dbraw/zinc/88/01/16/1129880116.db2.gz UMPACILOIJIFRV-NHYWBVRUSA-N 0 3 287.790 3.864 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c1[O-] ZINC000769308703 1129901227 /nfs/dbraw/zinc/90/12/27/1129901227.db2.gz AXQAVYLIQRDKME-OAHLLOKOSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)c1[O-] ZINC000769308703 1129901229 /nfs/dbraw/zinc/90/12/29/1129901229.db2.gz AXQAVYLIQRDKME-OAHLLOKOSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CC(C)C)C2)c([O-])c1 ZINC000769402112 1129906084 /nfs/dbraw/zinc/90/60/84/1129906084.db2.gz AXXRBNWDFNMIJL-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@H](CC(C)C)C2)c([O-])c1 ZINC000769402112 1129906086 /nfs/dbraw/zinc/90/60/86/1129906086.db2.gz AXXRBNWDFNMIJL-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H](CC(C)C)C2)c1[O-] ZINC000769506611 1129914740 /nfs/dbraw/zinc/91/47/40/1129914740.db2.gz ZNAWRKBQXFNMII-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H](CC(C)C)C2)c1[O-] ZINC000769506611 1129914742 /nfs/dbraw/zinc/91/47/42/1129914742.db2.gz ZNAWRKBQXFNMII-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000769542056 1129916057 /nfs/dbraw/zinc/91/60/57/1129916057.db2.gz ZBHKIUAKEUHDQL-ACJLOTCBSA-N 0 3 283.371 3.594 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000769542056 1129916058 /nfs/dbraw/zinc/91/60/58/1129916058.db2.gz ZBHKIUAKEUHDQL-ACJLOTCBSA-N 0 3 283.371 3.594 20 10 CHCDHN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000769549024 1129916971 /nfs/dbraw/zinc/91/69/71/1129916971.db2.gz JUWGXIWUTIPHAI-OLZOCXBDSA-N 0 3 295.448 3.507 20 10 CHCDHN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000769549024 1129916972 /nfs/dbraw/zinc/91/69/72/1129916972.db2.gz JUWGXIWUTIPHAI-OLZOCXBDSA-N 0 3 295.448 3.507 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1 ZINC000801596601 1129931939 /nfs/dbraw/zinc/93/19/39/1129931939.db2.gz HCGUVCNPWBTHTH-IBGZPJMESA-N 0 3 299.414 3.728 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccccc1 ZINC000801596601 1129931942 /nfs/dbraw/zinc/93/19/42/1129931942.db2.gz HCGUVCNPWBTHTH-IBGZPJMESA-N 0 3 299.414 3.728 20 10 CHCDHN CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccccc1[O-] ZINC000770505297 1129947860 /nfs/dbraw/zinc/94/78/60/1129947860.db2.gz NVVMLJHMHIATNF-KRWDZBQOSA-N 0 3 296.414 3.623 20 10 CHCDHN CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccccc1[O-] ZINC000770505297 1129947863 /nfs/dbraw/zinc/94/78/63/1129947863.db2.gz NVVMLJHMHIATNF-KRWDZBQOSA-N 0 3 296.414 3.623 20 10 CHCDHN CC[N@H+](CCc1cccs1)Cc1ccccc1[O-] ZINC000770508598 1129948260 /nfs/dbraw/zinc/94/82/60/1129948260.db2.gz BASQNWWCXUCHFB-UHFFFAOYSA-N 0 3 261.390 3.518 20 10 CHCDHN CC[N@@H+](CCc1cccs1)Cc1ccccc1[O-] ZINC000770508598 1129948262 /nfs/dbraw/zinc/94/82/62/1129948262.db2.gz BASQNWWCXUCHFB-UHFFFAOYSA-N 0 3 261.390 3.518 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]2CCCC[C@H]12 ZINC000770510086 1129948327 /nfs/dbraw/zinc/94/83/27/1129948327.db2.gz XHJMBYSYLJYJDF-BMFZPTHFSA-N 0 3 259.393 3.793 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]2CCCC[C@H]12 ZINC000770510086 1129948328 /nfs/dbraw/zinc/94/83/28/1129948328.db2.gz XHJMBYSYLJYJDF-BMFZPTHFSA-N 0 3 259.393 3.793 20 10 CHCDHN COc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000770739391 1129957620 /nfs/dbraw/zinc/95/76/20/1129957620.db2.gz AHKFFORCXGPSFT-RDJZCZTQSA-N 0 3 297.398 3.827 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC=CO1 ZINC000802657750 1130027662 /nfs/dbraw/zinc/02/76/62/1130027662.db2.gz QIBWHBDXOIRUCJ-INIZCTEOSA-N 0 3 275.392 3.687 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC=CO1 ZINC000802657750 1130027669 /nfs/dbraw/zinc/02/76/69/1130027669.db2.gz QIBWHBDXOIRUCJ-INIZCTEOSA-N 0 3 275.392 3.687 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000903260812 1130138477 /nfs/dbraw/zinc/13/84/77/1130138477.db2.gz RMQCHYLBBFCJRG-HQQWDMGQSA-N 0 3 295.810 3.572 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cncs1)c1ccc(C)cc1[O-] ZINC000903312719 1130151982 /nfs/dbraw/zinc/15/19/82/1130151982.db2.gz XXROKCJCXJDKMK-AAEUAGOBSA-N 0 3 276.405 3.959 20 10 CHCDHN Cc1nc2ccccn2c1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000903422538 1130174092 /nfs/dbraw/zinc/17/40/92/1130174092.db2.gz ONAAQBSSXSEWRV-ZDUSSCGKSA-N 0 3 295.386 3.508 20 10 CHCDHN CSC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000788605163 1130197314 /nfs/dbraw/zinc/19/73/14/1130197314.db2.gz GUPJLLXXBOIDBH-MWLCHTKSSA-N 0 3 281.396 3.565 20 10 CHCDHN CCc1cccc(F)c1CN(C)Cc1ccccc1O ZINC000792789035 1130497545 /nfs/dbraw/zinc/49/75/45/1130497545.db2.gz UNJSNHYOXOXDIR-UHFFFAOYSA-N 0 3 273.351 3.726 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793351994 1130550086 /nfs/dbraw/zinc/55/00/86/1130550086.db2.gz LMHUPOMPUJOJNL-RHSMWYFYSA-N 0 3 285.362 3.957 20 10 CHCDHN CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387580 1130551670 /nfs/dbraw/zinc/55/16/70/1130551670.db2.gz IARCOZHFIGDGBP-ZDUSSCGKSA-N 0 3 291.416 3.573 20 10 CHCDHN CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387578 1130552150 /nfs/dbraw/zinc/55/21/50/1130552150.db2.gz IARCOZHFIGDGBP-CYBMUJFWSA-N 0 3 291.416 3.573 20 10 CHCDHN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](C)C2 ZINC000827353124 1130565894 /nfs/dbraw/zinc/56/58/94/1130565894.db2.gz ZEWMYTQRCYCOSN-XIKOKIGWSA-N 0 3 285.362 3.863 20 10 CHCDHN CN(C)c1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1F ZINC000811513944 1130619665 /nfs/dbraw/zinc/61/96/65/1130619665.db2.gz XBRBPADNGWLPCC-KRWDZBQOSA-N 0 3 288.410 3.656 20 10 CHCDHN COc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2C2CC2)c1O ZINC000811513840 1130620535 /nfs/dbraw/zinc/62/05/35/1130620535.db2.gz SFGWDMBAVWDZRK-HNNXBMFYSA-N 0 3 295.810 3.675 20 10 CHCDHN CC[N@H+](Cc1cccc(-c2ccccc2)c1[O-])CC(C)(C)O ZINC001234996922 1130699715 /nfs/dbraw/zinc/69/97/15/1130699715.db2.gz PVOUJKYSCXPYNW-UHFFFAOYSA-N 0 3 299.414 3.652 20 10 CHCDHN CC[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])CC(C)(C)O ZINC001234996922 1130699717 /nfs/dbraw/zinc/69/97/17/1130699717.db2.gz PVOUJKYSCXPYNW-UHFFFAOYSA-N 0 3 299.414 3.652 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001235674874 1130765482 /nfs/dbraw/zinc/76/54/82/1130765482.db2.gz HKYPVEHVQNOLCD-OKILXGFUSA-N 0 3 273.420 3.922 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001235674874 1130765486 /nfs/dbraw/zinc/76/54/86/1130765486.db2.gz HKYPVEHVQNOLCD-OKILXGFUSA-N 0 3 273.420 3.922 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)c([O-])c1 ZINC001235676304 1130766311 /nfs/dbraw/zinc/76/63/11/1130766311.db2.gz PTEFUMAADBLEHK-KRWDZBQOSA-N 0 3 279.399 3.871 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(CF)C2)c([O-])c1 ZINC001235676304 1130766315 /nfs/dbraw/zinc/76/63/15/1130766315.db2.gz PTEFUMAADBLEHK-KRWDZBQOSA-N 0 3 279.399 3.871 20 10 CHCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C[C@@H]1CCCCO1 ZINC001235685409 1130767792 /nfs/dbraw/zinc/76/77/92/1130767792.db2.gz PTSKTMTVWBNOLC-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C[C@@H]1CCCCO1 ZINC001235685409 1130767797 /nfs/dbraw/zinc/76/77/97/1130767797.db2.gz PTSKTMTVWBNOLC-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1 ZINC001235685415 1130768203 /nfs/dbraw/zinc/76/82/03/1130768203.db2.gz PZKZJSVUPVPGSW-AEGPPILISA-N 0 3 277.383 3.622 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c([O-])c1 ZINC001235685415 1130768208 /nfs/dbraw/zinc/76/82/08/1130768208.db2.gz PZKZJSVUPVPGSW-AEGPPILISA-N 0 3 277.383 3.622 20 10 CHCDHN CCO[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235685986 1130768669 /nfs/dbraw/zinc/76/86/69/1130768669.db2.gz WGBCZTZQMYJDCK-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN CCO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235685986 1130768673 /nfs/dbraw/zinc/76/86/73/1130768673.db2.gz WGBCZTZQMYJDCK-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN Cc1cc(O)c(CN2Cc3ccccc3OC[C@@H]2C)cc1C ZINC000782288975 1130769182 /nfs/dbraw/zinc/76/91/82/1130769182.db2.gz KYRMLIPRSVXMRU-HNNXBMFYSA-N 0 3 297.398 3.792 20 10 CHCDHN C[C@@H](CCc1cccc(F)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000783424586 1130822932 /nfs/dbraw/zinc/82/29/32/1130822932.db2.gz PBDYXAVBUPGNTO-AWEZNQCLSA-N 0 3 287.378 3.984 20 10 CHCDHN C[C@@H](CCc1cccc(F)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000783424586 1130822938 /nfs/dbraw/zinc/82/29/38/1130822938.db2.gz PBDYXAVBUPGNTO-AWEZNQCLSA-N 0 3 287.378 3.984 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccccc1[O-] ZINC000783505928 1130831370 /nfs/dbraw/zinc/83/13/70/1130831370.db2.gz ROAVZRLOBIPNKB-CQSZACIVSA-N 0 3 292.382 3.834 20 10 CHCDHN Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])o1 ZINC000783516065 1130832270 /nfs/dbraw/zinc/83/22/70/1130832270.db2.gz DHMWUFMIEKZNIB-TZMCWYRMSA-N 0 3 273.376 3.966 20 10 CHCDHN C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000783533088 1130835009 /nfs/dbraw/zinc/83/50/09/1130835009.db2.gz NNOQWGJQUNCRLO-JTQLQIEISA-N 0 3 295.304 3.703 20 10 CHCDHN C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000783525658 1130835505 /nfs/dbraw/zinc/83/55/05/1130835505.db2.gz MUADWYQBKPCYJV-ZDUSSCGKSA-N 0 3 293.407 3.555 20 10 CHCDHN Cc1cc(O)c(CN2CC(C)(C)[C@H]2c2ccncc2)cc1C ZINC000814229992 1130849069 /nfs/dbraw/zinc/84/90/69/1130849069.db2.gz IRYWBAYEDZKMJD-GOSISDBHSA-N 0 3 296.414 3.987 20 10 CHCDHN Cc1cc(CN(C)[C@H](C)c2ccco2)ccc1N(C)C ZINC000815028084 1130953594 /nfs/dbraw/zinc/95/35/94/1130953594.db2.gz PWCQCOZPDHDXNC-CQSZACIVSA-N 0 3 272.392 3.847 20 10 CHCDHN Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000797061043 1130957904 /nfs/dbraw/zinc/95/79/04/1130957904.db2.gz MYYQTFOUSSLXFW-QMTMVMCOSA-N 0 3 299.414 3.782 20 10 CHCDHN CC1=C[C@H](C)C[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000797416523 1130985937 /nfs/dbraw/zinc/98/59/37/1130985937.db2.gz ITQOSXZHHZFDLZ-ZDUSSCGKSA-N 0 3 267.372 3.943 20 10 CHCDHN CC1=C[C@H](C)C[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000797416523 1130985939 /nfs/dbraw/zinc/98/59/39/1130985939.db2.gz ITQOSXZHHZFDLZ-ZDUSSCGKSA-N 0 3 267.372 3.943 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001236790746 1131006089 /nfs/dbraw/zinc/00/60/89/1131006089.db2.gz XSAOCLRWPDYRAX-SFHVURJKSA-N 0 3 297.398 3.608 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([O-])c1 ZINC001236790746 1131006097 /nfs/dbraw/zinc/00/60/97/1131006097.db2.gz XSAOCLRWPDYRAX-SFHVURJKSA-N 0 3 297.398 3.608 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC001236787358 1131006147 /nfs/dbraw/zinc/00/61/47/1131006147.db2.gz BLCMFINNMLLNLR-UHFFFAOYSA-N 0 3 299.414 3.638 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2ccccc2OC)c([O-])c1 ZINC001236787358 1131006153 /nfs/dbraw/zinc/00/61/53/1131006153.db2.gz BLCMFINNMLLNLR-UHFFFAOYSA-N 0 3 299.414 3.638 20 10 CHCDHN CCc1ccc(CN2CCc3cccc(OC)c3C2)c(O)c1 ZINC001236784291 1131006228 /nfs/dbraw/zinc/00/62/28/1131006228.db2.gz UCTNKWIUNGYUBG-UHFFFAOYSA-N 0 3 297.398 3.522 20 10 CHCDHN CCc1ccc(C[N@H+](CC)Cc2ccc(OC)cc2)c([O-])c1 ZINC001236786531 1131006331 /nfs/dbraw/zinc/00/63/31/1131006331.db2.gz CFHGBKVMMMZPCK-UHFFFAOYSA-N 0 3 299.414 3.985 20 10 CHCDHN CCc1ccc(C[N@@H+](CC)Cc2ccc(OC)cc2)c([O-])c1 ZINC001236786531 1131006336 /nfs/dbraw/zinc/00/63/36/1131006336.db2.gz CFHGBKVMMMZPCK-UHFFFAOYSA-N 0 3 299.414 3.985 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)c([O-])c1 ZINC001236788567 1131007043 /nfs/dbraw/zinc/00/70/43/1131007043.db2.gz PFGPIOVLFQDUPU-UHFFFAOYSA-N 0 3 281.399 3.821 20 10 CHCDHN CCc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)c([O-])c1 ZINC001236788567 1131007048 /nfs/dbraw/zinc/00/70/48/1131007048.db2.gz PFGPIOVLFQDUPU-UHFFFAOYSA-N 0 3 281.399 3.821 20 10 CHCDHN CCc1ccc(C[N@H+](CC)Cc2cccc(OC)c2)c([O-])c1 ZINC001236791793 1131010129 /nfs/dbraw/zinc/01/01/29/1131010129.db2.gz LARJNVFPNPUOLK-UHFFFAOYSA-N 0 3 299.414 3.985 20 10 CHCDHN CCc1ccc(C[N@@H+](CC)Cc2cccc(OC)c2)c([O-])c1 ZINC001236791793 1131010135 /nfs/dbraw/zinc/01/01/35/1131010135.db2.gz LARJNVFPNPUOLK-UHFFFAOYSA-N 0 3 299.414 3.985 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccccc1[O-] ZINC000815648119 1131017278 /nfs/dbraw/zinc/01/72/78/1131017278.db2.gz FDCQXESLDYQXHA-RDJZCZTQSA-N 0 3 291.435 3.622 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001236834374 1131017992 /nfs/dbraw/zinc/01/79/92/1131017992.db2.gz XQAMHBNALUZDSD-AWEZNQCLSA-N 0 3 295.304 3.930 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001236834374 1131017996 /nfs/dbraw/zinc/01/79/96/1131017996.db2.gz XQAMHBNALUZDSD-AWEZNQCLSA-N 0 3 295.304 3.930 20 10 CHCDHN CCOc1ccc(C[N@H+](C)C/C=C/c2ccccc2)c([O-])c1 ZINC001237042736 1131038714 /nfs/dbraw/zinc/03/87/14/1131038714.db2.gz GCGXHUILKLYIDF-JXMROGBWSA-N 0 3 297.398 3.936 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)C/C=C/c2ccccc2)c([O-])c1 ZINC001237042736 1131038722 /nfs/dbraw/zinc/03/87/22/1131038722.db2.gz GCGXHUILKLYIDF-JXMROGBWSA-N 0 3 297.398 3.936 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c([O-])c1 ZINC001237046672 1131041301 /nfs/dbraw/zinc/04/13/01/1131041301.db2.gz VIJVXCHODZTHRA-GOSISDBHSA-N 0 3 289.419 3.661 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c([O-])c1 ZINC001237046672 1131041307 /nfs/dbraw/zinc/04/13/07/1131041307.db2.gz VIJVXCHODZTHRA-GOSISDBHSA-N 0 3 289.419 3.661 20 10 CHCDHN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237049778 1131041355 /nfs/dbraw/zinc/04/13/55/1131041355.db2.gz TVCSUQIRBCMQFS-KRWDZBQOSA-N 0 3 291.435 3.905 20 10 CHCDHN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237049778 1131041359 /nfs/dbraw/zinc/04/13/59/1131041359.db2.gz TVCSUQIRBCMQFS-KRWDZBQOSA-N 0 3 291.435 3.905 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001237050138 1131041858 /nfs/dbraw/zinc/04/18/58/1131041858.db2.gz PZFARKQHNXYWCE-LBPRGKRZSA-N 0 3 299.361 3.658 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001237050138 1131041861 /nfs/dbraw/zinc/04/18/61/1131041861.db2.gz PZFARKQHNXYWCE-LBPRGKRZSA-N 0 3 299.361 3.658 20 10 CHCDHN CC(C)OC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237054336 1131043394 /nfs/dbraw/zinc/04/33/94/1131043394.db2.gz WAJNBQFMZAWGEV-UHFFFAOYSA-N 0 3 291.435 3.905 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC001237053537 1131044307 /nfs/dbraw/zinc/04/43/07/1131044307.db2.gz MIIMBCDIRVZAHA-QGZVFWFLSA-N 0 3 296.414 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c([O-])c1 ZINC001237053537 1131044313 /nfs/dbraw/zinc/04/43/13/1131044313.db2.gz MIIMBCDIRVZAHA-QGZVFWFLSA-N 0 3 296.414 3.900 20 10 CHCDHN CCCO[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237053572 1131044354 /nfs/dbraw/zinc/04/43/54/1131044354.db2.gz NIVCUFXAIHDYPG-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN CCCO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237053572 1131044360 /nfs/dbraw/zinc/04/43/60/1131044360.db2.gz NIVCUFXAIHDYPG-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN CCCC[N@@H+](CC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121158 1131049600 /nfs/dbraw/zinc/04/96/00/1131049600.db2.gz VVSVSOIMIMLWMG-UHFFFAOYSA-N 0 3 291.313 3.913 20 10 CHCDHN CCCC[N@H+](CC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121158 1131049596 /nfs/dbraw/zinc/04/95/96/1131049596.db2.gz VVSVSOIMIMLWMG-UHFFFAOYSA-N 0 3 291.313 3.913 20 10 CHCDHN CC[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237140172 1131059190 /nfs/dbraw/zinc/05/91/90/1131059190.db2.gz XJNXCTQCGUAJLO-GFCCVEGCSA-N 0 3 273.298 3.785 20 10 CHCDHN CC[C@@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237140172 1131059197 /nfs/dbraw/zinc/05/91/97/1131059197.db2.gz XJNXCTQCGUAJLO-GFCCVEGCSA-N 0 3 273.298 3.785 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCC(C)(C)O2)CC1 ZINC001237491923 1131104864 /nfs/dbraw/zinc/10/48/64/1131104864.db2.gz MXHBHTUNXJLJRI-UHFFFAOYSA-N 0 3 289.419 3.624 20 10 CHCDHN CCCN(CCC)c1ccc(CN2CC[C@H]2COC)cc1 ZINC000816636695 1131118142 /nfs/dbraw/zinc/11/81/42/1131118142.db2.gz FIWNGEHOMYDRRB-SFHVURJKSA-N 0 3 290.451 3.534 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCCC23CC3)c1[O-] ZINC001237684402 1131126250 /nfs/dbraw/zinc/12/62/50/1131126250.db2.gz ARNOYXTVOOJOQL-UHFFFAOYSA-N 0 3 265.784 3.873 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCCC23CC3)c1[O-] ZINC001237684402 1131126253 /nfs/dbraw/zinc/12/62/53/1131126253.db2.gz ARNOYXTVOOJOQL-UHFFFAOYSA-N 0 3 265.784 3.873 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C)cc1Br ZINC001237675781 1131127167 /nfs/dbraw/zinc/12/71/67/1131127167.db2.gz ARKJMKXJSUXCKV-NSHDSACASA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC001237675781 1131127169 /nfs/dbraw/zinc/12/71/69/1131127169.db2.gz ARKJMKXJSUXCKV-NSHDSACASA-N 0 3 298.224 3.838 20 10 CHCDHN CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687184 1131127227 /nfs/dbraw/zinc/12/72/27/1131127227.db2.gz UHNNHTUDCGJVSP-LBPRGKRZSA-N 0 3 267.800 3.976 20 10 CHCDHN CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687184 1131127228 /nfs/dbraw/zinc/12/72/28/1131127228.db2.gz UHNNHTUDCGJVSP-LBPRGKRZSA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(F)cc(CN(C)Cc2ccsc2)c1O ZINC001238061303 1131166942 /nfs/dbraw/zinc/16/69/42/1131166942.db2.gz GCWGYAKFYANALQ-UHFFFAOYSA-N 0 3 265.353 3.533 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1[O-] ZINC001238069700 1131168273 /nfs/dbraw/zinc/16/82/73/1131168273.db2.gz KAXIYYNWXGOALC-CQSZACIVSA-N 0 3 295.373 3.944 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(F)ccc1[O-] ZINC000817588272 1131173638 /nfs/dbraw/zinc/17/36/38/1131173638.db2.gz DGGBLCCTZKXSOF-NWDGAFQWSA-N 0 3 295.423 3.715 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CC13CCSCC3)CC2 ZINC000817590627 1131175264 /nfs/dbraw/zinc/17/52/64/1131175264.db2.gz ZFXYGZBXRQYBNP-UONOGXRCSA-N 0 3 289.444 3.502 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000824468493 1131472240 /nfs/dbraw/zinc/47/22/40/1131472240.db2.gz KHSAIPGEGXVPIF-MRXNPFEDSA-N 0 3 289.325 3.838 20 10 CHCDHN C[C@H]1C[C@@H](CF)N(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215413 1131477865 /nfs/dbraw/zinc/47/78/65/1131477865.db2.gz DUWIRGIRSLXRIE-YJBOKZPZSA-N 0 3 290.426 3.857 20 10 CHCDHN C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000824716150 1131480907 /nfs/dbraw/zinc/48/09/07/1131480907.db2.gz SHSSECGJKNTKDH-KOLCDFICSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000824716150 1131480909 /nfs/dbraw/zinc/48/09/09/1131480909.db2.gz SHSSECGJKNTKDH-KOLCDFICSA-N 0 3 291.288 3.694 20 10 CHCDHN CC[N@H+](Cc1cccc(F)c1)Cc1cc(F)ccc1[O-] ZINC001140058468 1131660154 /nfs/dbraw/zinc/66/01/54/1131660154.db2.gz BIAMAVTWWDXSPQ-UHFFFAOYSA-N 0 3 277.314 3.693 20 10 CHCDHN CC[N@@H+](Cc1cccc(F)c1)Cc1cc(F)ccc1[O-] ZINC001140058468 1131660156 /nfs/dbraw/zinc/66/01/56/1131660156.db2.gz BIAMAVTWWDXSPQ-UHFFFAOYSA-N 0 3 277.314 3.693 20 10 CHCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000834537483 1131681646 /nfs/dbraw/zinc/68/16/46/1131681646.db2.gz DQLRHDPYAOAKRL-BLLLJJGKSA-N 0 3 285.362 3.912 20 10 CHCDHN CC[C@H](NCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000834554442 1131683351 /nfs/dbraw/zinc/68/33/51/1131683351.db2.gz AXRSMAZZQMHNSP-HNNXBMFYSA-N 0 3 273.401 3.924 20 10 CHCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)Cc1cccs1 ZINC000834603237 1131687587 /nfs/dbraw/zinc/68/75/87/1131687587.db2.gz XEGWGRMGZGWWON-WFASDCNBSA-N 0 3 287.428 3.909 20 10 CHCDHN Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000834639752 1131689973 /nfs/dbraw/zinc/68/99/73/1131689973.db2.gz ASQRMYFGIKFAKU-IAGOWNOFSA-N 0 3 279.383 3.965 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CC(c3ccccc3)C1)CC2 ZINC000834640974 1131689983 /nfs/dbraw/zinc/68/99/83/1131689983.db2.gz VDEFTRSLHISLCA-JCYILVPMSA-N 0 3 279.383 3.915 20 10 CHCDHN C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccccc1[O-] ZINC000846185853 1131697800 /nfs/dbraw/zinc/69/78/00/1131697800.db2.gz UDTRKNACVWEWIU-ZLKJLUDKSA-N 0 3 271.763 3.748 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000846187594 1131697929 /nfs/dbraw/zinc/69/79/29/1131697929.db2.gz LDWNUOCXJKMDMT-UGSOOPFHSA-N 0 3 289.419 3.556 20 10 CHCDHN CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1(C)C ZINC000834766240 1131703623 /nfs/dbraw/zinc/70/36/23/1131703623.db2.gz RLDPWWKMHGJSLX-FVQBIDKESA-N 0 3 289.419 3.561 20 10 CHCDHN COC1CCC(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834766648 1131703705 /nfs/dbraw/zinc/70/37/05/1131703705.db2.gz WDRPVAJTBWRCGG-BCLQGDPASA-N 0 3 289.419 3.564 20 10 CHCDHN COCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCCC1 ZINC000834905836 1131728039 /nfs/dbraw/zinc/72/80/39/1131728039.db2.gz LRYLHIJRWNGRQB-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000834907258 1131730600 /nfs/dbraw/zinc/73/06/00/1131730600.db2.gz ZRBKKEQJFLYCRS-CWRNSKLLSA-N 0 3 259.393 3.787 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000834908200 1131730860 /nfs/dbraw/zinc/73/08/60/1131730860.db2.gz BTUWYVZZPFIKEU-GJZGRUSLSA-N 0 3 291.435 3.865 20 10 CHCDHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1cccnc1 ZINC000835036712 1131761042 /nfs/dbraw/zinc/76/10/42/1131761042.db2.gz QMLDXOOEVKCNNM-VOKGJARPSA-N 0 3 281.403 3.512 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c1[O-] ZINC000835060005 1131767106 /nfs/dbraw/zinc/76/71/06/1131767106.db2.gz NXHLPDJEUVJAKY-LBPRGKRZSA-N 0 3 297.826 3.649 20 10 CHCDHN COc1ccccc1[C@@H](C)NCc1ccc(N(C)C)c(C)c1 ZINC000773002875 1131916575 /nfs/dbraw/zinc/91/65/75/1131916575.db2.gz ZOELFLLVECMYIX-OAHLLOKOSA-N 0 3 298.430 3.920 20 10 CHCDHN CC(C)O[C@@H](C[N@H+](C)Cc1ccccc1[O-])c1ccccc1 ZINC000794412480 1131917817 /nfs/dbraw/zinc/91/78/17/1131917817.db2.gz PJMPKRWVLJCZEA-IBGZPJMESA-N 0 3 299.414 3.990 20 10 CHCDHN CC(C)O[C@@H](C[N@@H+](C)Cc1ccccc1[O-])c1ccccc1 ZINC000794412480 1131917823 /nfs/dbraw/zinc/91/78/23/1131917823.db2.gz PJMPKRWVLJCZEA-IBGZPJMESA-N 0 3 299.414 3.990 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000712975639 1131959336 /nfs/dbraw/zinc/95/93/36/1131959336.db2.gz WIUOUKNTUFDRDB-WCQYABFASA-N 0 3 287.325 3.851 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2ccccc2C)c([O-])c1 ZINC001140949868 1131969800 /nfs/dbraw/zinc/96/98/00/1131969800.db2.gz OAZAQMKVKMMXHC-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2ccccc2C)c([O-])c1 ZINC001140949868 1131969806 /nfs/dbraw/zinc/96/98/06/1131969806.db2.gz OAZAQMKVKMMXHC-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001140950713 1131970474 /nfs/dbraw/zinc/97/04/74/1131970474.db2.gz FEMHWOKQCIHIBK-CABCVRRESA-N 0 3 259.393 3.713 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001140950713 1131970480 /nfs/dbraw/zinc/97/04/80/1131970480.db2.gz FEMHWOKQCIHIBK-CABCVRRESA-N 0 3 259.393 3.713 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001140951120 1131971730 /nfs/dbraw/zinc/97/17/30/1131971730.db2.gz ZOSNWXPCVLPRJK-GOEBONIOSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001140951120 1131971738 /nfs/dbraw/zinc/97/17/38/1131971738.db2.gz ZOSNWXPCVLPRJK-GOEBONIOSA-N 0 3 259.393 3.855 20 10 CHCDHN COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001140957702 1131973835 /nfs/dbraw/zinc/97/38/35/1131973835.db2.gz KHBWPKDARNGMQK-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001140957702 1131973841 /nfs/dbraw/zinc/97/38/41/1131973841.db2.gz KHBWPKDARNGMQK-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccccc1[O-] ZINC000715697810 1131990460 /nfs/dbraw/zinc/99/04/60/1131990460.db2.gz QLFKQEPUCUHSHK-TZMCWYRMSA-N 0 3 265.422 3.719 20 10 CHCDHN COc1ccccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037195517 1132008375 /nfs/dbraw/zinc/00/83/75/1132008375.db2.gz YISGIWGLTWGGGR-AWEZNQCLSA-N 0 3 284.403 3.612 20 10 CHCDHN CC[C@H](C)OCC[C@@H](C)[N@H+](CC)Cc1ccccc1[O-] ZINC001172356434 1132185842 /nfs/dbraw/zinc/18/58/42/1132185842.db2.gz YKXOLRLMJKCTNS-CABCVRRESA-N 0 3 279.424 3.808 20 10 CHCDHN CC[C@H](C)OCC[C@@H](C)[N@@H+](CC)Cc1ccccc1[O-] ZINC001172356434 1132185845 /nfs/dbraw/zinc/18/58/45/1132185845.db2.gz YKXOLRLMJKCTNS-CABCVRRESA-N 0 3 279.424 3.808 20 10 CHCDHN C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840771078 1132285615 /nfs/dbraw/zinc/28/56/15/1132285615.db2.gz AAKCBHWNTVXPJF-WMLDXEAASA-N 0 3 296.414 3.776 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000840858965 1132295524 /nfs/dbraw/zinc/29/55/24/1132295524.db2.gz FGEKWZMMQRBCCZ-OBJOEFQTSA-N 0 3 265.422 3.635 20 10 CHCDHN C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccccc1[O-] ZINC000840855859 1132295631 /nfs/dbraw/zinc/29/56/31/1132295631.db2.gz OQXHPZQAIJRHDV-CYBMUJFWSA-N 0 3 284.403 3.936 20 10 CHCDHN C[C@@H]1CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231467507 1132295772 /nfs/dbraw/zinc/29/57/72/1132295772.db2.gz HKAMRGBSCCXKHJ-CQSZACIVSA-N 0 3 283.371 3.565 20 10 CHCDHN C[C@@H]1CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001231467507 1132295778 /nfs/dbraw/zinc/29/57/78/1132295778.db2.gz HKAMRGBSCCXKHJ-CQSZACIVSA-N 0 3 283.371 3.565 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccccc1[O-] ZINC000840891059 1132304439 /nfs/dbraw/zinc/30/44/39/1132304439.db2.gz FJBJRFDOVDQYGV-INIZCTEOSA-N 0 3 284.403 3.806 20 10 CHCDHN Cc1cc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2C)on1 ZINC000840910771 1132309076 /nfs/dbraw/zinc/30/90/76/1132309076.db2.gz LWAACHKSAIOAMS-KRWDZBQOSA-N 0 3 299.418 3.695 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1c(C)cc(C)cc1O ZINC001231849971 1132379601 /nfs/dbraw/zinc/37/96/01/1132379601.db2.gz YAPFHOUHDJMCIK-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1c(C)cc(C)cc1O ZINC001231849971 1132379607 /nfs/dbraw/zinc/37/96/07/1132379607.db2.gz YAPFHOUHDJMCIK-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cc(F)ccc1[O-] ZINC000841761317 1132395634 /nfs/dbraw/zinc/39/56/34/1132395634.db2.gz IGVABUIPPXECBW-SWLSCSKDSA-N 0 3 295.398 3.513 20 10 CHCDHN CCCC[C@@H](CC(C)C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001173252496 1132423000 /nfs/dbraw/zinc/42/30/00/1132423000.db2.gz IZAUDXGXDVVXRK-AWEZNQCLSA-N 0 3 265.397 3.792 20 10 CHCDHN CCC[N@H+](Cc1cc(Cl)c([O-])cc1O)[C@H](C)CC ZINC001232257322 1132445309 /nfs/dbraw/zinc/44/53/09/1132445309.db2.gz AJWMOHSKIKKMEN-SNVBAGLBSA-N 0 3 271.788 3.762 20 10 CHCDHN CCC[N@@H+](Cc1cc(Cl)c([O-])cc1O)[C@H](C)CC ZINC001232257322 1132445312 /nfs/dbraw/zinc/44/53/12/1132445312.db2.gz AJWMOHSKIKKMEN-SNVBAGLBSA-N 0 3 271.788 3.762 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1c(C)cccc1OC ZINC001232625240 1132497058 /nfs/dbraw/zinc/49/70/58/1132497058.db2.gz LWXUTTXFUYNARB-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1c(C)cccc1OC ZINC001232625240 1132497063 /nfs/dbraw/zinc/49/70/63/1132497063.db2.gz LWXUTTXFUYNARB-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001203558465 1133340111 /nfs/dbraw/zinc/34/01/11/1133340111.db2.gz IFYLIIQVFJRSOQ-CYBMUJFWSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001203558465 1133340115 /nfs/dbraw/zinc/34/01/15/1133340115.db2.gz IFYLIIQVFJRSOQ-CYBMUJFWSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001203629121 1133346241 /nfs/dbraw/zinc/34/62/41/1133346241.db2.gz RFKVANYZUFUVKU-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001203629121 1133346247 /nfs/dbraw/zinc/34/62/47/1133346247.db2.gz RFKVANYZUFUVKU-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1ccc(C[N@H+](C)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC001203634384 1133346536 /nfs/dbraw/zinc/34/65/36/1133346536.db2.gz CFNJCULITTXVBD-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1ccc(C[N@@H+](C)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC001203634384 1133346541 /nfs/dbraw/zinc/34/65/41/1133346541.db2.gz CFNJCULITTXVBD-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN CCCCC1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203877931 1133377986 /nfs/dbraw/zinc/37/79/86/1133377986.db2.gz LLDPUFVINFOXEZ-UHFFFAOYSA-N 0 3 263.381 3.500 20 10 CHCDHN Oc1ccc(CN2CCC(c3cccs3)CC2)cc1O ZINC001203878643 1133378918 /nfs/dbraw/zinc/37/89/18/1133378918.db2.gz JIJSLHJAHOTYCM-UHFFFAOYSA-N 0 3 289.400 3.539 20 10 CHCDHN CN(Cc1cccs1)Cc1ccc(N2CCCC2)cc1 ZINC001204015212 1133399574 /nfs/dbraw/zinc/39/95/74/1133399574.db2.gz JYNIBSJINSJMLO-UHFFFAOYSA-N 0 3 286.444 3.980 20 10 CHCDHN CN(Cc1ccsc1)Cc1ccc(N2CCCC2)cc1 ZINC001204039252 1133402854 /nfs/dbraw/zinc/40/28/54/1133402854.db2.gz ROPZQHNQVHAPOP-UHFFFAOYSA-N 0 3 286.444 3.980 20 10 CHCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2[O-])c1 ZINC001204272315 1133426585 /nfs/dbraw/zinc/42/65/85/1133426585.db2.gz NGSMNSHBLITYOQ-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2[O-])c1 ZINC001204272315 1133426588 /nfs/dbraw/zinc/42/65/88/1133426588.db2.gz NGSMNSHBLITYOQ-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1cccc(C[N@H+](Cc2ccc(O)cc2[O-])C2CC2)c1C ZINC001204277718 1133427352 /nfs/dbraw/zinc/42/73/52/1133427352.db2.gz IXGIQNQMGDHOQV-UHFFFAOYSA-N 0 3 297.398 3.879 20 10 CHCDHN Cc1cccc(C[N@@H+](Cc2ccc(O)cc2[O-])C2CC2)c1C ZINC001204277718 1133427356 /nfs/dbraw/zinc/42/73/56/1133427356.db2.gz IXGIQNQMGDHOQV-UHFFFAOYSA-N 0 3 297.398 3.879 20 10 CHCDHN CC[N@H+](Cc1cccc2[nH]ccc21)Cc1ccccc1[O-] ZINC001205298207 1133556490 /nfs/dbraw/zinc/55/64/90/1133556490.db2.gz XIUARAISXKKINQ-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN CC[N@@H+](Cc1cccc2[nH]ccc21)Cc1ccccc1[O-] ZINC001205298207 1133556493 /nfs/dbraw/zinc/55/64/93/1133556493.db2.gz XIUARAISXKKINQ-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN CC(C)c1ccc(O)c(CN(C)Cc2cccnc2)c1 ZINC001205334806 1133564004 /nfs/dbraw/zinc/56/40/04/1133564004.db2.gz MOCSIYSKDKLBCB-UHFFFAOYSA-N 0 3 270.376 3.543 20 10 CHCDHN CC[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC001205471621 1133580178 /nfs/dbraw/zinc/58/01/78/1133580178.db2.gz OTMBQXDEVIWDIE-NWDGAFQWSA-N 0 3 282.378 3.651 20 10 CHCDHN CC(C)(C)c1cc(Nc2ccc3c(c2)OCCN3)ccn1 ZINC001209714302 1134054440 /nfs/dbraw/zinc/05/44/40/1134054440.db2.gz SXXGVTCMVKFPBT-UHFFFAOYSA-N 0 3 283.375 3.927 20 10 CHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)[C@H](C)CO1 ZINC000403825820 1134877697 /nfs/dbraw/zinc/87/76/97/1134877697.db2.gz MLRPVNSDAAPNMU-UKRRQHHQSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H](C)CO1 ZINC000403825820 1134877705 /nfs/dbraw/zinc/87/77/05/1134877705.db2.gz MLRPVNSDAAPNMU-UKRRQHHQSA-N 0 3 285.387 3.545 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000186529564 262315885 /nfs/dbraw/zinc/31/58/85/262315885.db2.gz ADNJQLKBDLHHRS-AWEZNQCLSA-N 0 3 265.397 3.556 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019906702 170918787 /nfs/dbraw/zinc/91/87/87/170918787.db2.gz IDCUEMWTOVTKED-UHFFFAOYSA-N 0 3 281.277 3.701 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H](C)c2ccccc2C)c1[O-] ZINC000020126189 171010493 /nfs/dbraw/zinc/01/04/93/171010493.db2.gz ONBGJLHBUJRTMT-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccccc1[O-] ZINC000020146312 171032351 /nfs/dbraw/zinc/03/23/51/171032351.db2.gz NDVFPPDDTHVHQS-KRWDZBQOSA-N 0 3 290.451 3.555 20 10 CHCDHN C[C@@H]([NH2+]CCCOC1CCCCC1)c1ccccc1[O-] ZINC000020191437 171057822 /nfs/dbraw/zinc/05/78/22/171057822.db2.gz POOHXNQPNWHOJI-CQSZACIVSA-N 0 3 277.408 3.782 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1[O-] ZINC000020204259 171069798 /nfs/dbraw/zinc/06/97/98/171069798.db2.gz YTLCKFNSHLBJDU-RISCZKNCSA-N 0 3 257.333 3.713 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(C)cc1 ZINC000037048091 172914721 /nfs/dbraw/zinc/91/47/21/172914721.db2.gz IMAYSANDEWDDMW-INIZCTEOSA-N 0 3 255.361 3.942 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1ccccc1[O-] ZINC000037763989 173690500 /nfs/dbraw/zinc/69/05/00/173690500.db2.gz UFCAIHTZFSGTDN-VXGBXAGGSA-N 0 3 259.324 3.943 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2[O-])s1 ZINC000071408383 176156714 /nfs/dbraw/zinc/15/67/14/176156714.db2.gz VMNSVQRAZPZJPM-LBPRGKRZSA-N 0 3 261.390 3.921 20 10 CHCDHN COc1ccc(CNCc2ccc(C)cc2)cc1C ZINC000035052632 260006396 /nfs/dbraw/zinc/00/63/96/260006396.db2.gz CDTBQPACSNDRJE-UHFFFAOYSA-N 0 3 255.361 3.602 20 10 CHCDHN COc1cccc([C@@H](C)NCc2ccc(OC)c(C)c2)c1 ZINC000037771476 260116316 /nfs/dbraw/zinc/11/63/16/260116316.db2.gz XVLDDEODCRHLQH-CQSZACIVSA-N 0 3 285.387 3.863 20 10 CHCDHN COCc1ccccc1C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000037762789 260117080 /nfs/dbraw/zinc/11/70/80/260117080.db2.gz GRAZISLXJDRBHH-CQSZACIVSA-N 0 3 285.387 3.698 20 10 CHCDHN CC[C@H]([NH2+]CCCCNc1ccccn1)c1ccccc1[O-] ZINC000155601059 261104811 /nfs/dbraw/zinc/10/48/11/261104811.db2.gz BAKGDJQYUMJCGT-INIZCTEOSA-N 0 3 299.418 3.720 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])cc1F ZINC000184927608 262034328 /nfs/dbraw/zinc/03/43/28/262034328.db2.gz MZHSQROQQFDHDK-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1ccc(CN[C@@H](C)c2cc(C)ccc2O)cc1F ZINC000184927608 262034329 /nfs/dbraw/zinc/03/43/29/262034329.db2.gz MZHSQROQQFDHDK-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN COCc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184942430 262035076 /nfs/dbraw/zinc/03/50/76/262035076.db2.gz NNCAQDFROOFPCJ-GFCCVEGCSA-N 0 3 289.350 3.529 20 10 CHCDHN COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000186156333 262081973 /nfs/dbraw/zinc/08/19/73/262081973.db2.gz XUSCBDMWCUTQOS-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN COc1cc(F)cc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000186216503 262084317 /nfs/dbraw/zinc/08/43/17/262084317.db2.gz DWHUDZKMSQHOLU-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1cc(F)cc(CN[C@H](C)c2cc(C)ccc2O)c1 ZINC000186216503 262084318 /nfs/dbraw/zinc/08/43/18/262084318.db2.gz DWHUDZKMSQHOLU-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186433577 262093497 /nfs/dbraw/zinc/09/34/97/262093497.db2.gz SARXEURNEXYNNY-AWEZNQCLSA-N 0 3 295.304 3.828 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)c2nccs2)c1 ZINC000186727384 262322374 /nfs/dbraw/zinc/32/23/74/262322374.db2.gz QHJJXZNQKUQFKX-RYUDHWBXSA-N 0 3 276.405 3.611 20 10 CHCDHN C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1[O-] ZINC000060717653 262391809 /nfs/dbraw/zinc/39/18/09/262391809.db2.gz FPXPTKRWUAQYHG-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CCO2 ZINC000274413182 263023837 /nfs/dbraw/zinc/02/38/37/263023837.db2.gz SGQQHAUKBQBIMW-WBMJQRKESA-N 0 3 299.370 3.575 20 10 CHCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000282071838 263074064 /nfs/dbraw/zinc/07/40/64/263074064.db2.gz QPKJLBSNKWYQQH-GFCCVEGCSA-N 0 3 299.361 3.706 20 10 CHCDHN Cc1cc([O-])c(C[NH+]2CCC(c3ccccn3)CC2)cc1C ZINC000371319906 267388263 /nfs/dbraw/zinc/38/82/63/267388263.db2.gz WPSRSZGBBXPBAB-UHFFFAOYSA-N 0 3 296.414 3.784 20 10 CHCDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc(C)ccc1O)CO2 ZINC000373265104 267658384 /nfs/dbraw/zinc/65/83/84/267658384.db2.gz IDFLYKXCPCBUSJ-BBRMVZONSA-N 0 3 283.371 3.793 20 10 CHCDHN C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185351919 327838235 /nfs/dbraw/zinc/83/82/35/327838235.db2.gz GXJSDVYARGAMMP-RYUDHWBXSA-N 0 3 289.350 3.519 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000285134389 328247454 /nfs/dbraw/zinc/24/74/54/328247454.db2.gz LOFPBIHZDGZPAZ-LSDHHAIUSA-N 0 3 289.419 3.761 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cccs1 ZINC000037362890 326919190 /nfs/dbraw/zinc/91/91/90/326919190.db2.gz GKQAYSFTGURXQK-LLVKDONJSA-N 0 3 259.374 3.534 20 10 CHCDHN C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184570434 329260099 /nfs/dbraw/zinc/26/00/99/329260099.db2.gz GVHHDCFXEAUEEC-LRDDRELGSA-N 0 3 286.350 3.509 20 10 CHCDHN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184570434 329260100 /nfs/dbraw/zinc/26/01/00/329260100.db2.gz GVHHDCFXEAUEEC-LRDDRELGSA-N 0 3 286.350 3.509 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)c1[O-] ZINC000527925532 330296479 /nfs/dbraw/zinc/29/64/79/330296479.db2.gz MLGQMLYJFKPDKF-CHWSQXEVSA-N 0 3 297.826 3.821 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000527975901 330301931 /nfs/dbraw/zinc/30/19/31/330301931.db2.gz BKCMGXZARXWJII-KBPBESRZSA-N 0 3 275.392 3.798 20 10 CHCDHN Cc1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1[O-] ZINC000154657287 330663244 /nfs/dbraw/zinc/66/32/44/330663244.db2.gz OADGJFRHKMPOSD-CQSZACIVSA-N 0 3 273.401 3.929 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1 ZINC000195287402 331166194 /nfs/dbraw/zinc/16/61/94/331166194.db2.gz BLNTZBJDKIHNBX-CQSZACIVSA-N 0 3 296.414 3.625 20 10 CHCDHN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226583152 333265346 /nfs/dbraw/zinc/26/53/46/333265346.db2.gz NECLQHIGIZYABD-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc([N+](=O)[O-])c1 ZINC000295992121 334904898 /nfs/dbraw/zinc/90/48/98/334904898.db2.gz NUFDGPWWIFAWPO-IAQYHMDHSA-N 0 3 298.342 3.639 20 10 CHCDHN CCCOc1ccc(C[NH2+]C2(c3ccccc3)CC2)c([O-])c1 ZINC000264565251 520364524 /nfs/dbraw/zinc/36/45/24/520364524.db2.gz SVULMXALYVJEEA-UHFFFAOYSA-N 0 3 297.398 3.960 20 10 CHCDHN CCCOc1ccc(CN[C@@H](C)c2ccc(C)o2)c(O)c1 ZINC000101589497 520371518 /nfs/dbraw/zinc/37/15/18/520371518.db2.gz BLPNXGWYDGHPDW-ZDUSSCGKSA-N 0 3 289.375 3.933 20 10 CHCDHN CCOC1CC(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000276707481 521645429 /nfs/dbraw/zinc/64/54/29/521645429.db2.gz WKLBJIKQHPGWBJ-FHERZECASA-N 0 3 291.435 3.865 20 10 CHCDHN CCOC1CC(CC[NH2+][C@H](CC)c2ccc(C)cc2[O-])C1 ZINC000280138340 521646918 /nfs/dbraw/zinc/64/69/18/521646918.db2.gz POAJWGRVPSCGBT-VMBOVVBDSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1ccc(C)cc1[O-] ZINC000279977635 522721412 /nfs/dbraw/zinc/72/14/12/522721412.db2.gz DIQNVQYNVFHRMH-HFTRVMKXSA-N 0 3 291.435 3.945 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280159016 522876607 /nfs/dbraw/zinc/87/66/07/522876607.db2.gz QQLRWPMSYYNFDQ-QGZVFWFLSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(C)cc1[O-] ZINC000280274250 522952434 /nfs/dbraw/zinc/95/24/34/522952434.db2.gz YATCFJANFWAJCD-GOEBONIOSA-N 0 3 289.419 3.843 20 10 CHCDHN Cc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000094616895 524434569 /nfs/dbraw/zinc/43/45/69/524434569.db2.gz GCRBGSRUBVPTFJ-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061359915 524756578 /nfs/dbraw/zinc/75/65/78/524756578.db2.gz GRRVKUXIDVRHMM-CQSZACIVSA-N 0 3 289.400 3.630 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000037075042 524756871 /nfs/dbraw/zinc/75/68/71/524756871.db2.gz BORBHRIXPAEASO-GOSISDBHSA-N 0 3 283.371 3.642 20 10 CHCDHN COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000094618474 525328659 /nfs/dbraw/zinc/32/86/59/525328659.db2.gz ZGOJSUWESJRWPD-RYUDHWBXSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1ccc(O)c(CN[C@@H](C)c2ccc(F)cc2F)c1 ZINC000071407297 525351582 /nfs/dbraw/zinc/35/15/82/525351582.db2.gz AWYUSDULKURCNU-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccs1 ZINC000050286240 525531568 /nfs/dbraw/zinc/53/15/68/525531568.db2.gz WRSIONHEWJFIME-CYBMUJFWSA-N 0 3 286.444 3.981 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccccc1[O-] ZINC000049154517 525601404 /nfs/dbraw/zinc/60/14/04/525601404.db2.gz BKRMWDVAUHISKD-NWDGAFQWSA-N 0 3 261.390 3.736 20 10 CHCDHN COc1cccc(C[NH2+]Cc2cc(C)c(C)cc2C)c1[O-] ZINC000265107111 526024231 /nfs/dbraw/zinc/02/42/31/526024231.db2.gz VKWDGHAVGZOMHB-UHFFFAOYSA-N 0 3 285.387 3.616 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092507 526372846 /nfs/dbraw/zinc/37/28/46/526372846.db2.gz JXKYUOIZZSBDFO-UHFFFAOYSA-N 0 3 273.298 3.603 20 10 CHCDHN Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[O-] ZINC000290340323 526513515 /nfs/dbraw/zinc/51/35/15/526513515.db2.gz FJCDBQSYCBLQDD-INIZCTEOSA-N 0 3 299.418 3.849 20 10 CHCDHN Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1ccccc1[O-] ZINC000290340323 526513520 /nfs/dbraw/zinc/51/35/20/526513520.db2.gz FJCDBQSYCBLQDD-INIZCTEOSA-N 0 3 299.418 3.849 20 10 CHCDHN CCOc1cccc(C[N@H+](C)C2CCC(C)CC2)c1[O-] ZINC000133507849 1125464300 /nfs/dbraw/zinc/46/43/00/1125464300.db2.gz VSBBRZDQVDHNNU-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)C2CCC(C)CC2)c1[O-] ZINC000133507849 1125464301 /nfs/dbraw/zinc/46/43/01/1125464301.db2.gz VSBBRZDQVDHNNU-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c([O-])c1 ZINC000185528100 1117839099 /nfs/dbraw/zinc/83/90/99/1117839099.db2.gz JCAVJRGASMXXER-RHSMWYFYSA-N 0 3 279.424 3.538 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C2CCCCCC2)c1[O-] ZINC000076274331 1118284136 /nfs/dbraw/zinc/28/41/36/1118284136.db2.gz DJNKFHQCLREAEC-UHFFFAOYSA-N 0 3 283.799 3.867 20 10 CHCDHN CCOc1cccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000093102888 1118587942 /nfs/dbraw/zinc/58/79/42/1118587942.db2.gz SZCXIMFBQVAAOW-BETUJISGSA-N 0 3 263.381 3.554 20 10 CHCDHN CCOc1cccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000093102888 1118587946 /nfs/dbraw/zinc/58/79/46/1118587946.db2.gz SZCXIMFBQVAAOW-BETUJISGSA-N 0 3 263.381 3.554 20 10 CHCDHN CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC1CC1 ZINC000112200273 1123483753 /nfs/dbraw/zinc/48/37/53/1123483753.db2.gz WSEGTGKTDNNDBT-UHFFFAOYSA-N 0 3 277.408 3.627 20 10 CHCDHN CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC1CC1 ZINC000112200273 1123483754 /nfs/dbraw/zinc/48/37/54/1123483754.db2.gz WSEGTGKTDNNDBT-UHFFFAOYSA-N 0 3 277.408 3.627 20 10 CHCDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccns2)c(O)c1C ZINC000858575587 1123663984 /nfs/dbraw/zinc/66/39/84/1123663984.db2.gz BLRDDKNFWXWEAS-NEPJUHHUSA-N 0 3 276.405 3.877 20 10 CHCDHN CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794809927 1123956626 /nfs/dbraw/zinc/95/66/26/1123956626.db2.gz RXHXCVUTDUTWRC-UKPHBRMFSA-N 0 3 279.424 3.538 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1csc2ccccc12 ZINC000134227340 1125543819 /nfs/dbraw/zinc/54/38/19/1125543819.db2.gz ZLPWJDTVMZOELL-UHFFFAOYSA-N 0 3 269.369 3.897 20 10 CHCDHN Oc1ccccc1CNCc1cccc(Cl)c1Cl ZINC000134231024 1125545484 /nfs/dbraw/zinc/54/54/84/1125545484.db2.gz GDUPMKCWNGAJTC-UHFFFAOYSA-N 0 3 282.170 3.989 20 10 CHCDHN C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617882 1129448300 /nfs/dbraw/zinc/44/83/00/1129448300.db2.gz CKBYQARLIPUVJS-MNOVXSKESA-N 0 3 279.380 3.875 20 10 CHCDHN CCC[N@H+](Cc1ccc(Cl)nc1)Cc1ccccc1[O-] ZINC000174373975 1126769406 /nfs/dbraw/zinc/76/94/06/1126769406.db2.gz DGVXODJUIAESIH-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN CCC[N@@H+](Cc1ccc(Cl)nc1)Cc1ccccc1[O-] ZINC000174373975 1126769409 /nfs/dbraw/zinc/76/94/09/1126769409.db2.gz DGVXODJUIAESIH-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN C[C@@H]([NH2+]CCCCC(F)(F)F)c1ccccc1[O-] ZINC000148808348 1126863686 /nfs/dbraw/zinc/86/36/86/1126863686.db2.gz MBPYWIOKGNWOEY-SNVBAGLBSA-N 0 3 261.287 3.775 20 10 CHCDHN C[C@@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000183467307 1126887525 /nfs/dbraw/zinc/88/75/25/1126887525.db2.gz WAWHYULJGQOWFP-CCKFTAQKSA-N 0 3 297.398 3.963 20 10 CHCDHN COc1cc(C)ccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183555821 1126888912 /nfs/dbraw/zinc/88/89/12/1126888912.db2.gz WGAPWPOBMIVFQF-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(Cl)o2)c1 ZINC000698077357 1127038992 /nfs/dbraw/zinc/03/89/92/1127038992.db2.gz ZPEMQEQJLQUENK-JTQLQIEISA-N 0 3 265.740 3.798 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CCO)CCCC2)c([O-])c1 ZINC000283900759 1127163043 /nfs/dbraw/zinc/16/30/43/1127163043.db2.gz CXMXUSNMVSEKBC-HNNXBMFYSA-N 0 3 291.435 3.602 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CCO)CCCC2)c([O-])c1 ZINC000283900770 1127163064 /nfs/dbraw/zinc/16/30/64/1127163064.db2.gz CXMXUSNMVSEKBC-OAHLLOKOSA-N 0 3 291.435 3.602 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCCC23CC3)cc1Br ZINC001237676527 1131126326 /nfs/dbraw/zinc/12/63/26/1131126326.db2.gz KGRHAAZTPAXQIK-UHFFFAOYSA-N 0 3 296.208 3.592 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCCC23CC3)cc1Br ZINC001237676527 1131126330 /nfs/dbraw/zinc/12/63/30/1131126330.db2.gz KGRHAAZTPAXQIK-UHFFFAOYSA-N 0 3 296.208 3.592 20 10 CHCDHN COCC(C)(C)CCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000287033162 1127283564 /nfs/dbraw/zinc/28/35/64/1127283564.db2.gz LYDYAXHWDZCLJY-CQSZACIVSA-N 0 3 279.424 3.804 20 10 CHCDHN COCC(C)(C)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000287217972 1127297054 /nfs/dbraw/zinc/29/70/54/1127297054.db2.gz XIGBQXAQWIDCHA-LBPRGKRZSA-N 0 3 283.387 3.635 20 10 CHCDHN CC[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226611034 1127412431 /nfs/dbraw/zinc/41/24/31/1127412431.db2.gz WBYQVJGSCGGRNO-SMDDNHRTSA-N 0 3 251.345 3.590 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1OC ZINC000226584458 1127412498 /nfs/dbraw/zinc/41/24/98/1127412498.db2.gz SLQJJROKMVTWJV-OAHLLOKOSA-N 0 3 289.350 3.781 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000158091717 1127437449 /nfs/dbraw/zinc/43/74/49/1127437449.db2.gz BQKWRKCQVJGZMH-UHFFFAOYSA-N 0 3 299.267 3.840 20 10 CHCDHN CC[C@H]([NH2+]CCC1(COC)CCC1)c1ccccc1[O-] ZINC000293567970 1127506281 /nfs/dbraw/zinc/50/62/81/1127506281.db2.gz BBJRXTVNCWLAHE-HNNXBMFYSA-N 0 3 277.408 3.640 20 10 CHCDHN Cc1ccsc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295954954 1129219796 /nfs/dbraw/zinc/21/97/96/1129219796.db2.gz LTMYWYPVJUXYHH-GFCCVEGCSA-N 0 3 259.374 3.539 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2CCSCC2)c([O-])c1 ZINC000293792330 1127520549 /nfs/dbraw/zinc/52/05/49/1127520549.db2.gz QQZBDIORQUSMLL-ZDUSSCGKSA-N 0 3 279.449 3.803 20 10 CHCDHN Nc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC001120371520 1127522278 /nfs/dbraw/zinc/52/22/78/1127522278.db2.gz ZXCSWGQJHFTCSI-UHFFFAOYSA-N 0 3 272.779 3.701 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCCO1 ZINC000761229653 1127553309 /nfs/dbraw/zinc/55/33/09/1127553309.db2.gz RWIHNFJHSKQPNU-GOSISDBHSA-N 0 3 297.398 3.670 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCCO1 ZINC000761229653 1127553311 /nfs/dbraw/zinc/55/33/11/1127553311.db2.gz RWIHNFJHSKQPNU-GOSISDBHSA-N 0 3 297.398 3.670 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC000228631165 1127576328 /nfs/dbraw/zinc/57/63/28/1127576328.db2.gz SKMCTMWNNIIWDB-SMDDNHRTSA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC000228631165 1127576331 /nfs/dbraw/zinc/57/63/31/1127576331.db2.gz SKMCTMWNNIIWDB-SMDDNHRTSA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)C(C)(C)C)c1[O-] ZINC000228674526 1127584041 /nfs/dbraw/zinc/58/40/41/1127584041.db2.gz BGHTZJXLOXYAIF-JTQLQIEISA-N 0 3 285.815 3.826 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)C(C)(C)C)c1[O-] ZINC000228674516 1127584138 /nfs/dbraw/zinc/58/41/38/1127584138.db2.gz BGHTZJXLOXYAIF-SNVBAGLBSA-N 0 3 285.815 3.826 20 10 CHCDHN CC(C)(CO)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000294879137 1127606388 /nfs/dbraw/zinc/60/63/88/1127606388.db2.gz VLFSDTDYQGOFNE-UHFFFAOYSA-N 0 3 299.414 3.557 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccccc1[O-] ZINC000362488601 1127639388 /nfs/dbraw/zinc/63/93/88/1127639388.db2.gz RVMJOJRSDLWNFO-MJGOQNOKSA-N 0 3 297.398 3.747 20 10 CHCDHN CCCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296179932 1127664359 /nfs/dbraw/zinc/66/43/59/1127664359.db2.gz YCKKOGXNESKNFQ-KRWDZBQOSA-N 0 3 297.398 3.958 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000296555996 1127675947 /nfs/dbraw/zinc/67/59/47/1127675947.db2.gz RUOKIMDVOOORFL-SNVBAGLBSA-N 0 3 296.292 3.657 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(c3cccc(F)c3)CC1)CC2 ZINC000296646054 1127679977 /nfs/dbraw/zinc/67/99/77/1127679977.db2.gz DAQKWSHKTXIYGY-OAHLLOKOSA-N 0 3 283.346 3.798 20 10 CHCDHN COc1ccc(CN[C@@H](C)c2ccsc2)cc1C ZINC000061361603 1127685420 /nfs/dbraw/zinc/68/54/20/1127685420.db2.gz BSAICHHQRZUCMI-LBPRGKRZSA-N 0 3 261.390 3.916 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCOc3ccccc31)CC2 ZINC000297551410 1127699258 /nfs/dbraw/zinc/69/92/58/1127699258.db2.gz FRGQRECSVJITRT-GDBMZVCRSA-N 0 3 295.382 3.535 20 10 CHCDHN CC(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccnc1 ZINC000297619699 1127701614 /nfs/dbraw/zinc/70/16/14/1127701614.db2.gz IWGOPEIVBAMFMI-DLBZAZTESA-N 0 3 296.414 3.804 20 10 CHCDHN Cc1ccc(O)c(CN[C@H]2COc3c2cccc3Cl)c1 ZINC000365943898 1127741546 /nfs/dbraw/zinc/74/15/46/1127741546.db2.gz AVBCPBJBACDLEG-AWEZNQCLSA-N 0 3 289.762 3.577 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c1[O-] ZINC000230407283 1127752067 /nfs/dbraw/zinc/75/20/67/1127752067.db2.gz FTIURANCXNKSLK-MNOVXSKESA-N 0 3 283.799 3.580 20 10 CHCDHN CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000230662612 1127772020 /nfs/dbraw/zinc/77/20/20/1127772020.db2.gz RWLOIORZDBHVMN-CYZMBNFOSA-N 0 3 283.412 3.856 20 10 CHCDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C)cc1O)CO2 ZINC000373263965 1127831187 /nfs/dbraw/zinc/83/11/87/1127831187.db2.gz ALZQDANLCCULLR-BBRMVZONSA-N 0 3 283.371 3.793 20 10 CHCDHN CSCC1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296475482 1129223010 /nfs/dbraw/zinc/22/30/10/1129223010.db2.gz NYTDEGUHLLMVNK-PESDSKBTSA-N 0 3 291.460 3.891 20 10 CHCDHN Cc1cccc2c(CC[NH2+]Cc3ccccc3[O-])c[nH]c21 ZINC000174448239 1127893543 /nfs/dbraw/zinc/89/35/43/1127893543.db2.gz RKTOVWMXJVZLCS-UHFFFAOYSA-N 0 3 280.371 3.514 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1ccccc1[O-] ZINC000800492512 1127899815 /nfs/dbraw/zinc/89/98/15/1127899815.db2.gz JYCABQOCXLBIQD-CQSZACIVSA-N 0 3 290.794 3.990 20 10 CHCDHN CCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCC1 ZINC000230935170 1127988207 /nfs/dbraw/zinc/98/82/07/1127988207.db2.gz LHYLSHQZRPPBMK-UHFFFAOYSA-N 0 3 283.799 3.724 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)c([O-])c1 ZINC000926915064 1128202218 /nfs/dbraw/zinc/20/22/18/1128202218.db2.gz DMQHDCZNKMPHFU-YXJHDRRASA-N 0 3 289.419 3.619 20 10 CHCDHN Cc1ccc(OC[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000040499381 1128522588 /nfs/dbraw/zinc/52/25/88/1128522588.db2.gz OLIAQGPRKMBCML-GJZGRUSLSA-N 0 3 285.387 3.819 20 10 CHCDHN CCO[C@@H](CC[NH2+][C@@H](CC)c1ccccc1[O-])C(C)C ZINC000156164499 1128628847 /nfs/dbraw/zinc/62/88/47/1128628847.db2.gz MOOSWOKYJLMMEE-RDJZCZTQSA-N 0 3 279.424 3.884 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000778998137 1128675518 /nfs/dbraw/zinc/67/55/18/1128675518.db2.gz IPWXLVCDWLCLNC-KRWDZBQOSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000778998137 1128675521 /nfs/dbraw/zinc/67/55/21/1128675521.db2.gz IPWXLVCDWLCLNC-KRWDZBQOSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000778996062 1128675534 /nfs/dbraw/zinc/67/55/34/1128675534.db2.gz LJWNOXWGHDRCFD-UHFFFAOYSA-N 0 3 271.335 3.696 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000778996062 1128675537 /nfs/dbraw/zinc/67/55/37/1128675537.db2.gz LJWNOXWGHDRCFD-UHFFFAOYSA-N 0 3 271.335 3.696 20 10 CHCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])Cc2ccccc21 ZINC000779020691 1128683221 /nfs/dbraw/zinc/68/32/21/1128683221.db2.gz OJSUCBWLXGDKEH-UHFFFAOYSA-N 0 3 267.372 3.686 20 10 CHCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])Cc2ccccc21 ZINC000779020691 1128683223 /nfs/dbraw/zinc/68/32/23/1128683223.db2.gz OJSUCBWLXGDKEH-UHFFFAOYSA-N 0 3 267.372 3.686 20 10 CHCDHN C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779020261 1128683571 /nfs/dbraw/zinc/68/35/71/1128683571.db2.gz LBGSTMVPFPJIGN-ZFWWWQNUSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779020261 1128683574 /nfs/dbraw/zinc/68/35/74/1128683574.db2.gz LBGSTMVPFPJIGN-ZFWWWQNUSA-N 0 3 285.362 3.909 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(C)c1 ZINC000185066833 1117759054 /nfs/dbraw/zinc/75/90/54/1117759054.db2.gz IAAFPWXNFMUXMS-ZDUSSCGKSA-N 0 3 273.351 3.999 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCOc2cccc(F)c2)c([O-])c1 ZINC000185106326 1117764774 /nfs/dbraw/zinc/76/47/74/1117764774.db2.gz CRSSOUJLAZGTFP-ZDUSSCGKSA-N 0 3 289.350 3.569 20 10 CHCDHN CCCC(O)(CCC)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185500805 1117830013 /nfs/dbraw/zinc/83/00/13/1117830013.db2.gz APPANDUSHDGXJO-AWEZNQCLSA-N 0 3 279.424 3.683 20 10 CHCDHN CC1(C)C[N@H+](Cc2cc(F)ccc2[O-])Cc2ccccc21 ZINC001140059153 1118079897 /nfs/dbraw/zinc/07/98/97/1118079897.db2.gz WCONXVKUPBTXBL-UHFFFAOYSA-N 0 3 285.362 3.825 20 10 CHCDHN CC1(C)C[N@@H+](Cc2cc(F)ccc2[O-])Cc2ccccc21 ZINC001140059153 1118079899 /nfs/dbraw/zinc/07/98/99/1118079899.db2.gz WCONXVKUPBTXBL-UHFFFAOYSA-N 0 3 285.362 3.825 20 10 CHCDHN Cc1ccccc1OCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179874722 1128763891 /nfs/dbraw/zinc/76/38/91/1128763891.db2.gz HSPAFHYTBDKVCG-HNNXBMFYSA-N 0 3 285.387 3.820 20 10 CHCDHN C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000179899065 1128764191 /nfs/dbraw/zinc/76/41/91/1128764191.db2.gz NOAFLZSUMYVRFM-JKIFEVAISA-N 0 3 277.408 3.638 20 10 CHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000179937339 1128766929 /nfs/dbraw/zinc/76/69/29/1128766929.db2.gz MAJFWUUSHKCKJV-CYBMUJFWSA-N 0 3 298.361 3.986 20 10 CHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000179937339 1128766930 /nfs/dbraw/zinc/76/69/30/1128766930.db2.gz MAJFWUUSHKCKJV-CYBMUJFWSA-N 0 3 298.361 3.986 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000186184053 1118288578 /nfs/dbraw/zinc/28/85/78/1118288578.db2.gz KNHPEAHHUPSMFG-PBHICJAKSA-N 0 3 297.398 3.999 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1c(C)noc1C ZINC000186187598 1118291545 /nfs/dbraw/zinc/29/15/45/1118291545.db2.gz NTLVJJDHVCFSHH-LKFCYVNXSA-N 0 3 292.354 3.938 20 10 CHCDHN Oc1ccccc1CNCc1sccc1Br ZINC000082432890 1118563794 /nfs/dbraw/zinc/56/37/94/1118563794.db2.gz WIXUSLIFVKIXIU-UHFFFAOYSA-N 0 3 298.205 3.506 20 10 CHCDHN CCC[N@H+](Cc1cnc(F)c(C)c1)Cc1ccccc1[O-] ZINC000891853423 1118804028 /nfs/dbraw/zinc/80/40/28/1118804028.db2.gz LXQSBUBLJYPGOH-UHFFFAOYSA-N 0 3 288.366 3.647 20 10 CHCDHN CCC[N@@H+](Cc1cnc(F)c(C)c1)Cc1ccccc1[O-] ZINC000891853423 1118804031 /nfs/dbraw/zinc/80/40/31/1118804031.db2.gz LXQSBUBLJYPGOH-UHFFFAOYSA-N 0 3 288.366 3.647 20 10 CHCDHN Cc1cccc(C(C)(C)[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000180782636 1128811050 /nfs/dbraw/zinc/81/10/50/1128811050.db2.gz WXRDQXFJWMMDRI-UHFFFAOYSA-N 0 3 273.351 3.865 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC000051630737 1119061508 /nfs/dbraw/zinc/06/15/08/1119061508.db2.gz IRQWBDUFNAHYGW-RHSMWYFYSA-N 0 3 281.399 3.909 20 10 CHCDHN C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000077428682 1119195249 /nfs/dbraw/zinc/19/52/49/1119195249.db2.gz UGNCYYJWUPFHHA-HUUCEWRRSA-N 0 3 299.414 3.556 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2cnc(C)s2)cc1 ZINC000123660721 1119300710 /nfs/dbraw/zinc/30/07/10/1119300710.db2.gz FSPAUSNBYITNSI-GFCCVEGCSA-N 0 3 289.448 3.758 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccccc1[O-] ZINC000829237328 1119323310 /nfs/dbraw/zinc/32/33/10/1119323310.db2.gz UKAAWKBQMHDYCC-JTQLQIEISA-N 0 3 257.324 3.724 20 10 CHCDHN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccccc1[O-] ZINC000179576770 1119751917 /nfs/dbraw/zinc/75/19/17/1119751917.db2.gz YLCRFNSYHOGBER-WMLDXEAASA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1[O-] ZINC000179576770 1119751920 /nfs/dbraw/zinc/75/19/20/1119751920.db2.gz YLCRFNSYHOGBER-WMLDXEAASA-N 0 3 267.372 3.770 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1cccc2ccccc21 ZINC000052060498 1119777990 /nfs/dbraw/zinc/77/79/90/1119777990.db2.gz IIRJUXYNOVQYEY-UHFFFAOYSA-N 0 3 263.340 3.835 20 10 CHCDHN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cncc(F)c1 ZINC000177975183 1119893409 /nfs/dbraw/zinc/89/34/09/1119893409.db2.gz MNJQNGSFMHURNP-AWEZNQCLSA-N 0 3 299.393 3.672 20 10 CHCDHN CC[C@H](NCc1cc(F)ccc1F)c1ccccc1O ZINC000107929057 1120062583 /nfs/dbraw/zinc/06/25/83/1120062583.db2.gz OAHXSUXNJSRWRO-HNNXBMFYSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1[O-] ZINC000107929057 1120062590 /nfs/dbraw/zinc/06/25/90/1120062590.db2.gz OAHXSUXNJSRWRO-HNNXBMFYSA-N 0 3 277.314 3.911 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1cccc(O)c1 ZINC000921688989 1120114069 /nfs/dbraw/zinc/11/40/69/1120114069.db2.gz NTNRWRJBDYADPU-ZDUSSCGKSA-N 0 3 283.371 3.568 20 10 CHCDHN Cc1cc(C)nc(NCc2c(O)cccc2Cl)c1 ZINC000122349761 1120147971 /nfs/dbraw/zinc/14/79/71/1120147971.db2.gz LQKIRJXRODXILG-UHFFFAOYSA-N 0 3 262.740 3.670 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)c2ccccc2)c([O-])c1 ZINC000756419700 1120333034 /nfs/dbraw/zinc/33/30/34/1120333034.db2.gz WSSYHUMDLDDHEI-HZPDHXFCSA-N 0 3 298.430 3.876 20 10 CHCDHN COC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCCCC1 ZINC000186505293 1120342298 /nfs/dbraw/zinc/34/22/98/1120342298.db2.gz JYRWFNNWWVWNAZ-AWEZNQCLSA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000092327738 1120357275 /nfs/dbraw/zinc/35/72/75/1120357275.db2.gz GBFHXWGIOKBZDM-GHMZBOCLSA-N 0 3 274.364 3.717 20 10 CHCDHN COc1cccc(CNCc2ccc3c(c2)CCCO3)c1C ZINC000922267437 1120491220 /nfs/dbraw/zinc/49/12/20/1120491220.db2.gz PTAPALAUMXXVBN-UHFFFAOYSA-N 0 3 297.398 3.618 20 10 CHCDHN CN(Cc1ccccc1O)c1ccnc2ccccc21 ZINC000189999451 1120492481 /nfs/dbraw/zinc/49/24/81/1120492481.db2.gz VRRRXWRTIXGHDX-UHFFFAOYSA-N 0 3 264.328 3.577 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c([O-])c1 ZINC000186824225 1120674476 /nfs/dbraw/zinc/67/44/76/1120674476.db2.gz YZMQTROSMSTNHR-QILLFSRXSA-N 0 3 291.435 3.945 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000191681575 1128950715 /nfs/dbraw/zinc/95/07/15/1128950715.db2.gz RNYOGHDBVLWLMD-UHFFFAOYSA-N 0 3 271.335 3.699 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000223238760 1121069142 /nfs/dbraw/zinc/06/91/42/1121069142.db2.gz DRFYWBXOVUIBRS-DOMZBBRYSA-N 0 3 253.345 3.730 20 10 CHCDHN CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000094617002 1121215987 /nfs/dbraw/zinc/21/59/87/1121215987.db2.gz IITVNAXMBQVUSZ-WBMJQRKESA-N 0 3 296.430 3.548 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCSC1)c1ccccc1[O-] ZINC000704777412 1121368352 /nfs/dbraw/zinc/36/83/52/1121368352.db2.gz TZKPJKZLLYEKMG-JSGCOSHPSA-N 0 3 265.422 3.576 20 10 CHCDHN CC[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237124223 1128982315 /nfs/dbraw/zinc/98/23/15/1128982315.db2.gz YPEYPMFKKIEBJT-JTQLQIEISA-N 0 3 289.297 3.665 20 10 CHCDHN CC[C@H]1CCC[N@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237124223 1128982317 /nfs/dbraw/zinc/98/23/17/1128982317.db2.gz YPEYPMFKKIEBJT-JTQLQIEISA-N 0 3 289.297 3.665 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC23CC3)c1[O-] ZINC000706271197 1121424459 /nfs/dbraw/zinc/42/44/59/1121424459.db2.gz PRIQOVBUOXFCJD-GFCCVEGCSA-N 0 3 295.810 3.724 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000727467623 1121721083 /nfs/dbraw/zinc/72/10/83/1121721083.db2.gz JDGGWNHMLSIIBX-GOSISDBHSA-N 0 3 297.398 3.718 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1[O-] ZINC000797127926 1121845493 /nfs/dbraw/zinc/84/54/93/1121845493.db2.gz HOGHVZRBVGBDAM-DVYJOKAKSA-N 0 3 298.224 3.912 20 10 CHCDHN CCN(C)c1ccc(CN(C)[C@@H](C)c2cccnc2)cc1 ZINC000773808356 1121861915 /nfs/dbraw/zinc/86/19/15/1121861915.db2.gz KVACVQOXAOSNHO-HNNXBMFYSA-N 0 3 283.419 3.731 20 10 CHCDHN CC1(C)CCc2cc(C[NH2+]Cc3ccccc3[O-])ccc2O1 ZINC000731678502 1121880404 /nfs/dbraw/zinc/88/04/04/1121880404.db2.gz NNXKLNPQOCSVOQ-UHFFFAOYSA-N 0 3 297.398 3.786 20 10 CHCDHN CC[N@H+](Cc1cccs1)Cc1c(C)cc(OC)cc1[O-] ZINC001180108720 1121952095 /nfs/dbraw/zinc/95/20/95/1121952095.db2.gz XPPHIJUFOJYTJP-UHFFFAOYSA-N 0 3 291.416 3.793 20 10 CHCDHN CC[N@@H+](Cc1cccs1)Cc1c(C)cc(OC)cc1[O-] ZINC001180108720 1121952102 /nfs/dbraw/zinc/95/21/02/1121952102.db2.gz XPPHIJUFOJYTJP-UHFFFAOYSA-N 0 3 291.416 3.793 20 10 CHCDHN C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1[O-] ZINC000183100890 1129022777 /nfs/dbraw/zinc/02/27/77/1129022777.db2.gz XJEXBIWVLGQCNQ-ZDUSSCGKSA-N 0 3 273.351 3.815 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000779604089 1129031971 /nfs/dbraw/zinc/03/19/71/1129031971.db2.gz FZJVDMOJJWWKRB-GFCCVEGCSA-N 0 3 263.356 3.543 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000779604089 1129031974 /nfs/dbraw/zinc/03/19/74/1129031974.db2.gz FZJVDMOJJWWKRB-GFCCVEGCSA-N 0 3 263.356 3.543 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000192749811 1129033612 /nfs/dbraw/zinc/03/36/12/1129033612.db2.gz AVIIXEVAVDUYQA-QWHCGFSZSA-N 0 3 299.370 3.841 20 10 CHCDHN CC[C@@H]1CN(Cc2cc(C(C)C)ccc2O)C[C@H](CC)O1 ZINC001182461948 1122165739 /nfs/dbraw/zinc/16/57/39/1122165739.db2.gz MREREULEKOYZOC-CALCHBBNSA-N 0 3 291.435 3.905 20 10 CHCDHN CC(C)[N@H+](Cc1ccco1)Cc1cc(F)ccc1[O-] ZINC000272318349 1122197747 /nfs/dbraw/zinc/19/77/47/1122197747.db2.gz TVXUEIDGRNTDNY-UHFFFAOYSA-N 0 3 263.312 3.535 20 10 CHCDHN CC(C)[N@@H+](Cc1ccco1)Cc1cc(F)ccc1[O-] ZINC000272318349 1122197750 /nfs/dbraw/zinc/19/77/50/1122197750.db2.gz TVXUEIDGRNTDNY-UHFFFAOYSA-N 0 3 263.312 3.535 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000272803926 1122212052 /nfs/dbraw/zinc/21/20/52/1122212052.db2.gz BVOAYNYNDAAAAI-HEHGZKQESA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)c([O-])c1 ZINC001184351654 1122273403 /nfs/dbraw/zinc/27/34/03/1122273403.db2.gz RIWXNDVSDIRZJI-IBGZPJMESA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)c([O-])c1 ZINC001184351654 1122273406 /nfs/dbraw/zinc/27/34/06/1122273406.db2.gz RIWXNDVSDIRZJI-IBGZPJMESA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000192907562 1129046240 /nfs/dbraw/zinc/04/62/40/1129046240.db2.gz UIRNPGWWSRBRFJ-CRAIPNDOSA-N 0 3 298.430 3.654 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000155545398 1122429215 /nfs/dbraw/zinc/42/92/15/1122429215.db2.gz UDTAGQCEOGLRKF-GOSISDBHSA-N 0 3 298.430 3.742 20 10 CHCDHN CC(C)(C)[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000775202066 1122478783 /nfs/dbraw/zinc/47/87/83/1122478783.db2.gz YZPHNCHDLGFMDU-SFHVURJKSA-N 0 3 299.414 3.556 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1[O-] ZINC000183519921 1129059206 /nfs/dbraw/zinc/05/92/06/1129059206.db2.gz FUYHNKXYKIWXAJ-ZQIUZPCESA-N 0 3 291.435 3.884 20 10 CHCDHN Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183534421 1129060787 /nfs/dbraw/zinc/06/07/87/1129060787.db2.gz QBFCCSWOBVMVHP-GJZGRUSLSA-N 0 3 285.387 3.819 20 10 CHCDHN Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183534464 1129061185 /nfs/dbraw/zinc/06/11/85/1129061185.db2.gz QBFCCSWOBVMVHP-HUUCEWRRSA-N 0 3 285.387 3.819 20 10 CHCDHN CCC[C@@H]([NH2+]Cc1ccc(OC)cc1[O-])[C@@H]1CC1(C)C ZINC001205517485 1122539022 /nfs/dbraw/zinc/53/90/22/1122539022.db2.gz QYWAUFVBWGGTCP-LSDHHAIUSA-N 0 3 277.408 3.705 20 10 CHCDHN CC[C@@H]([NH2+]CCOc1ccccc1F)c1ccccc1[O-] ZINC000775414523 1122557177 /nfs/dbraw/zinc/55/71/77/1122557177.db2.gz NGGANYSKZPVRSF-OAHLLOKOSA-N 0 3 289.350 3.651 20 10 CHCDHN COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000183560061 1129065904 /nfs/dbraw/zinc/06/59/04/1129065904.db2.gz MPTHHTBVZDFVSB-WBMJQRKESA-N 0 3 283.371 3.739 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1[O-] ZINC000775513647 1122632805 /nfs/dbraw/zinc/63/28/05/1122632805.db2.gz QZFIFQXVFJBRSK-MRXNPFEDSA-N 0 3 291.341 3.954 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000183600120 1129068454 /nfs/dbraw/zinc/06/84/54/1129068454.db2.gz UKWFVBPAEDYNPA-FRFSOERESA-N 0 3 267.372 3.847 20 10 CHCDHN Cc1ncc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775582091 1122681751 /nfs/dbraw/zinc/68/17/51/1122681751.db2.gz LMGDGUPCSJMYEZ-NEPJUHHUSA-N 0 3 289.448 3.929 20 10 CHCDHN CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C1CCC1 ZINC000775712271 1122918426 /nfs/dbraw/zinc/91/84/26/1122918426.db2.gz OILGUZNWODVHQL-UHFFFAOYSA-N 0 3 253.773 3.728 20 10 CHCDHN CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C1CCC1 ZINC000775712271 1122918431 /nfs/dbraw/zinc/91/84/31/1122918431.db2.gz OILGUZNWODVHQL-UHFFFAOYSA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1cccc(CN[C@@H]2CSc3ccccc32)c1O ZINC000776208089 1123148195 /nfs/dbraw/zinc/14/81/95/1123148195.db2.gz VSVRFGDLKPGXJF-CQSZACIVSA-N 0 3 271.385 3.637 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCCC(F)(F)F)c1[O-] ZINC000776221513 1123155857 /nfs/dbraw/zinc/15/58/57/1123155857.db2.gz SDUDZRXEDWBBQS-UHFFFAOYSA-N 0 3 281.705 3.786 20 10 CHCDHN CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000850492286 1123274597 /nfs/dbraw/zinc/27/45/97/1123274597.db2.gz CRFGHLNVFOZGOG-DZGCQCFKSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1ccccc1[O-] ZINC000850518336 1123279140 /nfs/dbraw/zinc/27/91/40/1123279140.db2.gz OWUJENHAVNFCKJ-GDZNZVCISA-N 0 3 267.372 3.771 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(C)cc1[O-] ZINC000850535731 1123287109 /nfs/dbraw/zinc/28/71/09/1123287109.db2.gz AFBAEYWOHQXQPY-TZMCWYRMSA-N 0 3 269.335 3.787 20 10 CHCDHN C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cc(F)ccc1[O-] ZINC000850537676 1123288361 /nfs/dbraw/zinc/28/83/61/1123288361.db2.gz WYNBJRCTVCRKBD-ZANVPECISA-N 0 3 273.298 3.617 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(F)ccc1[O-] ZINC000850543410 1123288845 /nfs/dbraw/zinc/28/88/45/1123288845.db2.gz JDBCWIMBXZHERL-QLJPJBMISA-N 0 3 287.334 3.575 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccccc1[O-] ZINC000850543762 1123289031 /nfs/dbraw/zinc/28/90/31/1123289031.db2.gz PNLHBYGTCDTURU-SJORKVTESA-N 0 3 283.371 3.826 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCC3(CC3(F)F)CC1)CC2 ZINC000850549356 1123289317 /nfs/dbraw/zinc/28/93/17/1123289317.db2.gz GBSNDZOHNMCLPN-MFOWVQHXSA-N 0 3 293.357 3.937 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)c2c1c(F)ccc2[O-] ZINC000850552674 1123290004 /nfs/dbraw/zinc/29/00/04/1123290004.db2.gz PJDRAUJCGFZEMJ-UBHAPETDSA-N 0 3 299.336 3.961 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCCc2ccco2)c2c1c(F)ccc2[O-] ZINC000850570553 1123294527 /nfs/dbraw/zinc/29/45/27/1123294527.db2.gz WDXUNHXUMDJPEC-RISCZKNCSA-N 0 3 289.350 3.895 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1C)c1ccccc1[O-] ZINC000850578323 1123296278 /nfs/dbraw/zinc/29/62/78/1123296278.db2.gz KRRBSCUJQTVYHW-MRXNPFEDSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c([O-])c1 ZINC000895824427 1123518737 /nfs/dbraw/zinc/51/87/37/1123518737.db2.gz YVGRBCWSEPQAFE-KRWDZBQOSA-N 0 3 289.419 3.530 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1COc2ccccc2C1 ZINC000895851045 1123521448 /nfs/dbraw/zinc/52/14/48/1123521448.db2.gz IIJUPZQVTPKIFR-YCPHGPKFSA-N 0 3 297.398 3.683 20 10 CHCDHN CC(C)Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000895850991 1123521851 /nfs/dbraw/zinc/52/18/51/1123521851.db2.gz HVNCWPDMDQCNDC-AWEZNQCLSA-N 0 3 284.403 3.837 20 10 CHCDHN Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000281126582 1123683024 /nfs/dbraw/zinc/68/30/24/1123683024.db2.gz DPNDKZATHHMAKY-RDJZCZTQSA-N 0 3 296.414 3.912 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000862473087 1123813451 /nfs/dbraw/zinc/81/34/51/1123813451.db2.gz DQZBQPSJTHMLEX-KGLIPLIRSA-N 0 3 297.851 3.824 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1[O-] ZINC000862473087 1123813457 /nfs/dbraw/zinc/81/34/57/1123813457.db2.gz DQZBQPSJTHMLEX-KGLIPLIRSA-N 0 3 297.851 3.824 20 10 CHCDHN CC[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794790936 1123949113 /nfs/dbraw/zinc/94/91/13/1123949113.db2.gz GKORLCDGVHPGCS-GOSISDBHSA-N 0 3 298.430 3.878 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccccc1OC)c1ccc(C)cc1[O-] ZINC000794796939 1123949357 /nfs/dbraw/zinc/94/93/57/1123949357.db2.gz WBLFWSHTOQTVBK-QGZVFWFLSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1ccc(C)cc1[O-] ZINC000794798556 1123949872 /nfs/dbraw/zinc/94/98/72/1123949872.db2.gz WFRPMZBNQDXAGW-NVXWUHKLSA-N 0 3 292.467 3.718 20 10 CHCDHN CC[C@H]([NH2+]CCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794812564 1123958941 /nfs/dbraw/zinc/95/89/41/1123958941.db2.gz XFOIDRJLYNCUEZ-NSHDSACASA-N 0 3 261.287 3.694 20 10 CHCDHN CC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794817109 1123959819 /nfs/dbraw/zinc/95/98/19/1123959819.db2.gz MYHXOYXZTZMCPZ-RDJZCZTQSA-N 0 3 291.435 3.538 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(C)cc1[O-] ZINC000866401598 1124062672 /nfs/dbraw/zinc/06/26/72/1124062672.db2.gz BEDWOIYKYSKALX-ZFWWWQNUSA-N 0 3 279.449 3.885 20 10 CHCDHN C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866480624 1124070873 /nfs/dbraw/zinc/07/08/73/1124070873.db2.gz GNJYAKDBQHCUQL-PBHICJAKSA-N 0 3 289.419 3.782 20 10 CHCDHN CC[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866622787 1124091396 /nfs/dbraw/zinc/09/13/96/1124091396.db2.gz JBUFCHGMBOALLB-DOTOQJQBSA-N 0 3 289.419 3.925 20 10 CHCDHN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000866632682 1124091827 /nfs/dbraw/zinc/09/18/27/1124091827.db2.gz BDAJYNPXXVYDTC-NQBHXWOUSA-N 0 3 285.815 3.554 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC2(CCC2)C1 ZINC000121919074 1124105487 /nfs/dbraw/zinc/10/54/87/1124105487.db2.gz BPOZZMFWSQSFLZ-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC2(CCC2)C1 ZINC000121919074 1124105490 /nfs/dbraw/zinc/10/54/90/1124105490.db2.gz BPOZZMFWSQSFLZ-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccccc1C1CC1 ZINC000121992649 1124455500 /nfs/dbraw/zinc/45/55/00/1124455500.db2.gz HOAGGJNUXYSKFT-UHFFFAOYSA-N 0 3 253.345 3.559 20 10 CHCDHN CC[C@@H](N[C@H](C)c1nccnc1C)c1ccc(C)cc1O ZINC000872135107 1124693754 /nfs/dbraw/zinc/69/37/54/1124693754.db2.gz VFTHQEHJUVCDNG-UKRRQHHQSA-N 0 3 285.391 3.601 20 10 CHCDHN CSC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000872627911 1124723400 /nfs/dbraw/zinc/72/34/00/1124723400.db2.gz WTTRTTIJIGCABW-UHFFFAOYSA-N 0 3 287.428 3.873 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c([O-])c1 ZINC000876637038 1124965397 /nfs/dbraw/zinc/96/53/97/1124965397.db2.gz PANJZIYPPAOXKI-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c([O-])c1 ZINC000876637038 1124965402 /nfs/dbraw/zinc/96/54/02/1124965402.db2.gz PANJZIYPPAOXKI-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c([O-])c1 ZINC000876738801 1124973209 /nfs/dbraw/zinc/97/32/09/1124973209.db2.gz AZSAGSZCDPWEAS-QGZVFWFLSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c([O-])c1 ZINC000876738801 1124973220 /nfs/dbraw/zinc/97/32/20/1124973220.db2.gz AZSAGSZCDPWEAS-QGZVFWFLSA-N 0 3 282.387 3.741 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])c1ccc(OC)cc1 ZINC000876883701 1124986891 /nfs/dbraw/zinc/98/68/91/1124986891.db2.gz FVZWOGMJCOCMHJ-KRWDZBQOSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000876905834 1124988260 /nfs/dbraw/zinc/98/82/60/1124988260.db2.gz LKNOQFQEIHBLEG-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN CCOCc1ccccc1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876915230 1124990213 /nfs/dbraw/zinc/99/02/13/1124990213.db2.gz NVBSPOYOFGZBQV-UHFFFAOYSA-N 0 3 285.387 3.527 20 10 CHCDHN Cc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c(O)c1 ZINC000876946428 1124991152 /nfs/dbraw/zinc/99/11/52/1124991152.db2.gz QYMUWTZBQIPMTM-IUODEOHRSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1ccc(C[NH2+]C(C)(C)c2cccs2)c([O-])c1 ZINC000877036389 1125000116 /nfs/dbraw/zinc/00/01/16/1125000116.db2.gz PZMBNPOIMHKOPN-UHFFFAOYSA-N 0 3 261.390 3.787 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000877087648 1125008316 /nfs/dbraw/zinc/00/83/16/1125008316.db2.gz OIQJQSAEGBHYHD-MRXNPFEDSA-N 0 3 289.419 3.672 20 10 CHCDHN Cc1cccc(O)c1CN[C@H]1CCCc2cn(C(C)C)nc21 ZINC000877376440 1125024699 /nfs/dbraw/zinc/02/46/99/1125024699.db2.gz SMFBNEUSTHUTRD-INIZCTEOSA-N 0 3 299.418 3.645 20 10 CHCDHN Cc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c([O-])c1 ZINC000877479964 1125033225 /nfs/dbraw/zinc/03/32/25/1125033225.db2.gz ZENQYTDQJHDOJM-UHFFFAOYSA-N 0 3 291.435 3.774 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000877557518 1125043991 /nfs/dbraw/zinc/04/39/91/1125043991.db2.gz NFKGFTPGYVHLBW-ZDUSSCGKSA-N 0 3 285.412 3.680 20 10 CHCDHN CC[C@H](C[NH2+]Cc1ccc(C)cc1[O-])CC(F)(F)F ZINC000877589456 1125050160 /nfs/dbraw/zinc/05/01/60/1125050160.db2.gz NOULABBIQBCXBU-NSHDSACASA-N 0 3 275.314 3.769 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000877595196 1125051948 /nfs/dbraw/zinc/05/19/48/1125051948.db2.gz UVZHDGNDARDRDN-GFCCVEGCSA-N 0 3 287.325 3.865 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000877595196 1125051955 /nfs/dbraw/zinc/05/19/55/1125051955.db2.gz UVZHDGNDARDRDN-GFCCVEGCSA-N 0 3 287.325 3.865 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccccc1[O-] ZINC000877755915 1125072497 /nfs/dbraw/zinc/07/24/97/1125072497.db2.gz SLZJKSNACLCVPF-SNVBAGLBSA-N 0 3 278.302 3.576 20 10 CHCDHN CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758324 1125075212 /nfs/dbraw/zinc/07/52/12/1125075212.db2.gz SVSVRXSGVQCLMY-UVARLRKDSA-N 0 3 299.351 3.766 20 10 CHCDHN CSC(C)(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758392 1125075646 /nfs/dbraw/zinc/07/56/46/1125075646.db2.gz XVTGEGHQFRGJLF-NSHDSACASA-N 0 3 253.411 3.575 20 10 CHCDHN C[C@@H]([NH2+]CCCc1ccsc1)c1ccccc1[O-] ZINC000879649328 1125223320 /nfs/dbraw/zinc/22/33/20/1125223320.db2.gz NNYHSMIWRMPGJC-GFCCVEGCSA-N 0 3 261.390 3.737 20 10 CHCDHN CC[C@H](C[NH2+][C@H](C)c1ccccc1[O-])CC(F)F ZINC000879650181 1125224235 /nfs/dbraw/zinc/22/42/35/1125224235.db2.gz NJOOWTNSLUIKRK-MNOVXSKESA-N 0 3 257.324 3.724 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CC)CC2)c1[O-] ZINC000211463294 1125306485 /nfs/dbraw/zinc/30/64/85/1125306485.db2.gz UQIJAZZCNZPCSH-AWEZNQCLSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@H](CC)CC2)c1[O-] ZINC000211463294 1125306488 /nfs/dbraw/zinc/30/64/88/1125306488.db2.gz UQIJAZZCNZPCSH-AWEZNQCLSA-N 0 3 277.408 3.803 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cccc2cccnc21 ZINC001137178070 1125345576 /nfs/dbraw/zinc/34/55/76/1125345576.db2.gz QLUGQHPQKUKDDF-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cccc2cccnc21 ZINC001137178070 1125345578 /nfs/dbraw/zinc/34/55/78/1125345578.db2.gz QLUGQHPQKUKDDF-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN Cc1ccc(O)c(CN(C)Cc2ccc(F)c(F)c2)c1 ZINC000130468138 1125361469 /nfs/dbraw/zinc/36/14/69/1125361469.db2.gz NICPCXVEELGITH-UHFFFAOYSA-N 0 3 277.314 3.611 20 10 CHCDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)F ZINC000883259888 1125387159 /nfs/dbraw/zinc/38/71/59/1125387159.db2.gz CFIKRHHGPCJDJK-NSHDSACASA-N 0 3 269.335 3.651 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2scnc2C)cc1 ZINC000132366289 1125417463 /nfs/dbraw/zinc/41/74/63/1125417463.db2.gz VOGKRIYZDAIPOO-GFCCVEGCSA-N 0 3 289.448 3.758 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCC23CCOCC3)c([O-])c1 ZINC000282855487 1125446330 /nfs/dbraw/zinc/44/63/30/1125446330.db2.gz UJDROZVKIQLNKS-YOEHRIQHSA-N 0 3 289.419 3.701 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1COC)c1ccccc1[O-] ZINC000037762632 1129266309 /nfs/dbraw/zinc/26/63/09/1129266309.db2.gz ACCJYCABULBEAM-QGZVFWFLSA-N 0 3 285.387 3.780 20 10 CHCDHN COc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037778494 1129268954 /nfs/dbraw/zinc/26/89/54/1129268954.db2.gz GZXMEGGQOASMSX-ZIAGYGMSSA-N 0 3 285.387 3.683 20 10 CHCDHN C[C@H]1SCC[N@H+](Cc2c([O-])ccc3ccccc32)[C@@H]1C ZINC000735668128 1129356366 /nfs/dbraw/zinc/35/63/66/1129356366.db2.gz POLZXCWPNSQWGK-CHWSQXEVSA-N 0 3 287.428 3.871 20 10 CHCDHN C[C@H]1SCC[N@@H+](Cc2c([O-])ccc3ccccc32)[C@@H]1C ZINC000735668128 1129356369 /nfs/dbraw/zinc/35/63/69/1129356369.db2.gz POLZXCWPNSQWGK-CHWSQXEVSA-N 0 3 287.428 3.871 20 10 CHCDHN Cc1ccccc1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618519 1129448353 /nfs/dbraw/zinc/44/83/53/1129448353.db2.gz FNKCFQDSZSJKMA-CYBMUJFWSA-N 0 3 273.351 3.733 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccccc1F)c1cc(F)ccc1[O-] ZINC000094616650 1129448367 /nfs/dbraw/zinc/44/83/67/1129448367.db2.gz PRVXQHDIYYEHDM-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN Cc1cc(F)cc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001143619467 1129471817 /nfs/dbraw/zinc/47/18/17/1129471817.db2.gz QSTCDOTZWMEEST-UHFFFAOYSA-N 0 3 286.394 3.832 20 10 CHCDHN c1cc2cc(CNCc3ccc4c(c3)CCO4)ccc2o1 ZINC000796285424 1129514472 /nfs/dbraw/zinc/51/44/72/1129514472.db2.gz ZBAYZYAMCADZLD-UHFFFAOYSA-N 0 3 279.339 3.658 20 10 CHCDHN C[C@@H]1C[NH+](Cc2c([O-])ccc3ccccc32)C[C@@H](C)S1 ZINC000743376954 1129523040 /nfs/dbraw/zinc/52/30/40/1129523040.db2.gz WKDGFBZJVFWRFP-CHWSQXEVSA-N 0 3 287.428 3.871 20 10 CHCDHN CCN(CC)c1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000822521002 1131385133 /nfs/dbraw/zinc/38/51/33/1131385133.db2.gz VCTDJOPOCLHMBW-UHFFFAOYSA-N 0 3 282.378 3.620 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)CC1CCC1 ZINC000744398394 1129575243 /nfs/dbraw/zinc/57/52/43/1129575243.db2.gz QGKHOLHGZUHCCP-UHFFFAOYSA-N 0 3 271.360 3.788 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)CC1CCC1 ZINC000744398394 1129575246 /nfs/dbraw/zinc/57/52/46/1129575246.db2.gz QGKHOLHGZUHCCP-UHFFFAOYSA-N 0 3 271.360 3.788 20 10 CHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C)O1 ZINC000252442487 1129576678 /nfs/dbraw/zinc/57/66/78/1129576678.db2.gz ACNKTYNDCMHGMV-HIFRSBDPSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C)O1 ZINC000252442487 1129576682 /nfs/dbraw/zinc/57/66/82/1129576682.db2.gz ACNKTYNDCMHGMV-HIFRSBDPSA-N 0 3 285.387 3.545 20 10 CHCDHN COc1cc(Cl)ccc1CN(C)Cc1ccccc1O ZINC000796449984 1129728154 /nfs/dbraw/zinc/72/81/54/1129728154.db2.gz OBYBEOFZGHKCRF-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN C[C@H]1CSC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796481221 1129741863 /nfs/dbraw/zinc/74/18/63/1129741863.db2.gz CPDZBNWHUZWOHS-SUMWQHHRSA-N 0 3 299.439 3.900 20 10 CHCDHN CC/C=C\CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000767325850 1129786153 /nfs/dbraw/zinc/78/61/53/1129786153.db2.gz XYCLZMNLCPGVFO-LIMHQNJXSA-N 0 3 289.419 3.730 20 10 CHCDHN CC/C=C\CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000767325850 1129786155 /nfs/dbraw/zinc/78/61/55/1129786155.db2.gz XYCLZMNLCPGVFO-LIMHQNJXSA-N 0 3 289.419 3.730 20 10 CHCDHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000768159751 1129836610 /nfs/dbraw/zinc/83/66/10/1129836610.db2.gz IUSUCHATHNTTDG-UHFFFAOYSA-N 0 3 291.391 3.664 20 10 CHCDHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000768159751 1129836614 /nfs/dbraw/zinc/83/66/14/1129836614.db2.gz IUSUCHATHNTTDG-UHFFFAOYSA-N 0 3 291.391 3.664 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(F)cc2)c([O-])c1 ZINC000768176063 1129839221 /nfs/dbraw/zinc/83/92/21/1129839221.db2.gz YOKBAKYGUSYCIO-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)c([O-])c1 ZINC000768176063 1129839225 /nfs/dbraw/zinc/83/92/25/1129839225.db2.gz YOKBAKYGUSYCIO-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN COc1cccc(O)c1CN1CCc2sccc2[C@H]1C ZINC000768208045 1129840549 /nfs/dbraw/zinc/84/05/49/1129840549.db2.gz MDJHGTBKTXLPOG-LLVKDONJSA-N 0 3 289.400 3.582 20 10 CHCDHN CC[N@H+](Cc1ccc(C)cc1)Cc1c([O-])cccc1OC ZINC000768336536 1129852103 /nfs/dbraw/zinc/85/21/03/1129852103.db2.gz VLWICDDMRJYRRX-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccc(C)cc1)Cc1c([O-])cccc1OC ZINC000768336536 1129852104 /nfs/dbraw/zinc/85/21/04/1129852104.db2.gz VLWICDDMRJYRRX-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCc1cccc(CNCc2cc(F)ccc2F)c1O ZINC000691463384 1129862120 /nfs/dbraw/zinc/86/21/20/1129862120.db2.gz FVSBHTQDCRXKPG-UHFFFAOYSA-N 0 3 277.314 3.523 20 10 CHCDHN CCSCCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000800492702 1129879156 /nfs/dbraw/zinc/87/91/56/1129879156.db2.gz NAOPLFFQZQAVMN-CQSZACIVSA-N 0 3 267.438 3.885 20 10 CHCDHN Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000800537167 1129882196 /nfs/dbraw/zinc/88/21/96/1129882196.db2.gz ZTWLKLYBPQRLCJ-SFHVURJKSA-N 0 3 285.362 3.771 20 10 CHCDHN Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000800537167 1129882198 /nfs/dbraw/zinc/88/21/98/1129882198.db2.gz ZTWLKLYBPQRLCJ-SFHVURJKSA-N 0 3 285.362 3.771 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000769102523 1129889123 /nfs/dbraw/zinc/88/91/23/1129889123.db2.gz OLAOKXHOLFKVDL-BBRMVZONSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000769102523 1129889127 /nfs/dbraw/zinc/88/91/27/1129889127.db2.gz OLAOKXHOLFKVDL-BBRMVZONSA-N 0 3 275.392 3.555 20 10 CHCDHN CCC[N@H+](Cc1cccc2c1OCO2)Cc1ccccc1[O-] ZINC000769201508 1129896510 /nfs/dbraw/zinc/89/65/10/1129896510.db2.gz VUJNXABVQZIZFV-UHFFFAOYSA-N 0 3 299.370 3.533 20 10 CHCDHN CCC[N@@H+](Cc1cccc2c1OCO2)Cc1ccccc1[O-] ZINC000769201508 1129896512 /nfs/dbraw/zinc/89/65/12/1129896512.db2.gz VUJNXABVQZIZFV-UHFFFAOYSA-N 0 3 299.370 3.533 20 10 CHCDHN CC[C@H]1c2ccccc2CC[N@H+]1Cc1c([O-])cccc1OC ZINC000769428369 1129908281 /nfs/dbraw/zinc/90/82/81/1129908281.db2.gz QSAGFZQVFCETSV-KRWDZBQOSA-N 0 3 297.398 3.910 20 10 CHCDHN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769428369 1129908284 /nfs/dbraw/zinc/90/82/84/1129908284.db2.gz QSAGFZQVFCETSV-KRWDZBQOSA-N 0 3 297.398 3.910 20 10 CHCDHN CCCC[N@H+](CC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000801594598 1129930805 /nfs/dbraw/zinc/93/08/05/1129930805.db2.gz HIQOCWAIWIRZPG-INIZCTEOSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCC[N@@H+](CC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000801594598 1129930806 /nfs/dbraw/zinc/93/08/06/1129930806.db2.gz HIQOCWAIWIRZPG-INIZCTEOSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCC[N@H+](Cc1cnc(C)s1)Cc1ccccc1[O-] ZINC000801596491 1129930960 /nfs/dbraw/zinc/93/09/60/1129930960.db2.gz BLJHWOLZIXFHCB-UHFFFAOYSA-N 0 3 290.432 3.959 20 10 CHCDHN CCCC[N@@H+](Cc1cnc(C)s1)Cc1ccccc1[O-] ZINC000801596491 1129930963 /nfs/dbraw/zinc/93/09/63/1129930963.db2.gz BLJHWOLZIXFHCB-UHFFFAOYSA-N 0 3 290.432 3.959 20 10 CHCDHN CC(C)[N@H+](Cc1ccccc1[O-])Cc1ccccc1F ZINC000770508772 1129948344 /nfs/dbraw/zinc/94/83/44/1129948344.db2.gz HGMXFJPAQNQBBD-UHFFFAOYSA-N 0 3 273.351 3.942 20 10 CHCDHN CC(C)[N@@H+](Cc1ccccc1[O-])Cc1ccccc1F ZINC000770508772 1129948345 /nfs/dbraw/zinc/94/83/45/1129948345.db2.gz HGMXFJPAQNQBBD-UHFFFAOYSA-N 0 3 273.351 3.942 20 10 CHCDHN Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccccc2[O-])cc1 ZINC000770509532 1129948974 /nfs/dbraw/zinc/94/89/74/1129948974.db2.gz DAMNZOYDYJVQSX-KRWDZBQOSA-N 0 3 299.439 3.991 20 10 CHCDHN Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccccc2[O-])cc1 ZINC000770509532 1129948978 /nfs/dbraw/zinc/94/89/78/1129948978.db2.gz DAMNZOYDYJVQSX-KRWDZBQOSA-N 0 3 299.439 3.991 20 10 CHCDHN Cc1cc(O)c(CN2CCc3ccc(F)cc3C2)cc1C ZINC000771175566 1129973954 /nfs/dbraw/zinc/97/39/54/1129973954.db2.gz PXBDEOOPOUVIAM-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN CCCC[N@H+](Cc1cccn1C)Cc1ccccc1[O-] ZINC000802657966 1130027423 /nfs/dbraw/zinc/02/74/23/1130027423.db2.gz XMEWWPGSZYDJIT-UHFFFAOYSA-N 0 3 272.392 3.533 20 10 CHCDHN CCCC[N@@H+](Cc1cccn1C)Cc1ccccc1[O-] ZINC000802657966 1130027428 /nfs/dbraw/zinc/02/74/28/1130027428.db2.gz XMEWWPGSZYDJIT-UHFFFAOYSA-N 0 3 272.392 3.533 20 10 CHCDHN CNc1ccc(C)cc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000902642830 1130033190 /nfs/dbraw/zinc/03/31/90/1130033190.db2.gz JBIHQBKXYUDGRF-CYBMUJFWSA-N 0 3 270.376 3.593 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)c([O-])c1 ZINC000785548091 1130038849 /nfs/dbraw/zinc/03/88/49/1130038849.db2.gz JLYQSEAKMDBTAX-CQSZACIVSA-N 0 3 277.408 3.849 20 10 CHCDHN Cc1cccc(OCCC[NH2+]Cc2ccccc2[O-])c1C ZINC000785577868 1130043782 /nfs/dbraw/zinc/04/37/82/1130043782.db2.gz QXGQXFDZIVJZOB-UHFFFAOYSA-N 0 3 285.387 3.568 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccccc1[O-] ZINC000786431594 1130093183 /nfs/dbraw/zinc/09/31/83/1130093183.db2.gz ROZQWNAZRIALGN-CABCVRRESA-N 0 3 289.419 3.925 20 10 CHCDHN CC[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccccc1[O-] ZINC000903335472 1130160829 /nfs/dbraw/zinc/16/08/29/1130160829.db2.gz QEPGTBCKIVXGFG-MAUKXSAKSA-N 0 3 282.387 3.979 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccccc1[O-] ZINC000903337544 1130161198 /nfs/dbraw/zinc/16/11/98/1130161198.db2.gz DUOHKGNOIDCJOT-YVEFUNNKSA-N 0 3 268.360 3.589 20 10 CHCDHN Cc1nc2ccccn2c1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000903422537 1130174302 /nfs/dbraw/zinc/17/43/02/1130174302.db2.gz ONAAQBSSXSEWRV-CYBMUJFWSA-N 0 3 295.386 3.508 20 10 CHCDHN CC[N@H+](Cc1cnc2ccccc2c1)Cc1ccccc1[O-] ZINC001137282835 1130287722 /nfs/dbraw/zinc/28/77/22/1130287722.db2.gz NCNYHZUDDYGCEI-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1cnc2ccccc2c1)Cc1ccccc1[O-] ZINC001137282835 1130287727 /nfs/dbraw/zinc/28/77/27/1130287727.db2.gz NCNYHZUDDYGCEI-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN C[N@H+](CCSCc1ccccc1)Cc1ccccc1[O-] ZINC000790315200 1130305951 /nfs/dbraw/zinc/30/59/51/1130305951.db2.gz UDNMHCVEUXVTQJ-UHFFFAOYSA-N 0 3 287.428 3.757 20 10 CHCDHN C[N@@H+](CCSCc1ccccc1)Cc1ccccc1[O-] ZINC000790315200 1130305958 /nfs/dbraw/zinc/30/59/58/1130305958.db2.gz UDNMHCVEUXVTQJ-UHFFFAOYSA-N 0 3 287.428 3.757 20 10 CHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CC[C@H](C)C2)C1 ZINC001170152352 1130361230 /nfs/dbraw/zinc/36/12/30/1130361230.db2.gz KQJOUJKBZSGXHW-KBPBESRZSA-N 0 3 298.430 3.734 20 10 CHCDHN C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000793220977 1130530693 /nfs/dbraw/zinc/53/06/93/1130530693.db2.gz SQGHDGHBEMGUHD-GASCZTMLSA-N 0 3 297.398 3.954 20 10 CHCDHN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000793220977 1130530698 /nfs/dbraw/zinc/53/06/98/1130530698.db2.gz SQGHDGHBEMGUHD-GASCZTMLSA-N 0 3 297.398 3.954 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC4(CC4)C3)c2c1 ZINC001234525418 1130653785 /nfs/dbraw/zinc/65/37/85/1130653785.db2.gz GQGNURGTZLULFJ-UHFFFAOYSA-N 0 3 283.371 3.540 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC4(CC4)C3)c2c1 ZINC001234525418 1130653788 /nfs/dbraw/zinc/65/37/88/1130653788.db2.gz GQGNURGTZLULFJ-UHFFFAOYSA-N 0 3 283.371 3.540 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]4C[C@@H]43)c2c1 ZINC001234569100 1130656813 /nfs/dbraw/zinc/65/68/13/1130656813.db2.gz JLRATOMLBNDMDK-DYVFJYSZSA-N 0 3 283.371 3.538 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]4C[C@@H]43)c2c1 ZINC001234569100 1130656817 /nfs/dbraw/zinc/65/68/17/1130656817.db2.gz JLRATOMLBNDMDK-DYVFJYSZSA-N 0 3 283.371 3.538 20 10 CHCDHN CC[C@@H](C)[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658209 1130669822 /nfs/dbraw/zinc/66/98/22/1130669822.db2.gz XOQPXDNRAUHMBL-HZPDHXFCSA-N 0 3 290.451 3.642 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998999 1130700586 /nfs/dbraw/zinc/70/05/86/1130700586.db2.gz PTIPRBDOLXBUTA-CQSZACIVSA-N 0 3 267.372 3.901 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234998999 1130700592 /nfs/dbraw/zinc/70/05/92/1130700592.db2.gz PTIPRBDOLXBUTA-CQSZACIVSA-N 0 3 267.372 3.901 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)(CF)C2)c([O-])c1 ZINC001235676307 1130766359 /nfs/dbraw/zinc/76/63/59/1130766359.db2.gz PTEFUMAADBLEHK-QGZVFWFLSA-N 0 3 279.399 3.871 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(CF)C2)c([O-])c1 ZINC001235676307 1130766364 /nfs/dbraw/zinc/76/63/64/1130766364.db2.gz PTEFUMAADBLEHK-QGZVFWFLSA-N 0 3 279.399 3.871 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001235679308 1130768741 /nfs/dbraw/zinc/76/87/41/1130768741.db2.gz DYZWVLDTQMMMOE-DOMZBBRYSA-N 0 3 259.393 3.674 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001235679308 1130768745 /nfs/dbraw/zinc/76/87/45/1130768745.db2.gz DYZWVLDTQMMMOE-DOMZBBRYSA-N 0 3 259.393 3.674 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000783517086 1130832552 /nfs/dbraw/zinc/83/25/52/1130832552.db2.gz FYUIVBZKBQBJBD-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000783517081 1130832800 /nfs/dbraw/zinc/83/28/00/1130832800.db2.gz FYUIVBZKBQBJBD-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000783515993 1130832996 /nfs/dbraw/zinc/83/29/96/1130832996.db2.gz AHIPACQAKYBJRD-ZYKCCNLVSA-N 0 3 297.398 3.996 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1ccccc1[O-] ZINC000783513734 1130833212 /nfs/dbraw/zinc/83/32/12/1130833212.db2.gz MNPIGHDDIWBXAY-BXUZGUMPSA-N 0 3 271.385 3.890 20 10 CHCDHN CC[C@H]1CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000814178764 1130834959 /nfs/dbraw/zinc/83/49/59/1130834959.db2.gz CKGWFPKXNVKITP-KRWDZBQOSA-N 0 3 297.398 3.956 20 10 CHCDHN CC[C@H]1CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000814178764 1130834963 /nfs/dbraw/zinc/83/49/63/1130834963.db2.gz CKGWFPKXNVKITP-KRWDZBQOSA-N 0 3 297.398 3.956 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000814170856 1130837682 /nfs/dbraw/zinc/83/76/82/1130837682.db2.gz FLZIGDCTOVFDCM-KRWDZBQOSA-N 0 3 289.419 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000814170856 1130837689 /nfs/dbraw/zinc/83/76/89/1130837689.db2.gz FLZIGDCTOVFDCM-KRWDZBQOSA-N 0 3 289.419 3.801 20 10 CHCDHN CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1[O-] ZINC000783741547 1130853060 /nfs/dbraw/zinc/85/30/60/1130853060.db2.gz RFQJYXFMWOAXQL-LLVKDONJSA-N 0 3 279.277 3.598 20 10 CHCDHN COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccccc1[O-] ZINC000814292092 1130859375 /nfs/dbraw/zinc/85/93/75/1130859375.db2.gz MXAVSBJRPMVKSH-RVDMUPIBSA-N 0 3 297.398 3.732 20 10 CHCDHN COCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815552801 1130998650 /nfs/dbraw/zinc/99/86/50/1130998650.db2.gz KMLPKRIAHDVCLI-SFHVURJKSA-N 0 3 299.414 3.692 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@H]2O)c([O-])c1 ZINC000815585903 1131003830 /nfs/dbraw/zinc/00/38/30/1131003830.db2.gz VEWCKJQDXQSDRF-YXJHDRRASA-N 0 3 291.435 3.601 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)c([O-])c1 ZINC000815585904 1131003939 /nfs/dbraw/zinc/00/39/39/1131003939.db2.gz VEWCKJQDXQSDRF-ZVZYQTTQSA-N 0 3 291.435 3.601 20 10 CHCDHN CO[C@H](C)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815619638 1131009928 /nfs/dbraw/zinc/00/99/28/1131009928.db2.gz TXXYXUAQACIEGS-CRAIPNDOSA-N 0 3 299.414 3.691 20 10 CHCDHN Cc1ccoc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000815628980 1131012029 /nfs/dbraw/zinc/01/20/29/1131012029.db2.gz PKURZSQKVPVCFA-ZDUSSCGKSA-N 0 3 259.349 3.761 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC2(CC2)C1 ZINC001236826499 1131016827 /nfs/dbraw/zinc/01/68/27/1131016827.db2.gz LIWASPYKBFDGPU-UHFFFAOYSA-N 0 3 253.345 3.531 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC2(CC2)C1 ZINC001236826499 1131016830 /nfs/dbraw/zinc/01/68/30/1131016830.db2.gz LIWASPYKBFDGPU-UHFFFAOYSA-N 0 3 253.345 3.531 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c([O-])c1 ZINC000815648134 1131017047 /nfs/dbraw/zinc/01/70/47/1131017047.db2.gz FKTGCNKSYMXWRN-HOCLYGCPSA-N 0 3 291.435 3.540 20 10 CHCDHN C[N@H+](Cc1cccc(O)c1)Cc1cc2ccccc2cc1[O-] ZINC001236827397 1131017556 /nfs/dbraw/zinc/01/75/56/1131017556.db2.gz RJTIWEDAXGMUBH-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@@H+](Cc1cccc(O)c1)Cc1cc2ccccc2cc1[O-] ZINC001236827397 1131017561 /nfs/dbraw/zinc/01/75/61/1131017561.db2.gz RJTIWEDAXGMUBH-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@H+](CCc1ccncc1)Cc1cc2ccccc2cc1[O-] ZINC001236841459 1131021236 /nfs/dbraw/zinc/02/12/36/1131021236.db2.gz KTMFKUWMJINEPX-UHFFFAOYSA-N 0 3 292.382 3.615 20 10 CHCDHN C[N@@H+](CCc1ccncc1)Cc1cc2ccccc2cc1[O-] ZINC001236841459 1131021240 /nfs/dbraw/zinc/02/12/40/1131021240.db2.gz KTMFKUWMJINEPX-UHFFFAOYSA-N 0 3 292.382 3.615 20 10 CHCDHN COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237046697 1131039357 /nfs/dbraw/zinc/03/93/57/1131039357.db2.gz VQHKCCCKJWNRGR-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN COC[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237046697 1131039362 /nfs/dbraw/zinc/03/93/62/1131039362.db2.gz VQHKCCCKJWNRGR-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN CCOc1ccc(C[NH+]2CCC3(CCCC3)CC2)c([O-])c1 ZINC001237049019 1131039376 /nfs/dbraw/zinc/03/93/76/1131039376.db2.gz CGUFFYARFDVEOR-UHFFFAOYSA-N 0 3 289.419 3.947 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001237046573 1131041539 /nfs/dbraw/zinc/04/15/39/1131041539.db2.gz UCWYONIQVHLOJI-FUHWJXTLSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001237046573 1131041544 /nfs/dbraw/zinc/04/15/44/1131041544.db2.gz UCWYONIQVHLOJI-FUHWJXTLSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@H](C)CC23CC3)c([O-])c1 ZINC001237054627 1131042894 /nfs/dbraw/zinc/04/28/94/1131042894.db2.gz DKCKECPGOFXPHK-CYBMUJFWSA-N 0 3 259.393 3.890 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@H](C)CC23CC3)c([O-])c1 ZINC001237054627 1131042887 /nfs/dbraw/zinc/04/28/87/1131042887.db2.gz DKCKECPGOFXPHK-CYBMUJFWSA-N 0 3 259.393 3.890 20 10 CHCDHN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(C)C)cc1[O-] ZINC001237054535 1131043474 /nfs/dbraw/zinc/04/34/74/1131043474.db2.gz CAHIDDRKIWTJFQ-SJPCQFCGSA-N 0 3 289.419 3.657 20 10 CHCDHN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)C)cc1[O-] ZINC001237054535 1131043480 /nfs/dbraw/zinc/04/34/80/1131043480.db2.gz CAHIDDRKIWTJFQ-SJPCQFCGSA-N 0 3 289.419 3.657 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c([O-])c1 ZINC001237053534 1131044257 /nfs/dbraw/zinc/04/42/57/1131044257.db2.gz MIIMBCDIRVZAHA-KRWDZBQOSA-N 0 3 296.414 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c([O-])c1 ZINC001237053534 1131044262 /nfs/dbraw/zinc/04/42/62/1131044262.db2.gz MIIMBCDIRVZAHA-KRWDZBQOSA-N 0 3 296.414 3.900 20 10 CHCDHN CC1CC([N@H+](C)Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237137890 1131056339 /nfs/dbraw/zinc/05/63/39/1131056339.db2.gz QNLVWIJTTKFWPB-UHFFFAOYSA-N 0 3 273.298 3.641 20 10 CHCDHN CC1CC([N@@H+](C)Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237137890 1131056343 /nfs/dbraw/zinc/05/63/43/1131056343.db2.gz QNLVWIJTTKFWPB-UHFFFAOYSA-N 0 3 273.298 3.641 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001237141018 1131057643 /nfs/dbraw/zinc/05/76/43/1131057643.db2.gz RUVASTWBUACSGU-JTQLQIEISA-N 0 3 291.288 3.593 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001237141018 1131057648 /nfs/dbraw/zinc/05/76/48/1131057648.db2.gz RUVASTWBUACSGU-JTQLQIEISA-N 0 3 291.288 3.593 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCc2cccnc21 ZINC000798928665 1131062123 /nfs/dbraw/zinc/06/21/23/1131062123.db2.gz CHTOUXGQOSKQCR-SFHVURJKSA-N 0 3 295.430 3.623 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c([O-])c1 ZINC000798938538 1131063130 /nfs/dbraw/zinc/06/31/30/1131063130.db2.gz YQEKCCGPTWOUDK-GDBMZVCRSA-N 0 3 291.435 3.540 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001237486659 1131104458 /nfs/dbraw/zinc/10/44/58/1131104458.db2.gz AHGXKKYYXRLMFO-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001237486659 1131104463 /nfs/dbraw/zinc/10/44/63/1131104463.db2.gz AHGXKKYYXRLMFO-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN COc1ccc(C[NH2+]Cc2cc(C)cc(Cl)c2)c([O-])c1 ZINC000816597254 1131113721 /nfs/dbraw/zinc/11/37/21/1131113721.db2.gz KYRWVNKBFOMYCN-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000816619357 1131116519 /nfs/dbraw/zinc/11/65/19/1131116519.db2.gz CDDGMSZZGDWBBH-MRXNPFEDSA-N 0 3 267.372 3.772 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000816619357 1131116521 /nfs/dbraw/zinc/11/65/21/1131116521.db2.gz CDDGMSZZGDWBBH-MRXNPFEDSA-N 0 3 267.372 3.772 20 10 CHCDHN CCOC1(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCCC1 ZINC000816642808 1131117525 /nfs/dbraw/zinc/11/75/25/1131117525.db2.gz LVJPRCVMIKBTOI-UHFFFAOYSA-N 0 3 297.826 3.793 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C ZINC000816649340 1131120703 /nfs/dbraw/zinc/12/07/03/1131120703.db2.gz XQGNQJYCKWRUOH-KGLIPLIRSA-N 0 3 267.372 3.899 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C ZINC000816649340 1131120705 /nfs/dbraw/zinc/12/07/05/1131120705.db2.gz XQGNQJYCKWRUOH-KGLIPLIRSA-N 0 3 267.372 3.899 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H](C)C2)c1[O-] ZINC001237682051 1131126481 /nfs/dbraw/zinc/12/64/81/1131126481.db2.gz VTBCNJJYVWIKHY-LLVKDONJSA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H](C)C2)c1[O-] ZINC001237682051 1131126484 /nfs/dbraw/zinc/12/64/84/1131126484.db2.gz VTBCNJJYVWIKHY-LLVKDONJSA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+](C(C)C)C(C)C)c1[O-] ZINC001237680566 1131127108 /nfs/dbraw/zinc/12/71/08/1131127108.db2.gz DNHFCTWRUJVWGR-UHFFFAOYSA-N 0 3 255.789 3.973 20 10 CHCDHN CC[C@H]1CCC[N@@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237678564 1131127175 /nfs/dbraw/zinc/12/71/75/1131127175.db2.gz JITCQOHYKIVBJE-LBPRGKRZSA-N 0 3 298.224 3.838 20 10 CHCDHN CC[C@H]1CCC[N@H+]1Cc1cc(Br)c(C)cc1[O-] ZINC001237678564 1131127178 /nfs/dbraw/zinc/12/71/78/1131127178.db2.gz JITCQOHYKIVBJE-LBPRGKRZSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1ccc(CN(C)Cc2cc(Cl)cc(C)c2O)cn1 ZINC001237688915 1131128154 /nfs/dbraw/zinc/12/81/54/1131128154.db2.gz KKVLYYCOFVZTSS-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN CCN(Cc1ccccc1F)Cc1cc(C)ccc1O ZINC001116439446 1131145898 /nfs/dbraw/zinc/14/58/98/1131145898.db2.gz AJNVKRFSWDLUKT-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN Cc1ccc2c(c1)CN(Cc1cc(F)cc(C)c1O)CC2 ZINC001238057776 1131164712 /nfs/dbraw/zinc/16/47/12/1131164712.db2.gz MUIYHZFJSCEOTF-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Oc1cccc2c1[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)CC2 ZINC000818356847 1131211622 /nfs/dbraw/zinc/21/16/22/1131211622.db2.gz RMNOQENYWYGTRX-QGPMSJSTSA-N 0 3 283.346 3.606 20 10 CHCDHN C[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)c1ccccc1O ZINC000818357240 1131211730 /nfs/dbraw/zinc/21/17/30/1131211730.db2.gz XEBLUOHDLWSGJN-AFAVFJNCSA-N 0 3 271.335 3.680 20 10 CHCDHN CCC[N@H+](Cc1cc2cccnc2o1)Cc1ccccc1[O-] ZINC000823424031 1131428154 /nfs/dbraw/zinc/42/81/54/1131428154.db2.gz RIWUNTTXKOUOLO-UHFFFAOYSA-N 0 3 296.370 3.946 20 10 CHCDHN CCC[N@@H+](Cc1cc2cccnc2o1)Cc1ccccc1[O-] ZINC000823424031 1131428157 /nfs/dbraw/zinc/42/81/57/1131428157.db2.gz RIWUNTTXKOUOLO-UHFFFAOYSA-N 0 3 296.370 3.946 20 10 CHCDHN CCCC[N@@H+](Cc1ccncc1C)Cc1ccccc1[O-] ZINC000824344295 1131465053 /nfs/dbraw/zinc/46/50/53/1131465053.db2.gz IUJOGQHLPIXLDS-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@H+](Cc1ccncc1C)Cc1ccccc1[O-] ZINC000824344295 1131465052 /nfs/dbraw/zinc/46/50/52/1131465052.db2.gz IUJOGQHLPIXLDS-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN C[C@@]1(F)CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824472580 1131470536 /nfs/dbraw/zinc/47/05/36/1131470536.db2.gz VLPIONJSEGHCPV-QGZVFWFLSA-N 0 3 273.351 3.869 20 10 CHCDHN C[C@@]1(F)CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824472580 1131470537 /nfs/dbraw/zinc/47/05/37/1131470537.db2.gz VLPIONJSEGHCPV-QGZVFWFLSA-N 0 3 273.351 3.869 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](Cc1ccccc1)OC)c1ccccc1[O-] ZINC000824590757 1131476622 /nfs/dbraw/zinc/47/66/22/1131476622.db2.gz PJDMMTMOMWCRHD-FUHWJXTLSA-N 0 3 299.414 3.691 20 10 CHCDHN CCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])COC1 ZINC000825072612 1131498281 /nfs/dbraw/zinc/49/82/81/1131498281.db2.gz JYGBLOPXZJIHOL-UHFFFAOYSA-N 0 3 297.398 3.575 20 10 CHCDHN CC[N@H+](Cc1ccc(N(C)C)s1)Cc1ccccc1[O-] ZINC001138492456 1131512310 /nfs/dbraw/zinc/51/23/10/1131512310.db2.gz CWTIJMIAYRWDLQ-UHFFFAOYSA-N 0 3 290.432 3.542 20 10 CHCDHN CC[N@@H+](Cc1ccc(N(C)C)s1)Cc1ccccc1[O-] ZINC001138492456 1131512313 /nfs/dbraw/zinc/51/23/13/1131512313.db2.gz CWTIJMIAYRWDLQ-UHFFFAOYSA-N 0 3 290.432 3.542 20 10 CHCDHN COc1ccc2c(C[N@H+](C)Cc3ccccc3[O-])c[nH]c2c1 ZINC001138590581 1131524322 /nfs/dbraw/zinc/52/43/22/1131524322.db2.gz SYKJLRXEOOXVFP-UHFFFAOYSA-N 0 3 296.370 3.514 20 10 CHCDHN COc1ccc2c(C[N@@H+](C)Cc3ccccc3[O-])c[nH]c2c1 ZINC001138590581 1131524323 /nfs/dbraw/zinc/52/43/23/1131524323.db2.gz SYKJLRXEOOXVFP-UHFFFAOYSA-N 0 3 296.370 3.514 20 10 CHCDHN CCn1ccc2c1cccc2C[N@H+](C)Cc1ccccc1[O-] ZINC001139158120 1131588323 /nfs/dbraw/zinc/58/83/23/1131588323.db2.gz CVXMHEOXWRUUFP-UHFFFAOYSA-N 0 3 294.398 3.999 20 10 CHCDHN CCn1ccc2c1cccc2C[N@@H+](C)Cc1ccccc1[O-] ZINC001139158120 1131588325 /nfs/dbraw/zinc/58/83/25/1131588325.db2.gz CVXMHEOXWRUUFP-UHFFFAOYSA-N 0 3 294.398 3.999 20 10 CHCDHN CC[N@H+](Cc1ccc(N(C)C)c(C)c1)Cc1ccccc1[O-] ZINC001139673208 1131628174 /nfs/dbraw/zinc/62/81/74/1131628174.db2.gz CPBJYMKZCANBNL-UHFFFAOYSA-N 0 3 298.430 3.789 20 10 CHCDHN CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)Cc1ccccc1[O-] ZINC001139673208 1131628175 /nfs/dbraw/zinc/62/81/75/1131628175.db2.gz CPBJYMKZCANBNL-UHFFFAOYSA-N 0 3 298.430 3.789 20 10 CHCDHN CCCCC[NH+](CCCCC)Cc1c([O-])cc(O)cc1O ZINC001144514691 1131651215 /nfs/dbraw/zinc/65/12/15/1131651215.db2.gz OVXBRSIJWWQDBO-UHFFFAOYSA-N 0 3 295.423 3.986 20 10 CHCDHN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC001140058568 1131659722 /nfs/dbraw/zinc/65/97/22/1131659722.db2.gz HISSIRULGLYZGB-INIZCTEOSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])cn1 ZINC001140058568 1131659728 /nfs/dbraw/zinc/65/97/28/1131659728.db2.gz HISSIRULGLYZGB-INIZCTEOSA-N 0 3 286.350 3.572 20 10 CHCDHN COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC001140058454 1131659904 /nfs/dbraw/zinc/65/99/04/1131659904.db2.gz AGFSNIGZOLFVMB-GFCCVEGCSA-N 0 3 289.350 3.733 20 10 CHCDHN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC001140058454 1131659907 /nfs/dbraw/zinc/65/99/07/1131659907.db2.gz AGFSNIGZOLFVMB-GFCCVEGCSA-N 0 3 289.350 3.733 20 10 CHCDHN COc1ccccc1[C@@H](C)N(C)Cc1cc(F)ccc1O ZINC001140058454 1131659909 /nfs/dbraw/zinc/65/99/09/1131659909.db2.gz AGFSNIGZOLFVMB-GFCCVEGCSA-N 0 3 289.350 3.733 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001140058745 1131660114 /nfs/dbraw/zinc/66/01/14/1131660114.db2.gz KLVWQDCDPTZWIZ-UHFFFAOYSA-N 0 3 283.346 3.821 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001140058745 1131660115 /nfs/dbraw/zinc/66/01/15/1131660115.db2.gz KLVWQDCDPTZWIZ-UHFFFAOYSA-N 0 3 283.346 3.821 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])C(C)(C)Cc1ccccc1 ZINC001140060432 1131660315 /nfs/dbraw/zinc/66/03/15/1131660315.db2.gz VSHPCNVCQUCGRC-UHFFFAOYSA-N 0 3 287.378 3.984 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C(C)(C)Cc1ccccc1 ZINC001140060432 1131660317 /nfs/dbraw/zinc/66/03/17/1131660317.db2.gz VSHPCNVCQUCGRC-UHFFFAOYSA-N 0 3 287.378 3.984 20 10 CHCDHN C[C@H](NCc1cc2cnccc2o1)c1ccc(N(C)C)cc1 ZINC000845956126 1131671225 /nfs/dbraw/zinc/67/12/25/1131671225.db2.gz JIBHVAUIIYQLAX-ZDUSSCGKSA-N 0 3 295.386 3.745 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1[O-] ZINC000845991527 1131675435 /nfs/dbraw/zinc/67/54/35/1131675435.db2.gz BIMSGRNKMYNCRN-OAHLLOKOSA-N 0 3 295.386 3.520 20 10 CHCDHN CC[C@@H](OCC[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000846017246 1131678489 /nfs/dbraw/zinc/67/84/89/1131678489.db2.gz BQHGKHXKSVCBHW-GOSISDBHSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1ccc(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834526794 1131682140 /nfs/dbraw/zinc/68/21/40/1131682140.db2.gz PEWSVRVWTWLPTJ-QGZVFWFLSA-N 0 3 297.398 3.611 20 10 CHCDHN Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834552191 1131682766 /nfs/dbraw/zinc/68/27/66/1131682766.db2.gz XIFVTQRTDMLPFL-HZPDHXFCSA-N 0 3 295.382 3.801 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000846187845 1131697726 /nfs/dbraw/zinc/69/77/26/1131697726.db2.gz LPSNANGIFPGXFU-KHYOSLBOSA-N 0 3 299.414 3.647 20 10 CHCDHN COC1CCC(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834766647 1131703905 /nfs/dbraw/zinc/70/39/05/1131703905.db2.gz WDRPVAJTBWRCGG-AVVWSFFYSA-N 0 3 289.419 3.564 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC000834793991 1131706564 /nfs/dbraw/zinc/70/65/64/1131706564.db2.gz LOGGGDUKXSVCHI-JKSUJKDBSA-N 0 3 299.801 3.790 20 10 CHCDHN C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000834794117 1131706690 /nfs/dbraw/zinc/70/66/90/1131706690.db2.gz ORLFOERHPUEFIF-FQLMCAECSA-N 0 3 289.419 3.563 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCC2CCOCC2)c([O-])c1 ZINC000834817902 1131707712 /nfs/dbraw/zinc/70/77/12/1131707712.db2.gz FJHXFMPYKYNMBR-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CSc3ccccc31)CC2 ZINC000834819098 1131707755 /nfs/dbraw/zinc/70/77/55/1131707755.db2.gz SFDLLRXFJCKYJS-UKRRQHHQSA-N 0 3 297.423 3.859 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000834882391 1131716840 /nfs/dbraw/zinc/71/68/40/1131716840.db2.gz JVXMDQORWLRIAK-CABCVRRESA-N 0 3 289.419 3.701 20 10 CHCDHN CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1ccc(C)cc1[O-] ZINC000834883176 1131717504 /nfs/dbraw/zinc/71/75/04/1131717504.db2.gz ZQWUEEBDEVZVNO-GOEBONIOSA-N 0 3 265.397 3.556 20 10 CHCDHN CCCc1ncc(CN[C@H](CC)c2ccc(C)cc2O)o1 ZINC000834900956 1131725227 /nfs/dbraw/zinc/72/52/27/1131725227.db2.gz USDWPEUOJBZHNM-OAHLLOKOSA-N 0 3 288.391 3.882 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1ccc(C)cc1[O-] ZINC000834901923 1131726761 /nfs/dbraw/zinc/72/67/61/1131726761.db2.gz BSFOUGOWXTXEIJ-PVUWLOKVSA-N 0 3 277.408 3.555 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)c1[O-] ZINC000834906618 1131728709 /nfs/dbraw/zinc/72/87/09/1131728709.db2.gz YOVRQTABWLWIMD-CHWSQXEVSA-N 0 3 297.826 3.821 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000834909107 1131730577 /nfs/dbraw/zinc/73/05/77/1131730577.db2.gz JBPSHAPAQXDNIO-UONOGXRCSA-N 0 3 277.408 3.556 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c1[O-] ZINC000834913936 1131733993 /nfs/dbraw/zinc/73/39/93/1131733993.db2.gz JNIAMEKCYDCKGT-GVXVVHGQSA-N 0 3 283.799 3.572 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1nc(Cl)ccc1C ZINC001140447395 1131741602 /nfs/dbraw/zinc/74/16/02/1131741602.db2.gz VYMBBWPMNDTREH-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC[C@H]([NH2+]CCc1noc2ccccc12)c1ccccc1[O-] ZINC000846844814 1131750544 /nfs/dbraw/zinc/75/05/44/1131750544.db2.gz PWBVIMIMUGLICL-HNNXBMFYSA-N 0 3 296.370 3.817 20 10 CHCDHN CN(C)c1ccc(CN2CC[C@](C)(CF)C2)c(Cl)c1 ZINC001140922550 1131962847 /nfs/dbraw/zinc/96/28/47/1131962847.db2.gz UJIAKWBYNDTIRJ-OAHLLOKOSA-N 0 3 284.806 3.588 20 10 CHCDHN CN(C)c1ccc(CN(CC2CC2)C2CC2)c(Cl)c1 ZINC001140926381 1131966319 /nfs/dbraw/zinc/96/63/19/1131966319.db2.gz LGTKOLJVNQVQDJ-UHFFFAOYSA-N 0 3 278.827 3.780 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001140948028 1131968759 /nfs/dbraw/zinc/96/87/59/1131968759.db2.gz QCZHARJZXDNLDX-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1ccc(C[N@H+]2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001140948028 1131968765 /nfs/dbraw/zinc/96/87/65/1131968765.db2.gz QCZHARJZXDNLDX-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001140947987 1131969171 /nfs/dbraw/zinc/96/91/71/1131969171.db2.gz OKFVHVPMWVQRPC-MRXNPFEDSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001140947987 1131969177 /nfs/dbraw/zinc/96/91/77/1131969177.db2.gz OKFVHVPMWVQRPC-MRXNPFEDSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1ccc(C[NH+]2CCC3(CCCC3)CC2)c([O-])c1 ZINC001140947768 1131970565 /nfs/dbraw/zinc/97/05/65/1131970565.db2.gz FEAIJDYDPYKRKV-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC001140953725 1131971152 /nfs/dbraw/zinc/97/11/52/1131971152.db2.gz FBOGECZVCHJFDP-UHFFFAOYSA-N 0 3 269.388 3.949 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2ccc(C)c(C)c2)c([O-])c1 ZINC001140953725 1131971157 /nfs/dbraw/zinc/97/11/57/1131971157.db2.gz FBOGECZVCHJFDP-UHFFFAOYSA-N 0 3 269.388 3.949 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2c(F)cccc2C1)c1ccccc1[O-] ZINC001171404105 1131971212 /nfs/dbraw/zinc/97/12/12/1131971212.db2.gz FPHQRZAMGKXTJS-JSGCOSHPSA-N 0 3 285.362 3.739 20 10 CHCDHN Cc1ccc(C[N@H+](C)CCc2ccccc2F)c([O-])c1 ZINC001140954498 1131972430 /nfs/dbraw/zinc/97/24/30/1131972430.db2.gz USHJXZDSRJOREI-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1ccc(C[N@@H+](C)CCc2ccccc2F)c([O-])c1 ZINC001140954498 1131972433 /nfs/dbraw/zinc/97/24/33/1131972433.db2.gz USHJXZDSRJOREI-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2cccc(F)c2)c([O-])c1 ZINC000036778587 1131975309 /nfs/dbraw/zinc/97/53/09/1131975309.db2.gz SUYBTLPGMRMGRV-ZDUSSCGKSA-N 0 3 273.351 3.733 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc2c(c1)OCO2 ZINC000036982038 1131985488 /nfs/dbraw/zinc/98/54/88/1131985488.db2.gz MZXIFUIRUKYDSY-VXGBXAGGSA-N 0 3 285.343 3.533 20 10 CHCDHN C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1ccccc1[O-] ZINC000716210938 1132021752 /nfs/dbraw/zinc/02/17/52/1132021752.db2.gz CQXWORACCANJTI-ODIFPOPNSA-N 0 3 297.398 3.791 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CSc2ccccc2C1)c1ccccc1[O-] ZINC001172188750 1132136929 /nfs/dbraw/zinc/13/69/29/1132136929.db2.gz WDEDXLPGOVMSFL-TZMCWYRMSA-N 0 3 285.412 3.760 20 10 CHCDHN CCC[N@H+](Cc1ccc2c(n1)CCC2)Cc1ccccc1[O-] ZINC000838810732 1132148962 /nfs/dbraw/zinc/14/89/62/1132148962.db2.gz YPNCGLWFHVHXQA-UHFFFAOYSA-N 0 3 296.414 3.688 20 10 CHCDHN CCC[N@@H+](Cc1ccc2c(n1)CCC2)Cc1ccccc1[O-] ZINC000838810732 1132148965 /nfs/dbraw/zinc/14/89/65/1132148965.db2.gz YPNCGLWFHVHXQA-UHFFFAOYSA-N 0 3 296.414 3.688 20 10 CHCDHN C[C@H](c1ccccc1)[N@H+](CCCCO)Cc1ccccc1[O-] ZINC000839532689 1132220997 /nfs/dbraw/zinc/22/09/97/1132220997.db2.gz ZKHFMUSLTKJDRE-MRXNPFEDSA-N 0 3 299.414 3.728 20 10 CHCDHN C[C@H](c1ccccc1)[N@@H+](CCCCO)Cc1ccccc1[O-] ZINC000839532689 1132221001 /nfs/dbraw/zinc/22/10/01/1132221001.db2.gz ZKHFMUSLTKJDRE-MRXNPFEDSA-N 0 3 299.414 3.728 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)CCOCC(C)C ZINC001172485279 1132230599 /nfs/dbraw/zinc/23/05/99/1132230599.db2.gz VRAQFZFIQGKPSE-OAHLLOKOSA-N 0 3 279.424 3.665 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)CCOCC(C)C ZINC001172485279 1132230607 /nfs/dbraw/zinc/23/06/07/1132230607.db2.gz VRAQFZFIQGKPSE-OAHLLOKOSA-N 0 3 279.424 3.665 20 10 CHCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172541157 1132277693 /nfs/dbraw/zinc/27/76/93/1132277693.db2.gz UJMGORGLAIDEMT-WBVHZDCISA-N 0 3 297.398 3.914 20 10 CHCDHN [O-]c1c(O)cccc1C[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724254 1132297272 /nfs/dbraw/zinc/29/72/72/1132297272.db2.gz PAPBBNPFVJPPIF-UHFFFAOYSA-N 0 3 275.392 3.690 20 10 CHCDHN Cc1cccc(CN2CCc3cccc(Cl)c3C2)c1O ZINC001231594159 1132321789 /nfs/dbraw/zinc/32/17/89/1132321789.db2.gz UNRNMWDUVCPSKP-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN Cc1cc(C)c(CN2CCc3ccc(F)cc3C2)c(O)c1 ZINC001231847298 1132378609 /nfs/dbraw/zinc/37/86/09/1132378609.db2.gz WFCBOHTZVLYXKP-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN CCCOC1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC001173100497 1132390915 /nfs/dbraw/zinc/39/09/15/1132390915.db2.gz GQWYARGAKJEVLC-UHFFFAOYSA-N 0 3 277.408 3.562 20 10 CHCDHN CCCOC1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001173100497 1132390921 /nfs/dbraw/zinc/39/09/21/1132390921.db2.gz GQWYARGAKJEVLC-UHFFFAOYSA-N 0 3 277.408 3.562 20 10 CHCDHN CC[C@H]([NH2+][C@H]1COCc2ccccc21)c1ccccc1[O-] ZINC000841758368 1132393470 /nfs/dbraw/zinc/39/34/70/1132393470.db2.gz AOTZWCWURABLGJ-IRXDYDNUSA-N 0 3 283.371 3.704 20 10 CHCDHN CCC[N@@H+](Cc1cc(Cl)c([O-])cc1O)CC(C)C ZINC001232263870 1132444379 /nfs/dbraw/zinc/44/43/79/1132444379.db2.gz WWNNVVWCMKUYNN-UHFFFAOYSA-N 0 3 271.788 3.619 20 10 CHCDHN CCC[N@H+](Cc1cc(Cl)c([O-])cc1O)CC(C)C ZINC001232263870 1132444383 /nfs/dbraw/zinc/44/43/83/1132444383.db2.gz WWNNVVWCMKUYNN-UHFFFAOYSA-N 0 3 271.788 3.619 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000842929586 1132478189 /nfs/dbraw/zinc/47/81/89/1132478189.db2.gz PFLDLTFKZIZWEK-ZQDZILKHSA-N 0 3 259.393 3.848 20 10 CHCDHN CCOc1cccc(C[N@H+](C)CCc2cccc(C)c2)c1[O-] ZINC001203609015 1133344522 /nfs/dbraw/zinc/34/45/22/1133344522.db2.gz GDTVNNOMAGHWDT-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)CCc2cccc(C)c2)c1[O-] ZINC001203609015 1133344527 /nfs/dbraw/zinc/34/45/27/1133344527.db2.gz GDTVNNOMAGHWDT-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN COc1ccc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c([O-])c1 ZINC001203629330 1133346108 /nfs/dbraw/zinc/34/61/08/1133346108.db2.gz WOQDGARIUNGGFF-HNNXBMFYSA-N 0 3 289.419 3.803 20 10 CHCDHN COc1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c([O-])c1 ZINC001203629330 1133346113 /nfs/dbraw/zinc/34/61/13/1133346113.db2.gz WOQDGARIUNGGFF-HNNXBMFYSA-N 0 3 289.419 3.803 20 10 CHCDHN CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1[O-] ZINC001203628911 1133346262 /nfs/dbraw/zinc/34/62/62/1133346262.db2.gz KQRDHDMLJLRYIY-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1[O-] ZINC001203628911 1133346268 /nfs/dbraw/zinc/34/62/68/1133346268.db2.gz KQRDHDMLJLRYIY-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN Oc1ccc(CN2CCCC[C@@H]2c2ccccc2)cc1O ZINC001203875378 1133378159 /nfs/dbraw/zinc/37/81/59/1133378159.db2.gz MZTFVVTZOXDFTQ-MRXNPFEDSA-N 0 3 283.371 3.825 20 10 CHCDHN Oc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1O ZINC001203874449 1133378683 /nfs/dbraw/zinc/37/86/83/1133378683.db2.gz YMXOZLWHHXAQFV-UHFFFAOYSA-N 0 3 297.398 3.553 20 10 CHCDHN CN(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c2ccccc21 ZINC001204236977 1133422892 /nfs/dbraw/zinc/42/28/92/1133422892.db2.gz ZATNEDKKHYKRLF-WBAXXEDZSA-N 0 3 298.405 3.696 20 10 CHCDHN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1C ZINC001204355665 1133439165 /nfs/dbraw/zinc/43/91/65/1133439165.db2.gz RFFRVCWETGDGLC-UHFFFAOYSA-N 0 3 297.398 3.663 20 10 CHCDHN Cc1ccc(C[NH2+]CCCc2ccccc2F)c([O-])c1 ZINC001205621488 1133596215 /nfs/dbraw/zinc/59/62/15/1133596215.db2.gz LHFSMDNOHSLAFU-UHFFFAOYSA-N 0 3 273.351 3.562 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c([O-])c1 ZINC001206743478 1133740533 /nfs/dbraw/zinc/74/05/33/1133740533.db2.gz TZCWOHCBGJTLEE-CGTJXYLNSA-N 0 3 299.801 3.782 20 10 CHCDHN CC[N@H+](Cc1ccc2cc[nH]c2c1)Cc1ccccc1[O-] ZINC001209515618 1134032702 /nfs/dbraw/zinc/03/27/02/1134032702.db2.gz XDBMVQVCOXVISE-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN CC[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1ccccc1[O-] ZINC001209515618 1134032710 /nfs/dbraw/zinc/03/27/10/1134032710.db2.gz XDBMVQVCOXVISE-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(N(C)C)cc1 ZINC000404819794 1134948685 /nfs/dbraw/zinc/94/86/85/1134948685.db2.gz CTULFPRWUMZHSG-ZDUSSCGKSA-N 0 3 297.377 3.614 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCc2ccccc21 ZINC000404789710 1134949761 /nfs/dbraw/zinc/94/97/61/1134949761.db2.gz NOXKOGMAILICOW-ZDUSSCGKSA-N 0 3 285.362 3.693 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCc2ccccc21 ZINC000404789710 1134949768 /nfs/dbraw/zinc/94/97/68/1134949768.db2.gz NOXKOGMAILICOW-ZDUSSCGKSA-N 0 3 285.362 3.693 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCOC1CCCCC1)CC2 ZINC000315450344 1135154716 /nfs/dbraw/zinc/15/47/16/1135154716.db2.gz KFMXZHCHFQVGIW-MRXNPFEDSA-N 0 3 289.419 3.709 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000020146052 171031813 /nfs/dbraw/zinc/03/18/13/171031813.db2.gz WOKDIDPIOMPFDO-LBPRGKRZSA-N 0 3 260.406 3.665 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000020146140 171032041 /nfs/dbraw/zinc/03/20/41/171032041.db2.gz ARAUMDVEEUJMAJ-CQSZACIVSA-N 0 3 284.403 3.617 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000035628780 172307778 /nfs/dbraw/zinc/30/77/78/172307778.db2.gz JIVMJJFNBNQFQW-STQMWFEESA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccc(F)c(Cl)c2)c1 ZINC000071409252 176156700 /nfs/dbraw/zinc/15/67/00/176156700.db2.gz XYAODNCHLNLSKE-UHFFFAOYSA-N 0 3 279.742 3.783 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000071409252 176156702 /nfs/dbraw/zinc/15/67/02/176156702.db2.gz XYAODNCHLNLSKE-UHFFFAOYSA-N 0 3 279.742 3.783 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(OC(F)F)c1 ZINC000036935076 260053841 /nfs/dbraw/zinc/05/38/41/260053841.db2.gz CYXOSNWYTHFQGO-LLVKDONJSA-N 0 3 293.313 3.844 20 10 CHCDHN COc1ccc(O)c(CN[C@H](C)c2ccc(F)cc2F)c1 ZINC000036952684 260056470 /nfs/dbraw/zinc/05/64/70/260056470.db2.gz AJKCRCUWRLIEGR-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN c1ccc2c(c1)SCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000037363502 260094859 /nfs/dbraw/zinc/09/48/59/260094859.db2.gz CMZOFDYNZVEARU-INIZCTEOSA-N 0 3 297.423 3.948 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000077467855 260297137 /nfs/dbraw/zinc/29/71/37/260297137.db2.gz MYSUMABQJFGXLL-UHFFFAOYSA-N 0 3 273.763 3.825 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccccc1[O-] ZINC000155385765 261101290 /nfs/dbraw/zinc/10/12/90/261101290.db2.gz IKTHUFWCFUIDCB-MRXNPFEDSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1ccccc1[O-] ZINC000155925337 261110146 /nfs/dbraw/zinc/11/01/46/261110146.db2.gz JXTCIJJXXFZRPV-MEDUHNTESA-N 0 3 288.391 3.669 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)c1c(C)noc1C)c1ccccc1[O-] ZINC000156866933 261134102 /nfs/dbraw/zinc/13/41/02/261134102.db2.gz AJVHYHUHAAZGAY-XHDPSFHLSA-N 0 3 288.391 3.841 20 10 CHCDHN CCOCc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183410255 261973435 /nfs/dbraw/zinc/97/34/35/261973435.db2.gz NDPGFEBKXIHRKA-CQSZACIVSA-N 0 3 285.387 3.780 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1F ZINC000184927837 262034244 /nfs/dbraw/zinc/03/42/44/262034244.db2.gz RBNJLIOAUFBIJG-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN CC(=O)Nc1cccc(CN[C@@H](C)c2cc(C)ccc2O)c1 ZINC000185020831 262038202 /nfs/dbraw/zinc/03/82/02/262038202.db2.gz PPVAWLMNQCPNOJ-ZDUSSCGKSA-N 0 3 298.386 3.510 20 10 CHCDHN CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185020831 262038203 /nfs/dbraw/zinc/03/82/03/262038203.db2.gz PPVAWLMNQCPNOJ-ZDUSSCGKSA-N 0 3 298.386 3.510 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(Cl)nc2)c1 ZINC000185073994 262040496 /nfs/dbraw/zinc/04/04/96/262040496.db2.gz ZQNHVCXAGOCDMX-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN CCOc1ccccc1CN[C@H](C)c1cc(C)ccc1O ZINC000185103462 262041086 /nfs/dbraw/zinc/04/10/86/262041086.db2.gz QFHUCNOYWLNGTO-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c([O-])c1 ZINC000185120262 262042567 /nfs/dbraw/zinc/04/25/67/262042567.db2.gz SLPVOQZRELCGNB-UONOGXRCSA-N 0 3 285.387 3.605 20 10 CHCDHN COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])ccc1C ZINC000185193183 262045110 /nfs/dbraw/zinc/04/51/10/262045110.db2.gz QHVMTCAASQMCSJ-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000186035455 262075969 /nfs/dbraw/zinc/07/59/69/262075969.db2.gz NHEBICJCAPTJRV-LRDDRELGSA-N 0 3 289.350 3.570 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1[O-] ZINC000186130151 262080874 /nfs/dbraw/zinc/08/08/74/262080874.db2.gz ZGZKOAMUOBOERS-TZMCWYRMSA-N 0 3 293.382 3.674 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000186129705 262081163 /nfs/dbraw/zinc/08/11/63/262081163.db2.gz YJIVNXFTHZRFDI-HUUCEWRRSA-N 0 3 289.419 3.843 20 10 CHCDHN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186158343 262082598 /nfs/dbraw/zinc/08/25/98/262082598.db2.gz NCQCGRSHQSQXOV-ZJUUUORDSA-N 0 3 292.354 3.590 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000186612934 262101761 /nfs/dbraw/zinc/10/17/61/262101761.db2.gz CNZNSJPTKLWUGQ-AWEZNQCLSA-N 0 3 299.414 3.779 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000186612918 262101882 /nfs/dbraw/zinc/10/18/82/262101882.db2.gz CNZNSJPTKLWUGQ-CQSZACIVSA-N 0 3 299.414 3.779 20 10 CHCDHN CSCCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000186774116 262109527 /nfs/dbraw/zinc/10/95/27/262109527.db2.gz JFNAZHJWNHUWBF-LBPRGKRZSA-N 0 3 253.411 3.576 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000281226270 263067406 /nfs/dbraw/zinc/06/74/06/263067406.db2.gz VJKPEQXCRUXUHS-DGCLKSJQSA-N 0 3 269.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCCCCF)C[C@H]1CCCO1 ZINC000284050828 263085417 /nfs/dbraw/zinc/08/54/17/263085417.db2.gz JPNZILVBUKICCR-MRXNPFEDSA-N 0 3 295.398 3.513 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCCCCF)C[C@H]1CCCO1 ZINC000284050828 263085418 /nfs/dbraw/zinc/08/54/18/263085418.db2.gz JPNZILVBUKICCR-MRXNPFEDSA-N 0 3 295.398 3.513 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c([O-])c1 ZINC000370375081 267313497 /nfs/dbraw/zinc/31/34/97/267313497.db2.gz QWWMVJFOAANCDB-KDOFPFPSSA-N 0 3 296.414 3.538 20 10 CHCDHN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185564336 327841050 /nfs/dbraw/zinc/84/10/50/327841050.db2.gz MQONWBZYBFYEOM-OLZOCXBDSA-N 0 3 265.397 3.555 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000090339504 327094158 /nfs/dbraw/zinc/09/41/58/327094158.db2.gz MBTJCKHUELCVNA-OLZOCXBDSA-N 0 3 271.360 3.813 20 10 CHCDHN COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000378630015 329057144 /nfs/dbraw/zinc/05/71/44/329057144.db2.gz GDCKPYDHAMOMDM-IUODEOHRSA-N 0 3 299.370 3.575 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CC=CCC1)CC2 ZINC000527977518 330302248 /nfs/dbraw/zinc/30/22/48/330302248.db2.gz JEMBZTNHWWVMFH-DZGCQCFKSA-N 0 3 257.377 3.716 20 10 CHCDHN CC[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(C)cc1[O-] ZINC000528008983 330303762 /nfs/dbraw/zinc/30/37/62/330303762.db2.gz UWXLVSPUGDMGAA-ACMLMGIUSA-N 0 3 277.408 3.553 20 10 CHCDHN CCC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CCOCC1 ZINC000273576862 334767233 /nfs/dbraw/zinc/76/72/33/334767233.db2.gz LYVTVNMXZRYZJU-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN CCCCN1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000037149769 520577916 /nfs/dbraw/zinc/57/79/16/520577916.db2.gz BRYVEQHZYIBCPI-OAHLLOKOSA-N 0 3 290.451 3.616 20 10 CHCDHN CCC[N@H+](Cc1ccnc(Cl)c1)Cc1ccccc1[O-] ZINC000068973511 521690937 /nfs/dbraw/zinc/69/09/37/521690937.db2.gz BSSIFXBYGQBEEI-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN CCC[N@@H+](Cc1ccnc(Cl)c1)Cc1ccccc1[O-] ZINC000068973511 521690939 /nfs/dbraw/zinc/69/09/39/521690939.db2.gz BSSIFXBYGQBEEI-UHFFFAOYSA-N 0 3 290.794 3.853 20 10 CHCDHN CCc1nc(C)c(CN[C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000291970941 522203721 /nfs/dbraw/zinc/20/37/21/522203721.db2.gz TZCQLCGFPXMCFT-LBPRGKRZSA-N 0 3 288.391 3.719 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(C)cc1[O-] ZINC000279999759 522570705 /nfs/dbraw/zinc/57/07/05/522570705.db2.gz FWHCILWAJXAJMX-ZFWWWQNUSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280270783 522600465 /nfs/dbraw/zinc/60/04/65/522600465.db2.gz XUXJESBEFNCECX-ZBFHGGJFSA-N 0 3 277.408 3.701 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(C)cc1[O-] ZINC000280082576 522621979 /nfs/dbraw/zinc/62/19/79/522621979.db2.gz LUIDMGJGQHUAHK-OCCSQVGLSA-N 0 3 297.489 3.590 20 10 CHCDHN CC[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccccc1[O-] ZINC000365077516 522624198 /nfs/dbraw/zinc/62/41/98/522624198.db2.gz KRIMDFAGQXSYCM-RYQLBKOJSA-N 0 3 289.419 3.638 20 10 CHCDHN CC[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccccc1[O-] ZINC000365077507 522625733 /nfs/dbraw/zinc/62/57/33/522625733.db2.gz KRIMDFAGQXSYCM-CGTJXYLNSA-N 0 3 289.419 3.638 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(OC)ccc1[O-])c1ccccc1 ZINC000051626638 522643209 /nfs/dbraw/zinc/64/32/09/522643209.db2.gz CZEFWPDAJMOIJR-INIZCTEOSA-N 0 3 271.360 3.642 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccc(C)cc1[O-] ZINC000280269129 522701018 /nfs/dbraw/zinc/70/10/18/522701018.db2.gz XTNQQKNLAILEGO-LRDDRELGSA-N 0 3 287.407 3.544 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(C)cc1[O-] ZINC000280241337 522726606 /nfs/dbraw/zinc/72/66/06/522726606.db2.gz VZZWYIJTPPGMRU-DIECFANBSA-N 0 3 289.419 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(C)cc1[O-] ZINC000280241349 522727675 /nfs/dbraw/zinc/72/76/75/522727675.db2.gz VZZWYIJTPPGMRU-YALNPMBYSA-N 0 3 289.419 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCCSC1)c1ccc(C)cc1[O-] ZINC000280009294 522753279 /nfs/dbraw/zinc/75/32/79/522753279.db2.gz GPCHNJCGRROHCP-JSGCOSHPSA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@@H]([NH2+]CCc1csc(C)n1)c1ccc(C)cc1[O-] ZINC000280156354 522844318 /nfs/dbraw/zinc/84/43/18/522844318.db2.gz QLICXBROCUJQNE-OAHLLOKOSA-N 0 3 290.432 3.749 20 10 CHCDHN COCC1(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CCC1 ZINC000293701921 522862978 /nfs/dbraw/zinc/86/29/78/522862978.db2.gz MEOSNCTVYKLVCF-HNNXBMFYSA-N 0 3 291.435 3.866 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000037668244 522878131 /nfs/dbraw/zinc/87/81/31/522878131.db2.gz ZYUSMJSWSIZVTP-OAHLLOKOSA-N 0 3 286.331 3.541 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(C)cc1[O-] ZINC000280022067 522880665 /nfs/dbraw/zinc/88/06/65/522880665.db2.gz HLWMDDWYULWFRD-OAHLLOKOSA-N 0 3 299.370 3.670 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(C)cc1[O-] ZINC000280269132 522941078 /nfs/dbraw/zinc/94/10/78/522941078.db2.gz XTNQQKNLAILEGO-MLGOLLRUSA-N 0 3 287.407 3.544 20 10 CHCDHN COCc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617741 523057107 /nfs/dbraw/zinc/05/71/07/523057107.db2.gz YYJKPXCJYPOYIP-LBPRGKRZSA-N 0 3 289.350 3.529 20 10 CHCDHN COCc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617647 523106423 /nfs/dbraw/zinc/10/64/23/523106423.db2.gz ZGPJFUJTYPXAHA-LBPRGKRZSA-N 0 3 289.350 3.529 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCSCC2)c([O-])c1 ZINC000294895771 524334216 /nfs/dbraw/zinc/33/42/16/524334216.db2.gz VOCYKVFPLSJEMX-LBPRGKRZSA-N 0 3 265.422 3.555 20 10 CHCDHN C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000277252233 525139304 /nfs/dbraw/zinc/13/93/04/525139304.db2.gz AHOJEAGKOMCLCQ-RDTXWAMCSA-N 0 3 297.398 3.574 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000071407703 525346015 /nfs/dbraw/zinc/34/60/15/525346015.db2.gz UBESIRUXKFECKZ-UHFFFAOYSA-N 0 3 287.325 3.911 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000071409285 525355726 /nfs/dbraw/zinc/35/57/26/525355726.db2.gz RGKNLHBUGJNLBE-AWEZNQCLSA-N 0 3 273.401 3.929 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc2c(cc1[O-])CCCC2 ZINC000280120758 525392848 /nfs/dbraw/zinc/39/28/48/525392848.db2.gz PNLURBGVMFFKBF-STQMWFEESA-N 0 3 291.460 3.675 20 10 CHCDHN Cc1cc([C@@H](C)[NH2+]Cc2ccccc2[O-])c(C)s1 ZINC000037122875 525468302 /nfs/dbraw/zinc/46/83/02/525468302.db2.gz UDZRITWHXBZYNQ-LLVKDONJSA-N 0 3 261.390 3.921 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc([N+](=O)[O-])cc1 ZINC000297448959 525581359 /nfs/dbraw/zinc/58/13/59/525581359.db2.gz WUVCWJBSGVNPHO-XHDPSFHLSA-N 0 3 298.342 3.639 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc32)c([O-])c1 ZINC000290459489 525921873 /nfs/dbraw/zinc/92/18/73/525921873.db2.gz WLVYRWRVRVUUMM-UONOGXRCSA-N 0 3 283.371 3.527 20 10 CHCDHN COc1cccc(CNC(C)(C)c2cccc(F)c2)c1O ZINC000076901912 526011219 /nfs/dbraw/zinc/01/12/19/526011219.db2.gz MSHIHRMLXNRSBQ-UHFFFAOYSA-N 0 3 289.350 3.565 20 10 CHCDHN COc1cccc(C[NH2+]C(C)(C)c2cccc(F)c2)c1[O-] ZINC000076901912 526011224 /nfs/dbraw/zinc/01/12/24/526011224.db2.gz MSHIHRMLXNRSBQ-UHFFFAOYSA-N 0 3 289.350 3.565 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1[O-] ZINC000020138416 526028322 /nfs/dbraw/zinc/02/83/22/526028322.db2.gz FQZVUQXSEHCDGS-AWEZNQCLSA-N 0 3 285.387 3.512 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2cc(C)sc2C)c1[O-] ZINC000037123006 526032066 /nfs/dbraw/zinc/03/20/66/526032066.db2.gz SJPVEUIMAZIKPB-NSHDSACASA-N 0 3 291.416 3.930 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000129065847 1125471974 /nfs/dbraw/zinc/47/19/74/1125471974.db2.gz LORYEGKHNWUYEZ-BEFAXECRSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000129065847 1125471979 /nfs/dbraw/zinc/47/19/79/1125471979.db2.gz LORYEGKHNWUYEZ-BEFAXECRSA-N 0 3 297.398 3.546 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000186774464 1120665847 /nfs/dbraw/zinc/66/58/47/1120665847.db2.gz KFVPHEQKXAUTGC-JQWIXIFHSA-N 0 3 276.405 3.611 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCCCCC1 ZINC000226562006 1121157554 /nfs/dbraw/zinc/15/75/54/1121157554.db2.gz IRFCNNIVBIBTAM-UHFFFAOYSA-N 0 3 251.345 3.686 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCCCCC1 ZINC000226562006 1121157559 /nfs/dbraw/zinc/15/75/59/1121157559.db2.gz IRFCNNIVBIBTAM-UHFFFAOYSA-N 0 3 251.345 3.686 20 10 CHCDHN CSCC1(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000850506330 1123276386 /nfs/dbraw/zinc/27/63/86/1123276386.db2.gz ISVNDLIXOHZCPR-ZDUSSCGKSA-N 0 3 279.449 3.885 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000134225730 1125544520 /nfs/dbraw/zinc/54/45/20/1125544520.db2.gz HTTKCIBXOMKNEL-UHFFFAOYSA-N 0 3 297.276 3.581 20 10 CHCDHN Oc1cccc2c1[C@@H](NCc1cscc1Cl)CC2 ZINC000886657838 1125704619 /nfs/dbraw/zinc/70/46/19/1125704619.db2.gz FVWNUGAXXCZVMV-LBPRGKRZSA-N 0 3 279.792 3.884 20 10 CHCDHN CC[C@@H](NCc1cc(C2CC2)no1)c1ccc(C)cc1O ZINC000886684868 1125708845 /nfs/dbraw/zinc/70/88/45/1125708845.db2.gz UXFHDSWHZPKSNP-OAHLLOKOSA-N 0 3 286.375 3.807 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1cc(F)ccc1[O-] ZINC000886731101 1125713969 /nfs/dbraw/zinc/71/39/69/1125713969.db2.gz UZTVSOKTRJJNEM-OCCSQVGLSA-N 0 3 293.382 3.531 20 10 CHCDHN COc1ccccc1CN(C)Cc1cc(C)c(C)cc1O ZINC000192468317 1125768802 /nfs/dbraw/zinc/76/88/02/1125768802.db2.gz PXZMBMJQJFVRBB-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1cccc(O)c1 ZINC000179560943 1126829251 /nfs/dbraw/zinc/82/92/51/1126829251.db2.gz SJHVDUILQIRPFR-CYBMUJFWSA-N 0 3 271.360 3.681 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1cccc(O)c1 ZINC000179560943 1126829253 /nfs/dbraw/zinc/82/92/53/1126829253.db2.gz SJHVDUILQIRPFR-CYBMUJFWSA-N 0 3 271.360 3.681 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000179553517 1126829788 /nfs/dbraw/zinc/82/97/88/1126829788.db2.gz ZDPAQWOQQCQYLZ-ZDUSSCGKSA-N 0 3 259.374 3.791 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000179553517 1126829790 /nfs/dbraw/zinc/82/97/90/1126829790.db2.gz ZDPAQWOQQCQYLZ-ZDUSSCGKSA-N 0 3 259.374 3.791 20 10 CHCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1cccc(F)c1 ZINC000180741804 1126848288 /nfs/dbraw/zinc/84/82/88/1126848288.db2.gz VXKWXYHYVMCLTF-UHFFFAOYSA-N 0 3 277.314 3.695 20 10 CHCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1C ZINC000183460700 1126887874 /nfs/dbraw/zinc/88/78/74/1126887874.db2.gz BIENWIYIVXVTRF-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC1CCC1 ZINC001235681539 1130768338 /nfs/dbraw/zinc/76/83/38/1130768338.db2.gz AMINTHQPCHZNAF-UHFFFAOYSA-N 0 3 261.409 3.922 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)C2CCCCCC2)c([O-])c1 ZINC000149992456 1127038744 /nfs/dbraw/zinc/03/87/44/1127038744.db2.gz JKMJQFWBMJIEFZ-CYBMUJFWSA-N 0 3 277.408 3.849 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](CC2CC2)C2CC2)c([O-])c1 ZINC001237056308 1131042165 /nfs/dbraw/zinc/04/21/65/1131042165.db2.gz WZHMNZGKMGGZML-UHFFFAOYSA-N 0 3 259.393 3.890 20 10 CHCDHN CC[C@H]([NH2+]CCSC(C)(C)C)c1ccccc1[O-] ZINC000156474765 1127157939 /nfs/dbraw/zinc/15/79/39/1127157939.db2.gz WUOQTKMSXBUIJD-ZDUSSCGKSA-N 0 3 267.438 3.965 20 10 CHCDHN COCCC(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285462793 1127230231 /nfs/dbraw/zinc/23/02/31/1127230231.db2.gz ZZPAEEPIMQKFGQ-AWEZNQCLSA-N 0 3 279.424 3.722 20 10 CHCDHN CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccccc1[O-] ZINC000760903766 1127325120 /nfs/dbraw/zinc/32/51/20/1127325120.db2.gz YRGTXWGIIAEOBV-ZJUUUORDSA-N 0 3 261.287 3.774 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CCCC2)CC1 ZINC000226564521 1127410918 /nfs/dbraw/zinc/41/09/18/1127410918.db2.gz UBGTZHJRKBJGDH-UHFFFAOYSA-N 0 3 263.356 3.688 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000226587998 1127412616 /nfs/dbraw/zinc/41/26/16/1127412616.db2.gz FPMSUVLECUYFHP-UHFFFAOYSA-N 0 3 299.267 3.840 20 10 CHCDHN Cc1cc(CN(C)[C@H](C)c2ccccn2)ccc1N(C)C ZINC000293771702 1127519312 /nfs/dbraw/zinc/51/93/12/1127519312.db2.gz KYWRPFSXLYWHIY-OAHLLOKOSA-N 0 3 283.419 3.649 20 10 CHCDHN C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[O-] ZINC000295094376 1127619386 /nfs/dbraw/zinc/61/93/86/1127619386.db2.gz UFQDSKBQSVPTJX-ZYHUDNBSSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[O-] ZINC000295094376 1127619389 /nfs/dbraw/zinc/61/93/89/1127619389.db2.gz UFQDSKBQSVPTJX-ZYHUDNBSSA-N 0 3 273.298 3.555 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000295783840 1127652952 /nfs/dbraw/zinc/65/29/52/1127652952.db2.gz ADELAVWGYDJSFU-GWCFXTLKSA-N 0 3 288.416 3.538 20 10 CHCDHN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000229121184 1127650931 /nfs/dbraw/zinc/65/09/31/1127650931.db2.gz WEZAQJGVAMVYNT-ZWNOBZJWSA-N 0 3 283.799 3.817 20 10 CHCDHN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000229121184 1127650932 /nfs/dbraw/zinc/65/09/32/1127650932.db2.gz WEZAQJGVAMVYNT-ZWNOBZJWSA-N 0 3 283.799 3.817 20 10 CHCDHN Cc1cc(Cl)nc(CN[C@H]2CCc3cccc(O)c32)c1 ZINC000296495857 1127673762 /nfs/dbraw/zinc/67/37/62/1127673762.db2.gz PVIRQBBFYRPRKV-ZDUSSCGKSA-N 0 3 288.778 3.526 20 10 CHCDHN CC(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1cccnc1 ZINC000297619706 1127701649 /nfs/dbraw/zinc/70/16/49/1127701649.db2.gz IWGOPEIVBAMFMI-SJORKVTESA-N 0 3 296.414 3.804 20 10 CHCDHN CC(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccnc1 ZINC000297619702 1127701687 /nfs/dbraw/zinc/70/16/87/1127701687.db2.gz IWGOPEIVBAMFMI-IAGOWNOFSA-N 0 3 296.414 3.804 20 10 CHCDHN C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000171926035 1127734257 /nfs/dbraw/zinc/73/42/57/1127734257.db2.gz UXTAPLCSMNYPCO-LLVKDONJSA-N 0 3 277.314 3.863 20 10 CHCDHN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000171926035 1127734258 /nfs/dbraw/zinc/73/42/58/1127734258.db2.gz UXTAPLCSMNYPCO-LLVKDONJSA-N 0 3 277.314 3.863 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000230407280 1127752416 /nfs/dbraw/zinc/75/24/16/1127752416.db2.gz FTIURANCXNKSLK-GHMZBOCLSA-N 0 3 283.799 3.580 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000372096556 1127787945 /nfs/dbraw/zinc/78/79/45/1127787945.db2.gz TVVFVUIGFJCCSA-DOPJRALCSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000373344499 1127835668 /nfs/dbraw/zinc/83/56/68/1127835668.db2.gz BAABVPALLSJTMR-MORSLUCNSA-N 0 3 289.419 3.556 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C)c2c1 ZINC000173528248 1127837574 /nfs/dbraw/zinc/83/75/74/1127837574.db2.gz JVUBXBASRXJYBX-GFCCVEGCSA-N 0 3 271.360 3.538 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C)c2c1 ZINC000173528248 1127837578 /nfs/dbraw/zinc/83/75/78/1127837578.db2.gz JVUBXBASRXJYBX-GFCCVEGCSA-N 0 3 271.360 3.538 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccccc1[O-] ZINC000296443381 1129222783 /nfs/dbraw/zinc/22/27/83/1129222783.db2.gz ZQTLIROAQIFPBA-VXGBXAGGSA-N 0 3 269.335 3.868 20 10 CHCDHN CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000784266112 1127926091 /nfs/dbraw/zinc/92/60/91/1127926091.db2.gz PYECVWYKLVQRRE-AWEZNQCLSA-N 0 3 293.407 3.555 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H](C)C2)c([O-])c1 ZINC000927032732 1128209605 /nfs/dbraw/zinc/20/96/05/1128209605.db2.gz OPYVQMQTQJJAPC-RWMBFGLXSA-N 0 3 265.422 3.635 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cc(F)ccc1[O-] ZINC000927063599 1128213420 /nfs/dbraw/zinc/21/34/20/1128213420.db2.gz HNTUOSJGNDWKDG-ABAIWWIYSA-N 0 3 286.350 3.655 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccccc1[O-] ZINC000927062744 1128213665 /nfs/dbraw/zinc/21/36/65/1128213665.db2.gz LNEUGJUJQYVZDS-WFASDCNBSA-N 0 3 268.360 3.515 20 10 CHCDHN COc1cccc([C@H](C)N[C@H]2CCCc3cccnc32)c1O ZINC000927064261 1128214333 /nfs/dbraw/zinc/21/43/33/1128214333.db2.gz RJIQJWBQMUHIDR-WFASDCNBSA-N 0 3 298.386 3.524 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccccc1[O-] ZINC000778236893 1128458256 /nfs/dbraw/zinc/45/82/56/1128458256.db2.gz OLTXWVHKGQKSLF-QGZVFWFLSA-N 0 3 283.371 3.663 20 10 CHCDHN CC(C)N(C/C=C\Cl)Cc1ccc(N(C)C)cc1 ZINC000917075052 1128474871 /nfs/dbraw/zinc/47/48/71/1128474871.db2.gz OWUKENIXAKNXNJ-YHYXMXQVSA-N 0 3 266.816 3.716 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cccc(OC)c1)c1ccccc1[O-] ZINC000155180136 1128663969 /nfs/dbraw/zinc/66/39/69/1128663969.db2.gz IYYQJDCPQVFVJW-QGZVFWFLSA-N 0 3 285.387 3.684 20 10 CHCDHN CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000779016990 1128682064 /nfs/dbraw/zinc/68/20/64/1128682064.db2.gz JCKIEHVRICUXET-QGZVFWFLSA-N 0 3 269.388 3.749 20 10 CHCDHN CC(C)C[C@H](C)C[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001258055085 1128711932 /nfs/dbraw/zinc/71/19/32/1128711932.db2.gz IUQISWYWIFHDHW-STQMWFEESA-N 0 3 265.397 3.648 20 10 CHCDHN CC1(c2ccccc2)CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000779074931 1128720082 /nfs/dbraw/zinc/72/00/82/1128720082.db2.gz SVJIWFABJVYKAZ-UHFFFAOYSA-N 0 3 285.362 3.741 20 10 CHCDHN C[C@@H]([NH2+]C/C=C/c1ccccc1)c1cc(F)ccc1[O-] ZINC000185440356 1117823247 /nfs/dbraw/zinc/82/32/47/1117823247.db2.gz PIECKWORKGEWGM-OQHXTRMZSA-N 0 3 271.335 3.895 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2cc(F)ccc2F)c([O-])c1 ZINC000185633866 1117860451 /nfs/dbraw/zinc/86/04/51/1117860451.db2.gz DKAHOAUSOUAQIE-LBPRGKRZSA-N 0 3 291.341 3.872 20 10 CHCDHN Cc1oc2ccccc2c1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000185668466 1117867411 /nfs/dbraw/zinc/86/74/11/1117867411.db2.gz INONPIJMQRNIQR-UHFFFAOYSA-N 0 3 285.318 3.876 20 10 CHCDHN CCc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000179875445 1128763617 /nfs/dbraw/zinc/76/36/17/1128763617.db2.gz JMGVTFMULUVZBC-ZDUSSCGKSA-N 0 3 255.361 3.805 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccncc1OC)c1ccccc1[O-] ZINC000188763282 1128765274 /nfs/dbraw/zinc/76/52/74/1128765274.db2.gz SMNMKAYQTVLEMP-DOMZBBRYSA-N 0 3 286.375 3.598 20 10 CHCDHN CC[C@H]([NH2+]CCOCc1ccccc1)c1ccccc1[O-] ZINC000186231690 1118395363 /nfs/dbraw/zinc/39/53/63/1118395363.db2.gz GTWLFPYQKLWFSU-KRWDZBQOSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c1[O-] ZINC000252854016 1118550241 /nfs/dbraw/zinc/55/02/41/1118550241.db2.gz KPFGFBCITUUHPG-WDEREUQCSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2C)c1[O-] ZINC000252854016 1118550243 /nfs/dbraw/zinc/55/02/43/1118550243.db2.gz KPFGFBCITUUHPG-WDEREUQCSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(F)cc2F)c1 ZINC000051016601 1118605161 /nfs/dbraw/zinc/60/51/61/1118605161.db2.gz ICKOGDGCFWUXET-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN CC(C)(C)SCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296717317 1118607406 /nfs/dbraw/zinc/60/74/06/1118607406.db2.gz IMZFZVFAIAUGMH-LBPRGKRZSA-N 0 3 265.422 3.501 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCOC1)c1ccccc1[O-] ZINC000723990990 1118797671 /nfs/dbraw/zinc/79/76/71/1118797671.db2.gz YGNUPKRMNGBRLX-BPUTZDHNSA-N 0 3 277.408 3.638 20 10 CHCDHN CCC(C)(C)OCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000308764867 1118898785 /nfs/dbraw/zinc/89/87/85/1118898785.db2.gz ZXICWGYDPKQRAI-CYBMUJFWSA-N 0 3 265.397 3.556 20 10 CHCDHN COc1ccc(CNC2(c3ccccc3)CC2)cc1C ZINC000068979946 1128814828 /nfs/dbraw/zinc/81/48/28/1128814828.db2.gz IKPJIKFXKLBXRS-UHFFFAOYSA-N 0 3 267.372 3.783 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])s1 ZINC000226586207 1119212998 /nfs/dbraw/zinc/21/29/98/1119212998.db2.gz ZYPWYPDRGMGRQY-SNVBAGLBSA-N 0 3 265.353 3.752 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cccc(C)c1)c1ccccc1[O-] ZINC000051668733 1119641188 /nfs/dbraw/zinc/64/11/88/1119641188.db2.gz SYOYGGVXIFQVTG-QGZVFWFLSA-N 0 3 269.388 3.984 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000310933170 1119993456 /nfs/dbraw/zinc/99/34/56/1119993456.db2.gz HYLYWDQSTWIZQB-CMPLNLGQSA-N 0 3 255.308 3.621 20 10 CHCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000272467426 1120046757 /nfs/dbraw/zinc/04/67/57/1120046757.db2.gz RIUOBEMWMZPKKO-UHFFFAOYSA-N 0 3 259.324 3.556 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccccc1[O-] ZINC000695066085 1120100479 /nfs/dbraw/zinc/10/04/79/1120100479.db2.gz MWTCILQVVPLUTA-QWRGUYRKSA-N 0 3 255.308 3.621 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccccc1[O-] ZINC000695065877 1120100707 /nfs/dbraw/zinc/10/07/07/1120100707.db2.gz MWTCILQVVPLUTA-GHMZBOCLSA-N 0 3 255.308 3.621 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCOC(C)(C)C)c([O-])c1 ZINC000695281358 1120184147 /nfs/dbraw/zinc/18/41/47/1120184147.db2.gz RSZKCOQKXNWLCD-ZDUSSCGKSA-N 0 3 265.397 3.556 20 10 CHCDHN c1cncc([C@H](NCc2ccc3c(c2)CCCO3)C2CC2)c1 ZINC000921939453 1120294068 /nfs/dbraw/zinc/29/40/68/1120294068.db2.gz BMRFLMAJTGZWJJ-LJQANCHMSA-N 0 3 294.398 3.648 20 10 CHCDHN COc1ccc(N2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC000078224898 1128907528 /nfs/dbraw/zinc/90/75/28/1128907528.db2.gz MVDSWWAQXCKIES-INIZCTEOSA-N 0 3 296.414 3.578 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCNc2ccccc2)c([O-])c1 ZINC000185489528 1120378434 /nfs/dbraw/zinc/37/84/34/1120378434.db2.gz AUQTWDZVZXLAOQ-HNNXBMFYSA-N 0 3 284.403 3.853 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1[O-] ZINC000922328648 1120513847 /nfs/dbraw/zinc/51/38/47/1120513847.db2.gz GRGJYJXEQIIEHO-OLZOCXBDSA-N 0 3 283.371 3.566 20 10 CHCDHN CCC[N@H+](Cc1occc1C)Cc1ccccc1[O-] ZINC000092705028 1120552926 /nfs/dbraw/zinc/55/29/26/1120552926.db2.gz CREAVVOBULFWRT-UHFFFAOYSA-N 0 3 259.349 3.706 20 10 CHCDHN CCC[N@@H+](Cc1occc1C)Cc1ccccc1[O-] ZINC000092705028 1120552930 /nfs/dbraw/zinc/55/29/30/1120552930.db2.gz CREAVVOBULFWRT-UHFFFAOYSA-N 0 3 259.349 3.706 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000857082392 1120629201 /nfs/dbraw/zinc/62/92/01/1120629201.db2.gz NDDGDQQZBHOHFI-RKDXNWHRSA-N 0 3 292.181 3.766 20 10 CHCDHN Cc1ccc(C[C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000312900056 1120654257 /nfs/dbraw/zinc/65/42/57/1120654257.db2.gz YHMZMHKQRMXBBR-ABAIWWIYSA-N 0 3 287.428 3.970 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000186774484 1120666046 /nfs/dbraw/zinc/66/60/46/1120666046.db2.gz KFVPHEQKXAUTGC-PWSUYJOCSA-N 0 3 276.405 3.611 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+](C)CC(C)C)c1[O-] ZINC000162809035 1120752507 /nfs/dbraw/zinc/75/25/07/1120752507.db2.gz AJKIXWRAXVCPGY-UHFFFAOYSA-N 0 3 286.213 3.551 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+](C)CC(C)C)c1[O-] ZINC000162809035 1120752501 /nfs/dbraw/zinc/75/25/01/1120752501.db2.gz AJKIXWRAXVCPGY-UHFFFAOYSA-N 0 3 286.213 3.551 20 10 CHCDHN Cc1nc(C(C)(C)NCc2cccc(C)c2O)sc1C ZINC000182223387 1128946499 /nfs/dbraw/zinc/94/64/99/1128946499.db2.gz FPUOCWBGTBYOSC-UHFFFAOYSA-N 0 3 290.432 3.799 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000228561344 1120972020 /nfs/dbraw/zinc/97/20/20/1120972020.db2.gz FKUFGNCZJQGVPD-QWRGUYRKSA-N 0 3 283.799 3.532 20 10 CHCDHN COc1ccc(C[NH2+][C@H]2CCCCC23CCCC3)c([O-])c1 ZINC000314940893 1120982092 /nfs/dbraw/zinc/98/20/92/1120982092.db2.gz SDUOUNZGFKFWBD-KRWDZBQOSA-N 0 3 289.419 3.993 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(C)cc1[O-] ZINC000282516658 1121064246 /nfs/dbraw/zinc/06/42/46/1121064246.db2.gz UEANOCGTRONQQL-HZPDHXFCSA-N 0 3 299.418 3.552 20 10 CHCDHN CC[C@H]([NH2+]CCC1(F)CCC1)c1ccccc1[O-] ZINC000702433204 1121199573 /nfs/dbraw/zinc/19/95/73/1121199573.db2.gz UXORJYFEZVLHBG-ZDUSSCGKSA-N 0 3 251.345 3.715 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)c([O-])c1 ZINC000231791499 1121244167 /nfs/dbraw/zinc/24/41/67/1121244167.db2.gz PYVKAOSZCBJJSG-VHSXEESVSA-N 0 3 261.287 3.692 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccccc1[O-] ZINC000704777418 1121367855 /nfs/dbraw/zinc/36/78/55/1121367855.db2.gz TZKPJKZLLYEKMG-TZMCWYRMSA-N 0 3 265.422 3.576 20 10 CHCDHN CCN(C)c1ccc(CN(C)Cc2cccs2)cc1 ZINC000773732497 1121774114 /nfs/dbraw/zinc/77/41/14/1121774114.db2.gz CEMDREQZBKAZBH-UHFFFAOYSA-N 0 3 274.433 3.836 20 10 CHCDHN COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC001179489518 1121883483 /nfs/dbraw/zinc/88/34/83/1121883483.db2.gz RTBHRJYTXZZDMD-CJNGLKHVSA-N 0 3 297.398 3.609 20 10 CHCDHN Cc1occc1CNCc1c(C)c2ccccc2n1C ZINC000414444526 1121989556 /nfs/dbraw/zinc/98/95/56/1121989556.db2.gz KXAVJEYCWSHCFF-UHFFFAOYSA-N 0 3 268.360 3.678 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2ccc3ncccc3c2)c([O-])c1 ZINC001181435178 1122056953 /nfs/dbraw/zinc/05/69/53/1122056953.db2.gz AEQLQMCXHRSIGV-UHFFFAOYSA-N 0 3 278.355 3.539 20 10 CHCDHN COc1cccc([C@H](C)[N@H+](C)Cc2ccccc2[O-])c1 ZINC000079433189 1129034265 /nfs/dbraw/zinc/03/42/65/1129034265.db2.gz LGVCJECAYKNVIM-ZDUSSCGKSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1cccc([C@H](C)[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000079433189 1129034269 /nfs/dbraw/zinc/03/42/69/1129034269.db2.gz LGVCJECAYKNVIM-ZDUSSCGKSA-N 0 3 271.360 3.594 20 10 CHCDHN CC[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccccc1[O-] ZINC000774490473 1122169971 /nfs/dbraw/zinc/16/99/71/1122169971.db2.gz XSNOHXIDYVATEB-MRXNPFEDSA-N 0 3 290.451 3.555 20 10 CHCDHN CN(C)c1ccc(CN2CC[C@H]3C[C@H]3C2)c(C(F)(F)F)c1 ZINC001183012385 1122199884 /nfs/dbraw/zinc/19/98/84/1122199884.db2.gz RQGIJGXGOQITGY-AAEUAGOBSA-N 0 3 298.352 3.613 20 10 CHCDHN C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccccc1[O-] ZINC000272805550 1122213839 /nfs/dbraw/zinc/21/38/39/1122213839.db2.gz CCRZKXUMJNLOMT-JEYLPNPQSA-N 0 3 267.372 3.989 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1ccccc1O ZINC000272843627 1122214349 /nfs/dbraw/zinc/21/43/49/1122214349.db2.gz JYLAUQQHVUISEG-CZUORRHYSA-N 0 3 283.371 3.793 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000272843627 1122214351 /nfs/dbraw/zinc/21/43/51/1122214351.db2.gz JYLAUQQHVUISEG-CZUORRHYSA-N 0 3 283.371 3.793 20 10 CHCDHN CC[C@](C)([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000691638784 1122221175 /nfs/dbraw/zinc/22/11/75/1122221175.db2.gz LKZQPYNBKLOGJO-HNNXBMFYSA-N 0 3 283.799 3.723 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000273391108 1122231644 /nfs/dbraw/zinc/23/16/44/1122231644.db2.gz KSBGYUIXGVZCTG-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2N(C)C)c([O-])c1 ZINC000273536909 1122237918 /nfs/dbraw/zinc/23/79/18/1122237918.db2.gz XNISGCYFNZUZCJ-AWEZNQCLSA-N 0 3 284.403 3.617 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2cn3cc(C)ccc3n2)c1 ZINC000273618330 1122241635 /nfs/dbraw/zinc/24/16/35/1122241635.db2.gz YETOZGQKLCDYHF-CQSZACIVSA-N 0 3 295.386 3.508 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccccc1[O-] ZINC000183506625 1129058831 /nfs/dbraw/zinc/05/88/31/1129058831.db2.gz JRMVWLVLLHTXJL-JKSUJKDBSA-N 0 3 298.430 3.563 20 10 CHCDHN Cc1ccc(O)c(CN[C@H](C)c2ccc(F)cc2F)c1 ZINC000071407298 1129060159 /nfs/dbraw/zinc/06/01/59/1129060159.db2.gz AWYUSDULKURCNU-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN CCC(CC)(CCO)[NH2+]Cc1cc(C(C)C)ccc1[O-] ZINC001205503820 1122532361 /nfs/dbraw/zinc/53/23/61/1122532361.db2.gz KCSPOSACOKGGCP-UHFFFAOYSA-N 0 3 279.424 3.546 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)c1ccccc1[O-] ZINC000775413851 1122556461 /nfs/dbraw/zinc/55/64/61/1122556461.db2.gz CMECFDZGGQGXFH-IEBWSBKVSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1ccccc1[O-] ZINC000775497161 1122626510 /nfs/dbraw/zinc/62/65/10/1122626510.db2.gz NQZHASXLBDVMOG-WBVHZDCISA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775508589 1122630742 /nfs/dbraw/zinc/63/07/42/1122630742.db2.gz CXXAVNUGYSNANV-WHOFXGATSA-N 0 3 296.842 3.569 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccnc(SC)c1)c1ccccc1[O-] ZINC000775519187 1122637464 /nfs/dbraw/zinc/63/74/64/1122637464.db2.gz JDVBDVDQFJPQHP-CQSZACIVSA-N 0 3 288.416 3.750 20 10 CHCDHN CC[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000775522406 1122640191 /nfs/dbraw/zinc/64/01/91/1122640191.db2.gz OPOMBGJTTSAIEP-HYVNUMGLSA-N 0 3 291.435 3.764 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000183600080 1129068747 /nfs/dbraw/zinc/06/87/47/1129068747.db2.gz UKWFVBPAEDYNPA-UKPHBRMFSA-N 0 3 267.372 3.847 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1c(C)noc1C ZINC000183630592 1129072760 /nfs/dbraw/zinc/07/27/60/1129072760.db2.gz JGYHBSRHWXKGNM-QMTHXVAHSA-N 0 3 274.364 3.799 20 10 CHCDHN CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2[O-])CCS1 ZINC000775702312 1122914346 /nfs/dbraw/zinc/91/43/46/1122914346.db2.gz OQPYGBGLQUAGIN-ZDUSSCGKSA-N 0 3 285.840 3.681 20 10 CHCDHN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CCS1 ZINC000775702312 1122914348 /nfs/dbraw/zinc/91/43/48/1122914348.db2.gz OQPYGBGLQUAGIN-ZDUSSCGKSA-N 0 3 285.840 3.681 20 10 CHCDHN COc1ccccc1CC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000105495033 1123053871 /nfs/dbraw/zinc/05/38/71/1123053871.db2.gz PHMGITZRMIZZEL-UHFFFAOYSA-N 0 3 285.387 3.512 20 10 CHCDHN CCCC[C@@H](CC)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201568286 1123125939 /nfs/dbraw/zinc/12/59/39/1123125939.db2.gz QHGSNDCNOZANSS-CQSZACIVSA-N 0 3 261.409 3.967 20 10 CHCDHN CCCC[C@@H](CC)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001201568286 1123125941 /nfs/dbraw/zinc/12/59/41/1123125941.db2.gz QHGSNDCNOZANSS-CQSZACIVSA-N 0 3 261.409 3.967 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c([O-])c1 ZINC000850363651 1123257603 /nfs/dbraw/zinc/25/76/03/1123257603.db2.gz FHQQVYUPBXQJRP-SCLBCKFNSA-N 0 3 297.398 3.609 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000850492209 1123274113 /nfs/dbraw/zinc/27/41/13/1123274113.db2.gz BQKLXRZMJRZHAS-HOCLYGCPSA-N 0 3 290.451 3.614 20 10 CHCDHN CC[C@H](COCC1CC1)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000850494121 1123275256 /nfs/dbraw/zinc/27/52/56/1123275256.db2.gz MZONSUVYKCQHGF-ZBFHGGJFSA-N 0 3 277.408 3.638 20 10 CHCDHN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850527619 1123282519 /nfs/dbraw/zinc/28/25/19/1123282519.db2.gz AYPSYUFURNHUMF-AGRHKRQWSA-N 0 3 296.414 3.582 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(F)ccc1[O-] ZINC000850543408 1123288998 /nfs/dbraw/zinc/28/89/98/1123288998.db2.gz JDBCWIMBXZHERL-MGPLVRAMSA-N 0 3 287.334 3.575 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccccc1[O-] ZINC000850553634 1123289928 /nfs/dbraw/zinc/28/99/28/1123289928.db2.gz ZTLVEOLXQCCNEM-DGCLKSJQSA-N 0 3 269.335 3.724 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c([O-])c1 ZINC000850553585 1123290238 /nfs/dbraw/zinc/29/02/38/1123290238.db2.gz ZEXGILRLJMNFKZ-GWCFXTLKSA-N 0 3 269.335 3.643 20 10 CHCDHN CC[C@@H]([NH2+]CCCc1ccco1)c1ccccc1[O-] ZINC000850569422 1123294342 /nfs/dbraw/zinc/29/43/42/1123294342.db2.gz DAUJCEQZNYSXTH-OAHLLOKOSA-N 0 3 259.349 3.659 20 10 CHCDHN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](C)O)c1ccccc1[O-] ZINC000850582912 1123296059 /nfs/dbraw/zinc/29/60/59/1123296059.db2.gz HOTIWSBEYJPSRQ-QANKJYHBSA-N 0 3 285.387 3.555 20 10 CHCDHN C[N@H+](CCSc1ccccc1F)Cc1ccccc1[O-] ZINC000111235745 1123432217 /nfs/dbraw/zinc/43/22/17/1123432217.db2.gz ZKVKSFAVZTVMNB-UHFFFAOYSA-N 0 3 291.391 3.755 20 10 CHCDHN C[N@@H+](CCSc1ccccc1F)Cc1ccccc1[O-] ZINC000111235745 1123432220 /nfs/dbraw/zinc/43/22/20/1123432220.db2.gz ZKVKSFAVZTVMNB-UHFFFAOYSA-N 0 3 291.391 3.755 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2F)c1 ZINC000111405130 1123443788 /nfs/dbraw/zinc/44/37/88/1123443788.db2.gz ODSCKIAEJSRGML-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN COc1ccc(C[NH2+]Cc2c(C)oc3ccccc32)c([O-])c1 ZINC000183922135 1129129797 /nfs/dbraw/zinc/12/97/97/1129129797.db2.gz XPQFLMRMTYENTH-UHFFFAOYSA-N 0 3 297.354 3.745 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000194155205 1129131074 /nfs/dbraw/zinc/13/10/74/1129131074.db2.gz WFMYSGLJMLICFC-ZDUSSCGKSA-N 0 3 286.341 3.527 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C2CC2)C2CC2)c1[O-] ZINC000691820684 1123594326 /nfs/dbraw/zinc/59/43/26/1123594326.db2.gz UTNDVFBRFMAUIK-UHFFFAOYSA-N 0 3 295.810 3.723 20 10 CHCDHN C[C@@H](C[N@H+](C)Cc1ccccc1[O-])c1ccccc1 ZINC000116879167 1123704036 /nfs/dbraw/zinc/70/40/36/1123704036.db2.gz ZFWSULUOMRJSAM-AWEZNQCLSA-N 0 3 255.361 3.628 20 10 CHCDHN C[C@@H](C[N@@H+](C)Cc1ccccc1[O-])c1ccccc1 ZINC000116879167 1123704040 /nfs/dbraw/zinc/70/40/40/1123704040.db2.gz ZFWSULUOMRJSAM-AWEZNQCLSA-N 0 3 255.361 3.628 20 10 CHCDHN CCN(C)c1ccc(CN2CCC(F)(F)C[C@H]2C)cc1 ZINC000859837235 1123713470 /nfs/dbraw/zinc/71/34/70/1123713470.db2.gz FLZGINIRRXIGKE-CYBMUJFWSA-N 0 3 282.378 3.762 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000777219545 1123784443 /nfs/dbraw/zinc/78/44/43/1123784443.db2.gz LPTIWNYACAFNRV-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000777219545 1123784446 /nfs/dbraw/zinc/78/44/46/1123784446.db2.gz LPTIWNYACAFNRV-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccccc1[O-] ZINC000840788677 1123802206 /nfs/dbraw/zinc/80/22/06/1123802206.db2.gz QXDOZNBVCPZAOM-DIOULYMOSA-N 0 3 271.335 3.738 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1[O-] ZINC000840859822 1123861304 /nfs/dbraw/zinc/86/13/04/1123861304.db2.gz MXXMYTYNWCHTLQ-NHCYSSNCSA-N 0 3 285.840 3.899 20 10 CHCDHN CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000192946481 1123866764 /nfs/dbraw/zinc/86/67/64/1123866764.db2.gz FLRSDLXLTQANGA-OLZOCXBDSA-N 0 3 298.386 3.762 20 10 CHCDHN Cc1nc(C)c(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000119825356 1123914432 /nfs/dbraw/zinc/91/44/32/1123914432.db2.gz ZHXWEHNIWSKKCT-NSHDSACASA-N 0 3 289.448 3.677 20 10 CHCDHN CCCC[C@H](COC)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794801659 1123950357 /nfs/dbraw/zinc/95/03/57/1123950357.db2.gz KDKMYNOKASONGL-GDBMZVCRSA-N 0 3 279.424 3.947 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802509 1123950807 /nfs/dbraw/zinc/95/08/07/1123950807.db2.gz FVTYRDCTIWFCSQ-RDJZCZTQSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794805120 1123952213 /nfs/dbraw/zinc/95/22/13/1123952213.db2.gz FWCJAOCFELCBIU-FUHWJXTLSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)CCSC)c1ccc(C)cc1[O-] ZINC000794803727 1123953343 /nfs/dbraw/zinc/95/33/43/1123953343.db2.gz SOMGHMNDNNJYJS-JSGCOSHPSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(C)cc1[O-] ZINC000794806997 1123954061 /nfs/dbraw/zinc/95/40/61/1123954061.db2.gz JDDQLSJVUWTYGM-NVXWUHKLSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@H]([NH2+]CCNc1ccccc1)c1ccc(C)cc1[O-] ZINC000794808345 1123954867 /nfs/dbraw/zinc/95/48/67/1123954867.db2.gz ADUOYLZAWURUMX-KRWDZBQOSA-N 0 3 284.403 3.853 20 10 CHCDHN CC[C@@H]([NH2+]CCc1c(C)noc1C)c1ccc(C)cc1[O-] ZINC000794811195 1123956388 /nfs/dbraw/zinc/95/63/88/1123956388.db2.gz VQVLVJFQFDAMHF-MRXNPFEDSA-N 0 3 288.391 3.589 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)c1ccc(C)cc1[O-] ZINC000794811598 1123956774 /nfs/dbraw/zinc/95/67/74/1123956774.db2.gz RYQZJEBRNGMCRG-IMJJTQAJSA-N 0 3 277.408 3.555 20 10 CHCDHN CC[C@H]([NH2+]CCOC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794816234 1123958874 /nfs/dbraw/zinc/95/88/74/1123958874.db2.gz YHOKBOGJXJQVOI-AWEZNQCLSA-N 0 3 265.397 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])[C@H]1CCCO1 ZINC000794815941 1123959243 /nfs/dbraw/zinc/95/92/43/1123959243.db2.gz MKUUQGDJCSAAKM-ZMSDIMECSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(C)cc1[O-] ZINC000794819417 1123961018 /nfs/dbraw/zinc/96/10/18/1123961018.db2.gz WPCPDEFPSWPAGE-MRXNPFEDSA-N 0 3 291.435 3.684 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc(C)cc1[O-] ZINC000794819670 1123961691 /nfs/dbraw/zinc/96/16/91/1123961691.db2.gz XDWZSUMFPRDXRM-SFHVURJKSA-N 0 3 297.398 3.972 20 10 CHCDHN FC(F)(F)[C@@H]1C[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000865754664 1124010818 /nfs/dbraw/zinc/01/08/18/1124010818.db2.gz ZDSDMBAENUTXHS-HUUCEWRRSA-N 0 3 298.352 3.717 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cnc(C)s1)c1ccccc1[O-] ZINC000866456238 1124068313 /nfs/dbraw/zinc/06/83/13/1124068313.db2.gz XMWMNXGOQHCXJF-ZWNOBZJWSA-N 0 3 276.405 3.959 20 10 CHCDHN C[C@H]([NH2+]CCSCCC(F)(F)F)c1ccccc1[O-] ZINC000866543149 1124081283 /nfs/dbraw/zinc/08/12/83/1124081283.db2.gz MHXKSKSWPNFDAF-JTQLQIEISA-N 0 3 293.354 3.728 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000037679358 1129165235 /nfs/dbraw/zinc/16/52/35/1129165235.db2.gz PPGIWFGXJCJIHO-CYBMUJFWSA-N 0 3 271.360 3.642 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cc2cnccc2o1 ZINC000866618864 1124090294 /nfs/dbraw/zinc/09/02/94/1124090294.db2.gz BKFIQPILHONUHI-BXUZGUMPSA-N 0 3 294.354 3.872 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cc2cnccc2o1 ZINC000866618866 1124090610 /nfs/dbraw/zinc/09/06/10/1124090610.db2.gz BKFIQPILHONUHI-FZMZJTMJSA-N 0 3 294.354 3.872 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])CC1(OC)CCC1 ZINC001119234814 1131247589 /nfs/dbraw/zinc/24/75/89/1131247589.db2.gz FVXDCCVKRASZEQ-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])CC1(OC)CCC1 ZINC001119234814 1131247592 /nfs/dbraw/zinc/24/75/92/1131247592.db2.gz FVXDCCVKRASZEQ-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN CC(C)Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000122876762 1124542353 /nfs/dbraw/zinc/54/23/53/1124542353.db2.gz QJCBATBYCFMUPV-UHFFFAOYSA-N 0 3 269.388 3.881 20 10 CHCDHN COCC(C)(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000872104742 1124682840 /nfs/dbraw/zinc/68/28/40/1124682840.db2.gz OIHQXTYCWIXSBO-WCQYABFASA-N 0 3 295.398 3.732 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001137059047 1124710022 /nfs/dbraw/zinc/71/00/22/1124710022.db2.gz KJFSCZLZRBQALB-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001137059047 1124710030 /nfs/dbraw/zinc/71/00/30/1124710030.db2.gz KJFSCZLZRBQALB-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(OC)cc1)c1ccccc1[O-] ZINC000019907445 1124768778 /nfs/dbraw/zinc/76/87/78/1124768778.db2.gz FRCYWHJEUBNXJY-KRWDZBQOSA-N 0 3 285.387 3.684 20 10 CHCDHN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c(C)cccc2[O-])n1 ZINC000876741346 1124975480 /nfs/dbraw/zinc/97/54/80/1124975480.db2.gz SXICKBWIVAUTJJ-KRWDZBQOSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1cccc([C@@H]2CCC[N@H+]2Cc2c(C)cccc2[O-])n1 ZINC000876741346 1124975489 /nfs/dbraw/zinc/97/54/89/1124975489.db2.gz SXICKBWIVAUTJJ-KRWDZBQOSA-N 0 3 282.387 3.741 20 10 CHCDHN COc1ccc([C@H]([NH2+]Cc2ccc(C)cc2[O-])C2CC2)cc1 ZINC000876904868 1124988416 /nfs/dbraw/zinc/98/84/16/1124988416.db2.gz MJLMXPDYMSPNKP-LJQANCHMSA-N 0 3 297.398 3.950 20 10 CHCDHN Cc1cccc(O)c1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000876945612 1124991744 /nfs/dbraw/zinc/99/17/44/1124991744.db2.gz GLKSEFPUONIZKE-JSGCOSHPSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)cc1[O-])CC2 ZINC000877015355 1124998891 /nfs/dbraw/zinc/99/88/91/1124998891.db2.gz MZXWAVNRAQSBDO-KRWDZBQOSA-N 0 3 267.372 3.786 20 10 CHCDHN Cc1nc(C(C)(C)NCc2ccc(C)cc2O)sc1C ZINC000877044486 1125001602 /nfs/dbraw/zinc/00/16/02/1125001602.db2.gz XLPQNCMYCWNOBE-UHFFFAOYSA-N 0 3 290.432 3.799 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000877377138 1125024297 /nfs/dbraw/zinc/02/42/97/1125024297.db2.gz VZUREGKNLBRDQL-IEBWSBKVSA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000877481408 1125032840 /nfs/dbraw/zinc/03/28/40/1125032840.db2.gz GTADSPHGVCOCRU-GOSISDBHSA-N 0 3 299.414 3.550 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000877556498 1125044450 /nfs/dbraw/zinc/04/44/50/1125044450.db2.gz SXZDGGXIXVIFKW-LBPRGKRZSA-N 0 3 269.335 3.616 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCCC1(F)F ZINC000877556497 1125045500 /nfs/dbraw/zinc/04/55/00/1125045500.db2.gz SXZDGGXIXVIFKW-GFCCVEGCSA-N 0 3 269.335 3.616 20 10 CHCDHN Cc1ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c([O-])c1 ZINC000877697844 1125064389 /nfs/dbraw/zinc/06/43/89/1125064389.db2.gz NVXIDNLFZCUHAV-KRWDZBQOSA-N 0 3 289.419 3.530 20 10 CHCDHN CCn1c(CN[C@@H](C)c2ccccc2O)nc2ccccc21 ZINC000877757347 1125074430 /nfs/dbraw/zinc/07/44/30/1125074430.db2.gz RTQLTVSCJVQTRN-ZDUSSCGKSA-N 0 3 295.386 3.613 20 10 CHCDHN Cc1cc(O)c(C[NH2+][C@@H](C)c2ccccc2[O-])cc1C ZINC000877757032 1125075395 /nfs/dbraw/zinc/07/53/95/1125075395.db2.gz ASIDICSPMBZAPU-ZDUSSCGKSA-N 0 3 271.360 3.565 20 10 CHCDHN CSc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879650134 1125223348 /nfs/dbraw/zinc/22/33/48/1125223348.db2.gz KKIHHPMJGHPQDS-LBPRGKRZSA-N 0 3 273.401 3.965 20 10 CHCDHN Cc1ccc(O)c(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000130667425 1125366153 /nfs/dbraw/zinc/36/61/53/1125366153.db2.gz CZCYRQQWZGTWTL-HNAYVOBHSA-N 0 3 297.398 3.663 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)CC(F)F)c1ccccc1[O-] ZINC000883259376 1125387112 /nfs/dbraw/zinc/38/71/12/1125387112.db2.gz KSNQZBVQMWXQJX-JTQLQIEISA-N 0 3 257.324 3.724 20 10 CHCDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000237327534 1125391754 /nfs/dbraw/zinc/39/17/54/1125391754.db2.gz FIMJZIACHCYJIS-CYBMUJFWSA-N 0 3 299.374 3.512 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(C)nc2Cl)c(O)c1 ZINC000883302515 1125392672 /nfs/dbraw/zinc/39/26/72/1125392672.db2.gz ZYKTTZQDOHFOBM-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cc(O)ccc2Cl)c(O)c1 ZINC000883325656 1125396911 /nfs/dbraw/zinc/39/69/11/1125396911.db2.gz HRBSXCQRSMKKDC-LLVKDONJSA-N 0 3 291.778 3.910 20 10 CHCDHN C[C@H]([NH2+]C[C@@]1(C)OCCc2ccccc21)c1ccccc1[O-] ZINC000883339970 1125397951 /nfs/dbraw/zinc/39/79/51/1125397951.db2.gz GNGKWDHMLZGUMQ-IFXJQAMLSA-N 0 3 297.398 3.531 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(C)cc1[O-] ZINC000883357021 1125401060 /nfs/dbraw/zinc/40/10/60/1125401060.db2.gz BBTOBHYITRFXDW-GDBMZVCRSA-N 0 3 289.419 3.843 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000132751604 1125421014 /nfs/dbraw/zinc/42/10/14/1125421014.db2.gz ZMLPMQOHLDRREK-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000132751604 1125421015 /nfs/dbraw/zinc/42/10/15/1125421015.db2.gz ZMLPMQOHLDRREK-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cccc(Cl)c1)CC2 ZINC000296183026 1129220481 /nfs/dbraw/zinc/22/04/81/1129220481.db2.gz YFGLCEBBJZHQFU-CQSZACIVSA-N 0 3 273.763 3.823 20 10 CHCDHN CSC(C)(C)C[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001258347584 1129232592 /nfs/dbraw/zinc/23/25/92/1129232592.db2.gz XGYSWVBEPDCKJX-GFCCVEGCSA-N 0 3 267.438 3.744 20 10 CHCDHN CSC(C)(C)C[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001258347584 1129232595 /nfs/dbraw/zinc/23/25/95/1129232595.db2.gz XGYSWVBEPDCKJX-GFCCVEGCSA-N 0 3 267.438 3.744 20 10 CHCDHN CC(C)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccn1 ZINC000736647623 1129378960 /nfs/dbraw/zinc/37/89/60/1129378960.db2.gz KGFMYLLAGVUGIY-GOSISDBHSA-N 0 3 282.387 3.503 20 10 CHCDHN CCC[N@H+](Cc1ccc(COC)cc1)Cc1ccccc1[O-] ZINC000092704986 1129404982 /nfs/dbraw/zinc/40/49/82/1129404982.db2.gz RDAXZPWCLWPXGL-UHFFFAOYSA-N 0 3 299.414 3.951 20 10 CHCDHN CCC[N@@H+](Cc1ccc(COC)cc1)Cc1ccccc1[O-] ZINC000092704986 1129404983 /nfs/dbraw/zinc/40/49/83/1129404983.db2.gz RDAXZPWCLWPXGL-UHFFFAOYSA-N 0 3 299.414 3.951 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1[O-] ZINC000248384710 1129415919 /nfs/dbraw/zinc/41/59/19/1129415919.db2.gz FUYHNKXYKIWXAJ-JJRVBVJISA-N 0 3 291.435 3.884 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000248546883 1129421336 /nfs/dbraw/zinc/42/13/36/1129421336.db2.gz FWPZYJXBHUORFR-UNEWFSDZSA-N 0 3 277.408 3.637 20 10 CHCDHN C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc(F)ccc1[O-] ZINC000094618102 1129448271 /nfs/dbraw/zinc/44/82/71/1129448271.db2.gz JVCXYIWRSZFQGA-SNVBAGLBSA-N 0 3 295.304 3.703 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000094616761 1129448394 /nfs/dbraw/zinc/44/83/94/1129448394.db2.gz KVABRNCJWNJYGX-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000094616907 1129448442 /nfs/dbraw/zinc/44/84/42/1129448442.db2.gz WKEMXMMNQUXFMF-QWHCGFSZSA-N 0 3 273.351 3.986 20 10 CHCDHN CCOc1ccc(O)c(CNCc2c(C)cccc2F)c1 ZINC000742380386 1129473168 /nfs/dbraw/zinc/47/31/68/1129473168.db2.gz MWWRHNCLEJPIGY-UHFFFAOYSA-N 0 3 289.350 3.528 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000742378729 1129476223 /nfs/dbraw/zinc/47/62/23/1129476223.db2.gz LIXKBBCSGYQMNB-IIAWOOMASA-N 0 3 289.419 3.849 20 10 CHCDHN COC(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742381136 1129476944 /nfs/dbraw/zinc/47/69/44/1129476944.db2.gz YFLHFVWAAYQJBJ-UHFFFAOYSA-N 0 3 285.387 3.574 20 10 CHCDHN CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1(C)C ZINC000766330172 1129604358 /nfs/dbraw/zinc/60/43/58/1129604358.db2.gz BQHTZCYBIHBTJN-HFBAOOFYSA-N 0 3 295.398 3.774 20 10 CHCDHN CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1(C)C ZINC000766331757 1129604385 /nfs/dbraw/zinc/60/43/85/1129604385.db2.gz UKWXERANPLTFBU-VBNZEHGJSA-N 0 3 277.408 3.635 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2cc(C)ccc2F)c1 ZINC000828681689 1131396195 /nfs/dbraw/zinc/39/61/95/1131396195.db2.gz FRZLUEFFWKZSGU-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000381322875 1129837229 /nfs/dbraw/zinc/83/72/29/1129837229.db2.gz GLHXQOAXZUCJOW-QWRGUYRKSA-N 0 3 255.308 3.539 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000768226760 1129843685 /nfs/dbraw/zinc/84/36/85/1129843685.db2.gz CEVHSVFSBRIYCY-INIZCTEOSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000768226760 1129843690 /nfs/dbraw/zinc/84/36/90/1129843690.db2.gz CEVHSVFSBRIYCY-INIZCTEOSA-N 0 3 297.398 3.608 20 10 CHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC000768231811 1129845312 /nfs/dbraw/zinc/84/53/12/1129845312.db2.gz YXIFISRCARTMMV-UHFFFAOYSA-N 0 3 297.398 3.956 20 10 CHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC000768231811 1129845319 /nfs/dbraw/zinc/84/53/19/1129845319.db2.gz YXIFISRCARTMMV-UHFFFAOYSA-N 0 3 297.398 3.956 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2CC(C)C)c([O-])c1 ZINC000768316321 1129851968 /nfs/dbraw/zinc/85/19/68/1129851968.db2.gz CLIHFDJFPZJKRU-HNNXBMFYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2CC(C)C)c([O-])c1 ZINC000768316321 1129851975 /nfs/dbraw/zinc/85/19/75/1129851975.db2.gz CLIHFDJFPZJKRU-HNNXBMFYSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cc(CN2CC[C@@H]2c2ccccc2)c(O)cc1C ZINC000768439397 1129856771 /nfs/dbraw/zinc/85/67/71/1129856771.db2.gz LFAQBMQBQMXPTB-MRXNPFEDSA-N 0 3 283.371 3.656 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000800231362 1129856883 /nfs/dbraw/zinc/85/68/83/1129856883.db2.gz DFXPCRHYBXITCK-WMLDXEAASA-N 0 3 282.387 3.603 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000800231363 1129857296 /nfs/dbraw/zinc/85/72/96/1129857296.db2.gz DFXPCRHYBXITCK-YOEHRIQHSA-N 0 3 282.387 3.603 20 10 CHCDHN C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1[O-] ZINC000800496238 1129880633 /nfs/dbraw/zinc/88/06/33/1129880633.db2.gz UMPACILOIJIFRV-ABAIWWIYSA-N 0 3 287.790 3.864 20 10 CHCDHN COc1cccc(C[N@H+](C)CCC2CCCCC2)c1[O-] ZINC000769245461 1129898860 /nfs/dbraw/zinc/89/88/60/1129898860.db2.gz SKFMIHDXPMBLTE-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN COc1cccc(C[N@@H+](C)CCC2CCCCC2)c1[O-] ZINC000769245461 1129898864 /nfs/dbraw/zinc/89/88/64/1129898864.db2.gz SKFMIHDXPMBLTE-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c([O-])c1 ZINC000800992823 1129902756 /nfs/dbraw/zinc/90/27/56/1129902756.db2.gz TUKXXJYMZOGNIH-HNAYVOBHSA-N 0 3 299.414 3.702 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000769354020 1129904388 /nfs/dbraw/zinc/90/43/88/1129904388.db2.gz ZCVGPVKLNJTDGO-CYBMUJFWSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCc2ccccc2[C@H]1C ZINC000769354020 1129904389 /nfs/dbraw/zinc/90/43/89/1129904389.db2.gz ZCVGPVKLNJTDGO-CYBMUJFWSA-N 0 3 283.371 3.520 20 10 CHCDHN CCOc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000769403296 1129907102 /nfs/dbraw/zinc/90/71/02/1129907102.db2.gz BUHGTQJVKLJULG-CKEIUWERSA-N 0 3 289.419 3.944 20 10 CHCDHN CCOc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000769403296 1129907103 /nfs/dbraw/zinc/90/71/03/1129907103.db2.gz BUHGTQJVKLJULG-CKEIUWERSA-N 0 3 289.419 3.944 20 10 CHCDHN C[C@H]1OCCN(Cc2cc(-c3ccccc3)ccc2O)[C@H]1C ZINC000769422004 1129907311 /nfs/dbraw/zinc/90/73/11/1129907311.db2.gz DZBTYNLANJJTIA-LSDHHAIUSA-N 0 3 297.398 3.668 20 10 CHCDHN C[C@@H]1COCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769458225 1129911860 /nfs/dbraw/zinc/91/18/60/1129911860.db2.gz YXXNXEXMVILISQ-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN C[C@@H]1COCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769458225 1129911862 /nfs/dbraw/zinc/91/18/62/1129911862.db2.gz YXXNXEXMVILISQ-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769537596 1129916514 /nfs/dbraw/zinc/91/65/14/1129916514.db2.gz MSRKAEYMFXUEEJ-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769537596 1129916515 /nfs/dbraw/zinc/91/65/15/1129916515.db2.gz MSRKAEYMFXUEEJ-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000770509821 1129948665 /nfs/dbraw/zinc/94/86/65/1129948665.db2.gz ULQBFMZYIONTJU-UHFFFAOYSA-N 0 3 273.351 3.942 20 10 CHCDHN CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000770509821 1129948667 /nfs/dbraw/zinc/94/86/67/1129948667.db2.gz ULQBFMZYIONTJU-UHFFFAOYSA-N 0 3 273.351 3.942 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](OC)c1ccccc1 ZINC000801925279 1129960012 /nfs/dbraw/zinc/96/00/12/1129960012.db2.gz KSMJBOGVZHMORX-IBGZPJMESA-N 0 3 299.414 3.992 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](OC)c1ccccc1 ZINC000801925279 1129960015 /nfs/dbraw/zinc/96/00/15/1129960015.db2.gz KSMJBOGVZHMORX-IBGZPJMESA-N 0 3 299.414 3.992 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC000802302783 1129990675 /nfs/dbraw/zinc/99/06/75/1129990675.db2.gz SCPXJYJYZXHVIJ-JQFCIGGWSA-N 0 3 267.372 3.674 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000802308715 1129991660 /nfs/dbraw/zinc/99/16/60/1129991660.db2.gz HGGRSHYOFQKQMX-FZKCQIBNSA-N 0 3 291.435 3.945 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CC1CC(c2ccccc2)C1 ZINC000802659510 1130028264 /nfs/dbraw/zinc/02/82/64/1130028264.db2.gz IFKYRDDZDSGPKC-UHFFFAOYSA-N 0 3 285.362 3.815 20 10 CHCDHN Cc1ccc([C@H](C)NCc2nccc3c2CCCC3)c(O)c1 ZINC000903182601 1130126133 /nfs/dbraw/zinc/12/61/33/1130126133.db2.gz SLBHYKJDNSWGBU-AWEZNQCLSA-N 0 3 296.414 3.825 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000903285190 1130146449 /nfs/dbraw/zinc/14/64/49/1130146449.db2.gz WPAGKTCEYAUSGS-CMPLNLGQSA-N 0 3 283.412 3.856 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000903285191 1130146541 /nfs/dbraw/zinc/14/65/41/1130146541.db2.gz WPAGKTCEYAUSGS-JQWIXIFHSA-N 0 3 283.412 3.856 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000903285192 1130146640 /nfs/dbraw/zinc/14/66/40/1130146640.db2.gz WPAGKTCEYAUSGS-PWSUYJOCSA-N 0 3 283.412 3.856 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2c(C)cc(CO)cc2C)c([O-])c1 ZINC000903307783 1130149934 /nfs/dbraw/zinc/14/99/34/1130149934.db2.gz KNPGHUUCISISNP-HNNXBMFYSA-N 0 3 299.414 3.661 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)c1ccc(C)cc1[O-] ZINC000903331433 1130157949 /nfs/dbraw/zinc/15/79/49/1130157949.db2.gz NKVFDZSRPHRVEP-JSGCOSHPSA-N 0 3 265.397 3.555 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)CC2 ZINC000903427469 1130175594 /nfs/dbraw/zinc/17/55/94/1130175594.db2.gz GMCJOCAICSEJEC-MAUKXSAKSA-N 0 3 280.371 3.515 20 10 CHCDHN C[C@H]1C[C@H]1C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000788444038 1130186938 /nfs/dbraw/zinc/18/69/38/1130186938.db2.gz WOYVJIFKGLJCDY-ZFWWWQNUSA-N 0 3 271.360 3.643 20 10 CHCDHN C[C@H]1C[C@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000788444038 1130186941 /nfs/dbraw/zinc/18/69/41/1130186941.db2.gz WOYVJIFKGLJCDY-ZFWWWQNUSA-N 0 3 271.360 3.643 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCSC(C)(C)CC2)c([O-])c1 ZINC000789762934 1130275444 /nfs/dbraw/zinc/27/54/44/1130275444.db2.gz BQCIRQQVFZGPEG-UHFFFAOYSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCSC(C)(C)CC2)c([O-])c1 ZINC000789762934 1130275449 /nfs/dbraw/zinc/27/54/49/1130275449.db2.gz BQCIRQQVFZGPEG-UHFFFAOYSA-N 0 3 295.448 3.508 20 10 CHCDHN Cc1cccc(CNCc2cc(F)c(Cl)cc2F)c1O ZINC000789771055 1130275815 /nfs/dbraw/zinc/27/58/15/1130275815.db2.gz ULZDIURONLFZFM-UHFFFAOYSA-N 0 3 297.732 3.922 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000789756401 1130276619 /nfs/dbraw/zinc/27/66/19/1130276619.db2.gz DELKKGDGNIADNT-UHFFFAOYSA-N 0 3 285.362 3.853 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2ccccn2)c1[O-] ZINC000826803610 1130283312 /nfs/dbraw/zinc/28/33/12/1130283312.db2.gz PHYIMDFTFCICCA-GFCCVEGCSA-N 0 3 290.794 3.642 20 10 CHCDHN CSCC1(CC[NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000826938077 1130316584 /nfs/dbraw/zinc/31/65/84/1130316584.db2.gz YRDMMVOXLRLPCO-UHFFFAOYSA-N 0 3 299.867 3.977 20 10 CHCDHN Cc1cc(C)c(CN(C)Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001137328263 1130380879 /nfs/dbraw/zinc/38/08/79/1130380879.db2.gz YULBXXQTZIUFDC-UHFFFAOYSA-N 0 3 297.446 3.864 20 10 CHCDHN Cc1cc(O)c(CN2CC(C)(C)OC[C@@H]2C)cc1C(C)C ZINC000792722407 1130494159 /nfs/dbraw/zinc/49/41/59/1130494159.db2.gz MEXBHASARSXBGJ-AWEZNQCLSA-N 0 3 291.435 3.823 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccc(CC(C)C)cc2)c([O-])c1 ZINC000793387590 1130551728 /nfs/dbraw/zinc/55/17/28/1130551728.db2.gz IEMLPKDEUXHATB-UHFFFAOYSA-N 0 3 299.414 3.889 20 10 CHCDHN CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793386278 1130552187 /nfs/dbraw/zinc/55/21/87/1130552187.db2.gz KESAAWDLAORWHN-OCCSQVGLSA-N 0 3 265.397 3.705 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2ccc(O)cc21 ZINC000827347484 1130567838 /nfs/dbraw/zinc/56/78/38/1130567838.db2.gz QJNNVWIGIVMSTC-LJQANCHMSA-N 0 3 296.414 3.544 20 10 CHCDHN CC1(C)[C@H]([NH2+]Cc2ccccc2[O-])C[C@@H]1Oc1ccccc1 ZINC000793530149 1130572119 /nfs/dbraw/zinc/57/21/19/1130572119.db2.gz ZEXUNRJJHULZPE-MSOLQXFVSA-N 0 3 297.398 3.728 20 10 CHCDHN C[N@H+](CCc1ccc(F)cc1Cl)Cc1ccccc1[O-] ZINC000811456783 1130610142 /nfs/dbraw/zinc/61/01/42/1130610142.db2.gz FSZCFCFCFGYNSQ-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN C[N@@H+](CCc1ccc(F)cc1Cl)Cc1ccccc1[O-] ZINC000811456783 1130610146 /nfs/dbraw/zinc/61/01/46/1130610146.db2.gz FSZCFCFCFGYNSQ-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN C[N@H+](CCOc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000759707968 1130671873 /nfs/dbraw/zinc/67/18/73/1130671873.db2.gz SKWJLQYXKBXBBR-UHFFFAOYSA-N 0 3 291.778 3.556 20 10 CHCDHN C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccccc1[O-] ZINC000759707968 1130671875 /nfs/dbraw/zinc/67/18/75/1130671875.db2.gz SKWJLQYXKBXBBR-UHFFFAOYSA-N 0 3 291.778 3.556 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000780520426 1130683045 /nfs/dbraw/zinc/68/30/45/1130683045.db2.gz PEPGULUMPWCKII-RHSMWYFYSA-N 0 3 285.362 3.957 20 10 CHCDHN C[C@H]1C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H](C)O1 ZINC001234992185 1130700771 /nfs/dbraw/zinc/70/07/71/1130700771.db2.gz NTXMNLPYFHIOHD-GJZGRUSLSA-N 0 3 297.398 3.668 20 10 CHCDHN C[C@@H]1CC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235000458 1130701606 /nfs/dbraw/zinc/70/16/06/1130701606.db2.gz IJXUREGAGDMYRP-CYBMUJFWSA-N 0 3 253.345 3.653 20 10 CHCDHN C[C@@H]1CC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235000458 1130701612 /nfs/dbraw/zinc/70/16/12/1130701612.db2.gz IJXUREGAGDMYRP-CYBMUJFWSA-N 0 3 253.345 3.653 20 10 CHCDHN CCSC1(C[NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000691787635 1130717414 /nfs/dbraw/zinc/71/74/14/1130717414.db2.gz NTMOIRZSILNRPJ-ZDUSSCGKSA-N 0 3 265.422 3.719 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000781926890 1130748661 /nfs/dbraw/zinc/74/86/61/1130748661.db2.gz BIURNNFQIMLGLL-KSSFIOAISA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000781926890 1130748667 /nfs/dbraw/zinc/74/86/67/1130748667.db2.gz BIURNNFQIMLGLL-KSSFIOAISA-N 0 3 289.419 3.803 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCc2ccccc2C1 ZINC000782047956 1130753120 /nfs/dbraw/zinc/75/31/20/1130753120.db2.gz JOBXQEWDFLMWGI-OAHLLOKOSA-N 0 3 281.399 3.629 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCc2ccccc2C1 ZINC000782047956 1130753127 /nfs/dbraw/zinc/75/31/27/1130753127.db2.gz JOBXQEWDFLMWGI-OAHLLOKOSA-N 0 3 281.399 3.629 20 10 CHCDHN C[C@@H]1CCN(Cc2ccc(C(C)(C)C)cc2O)C[C@H]1F ZINC001235674616 1130766453 /nfs/dbraw/zinc/76/64/53/1130766453.db2.gz HDCHPGKEWNUVLV-IUODEOHRSA-N 0 3 279.399 3.870 20 10 CHCDHN CN(Cc1ccccn1)Cc1ccc(C(C)(C)C)cc1O ZINC001235676357 1130766803 /nfs/dbraw/zinc/76/68/03/1130766803.db2.gz RAPSDXJXFSSZJS-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC1CCC1 ZINC001235681539 1130768336 /nfs/dbraw/zinc/76/83/36/1130768336.db2.gz AMINTHQPCHZNAF-UHFFFAOYSA-N 0 3 261.409 3.922 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000695135304 1130792784 /nfs/dbraw/zinc/79/27/84/1130792784.db2.gz CFPZQVUYGIBMQC-GXSJLCMTSA-N 0 3 273.298 3.760 20 10 CHCDHN C[C@H](COc1ccccc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783505775 1130831119 /nfs/dbraw/zinc/83/11/19/1130831119.db2.gz QCMGONMUGBOLIF-ZIAGYGMSSA-N 0 3 271.360 3.510 20 10 CHCDHN C[C@H]([NH2+][C@H]1CSc2ccccc21)c1ccccc1[O-] ZINC000783513748 1130832319 /nfs/dbraw/zinc/83/23/19/1130832319.db2.gz MNPIGHDDIWBXAY-FZMZJTMJSA-N 0 3 271.385 3.890 20 10 CHCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783513861 1130833019 /nfs/dbraw/zinc/83/30/19/1130833019.db2.gz NSTXKZYXBLPDTL-CQSZACIVSA-N 0 3 284.403 3.617 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000783592154 1130841746 /nfs/dbraw/zinc/84/17/46/1130841746.db2.gz DGEMNQLAZUNGGF-UGFHNGPFSA-N 0 3 263.356 3.542 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000783592154 1130841753 /nfs/dbraw/zinc/84/17/53/1130841753.db2.gz DGEMNQLAZUNGGF-UGFHNGPFSA-N 0 3 263.356 3.542 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000814298325 1130861507 /nfs/dbraw/zinc/86/15/07/1130861507.db2.gz REQPWPGPHFGICB-QGZVFWFLSA-N 0 3 267.372 3.676 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCc3cc(N)ccc3C2)c([O-])c1 ZINC001236104764 1130865099 /nfs/dbraw/zinc/86/50/99/1130865099.db2.gz ACGPRHKVSFHSAM-UHFFFAOYSA-N 0 3 296.414 3.656 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCc3cc(N)ccc3C2)c([O-])c1 ZINC001236104764 1130865107 /nfs/dbraw/zinc/86/51/07/1130865107.db2.gz ACGPRHKVSFHSAM-UHFFFAOYSA-N 0 3 296.414 3.656 20 10 CHCDHN Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000797061044 1130957660 /nfs/dbraw/zinc/95/76/60/1130957660.db2.gz MYYQTFOUSSLXFW-SPYBWZPUSA-N 0 3 299.414 3.782 20 10 CHCDHN CCOc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)c([O-])c1 ZINC000815147839 1130966849 /nfs/dbraw/zinc/96/68/49/1130966849.db2.gz XKZDBTUSTIUALC-UHFFFAOYSA-N 0 3 277.408 3.705 20 10 CHCDHN CCOCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815560847 1130999490 /nfs/dbraw/zinc/99/94/90/1130999490.db2.gz RRUVYQJGQLNXGH-GOSISDBHSA-N 0 3 299.414 3.692 20 10 CHCDHN CCC(CC)(CCO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000815586010 1131003559 /nfs/dbraw/zinc/00/35/59/1131003559.db2.gz XMYFAXIDBDRKFY-HNNXBMFYSA-N 0 3 293.451 3.848 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c([O-])c1 ZINC001236784337 1131006007 /nfs/dbraw/zinc/00/60/07/1131006007.db2.gz UYGCCFPFUWBDIX-MRXNPFEDSA-N 0 3 265.372 3.669 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)c([O-])c1 ZINC001236784337 1131006013 /nfs/dbraw/zinc/00/60/13/1131006013.db2.gz UYGCCFPFUWBDIX-MRXNPFEDSA-N 0 3 265.372 3.669 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001236790741 1131007168 /nfs/dbraw/zinc/00/71/68/1131007168.db2.gz XSAOCLRWPDYRAX-GOSISDBHSA-N 0 3 297.398 3.608 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([O-])c1 ZINC001236790741 1131007175 /nfs/dbraw/zinc/00/71/75/1131007175.db2.gz XSAOCLRWPDYRAX-GOSISDBHSA-N 0 3 297.398 3.608 20 10 CHCDHN CCc1ccc(CN(C)Cc2ccsc2)c(O)c1 ZINC001236794416 1131008701 /nfs/dbraw/zinc/00/87/01/1131008701.db2.gz MHLHKRWQBWMDIN-UHFFFAOYSA-N 0 3 261.390 3.648 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001236808100 1131011965 /nfs/dbraw/zinc/01/19/65/1131011965.db2.gz MILJZUPAHZFALX-GFCCVEGCSA-N 0 3 299.361 3.576 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001236808100 1131011970 /nfs/dbraw/zinc/01/19/70/1131011970.db2.gz MILJZUPAHZFALX-GFCCVEGCSA-N 0 3 299.361 3.576 20 10 CHCDHN CCC[C@@H]1CCCC[N@@H+]1Cc1c(C)cc(OC)cc1[O-] ZINC001236812249 1131012934 /nfs/dbraw/zinc/01/29/34/1131012934.db2.gz BAOYVTRRASUMCQ-CQSZACIVSA-N 0 3 277.408 3.864 20 10 CHCDHN CCC[C@@H]1CCCC[N@H+]1Cc1c(C)cc(OC)cc1[O-] ZINC001236812249 1131012937 /nfs/dbraw/zinc/01/29/37/1131012937.db2.gz BAOYVTRRASUMCQ-CQSZACIVSA-N 0 3 277.408 3.864 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C(C)(C)O ZINC000815651726 1131018377 /nfs/dbraw/zinc/01/83/77/1131018377.db2.gz BIVDRHYQIRHYRX-ZWNOBZJWSA-N 0 3 285.815 3.554 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001236832642 1131019254 /nfs/dbraw/zinc/01/92/54/1131019254.db2.gz JPVYHKGZDHRKOA-LJQANCHMSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001236832642 1131019260 /nfs/dbraw/zinc/01/92/60/1131019260.db2.gz JPVYHKGZDHRKOA-LJQANCHMSA-N 0 3 297.398 3.548 20 10 CHCDHN CC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236840907 1131020961 /nfs/dbraw/zinc/02/09/61/1131020961.db2.gz SLSOKWMLDGAQFX-UHFFFAOYSA-N 0 3 255.361 3.777 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001237042043 1131037615 /nfs/dbraw/zinc/03/76/15/1131037615.db2.gz DPWWKKQNAOAYEG-WMLDXEAASA-N 0 3 289.419 3.946 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001237042043 1131037620 /nfs/dbraw/zinc/03/76/20/1131037620.db2.gz DPWWKKQNAOAYEG-WMLDXEAASA-N 0 3 289.419 3.946 20 10 CHCDHN CO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237047848 1131039676 /nfs/dbraw/zinc/03/96/76/1131039676.db2.gz AIKABYRNMCBZDY-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237047848 1131039680 /nfs/dbraw/zinc/03/96/80/1131039680.db2.gz AIKABYRNMCBZDY-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC3(CCC3)C2)c([O-])c1 ZINC001237048879 1131041410 /nfs/dbraw/zinc/04/14/10/1131041410.db2.gz JLOIMGRYAYKULO-UHFFFAOYSA-N 0 3 259.393 3.892 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC3(CCC3)C2)c([O-])c1 ZINC001237048879 1131041416 /nfs/dbraw/zinc/04/14/16/1131041416.db2.gz JLOIMGRYAYKULO-UHFFFAOYSA-N 0 3 259.393 3.892 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC001237046572 1131041663 /nfs/dbraw/zinc/04/16/63/1131041663.db2.gz UCWYONIQVHLOJI-AEFFLSMTSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC001237046572 1131041666 /nfs/dbraw/zinc/04/16/66/1131041666.db2.gz UCWYONIQVHLOJI-AEFFLSMTSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+](C)C[C@@H]2CC2(C)C)c([O-])c1 ZINC001237050132 1131041773 /nfs/dbraw/zinc/04/17/73/1131041773.db2.gz YTNFIDLPGGLUPX-HNNXBMFYSA-N 0 3 261.409 3.994 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c([O-])c1 ZINC001237050132 1131041780 /nfs/dbraw/zinc/04/17/80/1131041780.db2.gz YTNFIDLPGGLUPX-HNNXBMFYSA-N 0 3 261.409 3.994 20 10 CHCDHN CC(C)c1ccc(C[N@H+](CC2CC2)C2CC2)c([O-])c1 ZINC001237056308 1131042160 /nfs/dbraw/zinc/04/21/60/1131042160.db2.gz WZHMNZGKMGGZML-UHFFFAOYSA-N 0 3 259.393 3.890 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c([O-])c1 ZINC001237051950 1131042233 /nfs/dbraw/zinc/04/22/33/1131042233.db2.gz PNSBNGDZCXIBFF-KSSFIOAISA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c([O-])c1 ZINC001237051950 1131042238 /nfs/dbraw/zinc/04/22/38/1131042238.db2.gz PNSBNGDZCXIBFF-KSSFIOAISA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)O[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051558 1131042317 /nfs/dbraw/zinc/04/23/17/1131042317.db2.gz OBRDQWFKTPOAME-MRXNPFEDSA-N 0 3 277.408 3.515 20 10 CHCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])C1 ZINC001237051558 1131042322 /nfs/dbraw/zinc/04/23/22/1131042322.db2.gz OBRDQWFKTPOAME-MRXNPFEDSA-N 0 3 277.408 3.515 20 10 CHCDHN Cc1ncccc1CN(C)Cc1ccc(C(C)C)cc1O ZINC001237055338 1131043353 /nfs/dbraw/zinc/04/33/53/1131043353.db2.gz MJQHKODLCNEYMW-UHFFFAOYSA-N 0 3 284.403 3.851 20 10 CHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@@H]1CC1(C)C ZINC001237140985 1131058406 /nfs/dbraw/zinc/05/84/06/1131058406.db2.gz QCTZZQSNCOJWNB-LBPRGKRZSA-N 0 3 287.325 3.889 20 10 CHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@@H]1CC1(C)C ZINC001237140985 1131058408 /nfs/dbraw/zinc/05/84/08/1131058408.db2.gz QCTZZQSNCOJWNB-LBPRGKRZSA-N 0 3 287.325 3.889 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C2(CC2)C1 ZINC001237144029 1131058788 /nfs/dbraw/zinc/05/87/88/1131058788.db2.gz NTXLVPUZONHVJQ-SNVBAGLBSA-N 0 3 285.309 3.785 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C2(CC2)C1 ZINC001237144029 1131058795 /nfs/dbraw/zinc/05/87/95/1131058795.db2.gz NTXLVPUZONHVJQ-SNVBAGLBSA-N 0 3 285.309 3.785 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001237491116 1131104268 /nfs/dbraw/zinc/10/42/68/1131104268.db2.gz GVCMESGEUQLKEX-UHFFFAOYSA-N 0 3 296.414 3.550 20 10 CHCDHN COc1ccccc1C[C@H](C)[N@H+](C)Cc1c(C)cccc1[O-] ZINC001237492108 1131104914 /nfs/dbraw/zinc/10/49/14/1131104914.db2.gz OJMUWRSLEHTHIP-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c(C)cccc1[O-] ZINC001237492108 1131104917 /nfs/dbraw/zinc/10/49/17/1131104917.db2.gz OJMUWRSLEHTHIP-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC001237679729 1131126267 /nfs/dbraw/zinc/12/62/67/1131126267.db2.gz LGHYBRSJIKRUTR-STQMWFEESA-N 0 3 279.811 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC001237679729 1131126269 /nfs/dbraw/zinc/12/62/69/1131126269.db2.gz LGHYBRSJIKRUTR-STQMWFEESA-N 0 3 279.811 3.976 20 10 CHCDHN COCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC001237687914 1131128194 /nfs/dbraw/zinc/12/81/94/1131128194.db2.gz YGFBMKPHAVFYLV-OAHLLOKOSA-N 0 3 297.826 3.745 20 10 CHCDHN COCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC001237687914 1131128196 /nfs/dbraw/zinc/12/81/96/1131128196.db2.gz YGFBMKPHAVFYLV-OAHLLOKOSA-N 0 3 297.826 3.745 20 10 CHCDHN CC[N@H+](Cc1ccsc1C)Cc1ccccc1[O-] ZINC001237968248 1131157011 /nfs/dbraw/zinc/15/70/11/1131157011.db2.gz MILHUACGXQBALD-UHFFFAOYSA-N 0 3 261.390 3.784 20 10 CHCDHN CC[N@@H+](Cc1ccsc1C)Cc1ccccc1[O-] ZINC001237968248 1131157013 /nfs/dbraw/zinc/15/70/13/1131157013.db2.gz MILHUACGXQBALD-UHFFFAOYSA-N 0 3 261.390 3.784 20 10 CHCDHN c1cc(CNCc2ccc3c(c2)CCO3)cc(C2CC2)c1 ZINC000817407101 1131159062 /nfs/dbraw/zinc/15/90/62/1131159062.db2.gz CXRMCAILTMTIGR-UHFFFAOYSA-N 0 3 279.383 3.789 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CCSCC3)c([O-])c1 ZINC000817589587 1131175156 /nfs/dbraw/zinc/17/51/56/1131175156.db2.gz OQAKKOIVPSPAOI-KGLIPLIRSA-N 0 3 291.460 3.885 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccccc1[O-] ZINC000817590658 1131175359 /nfs/dbraw/zinc/17/53/59/1131175359.db2.gz ZOXZNMYCHBQCKV-CHWSQXEVSA-N 0 3 277.433 3.576 20 10 CHCDHN CC(C)C[C@H](CN)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817957541 1131191513 /nfs/dbraw/zinc/19/15/13/1131191513.db2.gz CRVAWRICIIVTHS-UKRRQHHQSA-N 0 3 286.419 3.569 20 10 CHCDHN CCCC[C@@H](CN)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817962243 1131192190 /nfs/dbraw/zinc/19/21/90/1131192190.db2.gz JUWINJSGYVBXRE-HIFRSBDPSA-N 0 3 286.419 3.714 20 10 CHCDHN CCCC[C@@H](CN)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817962245 1131193055 /nfs/dbraw/zinc/19/30/55/1131193055.db2.gz JUWINJSGYVBXRE-ZFWWWQNUSA-N 0 3 286.419 3.714 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC23CC3)c1[O-] ZINC000818355370 1131210732 /nfs/dbraw/zinc/21/07/32/1131210732.db2.gz DORZBRTWZYHRAG-SKDRFNHKSA-N 0 3 296.208 3.666 20 10 CHCDHN Oc1ccc(-c2ccccc2)cc1CN1CC[C@@H](F)C1 ZINC000824572514 1131474441 /nfs/dbraw/zinc/47/44/41/1131474441.db2.gz YUBKPTKPLNMRIC-MRXNPFEDSA-N 0 3 271.335 3.603 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](F)C1 ZINC000824572514 1131474444 /nfs/dbraw/zinc/47/44/44/1131474444.db2.gz YUBKPTKPLNMRIC-MRXNPFEDSA-N 0 3 271.335 3.603 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](F)C1 ZINC000824572514 1131474447 /nfs/dbraw/zinc/47/44/47/1131474447.db2.gz YUBKPTKPLNMRIC-MRXNPFEDSA-N 0 3 271.335 3.603 20 10 CHCDHN C[C@@H](CCCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824603146 1131476184 /nfs/dbraw/zinc/47/61/84/1131476184.db2.gz LIYLRIIHBDLYIM-HNNXBMFYSA-N 0 3 299.414 3.557 20 10 CHCDHN CN1CCCc2cc(CN3CCc4ccccc4C3)ccc21 ZINC001138354557 1131493589 /nfs/dbraw/zinc/49/35/89/1131493589.db2.gz NCPDTMQDSUPBRX-UHFFFAOYSA-N 0 3 292.426 3.627 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccccc1[O-] ZINC000825240629 1131503820 /nfs/dbraw/zinc/50/38/20/1131503820.db2.gz OTTOCHIZTJYUPN-OAHLLOKOSA-N 0 3 291.435 3.764 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000844921627 1131608213 /nfs/dbraw/zinc/60/82/13/1131608213.db2.gz QQXSGPPSTGKUPS-WBVHZDCISA-N 0 3 296.414 3.778 20 10 CHCDHN CCN(Cc1cnc(Cl)c(C)c1)Cc1ccccc1O ZINC001139546695 1131615979 /nfs/dbraw/zinc/61/59/79/1131615979.db2.gz MNWUOZLZNQBILT-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cccc2cnccc21 ZINC001140144699 1131667469 /nfs/dbraw/zinc/66/74/69/1131667469.db2.gz KLMGRYBELMHWPO-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cccc2cnccc21 ZINC001140144699 1131667471 /nfs/dbraw/zinc/66/74/71/1131667471.db2.gz KLMGRYBELMHWPO-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccc(F)c1 ZINC000834537486 1131681884 /nfs/dbraw/zinc/68/18/84/1131681884.db2.gz DQLRHDPYAOAKRL-MLGOLLRUSA-N 0 3 285.362 3.912 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccccc1[O-] ZINC000846044038 1131683799 /nfs/dbraw/zinc/68/37/99/1131683799.db2.gz NKUKJLGRTLLUSH-FNHZYXHNSA-N 0 3 299.414 3.729 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCc3ccccc31)CC2 ZINC000834578536 1131684844 /nfs/dbraw/zinc/68/48/44/1131684844.db2.gz UCXVYKPBYHLKJV-RDJZCZTQSA-N 0 3 279.383 3.699 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(c3cccc(F)c3)CC1)CC2 ZINC000834598601 1131686843 /nfs/dbraw/zinc/68/68/43/1131686843.db2.gz RGJMKLKKGPYUKT-INIZCTEOSA-N 0 3 297.373 3.840 20 10 CHCDHN COc1cccc(C[C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834646013 1131689892 /nfs/dbraw/zinc/68/98/92/1131689892.db2.gz UEMHDZJZBNLVBQ-CXAGYDPISA-N 0 3 297.398 3.609 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CC2 ZINC000834640880 1131690104 /nfs/dbraw/zinc/69/01/04/1131690104.db2.gz SAQPWIFGYPBFLC-CVEARBPZSA-N 0 3 283.346 3.796 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](c1cccnc1)C1CC1)CC2 ZINC000834693478 1131694193 /nfs/dbraw/zinc/69/41/93/1131694193.db2.gz OWSOUMZZFFBLED-QAPCUYQASA-N 0 3 280.371 3.515 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)COCC2CC2)c1[O-] ZINC000846205826 1131695814 /nfs/dbraw/zinc/69/58/14/1131695814.db2.gz UHRDEJMCPIAMKY-RYUDHWBXSA-N 0 3 297.826 3.820 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)CC2 ZINC000834722742 1131698177 /nfs/dbraw/zinc/69/81/77/1131698177.db2.gz YTZVRJQADUWPAN-HNNXBMFYSA-N 0 3 283.346 3.798 20 10 CHCDHN CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834765455 1131703726 /nfs/dbraw/zinc/70/37/26/1131703726.db2.gz MJKRQBOTBZWNRI-WDEREUQCSA-N 0 3 273.298 3.700 20 10 CHCDHN CC[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(C)cc1[O-] ZINC000834884957 1131718745 /nfs/dbraw/zinc/71/87/45/1131718745.db2.gz FMLIJMHOIMVNCE-HNNXBMFYSA-N 0 3 295.398 3.508 20 10 CHCDHN COCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCCC1 ZINC000834905835 1131728523 /nfs/dbraw/zinc/72/85/23/1131728523.db2.gz LRYLHIJRWNGRQB-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN CN(C)c1ccc(/C=C/CN(C)CCOC(C)(C)C)cc1 ZINC000835027326 1131759645 /nfs/dbraw/zinc/75/96/45/1131759645.db2.gz CQJZKHYFRVXWSH-BQYQJAHWSA-N 0 3 290.451 3.513 20 10 CHCDHN CC[N@H+](Cc1cc(F)cc(OC)c1)Cc1ccccc1[O-] ZINC001140484102 1131761056 /nfs/dbraw/zinc/76/10/56/1131761056.db2.gz JYFIKAWBZQBHHC-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[N@@H+](Cc1cc(F)cc(OC)c1)Cc1ccccc1[O-] ZINC001140484102 1131761061 /nfs/dbraw/zinc/76/10/61/1131761061.db2.gz JYFIKAWBZQBHHC-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN C[C@@H]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])O1 ZINC000835088834 1131771663 /nfs/dbraw/zinc/77/16/63/1131771663.db2.gz VIPOMLSSWNAOCV-RDTXWAMCSA-N 0 3 297.398 3.716 20 10 CHCDHN Cc1ccc(O)c(CN2Cc3cccc(C)c3C2)c1 ZINC001140617704 1131829320 /nfs/dbraw/zinc/82/93/20/1131829320.db2.gz YJBIIGAQFIANGB-UHFFFAOYSA-N 0 3 253.345 3.525 20 10 CHCDHN CCN(CC)c1ccc(CN2CCC[C@](C)(F)C2)c(O)c1 ZINC001140850082 1131945952 /nfs/dbraw/zinc/94/59/52/1131945952.db2.gz CTAZQJVHIVRVDK-KRWDZBQOSA-N 0 3 294.414 3.562 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@H](F)CC2)c(Cl)c1 ZINC001140921590 1131963820 /nfs/dbraw/zinc/96/38/20/1131963820.db2.gz IYSQFOFRHIKJOT-ZDUSSCGKSA-N 0 3 284.806 3.730 20 10 CHCDHN CN(C)c1ccc(CN2CCC(C)(C)C2)c(Cl)c1 ZINC001140924127 1131965988 /nfs/dbraw/zinc/96/59/88/1131965988.db2.gz MHLDHZXYYDALIG-UHFFFAOYSA-N 0 3 266.816 3.638 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC001140947844 1131969613 /nfs/dbraw/zinc/96/96/13/1131969613.db2.gz HXSTVLMAIBYMIT-UHFFFAOYSA-N 0 3 261.409 3.959 20 10 CHCDHN Cc1cccc(CC[N@@H+](C)Cc2ccc(C)cc2[O-])c1 ZINC001140950683 1131970105 /nfs/dbraw/zinc/97/01/05/1131970105.db2.gz CLSPOZGYLXKGEV-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN Cc1cccc(CC[N@H+](C)Cc2ccc(C)cc2[O-])c1 ZINC001140950683 1131970114 /nfs/dbraw/zinc/97/01/14/1131970114.db2.gz CLSPOZGYLXKGEV-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001140951121 1131971190 /nfs/dbraw/zinc/97/11/90/1131971190.db2.gz ZOSNWXPCVLPRJK-HOCLYGCPSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001140951121 1131971194 /nfs/dbraw/zinc/97/11/94/1131971194.db2.gz ZOSNWXPCVLPRJK-HOCLYGCPSA-N 0 3 259.393 3.855 20 10 CHCDHN CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1[O-] ZINC001140951019 1131972063 /nfs/dbraw/zinc/97/20/63/1131972063.db2.gz ULTMRPIJLQMVAQ-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1[O-] ZINC001140951019 1131972069 /nfs/dbraw/zinc/97/20/69/1131972069.db2.gz ULTMRPIJLQMVAQ-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C)cc1[O-] ZINC001140957977 1131974051 /nfs/dbraw/zinc/97/40/51/1131974051.db2.gz OSEPKPKZZMUIPX-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C)cc1[O-] ZINC001140957977 1131974055 /nfs/dbraw/zinc/97/40/55/1131974055.db2.gz OSEPKPKZZMUIPX-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141028379 1131987948 /nfs/dbraw/zinc/98/79/48/1131987948.db2.gz MPAWEMOPRATVNL-CYBMUJFWSA-N 0 3 293.407 3.564 20 10 CHCDHN CCC[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141028379 1131987950 /nfs/dbraw/zinc/98/79/50/1131987950.db2.gz MPAWEMOPRATVNL-CYBMUJFWSA-N 0 3 293.407 3.564 20 10 CHCDHN Cc1ccc([C@H](C)N[C@H](C)c2ccns2)c(O)c1 ZINC000715966743 1132000825 /nfs/dbraw/zinc/00/08/25/1132000825.db2.gz OTINCXQRUSSSBO-WDEREUQCSA-N 0 3 262.378 3.569 20 10 CHCDHN Cc1cc(C)c(C[NH2+][C@@H]2CCc3c(C)cccc3C2)c([O-])c1 ZINC001171561363 1132055172 /nfs/dbraw/zinc/05/51/72/1132055172.db2.gz YESXSCILXHSQKY-QGZVFWFLSA-N 0 3 295.426 3.965 20 10 CHCDHN Cc1cccc2c1CC[C@H]([N@H+](C)Cc1ccccc1[O-])C2 ZINC001171574870 1132062176 /nfs/dbraw/zinc/06/21/76/1132062176.db2.gz QMJIFDATIWHGSX-KRWDZBQOSA-N 0 3 281.399 3.690 20 10 CHCDHN Cc1cccc2c1CC[C@H]([N@@H+](C)Cc1ccccc1[O-])C2 ZINC001171574870 1132062183 /nfs/dbraw/zinc/06/21/83/1132062183.db2.gz QMJIFDATIWHGSX-KRWDZBQOSA-N 0 3 281.399 3.690 20 10 CHCDHN Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC001171655247 1132069218 /nfs/dbraw/zinc/06/92/18/1132069218.db2.gz HAIRGWGIHUANMW-OAHLLOKOSA-N 0 3 269.388 3.812 20 10 CHCDHN C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C[C@@H]1C ZINC001172379573 1132170958 /nfs/dbraw/zinc/17/09/58/1132170958.db2.gz ORFCPCVCZOOULJ-IPYPFGDCSA-N 0 3 259.393 3.575 20 10 CHCDHN C[C@@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C[C@@H]1C ZINC001172379573 1132170962 /nfs/dbraw/zinc/17/09/62/1132170962.db2.gz ORFCPCVCZOOULJ-IPYPFGDCSA-N 0 3 259.393 3.575 20 10 CHCDHN CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840857496 1132295661 /nfs/dbraw/zinc/29/56/61/1132295661.db2.gz MLUARALHCUGINL-MRXNPFEDSA-N 0 3 296.414 3.862 20 10 CHCDHN [O-]c1cc(O)ccc1C[NH2+]C1CCC2(CCCC2)CC1 ZINC001172726502 1132299214 /nfs/dbraw/zinc/29/92/14/1132299214.db2.gz WEZBNEZGDIXVNQ-UHFFFAOYSA-N 0 3 275.392 3.690 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001231589093 1132318308 /nfs/dbraw/zinc/31/83/08/1132318308.db2.gz CHRWLWWTUMHIBS-XJKSGUPXSA-N 0 3 253.345 3.530 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001231589093 1132318315 /nfs/dbraw/zinc/31/83/15/1132318315.db2.gz CHRWLWWTUMHIBS-XJKSGUPXSA-N 0 3 253.345 3.530 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001231586363 1132318465 /nfs/dbraw/zinc/31/84/65/1132318465.db2.gz FWOLVBZJZHIFIH-LJQANCHMSA-N 0 3 297.398 3.690 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001231586363 1132318473 /nfs/dbraw/zinc/31/84/73/1132318473.db2.gz FWOLVBZJZHIFIH-LJQANCHMSA-N 0 3 297.398 3.690 20 10 CHCDHN Cc1ccc2c(c1)C[C@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC001172835653 1132326924 /nfs/dbraw/zinc/32/69/24/1132326924.db2.gz ONGDMDLTXDGTHJ-RHSMWYFYSA-N 0 3 281.399 3.909 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@H]2COCc3ccccc32)c1 ZINC000841758353 1132394966 /nfs/dbraw/zinc/39/49/66/1132394966.db2.gz AOKMYHVAFOGHOJ-GUYCJALGSA-N 0 3 283.371 3.623 20 10 CHCDHN COc1ccccc1C1(N[C@@H]2CCc3cccc(O)c32)CC1 ZINC000842900766 1132474214 /nfs/dbraw/zinc/47/42/14/1132474214.db2.gz HMWMEBGRKGEBJI-OAHLLOKOSA-N 0 3 295.382 3.667 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)c([O-])c1 ZINC000842892781 1132474645 /nfs/dbraw/zinc/47/46/45/1132474645.db2.gz FFNPPZVBTOXSBV-CMPLNLGQSA-N 0 3 271.351 3.951 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c([O-])c1 ZINC000842922912 1132476471 /nfs/dbraw/zinc/47/64/71/1132476471.db2.gz ZEINNIVLROWQKB-MELADBBJSA-N 0 3 277.408 3.697 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(C)cc1[O-] ZINC000842929646 1132478109 /nfs/dbraw/zinc/47/81/09/1132478109.db2.gz PLRZZYMKWXPDDU-FPMFFAJLSA-N 0 3 265.422 3.635 20 10 CHCDHN Oc1cccc2c1CN(Cc1ccc3ncsc3c1)CC2 ZINC001232743349 1132514956 /nfs/dbraw/zinc/51/49/56/1132514956.db2.gz SOGZLJCRWUXFSC-UHFFFAOYSA-N 0 3 296.395 3.560 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(C)c(C)c1 ZINC001233161409 1132573758 /nfs/dbraw/zinc/57/37/58/1132573758.db2.gz AUEPGMDNUWTYPP-UHFFFAOYSA-N 0 3 297.446 3.787 20 10 CHCDHN C[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccccc1[O-] ZINC001203536200 1133338254 /nfs/dbraw/zinc/33/82/54/1133338254.db2.gz IKRWFGFEUPHERX-LBPRGKRZSA-N 0 3 296.345 3.930 20 10 CHCDHN COc1ccccc1[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001203558466 1133341076 /nfs/dbraw/zinc/34/10/76/1133341076.db2.gz IFYLIIQVFJRSOQ-ZDUSSCGKSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001203558466 1133341082 /nfs/dbraw/zinc/34/10/82/1133341082.db2.gz IFYLIIQVFJRSOQ-ZDUSSCGKSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c([O-])c1 ZINC001203629167 1133347052 /nfs/dbraw/zinc/34/70/52/1133347052.db2.gz ROVJGUMLXJRWTM-AWEZNQCLSA-N 0 3 293.382 3.505 20 10 CHCDHN CC[N@H+](Cc1cccc(C)c1)Cc1ccccc1[O-] ZINC001203892464 1133381520 /nfs/dbraw/zinc/38/15/20/1133381520.db2.gz NBBXBJPSASPIOV-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN CC[N@@H+](Cc1cccc(C)c1)Cc1ccccc1[O-] ZINC001203892464 1133381527 /nfs/dbraw/zinc/38/15/27/1133381527.db2.gz NBBXBJPSASPIOV-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN CN(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c2ccccc21 ZINC001204236976 1133422918 /nfs/dbraw/zinc/42/29/18/1133422918.db2.gz ZATNEDKKHYKRLF-JCGIZDLHSA-N 0 3 298.405 3.696 20 10 CHCDHN Cc1[nH]c2ccccc2c1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001204292721 1133430573 /nfs/dbraw/zinc/43/05/73/1133430573.db2.gz JOCNUVSWYCKYSP-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN Cc1[nH]c2ccccc2c1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001204292721 1133430577 /nfs/dbraw/zinc/43/05/77/1133430577.db2.gz JOCNUVSWYCKYSP-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN CC(C)Oc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204458206 1133449975 /nfs/dbraw/zinc/44/99/75/1133449975.db2.gz WPGMCHQKXCAYDZ-UHFFFAOYSA-N 0 3 297.398 3.738 20 10 CHCDHN CC(C)Oc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204458206 1133449976 /nfs/dbraw/zinc/44/99/76/1133449976.db2.gz WPGMCHQKXCAYDZ-UHFFFAOYSA-N 0 3 297.398 3.738 20 10 CHCDHN CCC1(c2ccccc2)C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC001206225215 1133672458 /nfs/dbraw/zinc/67/24/58/1133672458.db2.gz ZSPSJCDEVJASMF-UHFFFAOYSA-N 0 3 281.399 3.864 20 10 CHCDHN Cc1ccc2[nH]cc(C[N@@H+](C)Cc3ccccc3[O-])c2c1 ZINC001209495324 1134030036 /nfs/dbraw/zinc/03/00/36/1134030036.db2.gz RTMOGHYKMUVGMY-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN Cc1ccc2[nH]cc(C[N@H+](C)Cc3ccccc3[O-])c2c1 ZINC001209495324 1134030043 /nfs/dbraw/zinc/03/00/43/1134030043.db2.gz RTMOGHYKMUVGMY-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1cnc(Cl)cc1C ZINC001209633021 1134045727 /nfs/dbraw/zinc/04/57/27/1134045727.db2.gz FFKKYFQTEICXGH-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cnc(Cl)cc1C ZINC001209633021 1134045733 /nfs/dbraw/zinc/04/57/33/1134045733.db2.gz FFKKYFQTEICXGH-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cnc(Cl)cc1C ZINC001209633021 1134045738 /nfs/dbraw/zinc/04/57/38/1134045738.db2.gz FFKKYFQTEICXGH-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CCc1cc(Nc2cc(C(F)(F)F)ccc2O)ccn1 ZINC001209980333 1134115684 /nfs/dbraw/zinc/11/56/84/1134115684.db2.gz MWYALUIFQZLSPN-UHFFFAOYSA-N 0 3 282.265 3.534 20 10 CHCDHN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccccc1[O-] ZINC000183397823 1134655462 /nfs/dbraw/zinc/65/54/62/1134655462.db2.gz CQTHUPSFYXWGMU-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000020095287 170994678 /nfs/dbraw/zinc/99/46/78/170994678.db2.gz QBROXOABHOZPQV-ZDUSSCGKSA-N 0 3 272.367 3.743 20 10 CHCDHN COc1cccc(CN[C@@H](C)c2ccc(Cl)cc2)c1O ZINC000020121943 171001872 /nfs/dbraw/zinc/00/18/72/171001872.db2.gz RIYAQNSEIKXUBL-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1[O-] ZINC000020121943 171001873 /nfs/dbraw/zinc/00/18/73/171001873.db2.gz RIYAQNSEIKXUBL-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN Cc1ccc([O-])c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1cccnc1 ZINC000020127809 171013841 /nfs/dbraw/zinc/01/38/41/171013841.db2.gz CURACHQIEXDXDQ-VNHYZAJKSA-N 0 3 282.387 3.995 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000020137300 171024855 /nfs/dbraw/zinc/02/48/55/171024855.db2.gz MEQXPZUOCXBGOY-UONOGXRCSA-N 0 3 285.387 3.855 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000020146032 171031920 /nfs/dbraw/zinc/03/19/20/171031920.db2.gz NAGVPFLPHBOMSF-OAHLLOKOSA-N 0 3 268.404 3.912 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1ccccc1[O-] ZINC000020200855 171064714 /nfs/dbraw/zinc/06/47/14/171064714.db2.gz ICJJXKUDPNNBEQ-SJORKVTESA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCCC1)c1ccccc1[O-] ZINC000020200861 171064931 /nfs/dbraw/zinc/06/49/31/171064931.db2.gz ICJJXKUDPNNBEQ-DLBZAZTESA-N 0 3 290.451 3.553 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000020209785 171073256 /nfs/dbraw/zinc/07/32/56/171073256.db2.gz SKDXRCNRHCHLMH-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(Cl)cc2)c1 ZINC000020209785 171073257 /nfs/dbraw/zinc/07/32/57/171073257.db2.gz SKDXRCNRHCHLMH-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])c1ccccc1 ZINC000071409101 176156646 /nfs/dbraw/zinc/15/66/46/176156646.db2.gz FMERCNGCENDTDP-INIZCTEOSA-N 0 3 255.361 3.942 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2cccc(O)c2)cc1 ZINC000154404999 261090974 /nfs/dbraw/zinc/09/09/74/261090974.db2.gz AWWXITNQTGOBHA-AWEZNQCLSA-N 0 3 284.403 3.699 20 10 CHCDHN CC[C@@H](NCc1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC000154422760 261091558 /nfs/dbraw/zinc/09/15/58/261091558.db2.gz ZVNKDTOZROEVDB-GOSISDBHSA-N 0 3 284.403 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC(CC)(CC)CCO)c1ccccc1[O-] ZINC000156159790 261115145 /nfs/dbraw/zinc/11/51/45/261115145.db2.gz KULRGVQVBUSKTR-OAHLLOKOSA-N 0 3 279.424 3.622 20 10 CHCDHN CCc1noc(CC)c1C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000156306227 261120230 /nfs/dbraw/zinc/12/02/30/261120230.db2.gz LWUBGRFDRABNOP-CQSZACIVSA-N 0 3 288.391 3.746 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)C[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000156413825 261123095 /nfs/dbraw/zinc/12/30/95/261123095.db2.gz PZTRCASRBPAFSQ-YJLNNSPDSA-N 0 3 299.414 3.945 20 10 CHCDHN Cc1cc(O)c(CN(C)[C@H](C)c2cccnc2)cc1C ZINC000183718278 261986484 /nfs/dbraw/zinc/98/64/84/261986484.db2.gz XZCNTVCGXXUZGQ-CQSZACIVSA-N 0 3 270.376 3.597 20 10 CHCDHN Cc1cncc([C@H](C)NCc2ccc(N3CCCC3)cc2)c1 ZINC000184276596 262014815 /nfs/dbraw/zinc/01/48/15/262014815.db2.gz NNPHZWPABIWWRL-INIZCTEOSA-N 0 3 295.430 3.841 20 10 CHCDHN C[C@H](NCc1cccnc1)c1cc2c(cc1O)CCCC2 ZINC000184837076 262030882 /nfs/dbraw/zinc/03/08/82/262030882.db2.gz ANGYZZSEKUAXEM-ZDUSSCGKSA-N 0 3 282.387 3.517 20 10 CHCDHN C[C@H]([NH2+]Cc1cccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000184837076 262030883 /nfs/dbraw/zinc/03/08/83/262030883.db2.gz ANGYZZSEKUAXEM-ZDUSSCGKSA-N 0 3 282.387 3.517 20 10 CHCDHN CO[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1[O-])c1ccccc1 ZINC000185101670 262041251 /nfs/dbraw/zinc/04/12/51/262041251.db2.gz KHZNLPPSRRRSCI-KDOFPFPSSA-N 0 3 285.387 3.739 20 10 CHCDHN COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])ccc1C ZINC000185193481 262045288 /nfs/dbraw/zinc/04/52/88/262045288.db2.gz CBANVZDPLCLUNK-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000185351569 262051937 /nfs/dbraw/zinc/05/19/37/262051937.db2.gz OLWNIBXIKYWFBI-ZIAGYGMSSA-N 0 3 285.387 3.688 20 10 CHCDHN Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185501281 262056704 /nfs/dbraw/zinc/05/67/04/262056704.db2.gz YVHMUEKIMIWALI-VXGBXAGGSA-N 0 3 288.391 3.587 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000186129067 262080729 /nfs/dbraw/zinc/08/07/29/262080729.db2.gz FTQATLPYURFWKM-HUUCEWRRSA-N 0 3 289.419 3.843 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000186129723 262081297 /nfs/dbraw/zinc/08/12/97/262081297.db2.gz YJIVNXFTHZRFDI-LSDHHAIUSA-N 0 3 289.419 3.843 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000186155254 262081690 /nfs/dbraw/zinc/08/16/90/262081690.db2.gz JHWCCNIMYBBJFA-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000282071841 263074163 /nfs/dbraw/zinc/07/41/63/263074163.db2.gz QPKJLBSNKWYQQH-LBPRGKRZSA-N 0 3 299.361 3.706 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])c1ccncc1 ZINC000185540878 327840485 /nfs/dbraw/zinc/84/04/85/327840485.db2.gz WDFDXUUCWFLESV-BBRMVZONSA-N 0 3 270.376 3.898 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000280743574 328236297 /nfs/dbraw/zinc/23/62/97/328236297.db2.gz XCWZCJLRIRLVMI-HDJSIYSDSA-N 0 3 271.335 3.567 20 10 CHCDHN COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000378629400 329057180 /nfs/dbraw/zinc/05/71/80/329057180.db2.gz DJZVSASDSGFIDJ-WBMJQRKESA-N 0 3 299.370 3.575 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)c1[O-] ZINC000527925534 330296442 /nfs/dbraw/zinc/29/64/42/330296442.db2.gz MLGQMLYJFKPDKF-OLZOCXBDSA-N 0 3 297.826 3.821 20 10 CHCDHN C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000527969833 330301575 /nfs/dbraw/zinc/30/15/75/330301575.db2.gz RUWQXENOIGXSBL-UGSOOPFHSA-N 0 3 282.387 3.979 20 10 CHCDHN CC[C@@H]([NH2+]CCCc1nccs1)c1ccccc1[O-] ZINC000274967219 334785983 /nfs/dbraw/zinc/78/59/83/334785983.db2.gz XMRCGALYKJNTDE-CYBMUJFWSA-N 0 3 276.405 3.522 20 10 CHCDHN CCC[C@H](CCO)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280224673 521094912 /nfs/dbraw/zinc/09/49/12/521094912.db2.gz UYVYKWDNNNPRMT-ZBFHGGJFSA-N 0 3 279.424 3.540 20 10 CHCDHN CCOc1ccc([O-])c(C[N@H+](C)C2CCC(F)(F)CC2)c1 ZINC000290262285 521141139 /nfs/dbraw/zinc/14/11/39/521141139.db2.gz WUOKCAXMEVGTDX-UHFFFAOYSA-N 0 3 299.361 3.801 20 10 CHCDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CCC(F)(F)CC2)c1 ZINC000290262285 521141151 /nfs/dbraw/zinc/14/11/51/521141151.db2.gz WUOKCAXMEVGTDX-UHFFFAOYSA-N 0 3 299.361 3.801 20 10 CHCDHN CCOc1ccc(O)c(CN(C)[C@@H](C)c2ccco2)c1 ZINC000131125370 521144315 /nfs/dbraw/zinc/14/43/15/521144315.db2.gz KFYFXAUVSBQIAW-LBPRGKRZSA-N 0 3 275.348 3.577 20 10 CHCDHN CCC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000279999928 521175454 /nfs/dbraw/zinc/17/54/54/521175454.db2.gz FXIVTEMKRQUFPM-LJHODMEESA-N 0 3 299.414 3.945 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617617 521372186 /nfs/dbraw/zinc/37/21/86/521372186.db2.gz YAZKKVJERGBGNC-LBPRGKRZSA-N 0 3 289.350 3.781 20 10 CHCDHN CCCc1nc(C)c(CN[C@@H](C)c2ccc(C)cc2O)o1 ZINC000293276061 521498421 /nfs/dbraw/zinc/49/84/21/521498421.db2.gz CPJZUDLYWUNRLG-LBPRGKRZSA-N 0 3 288.391 3.800 20 10 CHCDHN CCOC(CC[NH2+][C@H](CC)c1ccc(C)cc1[O-])OCC ZINC000279932905 521629707 /nfs/dbraw/zinc/62/97/07/521629707.db2.gz ATTIUQZOHMNDBC-OAHLLOKOSA-N 0 3 295.423 3.531 20 10 CHCDHN CCSCC[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297909352 521713878 /nfs/dbraw/zinc/71/38/78/521713878.db2.gz WPELOYYUNPNNMW-DGCLKSJQSA-N 0 3 265.422 3.501 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000280288068 522599420 /nfs/dbraw/zinc/59/94/20/522599420.db2.gz ZATOHAIZAJOIRU-ZOBUZTSGSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000280159013 522648154 /nfs/dbraw/zinc/64/81/54/522648154.db2.gz QQLRWPMSYYNFDQ-KRWDZBQOSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280276149 522692968 /nfs/dbraw/zinc/69/29/68/522692968.db2.gz YFHPSYOGWGQRQU-QRTARXTBSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(C)cc1[O-] ZINC000280241345 522727535 /nfs/dbraw/zinc/72/75/35/522727535.db2.gz VZZWYIJTPPGMRU-XJNFMUPTSA-N 0 3 289.419 3.555 20 10 CHCDHN CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(C)cc1[O-] ZINC000280235628 522808158 /nfs/dbraw/zinc/80/81/58/522808158.db2.gz VOTKALGEXANAQA-GFCCVEGCSA-N 0 3 255.308 3.539 20 10 CHCDHN CO[C@@H](C[NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000266174631 523537280 /nfs/dbraw/zinc/53/72/80/523537280.db2.gz SLLYNHSUTOEVPZ-INIZCTEOSA-N 0 3 291.778 3.523 20 10 CHCDHN Cc1cccc(C[N@@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000290222481 524376451 /nfs/dbraw/zinc/37/64/51/524376451.db2.gz RVLCFFUYJTWKCK-UHFFFAOYSA-N 0 3 269.335 3.710 20 10 CHCDHN Cc1cccc(C[N@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000290222481 524376454 /nfs/dbraw/zinc/37/64/54/524376454.db2.gz RVLCFFUYJTWKCK-UHFFFAOYSA-N 0 3 269.335 3.710 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000071407915 525355681 /nfs/dbraw/zinc/35/56/81/525355681.db2.gz WMPYGTADAPGMGI-STQMWFEESA-N 0 3 287.325 3.911 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C)c([O-])c1 ZINC000037718943 525733764 /nfs/dbraw/zinc/73/37/64/525733764.db2.gz BEIWNBGOGDYSRP-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000263717965 526337440 /nfs/dbraw/zinc/33/74/40/526337440.db2.gz VOKGZEMVFJKBAP-HNNXBMFYSA-N 0 3 297.398 3.575 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000037128026 526373912 /nfs/dbraw/zinc/37/39/12/526373912.db2.gz FILHRTJBUYWXPE-CQSZACIVSA-N 0 3 271.385 3.719 20 10 CHCDHN CC[C@@H]([NH2+]CC1(SC)CCC1)c1ccccc1[O-] ZINC000193805270 1120581899 /nfs/dbraw/zinc/58/18/99/1120581899.db2.gz UTQYUQLBQDJKLN-CYBMUJFWSA-N 0 3 265.422 3.719 20 10 CHCDHN CC[N@H+](Cc1cc(C)cs1)Cc1ccccc1[O-] ZINC001137158008 1125287583 /nfs/dbraw/zinc/28/75/83/1125287583.db2.gz ACLHQJHHGYFBNB-UHFFFAOYSA-N 0 3 261.390 3.784 20 10 CHCDHN CC[N@@H+](Cc1cc(C)cs1)Cc1ccccc1[O-] ZINC001137158008 1125287588 /nfs/dbraw/zinc/28/75/88/1125287588.db2.gz ACLHQJHHGYFBNB-UHFFFAOYSA-N 0 3 261.390 3.784 20 10 CHCDHN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)cs1 ZINC001248804188 1132118968 /nfs/dbraw/zinc/11/89/68/1132118968.db2.gz QSKUTARHSUKJJR-UHFFFAOYSA-N 0 3 274.433 3.755 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN1CC(C)(CC(F)F)C1 ZINC000843424800 1132533112 /nfs/dbraw/zinc/53/31/12/1132533112.db2.gz KEYYRVYIMNRGOF-UHFFFAOYSA-N 0 3 282.378 3.538 20 10 CHCDHN COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000134230736 1125543957 /nfs/dbraw/zinc/54/39/57/1125543957.db2.gz CPEGTZYRARTYBP-CQSZACIVSA-N 0 3 285.387 3.512 20 10 CHCDHN Cc1ccc2nc(CN(C)Cc3ccccc3O)ccc2c1 ZINC001137217289 1125599756 /nfs/dbraw/zinc/59/97/56/1125599756.db2.gz RNVOGDDXIDZBAP-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccc2nc(C[N@@H+](C)Cc3ccccc3[O-])ccc2c1 ZINC001137217289 1125599761 /nfs/dbraw/zinc/59/97/61/1125599761.db2.gz RNVOGDDXIDZBAP-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccc2nc(C[N@H+](C)Cc3ccccc3[O-])ccc2c1 ZINC001137217289 1125599765 /nfs/dbraw/zinc/59/97/65/1125599765.db2.gz RNVOGDDXIDZBAP-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Oc1cccc2c1[C@H](NCc1cscc1Cl)CC2 ZINC000886657837 1125703372 /nfs/dbraw/zinc/70/33/72/1125703372.db2.gz FVWNUGAXXCZVMV-GFCCVEGCSA-N 0 3 279.792 3.884 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000300415979 1125719972 /nfs/dbraw/zinc/71/99/72/1125719972.db2.gz AWPDXFIRAFBXBC-SWLSCSKDSA-N 0 3 263.356 3.686 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000300415979 1125719977 /nfs/dbraw/zinc/71/99/77/1125719977.db2.gz AWPDXFIRAFBXBC-SWLSCSKDSA-N 0 3 263.356 3.686 20 10 CHCDHN COc1ccc([C@@H](C)NCc2ccc(OC)c(C)c2)cc1 ZINC000088218642 1129200039 /nfs/dbraw/zinc/20/00/39/1129200039.db2.gz ONXSAULWLBCOAS-CQSZACIVSA-N 0 3 285.387 3.863 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccccc1[O-] ZINC000903285405 1130146953 /nfs/dbraw/zinc/14/69/53/1130146953.db2.gz ZILPDGBUEHMVCV-VXGBXAGGSA-N 0 3 265.422 3.717 20 10 CHCDHN CN(C)c1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000302741692 1126740818 /nfs/dbraw/zinc/74/08/18/1126740818.db2.gz QSFHACIYCLTDHF-UHFFFAOYSA-N 0 3 272.367 3.524 20 10 CHCDHN C[C@@H](NCc1cccnc1)c1ccc(N2CCCCC2)cc1 ZINC000151099438 1126750457 /nfs/dbraw/zinc/75/04/57/1126750457.db2.gz GQRWYARACBTFJC-MRXNPFEDSA-N 0 3 295.430 3.923 20 10 CHCDHN CC[C@@H](NCc1ccoc1)c1ccc(N(C)C)cc1 ZINC000178475628 1126814612 /nfs/dbraw/zinc/81/46/12/1126814612.db2.gz OJUCYSYRKNRJAN-MRXNPFEDSA-N 0 3 258.365 3.587 20 10 CHCDHN CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccccc2[O-])s1 ZINC000179579021 1126831205 /nfs/dbraw/zinc/83/12/05/1126831205.db2.gz ZPWFWTKPFRQMPP-GFCCVEGCSA-N 0 3 290.432 3.913 20 10 CHCDHN CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccccc2[O-])s1 ZINC000179579021 1126831207 /nfs/dbraw/zinc/83/12/07/1126831207.db2.gz ZPWFWTKPFRQMPP-GFCCVEGCSA-N 0 3 290.432 3.913 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000183475579 1126887639 /nfs/dbraw/zinc/88/76/39/1126887639.db2.gz FVTLYRJLIXAYPS-CZUORRHYSA-N 0 3 283.371 3.957 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCC1 ZINC000183618949 1126889274 /nfs/dbraw/zinc/88/92/74/1126889274.db2.gz VMXILMKYMFPCNH-AWEZNQCLSA-N 0 3 277.408 3.640 20 10 CHCDHN COc1cc(C)cc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183626253 1126889308 /nfs/dbraw/zinc/88/93/08/1126889308.db2.gz PWNFHSKSNOFJAT-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN C[C@H](NC1(c2ccccc2F)CC1)c1ccccc1O ZINC000183660970 1126890112 /nfs/dbraw/zinc/89/01/12/1126890112.db2.gz CMAPTBVBYUDBKH-LBPRGKRZSA-N 0 3 271.335 3.871 20 10 CHCDHN COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185564776 1126900565 /nfs/dbraw/zinc/90/05/65/1126900565.db2.gz BTCXRNYNKLCSOK-CHWSQXEVSA-N 0 3 265.397 3.555 20 10 CHCDHN COc1ccc(F)cc1CN[C@@H](C)c1ccc(C)cc1O ZINC000187596937 1126912073 /nfs/dbraw/zinc/91/20/73/1126912073.db2.gz BIQNXPJNHNYTAJ-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN CCC[N@H+](Cc1cncc(C)c1)Cc1ccccc1[O-] ZINC000189908189 1126935730 /nfs/dbraw/zinc/93/57/30/1126935730.db2.gz SCXGYBMXCHOXPK-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1cncc(C)c1)Cc1ccccc1[O-] ZINC000189908189 1126935734 /nfs/dbraw/zinc/93/57/34/1126935734.db2.gz SCXGYBMXCHOXPK-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN COC[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271154576 1127070602 /nfs/dbraw/zinc/07/06/02/1127070602.db2.gz CLUVRJSJXMCSOG-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN COC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271154576 1127070604 /nfs/dbraw/zinc/07/06/04/1127070604.db2.gz CLUVRJSJXMCSOG-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN COC[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271154579 1127071398 /nfs/dbraw/zinc/07/13/98/1127071398.db2.gz CLUVRJSJXMCSOG-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN COC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000271154579 1127071399 /nfs/dbraw/zinc/07/13/99/1127071399.db2.gz CLUVRJSJXMCSOG-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN COCCC(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285462797 1127230368 /nfs/dbraw/zinc/23/03/68/1127230368.db2.gz ZZPAEEPIMQKFGQ-CQSZACIVSA-N 0 3 279.424 3.722 20 10 CHCDHN COC[C@H](NCc1ccccc1O)c1cccc(Cl)c1 ZINC000288570703 1127347987 /nfs/dbraw/zinc/34/79/87/1127347987.db2.gz NAYZACXIVROLTC-HNNXBMFYSA-N 0 3 291.778 3.523 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1[O-] ZINC000157881558 1127401094 /nfs/dbraw/zinc/40/10/94/1127401094.db2.gz OATQJUNYPQJBKZ-ZFWWWQNUSA-N 0 3 277.408 3.779 20 10 CHCDHN CCc1noc(C)c1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000293835229 1127523774 /nfs/dbraw/zinc/52/37/74/1127523774.db2.gz XJWORSYINMPQFR-GFCCVEGCSA-N 0 3 288.391 3.719 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2C)c1[O-] ZINC000228669739 1127582662 /nfs/dbraw/zinc/58/26/62/1127582662.db2.gz GCLKTHRNRQOHNM-GWCFXTLKSA-N 0 3 283.799 3.723 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccccc1[O-] ZINC000362488599 1127638996 /nfs/dbraw/zinc/63/89/96/1127638996.db2.gz RVMJOJRSDLWNFO-IEBWSBKVSA-N 0 3 297.398 3.747 20 10 CHCDHN CCCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296179934 1127664600 /nfs/dbraw/zinc/66/46/00/1127664600.db2.gz YCKKOGXNESKNFQ-QGZVFWFLSA-N 0 3 297.398 3.958 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)c2ccccc2O1 ZINC000296658045 1127681064 /nfs/dbraw/zinc/68/10/64/1127681064.db2.gz ZMMHMXLNFWCFPT-UHOFOFEASA-N 0 3 295.382 3.881 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cc(F)ccc1[O-] ZINC000297397447 1127695163 /nfs/dbraw/zinc/69/51/63/1127695163.db2.gz SGIOGEVEGWKLAQ-GFCCVEGCSA-N 0 3 288.366 3.555 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@H]2C)c1[O-] ZINC000230659109 1127771523 /nfs/dbraw/zinc/77/15/23/1127771523.db2.gz KPIBWMDBRLKETC-GHMZBOCLSA-N 0 3 283.799 3.580 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000230929810 1127784703 /nfs/dbraw/zinc/78/47/03/1127784703.db2.gz SKMCTMWNNIIWDB-RISCZKNCSA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000230929810 1127784705 /nfs/dbraw/zinc/78/47/05/1127784705.db2.gz SKMCTMWNNIIWDB-RISCZKNCSA-N 0 3 295.810 3.819 20 10 CHCDHN CCc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000312843477 1128093892 /nfs/dbraw/zinc/09/38/92/1128093892.db2.gz PIPXMSCTTJTAOY-MRXNPFEDSA-N 0 3 267.372 3.732 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)CC2 ZINC000297211822 1129225276 /nfs/dbraw/zinc/22/52/76/1129225276.db2.gz GRNLYSRGFRLSDI-STQMWFEESA-N 0 3 281.346 3.795 20 10 CHCDHN Cc1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000926954264 1128205969 /nfs/dbraw/zinc/20/59/69/1128205969.db2.gz IXGKTIHVRKSMKF-OAHLLOKOSA-N 0 3 283.419 3.615 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1ccccc1[O-] ZINC000927016791 1128208370 /nfs/dbraw/zinc/20/83/70/1128208370.db2.gz KZRQOFWMIKXVLQ-KBPBESRZSA-N 0 3 275.392 3.535 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c([O-])c1 ZINC000927069476 1128215574 /nfs/dbraw/zinc/21/55/74/1128215574.db2.gz MZIWWHFHWUWBIW-JOQOYGCGSA-N 0 3 289.419 3.556 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000927069898 1128215813 /nfs/dbraw/zinc/21/58/13/1128215813.db2.gz ODOTZMVWJSCACP-HFTRVMKXSA-N 0 3 289.419 3.638 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC3(CCC3)O2)c([O-])c1 ZINC000927128864 1128220642 /nfs/dbraw/zinc/22/06/42/1128220642.db2.gz MZUZQGZIZDTFIB-HUUCEWRRSA-N 0 3 289.419 3.843 20 10 CHCDHN CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccccc1[O-] ZINC000777824833 1128288237 /nfs/dbraw/zinc/28/82/37/1128288237.db2.gz HNARFBUSBHDNGF-INIZCTEOSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccccc1[O-] ZINC000777824833 1128288240 /nfs/dbraw/zinc/28/82/40/1128288240.db2.gz HNARFBUSBHDNGF-INIZCTEOSA-N 0 3 285.387 3.984 20 10 CHCDHN CSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000282129111 1128376008 /nfs/dbraw/zinc/37/60/08/1128376008.db2.gz VKRPNNZUZHWYFC-GFCCVEGCSA-N 0 3 273.401 3.965 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C(C)C)C2CC2)c1[O-] ZINC000324570093 1128387311 /nfs/dbraw/zinc/38/73/11/1128387311.db2.gz VAEYBPIZIWWYOF-CQSZACIVSA-N 0 3 283.799 3.578 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C4CC4)C3)c2c1 ZINC000763330283 1128392213 /nfs/dbraw/zinc/39/22/13/1128392213.db2.gz CGFXEVZJZVTYEO-OAHLLOKOSA-N 0 3 297.398 3.786 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C4CC4)C3)c2c1 ZINC000763330283 1128392217 /nfs/dbraw/zinc/39/22/17/1128392217.db2.gz CGFXEVZJZVTYEO-OAHLLOKOSA-N 0 3 297.398 3.786 20 10 CHCDHN CCC[N@H+](Cc1ccc(C)nc1)Cc1ccccc1[O-] ZINC000153810463 1128402993 /nfs/dbraw/zinc/40/29/93/1128402993.db2.gz LIBWBWRDIHVCGX-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1ccc(C)nc1)Cc1ccccc1[O-] ZINC000153810463 1128402996 /nfs/dbraw/zinc/40/29/96/1128402996.db2.gz LIBWBWRDIHVCGX-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCCC[C@@H](COC)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000155902454 1128618578 /nfs/dbraw/zinc/61/85/78/1128618578.db2.gz QGRVAMHXXVSULJ-DZGCQCFKSA-N 0 3 265.397 3.638 20 10 CHCDHN COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])cc1 ZINC000155171534 1128661488 /nfs/dbraw/zinc/66/14/88/1128661488.db2.gz QBJVTNAYXWFHGA-KRWDZBQOSA-N 0 3 283.371 3.738 20 10 CHCDHN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2[O-])cc1 ZINC000155171534 1128661491 /nfs/dbraw/zinc/66/14/91/1128661491.db2.gz QBJVTNAYXWFHGA-KRWDZBQOSA-N 0 3 283.371 3.738 20 10 CHCDHN C[C@H]1c2ccsc2CCN1Cc1ccc(N(C)C)cc1 ZINC000920257179 1128674929 /nfs/dbraw/zinc/67/49/29/1128674929.db2.gz ICTZFCQICHDXMW-ZDUSSCGKSA-N 0 3 286.444 3.933 20 10 CHCDHN Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000779010496 1128676994 /nfs/dbraw/zinc/67/69/94/1128676994.db2.gz WWWZBHDMNPNSHP-SFHVURJKSA-N 0 3 281.399 3.908 20 10 CHCDHN Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000779010496 1128676995 /nfs/dbraw/zinc/67/69/95/1128676995.db2.gz WWWZBHDMNPNSHP-SFHVURJKSA-N 0 3 281.399 3.908 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC=CC2)c1[O-] ZINC000779026838 1128688885 /nfs/dbraw/zinc/68/88/85/1128688885.db2.gz GQKOFKQISRHRBQ-SNVBAGLBSA-N 0 3 296.208 3.832 20 10 CHCDHN COc1ccc([C@H]([NH2+]Cc2ccccc2[O-])C2CC2)cc1 ZINC000134225762 1128706050 /nfs/dbraw/zinc/70/60/50/1128706050.db2.gz YDMCFWNBUQBXFE-GOSISDBHSA-N 0 3 283.371 3.642 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCNc2ccccc2)c([O-])c1 ZINC000185489510 1117827748 /nfs/dbraw/zinc/82/77/48/1117827748.db2.gz AUQTWDZVZXLAOQ-OAHLLOKOSA-N 0 3 284.403 3.853 20 10 CHCDHN CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185494670 1117829655 /nfs/dbraw/zinc/82/96/55/1117829655.db2.gz ZYCGQRNFRUQWIF-KGLIPLIRSA-N 0 3 265.397 3.556 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C12CCC2 ZINC000185551616 1117844964 /nfs/dbraw/zinc/84/49/64/1117844964.db2.gz DQXOMZZTRKUNTH-RRQGHBQHSA-N 0 3 289.419 3.699 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c([O-])c1 ZINC000185829216 1117913874 /nfs/dbraw/zinc/91/38/74/1117913874.db2.gz ADJGUEVBYKQSQR-PBHICJAKSA-N 0 3 291.435 3.683 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2)c([O-])c1 ZINC000186041090 1117974914 /nfs/dbraw/zinc/97/49/14/1117974914.db2.gz JJJJHWJPLZTNNC-GJZGRUSLSA-N 0 3 285.387 3.819 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000179575801 1128747840 /nfs/dbraw/zinc/74/78/40/1128747840.db2.gz MTJPDPXSBOJCMI-QGZVFWFLSA-N 0 3 257.377 3.715 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000179575801 1128747842 /nfs/dbraw/zinc/74/78/42/1128747842.db2.gz MTJPDPXSBOJCMI-QGZVFWFLSA-N 0 3 257.377 3.715 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H](c2ccco2)C1 ZINC000179582876 1128748573 /nfs/dbraw/zinc/74/85/73/1128748573.db2.gz OCOGKZNCGYAXLV-HIFRSBDPSA-N 0 3 271.360 3.958 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H](c2ccco2)C1 ZINC000179582876 1128748577 /nfs/dbraw/zinc/74/85/77/1128748577.db2.gz OCOGKZNCGYAXLV-HIFRSBDPSA-N 0 3 271.360 3.958 20 10 CHCDHN COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000037771113 1118038074 /nfs/dbraw/zinc/03/80/74/1118038074.db2.gz OAOKAGQRUFATSS-CHWSQXEVSA-N 0 3 271.360 3.813 20 10 CHCDHN COCCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179646626 1128752498 /nfs/dbraw/zinc/75/24/98/1128752498.db2.gz DSALDWSMZQOSCQ-MRXNPFEDSA-N 0 3 299.414 3.992 20 10 CHCDHN COCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179646626 1128752500 /nfs/dbraw/zinc/75/25/00/1128752500.db2.gz DSALDWSMZQOSCQ-MRXNPFEDSA-N 0 3 299.414 3.992 20 10 CHCDHN COc1ccccc1CN(Cc1cccc(C)c1O)C1CC1 ZINC000179679387 1128754077 /nfs/dbraw/zinc/75/40/77/1128754077.db2.gz YTEYLIFZOXYBOY-UHFFFAOYSA-N 0 3 297.398 3.874 20 10 CHCDHN CC[C@@H](NCc1ccoc1C)c1ccc(N(C)C)cc1 ZINC000765395292 1118148118 /nfs/dbraw/zinc/14/81/18/1118148118.db2.gz GMKLODPUQOYGRK-QGZVFWFLSA-N 0 3 272.392 3.895 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000179887057 1128765347 /nfs/dbraw/zinc/76/53/47/1128765347.db2.gz KLOPKZSBIYJIAC-ZDUSSCGKSA-N 0 3 277.364 3.930 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000179887057 1128765351 /nfs/dbraw/zinc/76/53/51/1128765351.db2.gz KLOPKZSBIYJIAC-ZDUSSCGKSA-N 0 3 277.364 3.930 20 10 CHCDHN Fc1ccc(CNCc2ccc3c(c2)CCCO3)cc1F ZINC000921597448 1118204065 /nfs/dbraw/zinc/20/40/65/1118204065.db2.gz ZOUAXNCHIXRICU-UHFFFAOYSA-N 0 3 289.325 3.580 20 10 CHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@H](C)c1cccc(O)c1 ZINC000179942740 1128767383 /nfs/dbraw/zinc/76/73/83/1128767383.db2.gz SBZHNAUZWJSCRY-GFCCVEGCSA-N 0 3 289.350 3.820 20 10 CHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H](C)c1cccc(O)c1 ZINC000179942740 1128767385 /nfs/dbraw/zinc/76/73/85/1128767385.db2.gz SBZHNAUZWJSCRY-GFCCVEGCSA-N 0 3 289.350 3.820 20 10 CHCDHN CCC[N@@H+](Cc1cc(F)ccc1[O-])Cc1ccccc1O ZINC000180015990 1128772874 /nfs/dbraw/zinc/77/28/74/1128772874.db2.gz HZSYYVJTEPATRM-UHFFFAOYSA-N 0 3 289.350 3.649 20 10 CHCDHN CCC[N@H+](Cc1cc(F)ccc1[O-])Cc1ccccc1O ZINC000180015990 1128772877 /nfs/dbraw/zinc/77/28/77/1128772877.db2.gz HZSYYVJTEPATRM-UHFFFAOYSA-N 0 3 289.350 3.649 20 10 CHCDHN COc1ccc(CNCc2cccc(Cl)c2)cc1C ZINC000049943182 1118381516 /nfs/dbraw/zinc/38/15/16/1118381516.db2.gz DZUVMQNKLCZAEG-UHFFFAOYSA-N 0 3 275.779 3.947 20 10 CHCDHN Cc1cccc(C[NH2+]CC(C)(C)CC(F)(F)F)c1[O-] ZINC000827980202 1118496700 /nfs/dbraw/zinc/49/67/00/1118496700.db2.gz INOFQOGDECOQQL-UHFFFAOYSA-N 0 3 275.314 3.769 20 10 CHCDHN COc1c(C)cc(C[N@H+](C)Cc2ccccc2[O-])cc1C ZINC000091956702 1118515652 /nfs/dbraw/zinc/51/56/52/1118515652.db2.gz PFYMZEMPDJGSPJ-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1c(C)cc(C[N@@H+](C)Cc2ccccc2[O-])cc1C ZINC000091956702 1118515655 /nfs/dbraw/zinc/51/56/55/1118515655.db2.gz PFYMZEMPDJGSPJ-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(F)cc2F)c1 ZINC000051016599 1118605014 /nfs/dbraw/zinc/60/50/14/1118605014.db2.gz ICKOGDGCFWUXET-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN CC(C)Cc1ccc(CN(C)Cc2ccccc2O)cn1 ZINC000891714045 1118749635 /nfs/dbraw/zinc/74/96/35/1118749635.db2.gz PWYDCTWUMHLQNG-UHFFFAOYSA-N 0 3 284.403 3.618 20 10 CHCDHN COc1ccccc1/C=C\C[N@H+](C)Cc1ccccc1[O-] ZINC000255392321 1118753334 /nfs/dbraw/zinc/75/33/34/1118753334.db2.gz ORGBDMBQRRGJNB-YFHOEESVSA-N 0 3 283.371 3.546 20 10 CHCDHN COc1ccccc1/C=C\C[N@@H+](C)Cc1ccccc1[O-] ZINC000255392321 1118753337 /nfs/dbraw/zinc/75/33/37/1118753337.db2.gz ORGBDMBQRRGJNB-YFHOEESVSA-N 0 3 283.371 3.546 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000276884757 1118832098 /nfs/dbraw/zinc/83/20/98/1118832098.db2.gz FHLRXQDGGUWNJU-UHFFFAOYSA-N 0 3 267.372 3.950 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)CCSC)c1ccccc1[O-] ZINC000129683979 1118880415 /nfs/dbraw/zinc/88/04/15/1118880415.db2.gz DMEUGFPGKAJMBB-YPMHNXCESA-N 0 3 253.411 3.575 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC000051630739 1119061927 /nfs/dbraw/zinc/06/19/27/1119061927.db2.gz IRQWBDUFNAHYGW-WMLDXEAASA-N 0 3 281.399 3.909 20 10 CHCDHN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000226562205 1119157424 /nfs/dbraw/zinc/15/74/24/1119157424.db2.gz AWELTMRVDQJAAH-BXUZGUMPSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000226562205 1119157422 /nfs/dbraw/zinc/15/74/22/1119157422.db2.gz AWELTMRVDQJAAH-BXUZGUMPSA-N 0 3 251.345 3.542 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3C3CC3)c2c1 ZINC000728562917 1119344997 /nfs/dbraw/zinc/34/49/97/1119344997.db2.gz RIYNNONZSGSHQA-SFHVURJKSA-N 0 3 297.398 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3C3CC3)c2c1 ZINC000728562917 1119344998 /nfs/dbraw/zinc/34/49/98/1119344998.db2.gz RIYNNONZSGSHQA-SFHVURJKSA-N 0 3 297.398 3.928 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCc1ccccc1)CC2 ZINC000383379743 1119611070 /nfs/dbraw/zinc/61/10/70/1119611070.db2.gz MKNBDHIJKWYFHQ-INIZCTEOSA-N 0 3 267.372 3.602 20 10 CHCDHN C[C@@H](c1ccco1)N(Cc1ccccc1O)C1CC1 ZINC000179563310 1119751251 /nfs/dbraw/zinc/75/12/51/1119751251.db2.gz FEEXUNUJIQECHP-LBPRGKRZSA-N 0 3 257.333 3.711 20 10 CHCDHN C[C@@H](c1ccco1)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000179563310 1119751254 /nfs/dbraw/zinc/75/12/54/1119751254.db2.gz FEEXUNUJIQECHP-LBPRGKRZSA-N 0 3 257.333 3.711 20 10 CHCDHN C[C@@H](c1ccco1)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000179563310 1119751257 /nfs/dbraw/zinc/75/12/57/1119751257.db2.gz FEEXUNUJIQECHP-LBPRGKRZSA-N 0 3 257.333 3.711 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000179557369 1119752005 /nfs/dbraw/zinc/75/20/05/1119752005.db2.gz CQJYBRKSIAWKCI-INIZCTEOSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000179557369 1119752009 /nfs/dbraw/zinc/75/20/09/1119752009.db2.gz CQJYBRKSIAWKCI-INIZCTEOSA-N 0 3 271.335 3.868 20 10 CHCDHN Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CCC2 ZINC000376351227 1119951758 /nfs/dbraw/zinc/95/17/58/1119951758.db2.gz JXXNQBQJUFMWSV-MFKMUULPSA-N 0 3 288.416 3.885 20 10 CHCDHN CCCC[N@H+](CCOCC(C)C)Cc1ccccc1[O-] ZINC000801594676 1128890590 /nfs/dbraw/zinc/89/05/90/1128890590.db2.gz KGTGABDRUZHESX-UHFFFAOYSA-N 0 3 279.424 3.667 20 10 CHCDHN CCCC[N@@H+](CCOCC(C)C)Cc1ccccc1[O-] ZINC000801594676 1128890594 /nfs/dbraw/zinc/89/05/94/1128890594.db2.gz KGTGABDRUZHESX-UHFFFAOYSA-N 0 3 279.424 3.667 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCOC(C)(C)C)c([O-])c1 ZINC000695281356 1120183683 /nfs/dbraw/zinc/18/36/83/1120183683.db2.gz RSZKCOQKXNWLCD-CYBMUJFWSA-N 0 3 265.397 3.556 20 10 CHCDHN C[C@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1[O-] ZINC001168690242 1120256284 /nfs/dbraw/zinc/25/62/84/1120256284.db2.gz KKIPHXCLSWICIA-WCQYABFASA-N 0 3 287.790 3.864 20 10 CHCDHN C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1[O-] ZINC000183542403 1120343305 /nfs/dbraw/zinc/34/33/05/1120343305.db2.gz LAMXQBJHIFMULZ-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN COC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCCCC1 ZINC000186508944 1120349587 /nfs/dbraw/zinc/34/95/87/1120349587.db2.gz ODXPVXFZHQNEHR-GFCCVEGCSA-N 0 3 281.371 3.531 20 10 CHCDHN CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000185625668 1120380951 /nfs/dbraw/zinc/38/09/51/1120380951.db2.gz NQLAJFCRNSUABY-YOEHRIQHSA-N 0 3 279.424 3.802 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(C)o1)c1ccccc1[O-] ZINC000689792774 1120380811 /nfs/dbraw/zinc/38/08/11/1120380811.db2.gz GFQPEMIDSUSPTP-OAHLLOKOSA-N 0 3 259.349 3.577 20 10 CHCDHN C[C@H](COc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756496696 1120387928 /nfs/dbraw/zinc/38/79/28/1120387928.db2.gz XLDOYJKZEXYRJY-CHWSQXEVSA-N 0 3 289.350 3.649 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000775482770 1120409696 /nfs/dbraw/zinc/40/96/96/1120409696.db2.gz ACWSQFGVXBUDID-CQSZACIVSA-N 0 3 298.858 3.674 20 10 CHCDHN Cc1ncccc1CNCc1ccc(N2CCCCC2)cc1 ZINC000728774461 1120440984 /nfs/dbraw/zinc/44/09/84/1120440984.db2.gz DPQGKHQFZJFRHZ-UHFFFAOYSA-N 0 3 295.430 3.670 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1[O-] ZINC000364363108 1120567548 /nfs/dbraw/zinc/56/75/48/1120567548.db2.gz NFNXGWYUKADYFJ-YALNPMBYSA-N 0 3 289.419 3.637 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000186569589 1120586773 /nfs/dbraw/zinc/58/67/73/1120586773.db2.gz SAEBBPBEDXZSEW-JQWIXIFHSA-N 0 3 276.405 3.611 20 10 CHCDHN CCCC[N@H+](Cc1c(C)noc1C)Cc1ccccc1[O-] ZINC000282394163 1120613072 /nfs/dbraw/zinc/61/30/72/1120613072.db2.gz HBDCXVFDXGAXMP-UHFFFAOYSA-N 0 3 288.391 3.799 20 10 CHCDHN CCCC[N@@H+](Cc1c(C)noc1C)Cc1ccccc1[O-] ZINC000282394163 1120613076 /nfs/dbraw/zinc/61/30/76/1120613076.db2.gz HBDCXVFDXGAXMP-UHFFFAOYSA-N 0 3 288.391 3.799 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000857082390 1120628782 /nfs/dbraw/zinc/62/87/82/1120628782.db2.gz NDDGDQQZBHOHFI-DTWKUNHWSA-N 0 3 292.181 3.766 20 10 CHCDHN COc1cccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185040552 1120909479 /nfs/dbraw/zinc/90/94/79/1120909479.db2.gz KJXVAFQHIDSQIS-CQSZACIVSA-N 0 3 285.387 3.603 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(C)ccc1O ZINC000092705038 1120964166 /nfs/dbraw/zinc/96/41/66/1120964166.db2.gz DURFEHVQVZSJCW-UHFFFAOYSA-N 0 3 285.387 3.818 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(C)ccc1O ZINC000092705038 1120964169 /nfs/dbraw/zinc/96/41/69/1120964169.db2.gz DURFEHVQVZSJCW-UHFFFAOYSA-N 0 3 285.387 3.818 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1CCCCC1 ZINC000226562106 1121158378 /nfs/dbraw/zinc/15/83/78/1121158378.db2.gz HOYMKDWRSBQWEP-UHFFFAOYSA-N 0 3 251.345 3.543 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1CCCCC1 ZINC000226562106 1121158381 /nfs/dbraw/zinc/15/83/81/1121158381.db2.gz HOYMKDWRSBQWEP-UHFFFAOYSA-N 0 3 251.345 3.543 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC001237140997 1128985674 /nfs/dbraw/zinc/98/56/74/1128985674.db2.gz QOQZGHXZAQBUPV-UHFFFAOYSA-N 0 3 285.309 3.787 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC001237140997 1128985676 /nfs/dbraw/zinc/98/56/76/1128985676.db2.gz QOQZGHXZAQBUPV-UHFFFAOYSA-N 0 3 285.309 3.787 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1[O-] ZINC000709662007 1121468134 /nfs/dbraw/zinc/46/81/34/1121468134.db2.gz HGBKLWSGVCRMPH-STQMWFEESA-N 0 3 277.408 3.637 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccccc1[O-] ZINC000709662001 1121468234 /nfs/dbraw/zinc/46/82/34/1121468234.db2.gz HGBKLWSGVCRMPH-CHWSQXEVSA-N 0 3 277.408 3.637 20 10 CHCDHN CCc1cccc(CNCc2ccccc2Cl)c1O ZINC000709447325 1121470709 /nfs/dbraw/zinc/47/07/09/1121470709.db2.gz TWEANZOXHAUQHG-UHFFFAOYSA-N 0 3 275.779 3.898 20 10 CHCDHN CCN(C)c1ccc(CN(C)[C@H](C)c2ccncc2)cc1 ZINC000773805693 1121859963 /nfs/dbraw/zinc/85/99/63/1121859963.db2.gz FVXGYWIJLGUSEX-OAHLLOKOSA-N 0 3 283.419 3.731 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(c3ccccc3)CC2)c([O-])c1 ZINC000731678791 1121881728 /nfs/dbraw/zinc/88/17/28/1121881728.db2.gz PPQCCRAQRIDIGC-UHFFFAOYSA-N 0 3 283.371 3.570 20 10 CHCDHN C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)c1ccccc1[O-] ZINC001179489347 1121883292 /nfs/dbraw/zinc/88/32/92/1121883292.db2.gz KIFFVVGFKPEYAC-CYBMUJFWSA-N 0 3 293.370 3.633 20 10 CHCDHN CC(C)C[C@@H]1COCCN1Cc1cc(C(C)C)ccc1O ZINC001180267103 1121968796 /nfs/dbraw/zinc/96/87/96/1121968796.db2.gz OEDSCJNAWRTIML-QGZVFWFLSA-N 0 3 291.435 3.763 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC001180271337 1121972523 /nfs/dbraw/zinc/97/25/23/1121972523.db2.gz ISFPEDDZHKSMQO-WQVCFCJDSA-N 0 3 277.383 3.932 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC001180271337 1121972526 /nfs/dbraw/zinc/97/25/26/1121972526.db2.gz ISFPEDDZHKSMQO-WQVCFCJDSA-N 0 3 277.383 3.932 20 10 CHCDHN CCC[NH+](CCC)CCCNCc1c([O-])cccc1Cl ZINC000733327002 1121978210 /nfs/dbraw/zinc/97/82/10/1121978210.db2.gz KCUAYTOIGOFDSL-UHFFFAOYSA-N 0 3 298.858 3.647 20 10 CHCDHN C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1[O-] ZINC000183100913 1129023170 /nfs/dbraw/zinc/02/31/70/1129023170.db2.gz XJEXBIWVLGQCNQ-CYBMUJFWSA-N 0 3 273.351 3.815 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC001180907535 1122022959 /nfs/dbraw/zinc/02/29/59/1122022959.db2.gz QGORDNOYBPEOOC-ZDUSSCGKSA-N 0 3 287.325 3.863 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC001180907535 1122022963 /nfs/dbraw/zinc/02/29/63/1122022963.db2.gz QGORDNOYBPEOOC-ZDUSSCGKSA-N 0 3 287.325 3.863 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)Cc2cccc(C)c2C)c([O-])c1 ZINC001182008136 1122106335 /nfs/dbraw/zinc/10/63/35/1122106335.db2.gz QZUZEOVVGOIBSE-UHFFFAOYSA-N 0 3 299.414 3.958 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)Cc2cccc(C)c2C)c([O-])c1 ZINC001182008136 1122106337 /nfs/dbraw/zinc/10/63/37/1122106337.db2.gz QZUZEOVVGOIBSE-UHFFFAOYSA-N 0 3 299.414 3.958 20 10 CHCDHN COCC1(C)CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000779606617 1129032447 /nfs/dbraw/zinc/03/24/47/1129032447.db2.gz VRBSYJKYXZAFGH-UHFFFAOYSA-N 0 3 297.826 3.603 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000271812886 1122176476 /nfs/dbraw/zinc/17/64/76/1122176476.db2.gz LHXVBRCWJOUQGU-HUUCEWRRSA-N 0 3 297.826 3.647 20 10 CHCDHN COC1CCC([N@H+](C)Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000271898891 1122181426 /nfs/dbraw/zinc/18/14/26/1122181426.db2.gz YUXBJHLBPPIOCR-UHFFFAOYSA-N 0 3 297.826 3.743 20 10 CHCDHN COC1CCC([N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000271898891 1122181429 /nfs/dbraw/zinc/18/14/29/1122181429.db2.gz YUXBJHLBPPIOCR-UHFFFAOYSA-N 0 3 297.826 3.743 20 10 CHCDHN CC[C@@](C)([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000691638785 1122220994 /nfs/dbraw/zinc/22/09/94/1122220994.db2.gz LKZQPYNBKLOGJO-OAHLLOKOSA-N 0 3 283.799 3.723 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000273386369 1122230402 /nfs/dbraw/zinc/23/04/02/1122230402.db2.gz CTMJLAVDHLXHEI-SOUVJXGZSA-N 0 3 277.408 3.556 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000273441269 1122233134 /nfs/dbraw/zinc/23/31/34/1122233134.db2.gz YMEJTUOYASMZRK-GFCCVEGCSA-N 0 3 289.350 3.781 20 10 CHCDHN CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])CCO1 ZINC000273533190 1122237530 /nfs/dbraw/zinc/23/75/30/1122237530.db2.gz WTPRZZZGXVITOS-BPLDGKMQSA-N 0 3 295.398 3.776 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1[O-] ZINC000183322036 1129045239 /nfs/dbraw/zinc/04/52/39/1129045239.db2.gz HWQSOBIPDJTDBR-MRXNPFEDSA-N 0 3 284.334 3.644 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccccc1[O-] ZINC000192907386 1129046304 /nfs/dbraw/zinc/04/63/04/1129046304.db2.gz XQMRTVSJKPDIMO-MSOLQXFVSA-N 0 3 298.430 3.736 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccccc1[O-] ZINC000155545291 1122428841 /nfs/dbraw/zinc/42/88/41/1122428841.db2.gz UDTAGQCEOGLRKF-SFHVURJKSA-N 0 3 298.430 3.742 20 10 CHCDHN C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183438727 1129055040 /nfs/dbraw/zinc/05/50/40/1129055040.db2.gz JDIHTDPETNYSAQ-OLZOCXBDSA-N 0 3 273.351 3.813 20 10 CHCDHN Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183534486 1129060798 /nfs/dbraw/zinc/06/07/98/1129060798.db2.gz PQYHTDDFJCKIMF-GJZGRUSLSA-N 0 3 285.387 3.819 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])Cc1cccs1 ZINC000183531605 1129061764 /nfs/dbraw/zinc/06/17/64/1129061764.db2.gz ISXQVXIEVWROQI-STQMWFEESA-N 0 3 275.417 3.983 20 10 CHCDHN CC[C@H]([NH2+]CCOc1ccc(C)cc1)c1ccccc1[O-] ZINC000775412724 1122555339 /nfs/dbraw/zinc/55/53/39/1122555339.db2.gz OPVJCFPPONMUII-KRWDZBQOSA-N 0 3 285.387 3.820 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000775486518 1122616657 /nfs/dbraw/zinc/61/66/57/1122616657.db2.gz COAMLESNKKFORQ-VYDXJSESSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccccc1[O-] ZINC000775489070 1122618226 /nfs/dbraw/zinc/61/82/26/1122618226.db2.gz MQVHPZBZBFNNGX-KRWDZBQOSA-N 0 3 290.451 3.697 20 10 CHCDHN CC[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1[O-] ZINC000775490964 1122619436 /nfs/dbraw/zinc/61/94/36/1122619436.db2.gz FSBGLEMVLYSGMB-MRXNPFEDSA-N 0 3 291.341 3.954 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccccc1[O-] ZINC000775512051 1122633850 /nfs/dbraw/zinc/63/38/50/1122633850.db2.gz JNGIRTSZNAMXRX-JKSUJKDBSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@H](CO)c1sccc1C)c1ccccc1[O-] ZINC000775524498 1122642798 /nfs/dbraw/zinc/64/27/98/1122642798.db2.gz APNUEOUFYRDOHK-UONOGXRCSA-N 0 3 291.416 3.536 20 10 CHCDHN CC[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccccc1[O-] ZINC000775526626 1122643570 /nfs/dbraw/zinc/64/35/70/1122643570.db2.gz SKBALXZFDJCXLX-FUHWJXTLSA-N 0 3 282.387 3.979 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(OC)cc1F)c1ccccc1[O-] ZINC000775526511 1122643626 /nfs/dbraw/zinc/64/36/26/1122643626.db2.gz KWBBLHSABMKOHJ-INIZCTEOSA-N 0 3 289.350 3.781 20 10 CHCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1cncs1 ZINC000775580925 1122681293 /nfs/dbraw/zinc/68/12/93/1122681293.db2.gz DOMOUONRXNMYET-VXGBXAGGSA-N 0 3 275.421 3.621 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1c(C)noc1C ZINC000183630576 1129072772 /nfs/dbraw/zinc/07/27/72/1129072772.db2.gz JGYHBSRHWXKGNM-YGRLFVJLSA-N 0 3 274.364 3.799 20 10 CHCDHN COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183631303 1129072908 /nfs/dbraw/zinc/07/29/08/1129072908.db2.gz ZHPGZDHWTOAVKW-GJZGRUSLSA-N 0 3 299.414 3.930 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(C)(C)O1 ZINC000775609987 1122799136 /nfs/dbraw/zinc/79/91/36/1122799136.db2.gz HVQLQENBRRPWND-OAHLLOKOSA-N 0 3 277.408 3.562 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(C)(C)O1 ZINC000775609987 1122799140 /nfs/dbraw/zinc/79/91/40/1122799140.db2.gz HVQLQENBRRPWND-OAHLLOKOSA-N 0 3 277.408 3.562 20 10 CHCDHN CCC(C)(C)[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775689339 1122909058 /nfs/dbraw/zinc/90/90/58/1122909058.db2.gz GZTYGHHNNPUBLM-UHFFFAOYSA-N 0 3 255.789 3.974 20 10 CHCDHN CCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775689339 1122909061 /nfs/dbraw/zinc/90/90/61/1122909061.db2.gz GZTYGHHNNPUBLM-UHFFFAOYSA-N 0 3 255.789 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC3(CCC3)C2)c1[O-] ZINC000775701269 1122911768 /nfs/dbraw/zinc/91/17/68/1122911768.db2.gz QCDWNHSCKPLGEC-UHFFFAOYSA-N 0 3 265.784 3.730 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC3(CCC3)C2)c1[O-] ZINC000775701269 1122911771 /nfs/dbraw/zinc/91/17/71/1122911771.db2.gz QCDWNHSCKPLGEC-UHFFFAOYSA-N 0 3 265.784 3.730 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1[O-] ZINC000775702382 1122914256 /nfs/dbraw/zinc/91/42/56/1122914256.db2.gz RZDMJBLKPBJJJA-GHMZBOCLSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1[O-] ZINC000775702382 1122914258 /nfs/dbraw/zinc/91/42/58/1122914258.db2.gz RZDMJBLKPBJJJA-GHMZBOCLSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1cccc(CN2CC[C@H]2c2cccc(F)c2)c1O ZINC000775726649 1122926922 /nfs/dbraw/zinc/92/69/22/1122926922.db2.gz YTQAHJWSAGHSCM-INIZCTEOSA-N 0 3 271.335 3.787 20 10 CHCDHN Cc1ccc2cc(CNCc3ccc4c(c3)CCO4)[nH]c2c1 ZINC000850112170 1123243231 /nfs/dbraw/zinc/24/32/31/1123243231.db2.gz UOYSYDBTRJUBML-UHFFFAOYSA-N 0 3 292.382 3.701 20 10 CHCDHN COCc1csc(CNCc2ccc(OC)c(C)c2)c1 ZINC000850113717 1123243261 /nfs/dbraw/zinc/24/32/61/1123243261.db2.gz SKANDCPZCQRRMX-UHFFFAOYSA-N 0 3 291.416 3.501 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1[O-] ZINC000895132963 1123244481 /nfs/dbraw/zinc/24/44/81/1123244481.db2.gz DNNCIALSNLDAEZ-QGZVFWFLSA-N 0 3 299.418 3.630 20 10 CHCDHN CC[C@@H]([NH2+]CCC1CC(OC)C1)c1ccc(C)cc1[O-] ZINC000850481712 1123273729 /nfs/dbraw/zinc/27/37/29/1123273729.db2.gz JCRSVIXJCGAIRZ-ZBCRRDGASA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(F)ccc1[O-] ZINC000850543409 1123289332 /nfs/dbraw/zinc/28/93/32/1123289332.db2.gz JDBCWIMBXZHERL-QFYYESIMSA-N 0 3 287.334 3.575 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CCC(F)CC1 ZINC000850555986 1123290980 /nfs/dbraw/zinc/29/09/80/1123290980.db2.gz QDERRIUOCIIBSI-TYVCDUJCSA-N 0 3 277.383 3.886 20 10 CHCDHN CC(C)CC1([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000850567177 1123293476 /nfs/dbraw/zinc/29/34/76/1123293476.db2.gz XZDXLRBHZLIEJF-LLVKDONJSA-N 0 3 251.345 3.761 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c([O-])c1 ZINC000850573461 1123294916 /nfs/dbraw/zinc/29/49/16/1123294916.db2.gz MIRKEEXRLBQZNW-YZVOILCLSA-N 0 3 299.414 3.516 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])c2c(n1)CCCC2 ZINC000895852572 1123522461 /nfs/dbraw/zinc/52/24/61/1123522461.db2.gz WUPFYNQNUUBDGF-CQSZACIVSA-N 0 3 296.414 3.825 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)c([O-])c1 ZINC000857081921 1123586152 /nfs/dbraw/zinc/58/61/52/1123586152.db2.gz RKWDCHRBOIBUKJ-NWDGAFQWSA-N 0 3 269.335 3.705 20 10 CHCDHN Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000896801945 1123628596 /nfs/dbraw/zinc/62/85/96/1123628596.db2.gz UULPFMQEHIELFJ-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Fc1cc(CNCc2ccc(N3CCCCC3)cc2)ccn1 ZINC000858115522 1123632821 /nfs/dbraw/zinc/63/28/21/1123632821.db2.gz IKLAZCITBYNAED-UHFFFAOYSA-N 0 3 299.393 3.501 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000862539824 1123818348 /nfs/dbraw/zinc/81/83/48/1123818348.db2.gz WFONBXPPUOSRII-OAHLLOKOSA-N 0 3 291.753 3.962 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1[O-] ZINC000763644827 1129150867 /nfs/dbraw/zinc/15/08/67/1129150867.db2.gz ADRZVTADAVHPDK-NSHDSACASA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1[O-] ZINC000763644827 1129150869 /nfs/dbraw/zinc/15/08/69/1129150869.db2.gz ADRZVTADAVHPDK-NSHDSACASA-N 0 3 295.810 3.819 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c([O-])c1 ZINC000763645536 1129153554 /nfs/dbraw/zinc/15/35/54/1129153554.db2.gz HQHWAQLPKPULPW-ZDUSSCGKSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c([O-])c1 ZINC000763645536 1129153557 /nfs/dbraw/zinc/15/35/57/1129153557.db2.gz HQHWAQLPKPULPW-ZDUSSCGKSA-N 0 3 275.392 3.555 20 10 CHCDHN CCCN1CCC([NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794789884 1123948826 /nfs/dbraw/zinc/94/88/26/1123948826.db2.gz AVBDMQNRTNNGCQ-KRWDZBQOSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(OC)cc1)c1ccc(C)cc1[O-] ZINC000794791573 1123948842 /nfs/dbraw/zinc/94/88/42/1123948842.db2.gz BAYRQDSUWJACMV-GOSISDBHSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@H]([NH2+]CC(CC)(CC)CCO)c1ccc(C)cc1[O-] ZINC000794801920 1123950279 /nfs/dbraw/zinc/95/02/79/1123950279.db2.gz LXUZCCZVKJWGBM-INIZCTEOSA-N 0 3 293.451 3.930 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)SC)c1ccc(C)cc1[O-] ZINC000794800343 1123950927 /nfs/dbraw/zinc/95/09/27/1123950927.db2.gz CTKLLRFXJKICTL-ZDUSSCGKSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802515 1123950939 /nfs/dbraw/zinc/95/09/39/1123950939.db2.gz FVTYRDCTIWFCSQ-WBVHZDCISA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccc(C)cc1[O-] ZINC000794803724 1123953430 /nfs/dbraw/zinc/95/34/30/1123953430.db2.gz SMSKBBGIRINUEA-UKRRQHHQSA-N 0 3 279.424 3.945 20 10 CHCDHN CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794807840 1123956339 /nfs/dbraw/zinc/95/63/39/1123956339.db2.gz MBYBKNIVYVBEMV-HKUYNNGSSA-N 0 3 299.414 3.649 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000794818127 1123960609 /nfs/dbraw/zinc/96/06/09/1123960609.db2.gz QIKPQIFIZLRKFO-FMKPAKJESA-N 0 3 277.408 3.556 20 10 CHCDHN COC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCC(C)CC1 ZINC000794834337 1123964950 /nfs/dbraw/zinc/96/49/50/1123964950.db2.gz MWWIAJBZMQMCAL-DBQDNQAGSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@@H]([NH2+]C1CCC(COC)CC1)c1ccccc1[O-] ZINC000840882494 1123971947 /nfs/dbraw/zinc/97/19/47/1123971947.db2.gz WATUTFCQDNAQMC-ZBCRRDGASA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1cc(O)c(CNCc2cccc(F)c2F)cc1C ZINC000865676847 1124003895 /nfs/dbraw/zinc/00/38/95/1124003895.db2.gz PFFJHWHOTSLFDP-UHFFFAOYSA-N 0 3 277.314 3.577 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000865835154 1124019951 /nfs/dbraw/zinc/01/99/51/1124019951.db2.gz ZULJBXMVUUNWLB-SFHVURJKSA-N 0 3 296.414 3.678 20 10 CHCDHN CC[C@H](NCc1ccnc(F)c1)c1ccc(N(C)C)cc1 ZINC000866472979 1124069127 /nfs/dbraw/zinc/06/91/27/1124069127.db2.gz IGKRWTJCXWUBAU-INIZCTEOSA-N 0 3 287.382 3.528 20 10 CHCDHN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000866491472 1124072699 /nfs/dbraw/zinc/07/26/99/1124072699.db2.gz RWQGTOCNMZXTJZ-GOPGUHFVSA-N 0 3 293.382 3.530 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000866499022 1124073129 /nfs/dbraw/zinc/07/31/29/1124073129.db2.gz CWQBXKAJGJTLPP-MVHNUAHISA-N 0 3 289.272 3.620 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1)c1ccccc1[O-] ZINC000037680203 1129165382 /nfs/dbraw/zinc/16/53/82/1129165382.db2.gz ZYWJHJNPNYKDPV-MRXNPFEDSA-N 0 3 271.360 3.642 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C2([C@H]3CCCCO3)CCC2)c([O-])c1 ZINC000866622963 1124091232 /nfs/dbraw/zinc/09/12/32/1124091232.db2.gz KTNYAKULLASEAQ-WMLDXEAASA-N 0 3 289.419 3.843 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2(OC(C)C)CCC2)c([O-])c1 ZINC000872116625 1124687654 /nfs/dbraw/zinc/68/76/54/1124687654.db2.gz UBEALHDJPBKQDD-CQSZACIVSA-N 0 3 277.408 3.699 20 10 CHCDHN Cc1ccc([C@H](C)N[C@@H](C)c2nccnc2C)c(O)c1C ZINC000872134331 1124692489 /nfs/dbraw/zinc/69/24/89/1124692489.db2.gz RKVKNYSNZZOGPI-JSGCOSHPSA-N 0 3 285.391 3.519 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])[C@H](O)c1ccccc1 ZINC000872133303 1124692892 /nfs/dbraw/zinc/69/28/92/1124692892.db2.gz PGJZOZJANRPQFF-DKSSEZFCSA-N 0 3 299.414 3.863 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c([O-])c1 ZINC000872259658 1124699255 /nfs/dbraw/zinc/69/92/55/1124699255.db2.gz FPMGZLWAQDJYPL-KRWDZBQOSA-N 0 3 289.419 3.624 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c([O-])c1 ZINC000872259658 1124699258 /nfs/dbraw/zinc/69/92/58/1124699258.db2.gz FPMGZLWAQDJYPL-KRWDZBQOSA-N 0 3 289.419 3.624 20 10 CHCDHN CCCOc1ccc(CNCc2ccc(C)nc2)cc1C ZINC000873013721 1124733884 /nfs/dbraw/zinc/73/38/84/1124733884.db2.gz GLXIKAICAXRWBJ-UHFFFAOYSA-N 0 3 284.403 3.777 20 10 CHCDHN CCCOc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1C ZINC000873096930 1124737991 /nfs/dbraw/zinc/73/79/91/1124737991.db2.gz AXQKZVLSEQOVCX-AWEZNQCLSA-N 0 3 272.392 3.963 20 10 CHCDHN CCCOc1ccc(CNCc2cncc(C)c2)cc1C ZINC000873096952 1124738492 /nfs/dbraw/zinc/73/84/92/1124738492.db2.gz BSQPUPPLUOBEHO-UHFFFAOYSA-N 0 3 284.403 3.777 20 10 CHCDHN CC[C@H]([NH2+]CCCN(C)c1ccccc1)c1ccccc1[O-] ZINC000020826822 1124878147 /nfs/dbraw/zinc/87/81/47/1124878147.db2.gz XFDUZFXGUNGOMD-SFHVURJKSA-N 0 3 298.430 3.959 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccsc1 ZINC000310771717 1124891569 /nfs/dbraw/zinc/89/15/69/1124891569.db2.gz CVJHYRVYXMIEMG-ZWNOBZJWSA-N 0 3 259.374 3.792 20 10 CHCDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000126056637 1124964705 /nfs/dbraw/zinc/96/47/05/1124964705.db2.gz GVCHSTWKQJWYAW-ZDUSSCGKSA-N 0 3 299.374 3.512 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(OCCC(C)C)CC1 ZINC000876621137 1124965706 /nfs/dbraw/zinc/96/57/06/1124965706.db2.gz WDZMGYJPHLWQHQ-UHFFFAOYSA-N 0 3 291.435 3.728 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000876906845 1124990123 /nfs/dbraw/zinc/99/01/23/1124990123.db2.gz JEPNFWSQCNAEAH-GOSISDBHSA-N 0 3 267.372 3.942 20 10 CHCDHN CC[C@@](C)(NCc1ccc(C)cc1O)c1nc(C)cs1 ZINC000877045487 1125002388 /nfs/dbraw/zinc/00/23/88/1125002388.db2.gz XBHLWAHENHFZGB-MRXNPFEDSA-N 0 3 290.432 3.881 20 10 CHCDHN Cc1ccc(CNC2(c3ccccc3F)CC2)c(O)c1 ZINC000877049081 1125004422 /nfs/dbraw/zinc/00/44/22/1125004422.db2.gz ARPJOKOKFSGWRR-UHFFFAOYSA-N 0 3 271.335 3.619 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2c(C)cccc2C)c([O-])c1 ZINC000877112440 1125010932 /nfs/dbraw/zinc/01/09/32/1125010932.db2.gz UMPKQGJSHKFYOJ-UHFFFAOYSA-N 0 3 255.361 3.607 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2cccc(F)c2F)c(O)c1 ZINC000877117445 1125011388 /nfs/dbraw/zinc/01/13/88/1125011388.db2.gz AFERABIPHGEIMZ-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000529666235 1125038826 /nfs/dbraw/zinc/03/88/26/1125038826.db2.gz SHKHBMNZKFXURG-OAHLLOKOSA-N 0 3 291.753 3.962 20 10 CHCDHN CC(C)Cc1ncc(C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000877756443 1125073190 /nfs/dbraw/zinc/07/31/90/1125073190.db2.gz IRGGGSPERWAHFO-GFCCVEGCSA-N 0 3 290.432 3.898 20 10 CHCDHN Cc1cc(F)ccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756496 1125073486 /nfs/dbraw/zinc/07/34/86/1125073486.db2.gz MVMRNVQAWAWCIT-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000877758350 1125075098 /nfs/dbraw/zinc/07/50/98/1125075098.db2.gz UZNROBYAGBDRSP-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758323 1125075362 /nfs/dbraw/zinc/07/53/62/1125075362.db2.gz SVSVRXSGVQCLMY-QAJFTPDKSA-N 0 3 299.351 3.766 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c([O-])c1 ZINC000877760875 1125076575 /nfs/dbraw/zinc/07/65/75/1125076575.db2.gz MVMBCOSBAPCXAM-CHWSQXEVSA-N 0 3 285.309 3.687 20 10 CHCDHN C[C@H]([NH2+]CCCCOC(C)(C)C)c1ccccc1[O-] ZINC000879650884 1125224279 /nfs/dbraw/zinc/22/42/79/1125224279.db2.gz VMIXUFRXGGXACN-ZDUSSCGKSA-N 0 3 265.397 3.638 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1OC1CC1)c1ccccc1[O-] ZINC000879650503 1125224120 /nfs/dbraw/zinc/22/41/20/1125224120.db2.gz FDZZRRFTQJOJQF-ZDUSSCGKSA-N 0 3 283.371 3.784 20 10 CHCDHN COc1cccc(CN[C@H](C)c2ccccc2O)c1Cl ZINC000879650351 1125224296 /nfs/dbraw/zinc/22/42/96/1125224296.db2.gz WCLXJMUIIBSIIZ-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1Cl ZINC000879650351 1125224297 /nfs/dbraw/zinc/22/42/97/1125224297.db2.gz WCLXJMUIIBSIIZ-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CC[C@H](C)C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228675640 1125251302 /nfs/dbraw/zinc/25/13/02/1125251302.db2.gz NWHNUNQXKPACRS-QWRGUYRKSA-N 0 3 285.815 3.969 20 10 CHCDHN CSC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000130932156 1125370608 /nfs/dbraw/zinc/37/06/08/1125370608.db2.gz JZPQYUXUILRUAC-CQSZACIVSA-N 0 3 287.428 3.873 20 10 CHCDHN CSC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000130932156 1125370614 /nfs/dbraw/zinc/37/06/14/1125370614.db2.gz JZPQYUXUILRUAC-CQSZACIVSA-N 0 3 287.428 3.873 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(C)cc1[O-] ZINC000883357022 1125401246 /nfs/dbraw/zinc/40/12/46/1125401246.db2.gz BBTOBHYITRFXDW-GOEBONIOSA-N 0 3 289.419 3.843 20 10 CHCDHN Cc1cc(CN2CCCC[C@](C)(F)C2)ccc1N(C)C ZINC001139669739 1131356126 /nfs/dbraw/zinc/35/61/26/1131356126.db2.gz KGWCVRPFWBYCGT-KRWDZBQOSA-N 0 3 278.415 3.775 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCc3occc31)CC2 ZINC000295901241 1129219265 /nfs/dbraw/zinc/21/92/65/1129219265.db2.gz IRFGTYZUKNYTPM-ZIAGYGMSSA-N 0 3 269.344 3.640 20 10 CHCDHN COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296237670 1129220620 /nfs/dbraw/zinc/22/06/20/1129220620.db2.gz APXKFXPAMUNGCB-BLLLJJGKSA-N 0 3 283.371 3.739 20 10 CHCDHN COCc1ccccc1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000037762738 1129266086 /nfs/dbraw/zinc/26/60/86/1129266086.db2.gz QLWRKGVHEJTIAL-CQSZACIVSA-N 0 3 285.387 3.698 20 10 CHCDHN C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2ccccc2O)o1 ZINC000091974431 1129376124 /nfs/dbraw/zinc/37/61/24/1129376124.db2.gz QFRVYBNEOQMGLH-DOMZBBRYSA-N 0 3 271.360 3.741 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(F)ccc1[O-] ZINC000248528989 1129420911 /nfs/dbraw/zinc/42/09/11/1129420911.db2.gz WKWWROGTILRYND-GIYVSIDVSA-N 0 3 297.373 3.768 20 10 CHCDHN Cn1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000093319262 1129421503 /nfs/dbraw/zinc/42/15/03/1129421503.db2.gz AXROBKQDGOGCMM-UHFFFAOYSA-N 0 3 284.403 3.676 20 10 CHCDHN Cn1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000093319262 1129421506 /nfs/dbraw/zinc/42/15/06/1129421506.db2.gz AXROBKQDGOGCMM-UHFFFAOYSA-N 0 3 284.403 3.676 20 10 CHCDHN C[C@@H]([NH2+]CCC1CCCC1)c1cc(F)ccc1[O-] ZINC000094617632 1129448437 /nfs/dbraw/zinc/44/84/37/1129448437.db2.gz AMCYMJOSEKFIDM-LLVKDONJSA-N 0 3 251.345 3.762 20 10 CHCDHN C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc(F)ccc1[O-] ZINC000094618101 1129448583 /nfs/dbraw/zinc/44/85/83/1129448583.db2.gz JVCXYIWRSZFQGA-JTQLQIEISA-N 0 3 295.304 3.703 20 10 CHCDHN C[N@H+](CCCCOc1ccccc1)Cc1ccccc1[O-] ZINC000741786066 1129452938 /nfs/dbraw/zinc/45/29/38/1129452938.db2.gz VBPUZTSKHCHRBH-UHFFFAOYSA-N 0 3 285.387 3.683 20 10 CHCDHN C[N@@H+](CCCCOc1ccccc1)Cc1ccccc1[O-] ZINC000741786066 1129452939 /nfs/dbraw/zinc/45/29/39/1129452939.db2.gz VBPUZTSKHCHRBH-UHFFFAOYSA-N 0 3 285.387 3.683 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCCCF)Cc1ccco1 ZINC000795954116 1129460920 /nfs/dbraw/zinc/46/09/20/1129460920.db2.gz YRLREYLGWOHTPQ-UHFFFAOYSA-N 0 3 277.339 3.737 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCCCF)Cc1ccco1 ZINC000795954116 1129460922 /nfs/dbraw/zinc/46/09/22/1129460922.db2.gz YRLREYLGWOHTPQ-UHFFFAOYSA-N 0 3 277.339 3.737 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC000742378731 1129476209 /nfs/dbraw/zinc/47/62/09/1129476209.db2.gz LIXKBBCSGYQMNB-OFQRWUPVSA-N 0 3 289.419 3.849 20 10 CHCDHN CCC[N@H+](CCOc1ccccc1)Cc1ccccc1[O-] ZINC000303145865 1129529995 /nfs/dbraw/zinc/52/99/95/1129529995.db2.gz RVJREPQXJBAXKQ-UHFFFAOYSA-N 0 3 285.387 3.683 20 10 CHCDHN CCC[N@@H+](CCOc1ccccc1)Cc1ccccc1[O-] ZINC000303145865 1129529998 /nfs/dbraw/zinc/52/99/98/1129529998.db2.gz RVJREPQXJBAXKQ-UHFFFAOYSA-N 0 3 285.387 3.683 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1N(C)C ZINC000743869802 1129542315 /nfs/dbraw/zinc/54/23/15/1129542315.db2.gz ANAZWVIEXJVFRI-UHFFFAOYSA-N 0 3 298.430 3.870 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1N(C)C ZINC000743869802 1129542317 /nfs/dbraw/zinc/54/23/17/1129542317.db2.gz ANAZWVIEXJVFRI-UHFFFAOYSA-N 0 3 298.430 3.870 20 10 CHCDHN CO[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)C1CC1 ZINC000822622182 1131389743 /nfs/dbraw/zinc/38/97/43/1131389743.db2.gz UNLXDIFHIVVDEX-SFHVURJKSA-N 0 3 289.419 3.562 20 10 CHCDHN CO[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C1CC1 ZINC000822622182 1131389750 /nfs/dbraw/zinc/38/97/50/1131389750.db2.gz UNLXDIFHIVVDEX-SFHVURJKSA-N 0 3 289.419 3.562 20 10 CHCDHN CCCC[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768139119 1129836541 /nfs/dbraw/zinc/83/65/41/1129836541.db2.gz BDCDRXJGAVAODR-UHFFFAOYSA-N 0 3 299.414 3.654 20 10 CHCDHN CCCC[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768139119 1129836546 /nfs/dbraw/zinc/83/65/46/1129836546.db2.gz BDCDRXJGAVAODR-UHFFFAOYSA-N 0 3 299.414 3.654 20 10 CHCDHN COc1cccc(O)c1CN(Cc1ccccc1)C1CC1 ZINC000768231642 1129845290 /nfs/dbraw/zinc/84/52/90/1129845290.db2.gz VFPALRQVVSUHQY-UHFFFAOYSA-N 0 3 283.371 3.565 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCSC1 ZINC000768262094 1129848978 /nfs/dbraw/zinc/84/89/78/1129848978.db2.gz GJECRCDWCKRRQL-QGZVFWFLSA-N 0 3 299.439 3.997 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCSC1 ZINC000768262094 1129848984 /nfs/dbraw/zinc/84/89/84/1129848984.db2.gz GJECRCDWCKRRQL-QGZVFWFLSA-N 0 3 299.439 3.997 20 10 CHCDHN CC(C)N(Cc1ccoc1)Cc1ccc(N(C)C)cc1 ZINC000768353454 1129853408 /nfs/dbraw/zinc/85/34/08/1129853408.db2.gz UXVLYXKXDPGLIO-UHFFFAOYSA-N 0 3 272.392 3.756 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000800231359 1129856786 /nfs/dbraw/zinc/85/67/86/1129856786.db2.gz DFXPCRHYBXITCK-RHSMWYFYSA-N 0 3 282.387 3.603 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CCC1=CCCCCC1 ZINC000768536592 1129861329 /nfs/dbraw/zinc/86/13/29/1129861329.db2.gz SMHATUJRMIQOCU-UHFFFAOYSA-N 0 3 263.356 3.902 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000800300915 1129864668 /nfs/dbraw/zinc/86/46/68/1129864668.db2.gz RSDBWAIQPIVESS-UHFFFAOYSA-N 0 3 298.361 3.735 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1nccc2ccccc21 ZINC000768872926 1129878279 /nfs/dbraw/zinc/87/82/79/1129878279.db2.gz LTJHSSZMIDECRK-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1nccc2ccccc21 ZINC000768872926 1129878283 /nfs/dbraw/zinc/87/82/83/1129878283.db2.gz LTJHSSZMIDECRK-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1cc(F)ccc1[O-] ZINC000800500621 1129880957 /nfs/dbraw/zinc/88/09/57/1129880957.db2.gz FXTCPFPRKCIAIM-LBPRGKRZSA-N 0 3 298.361 3.906 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1[O-] ZINC000800987124 1129902717 /nfs/dbraw/zinc/90/27/17/1129902717.db2.gz QBNLTTZVCNTCEL-NVXWUHKLSA-N 0 3 297.398 3.827 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000769426056 1129907300 /nfs/dbraw/zinc/90/73/00/1129907300.db2.gz BHISOHMDBCKZMX-SFHVURJKSA-N 0 3 287.403 3.723 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000769426056 1129907302 /nfs/dbraw/zinc/90/73/02/1129907302.db2.gz BHISOHMDBCKZMX-SFHVURJKSA-N 0 3 287.403 3.723 20 10 CHCDHN CC[C@H](Cc1ccccc1)[N@H+](C)Cc1c([O-])cccc1OC ZINC000769488610 1129909706 /nfs/dbraw/zinc/90/97/06/1129909706.db2.gz GKAOMZDUAPQNFK-MRXNPFEDSA-N 0 3 299.414 3.854 20 10 CHCDHN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769488610 1129909709 /nfs/dbraw/zinc/90/97/09/1129909709.db2.gz GKAOMZDUAPQNFK-MRXNPFEDSA-N 0 3 299.414 3.854 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000769498654 1129914136 /nfs/dbraw/zinc/91/41/36/1129914136.db2.gz NTUSHKQWBQQRHK-ZBFHGGJFSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000769498654 1129914138 /nfs/dbraw/zinc/91/41/38/1129914138.db2.gz NTUSHKQWBQQRHK-ZBFHGGJFSA-N 0 3 297.398 3.779 20 10 CHCDHN CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769536649 1129916222 /nfs/dbraw/zinc/91/62/22/1129916222.db2.gz CEAKINSKSOFHON-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769536649 1129916224 /nfs/dbraw/zinc/91/62/24/1129916224.db2.gz CEAKINSKSOFHON-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CCS[C@H]1CC[C@H]([N@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000769549028 1129916844 /nfs/dbraw/zinc/91/68/44/1129916844.db2.gz JUWGXIWUTIPHAI-STQMWFEESA-N 0 3 295.448 3.507 20 10 CHCDHN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000769549028 1129916847 /nfs/dbraw/zinc/91/68/47/1129916847.db2.gz JUWGXIWUTIPHAI-STQMWFEESA-N 0 3 295.448 3.507 20 10 CHCDHN CCCC[N@H+](CCC(F)(F)F)Cc1ccccc1[O-] ZINC000801595530 1129930932 /nfs/dbraw/zinc/93/09/32/1129930932.db2.gz MWSUMWZHZTZBHX-UHFFFAOYSA-N 0 3 275.314 3.947 20 10 CHCDHN CCCC[N@@H+](CCC(F)(F)F)Cc1ccccc1[O-] ZINC000801595530 1129930934 /nfs/dbraw/zinc/93/09/34/1129930934.db2.gz MWSUMWZHZTZBHX-UHFFFAOYSA-N 0 3 275.314 3.947 20 10 CHCDHN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])cc1 ZINC000770509478 1129948995 /nfs/dbraw/zinc/94/89/95/1129948995.db2.gz AESDQDZTFVJWJS-GOSISDBHSA-N 0 3 281.399 3.908 20 10 CHCDHN Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])cc1 ZINC000770509478 1129948998 /nfs/dbraw/zinc/94/89/98/1129948998.db2.gz AESDQDZTFVJWJS-GOSISDBHSA-N 0 3 281.399 3.908 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)c([O-])c1 ZINC000785548089 1130039159 /nfs/dbraw/zinc/03/91/59/1130039159.db2.gz JLYQSEAKMDBTAX-AWEZNQCLSA-N 0 3 277.408 3.849 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccccc1[O-] ZINC000786431596 1130093889 /nfs/dbraw/zinc/09/38/89/1130093889.db2.gz ROZQWNAZRIALGN-GJZGRUSLSA-N 0 3 289.419 3.925 20 10 CHCDHN Cc1c([C@@H](C)NCc2ccc3c(c2)CCO3)cnn1C(C)C ZINC000786903337 1130120164 /nfs/dbraw/zinc/12/01/64/1130120164.db2.gz KOGQCHSLXOBNIY-CYBMUJFWSA-N 0 3 299.418 3.558 20 10 CHCDHN C[C@H]1C[C@@H]1C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000788444032 1130186888 /nfs/dbraw/zinc/18/68/88/1130186888.db2.gz WOYVJIFKGLJCDY-DZGCQCFKSA-N 0 3 271.360 3.643 20 10 CHCDHN C[C@H]1C[C@@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000788444032 1130186891 /nfs/dbraw/zinc/18/68/91/1130186891.db2.gz WOYVJIFKGLJCDY-DZGCQCFKSA-N 0 3 271.360 3.643 20 10 CHCDHN CSC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000788605162 1130197376 /nfs/dbraw/zinc/19/73/76/1130197376.db2.gz GUPJLLXXBOIDBH-KOLCDFICSA-N 0 3 281.396 3.565 20 10 CHCDHN CC[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC000791002405 1130342653 /nfs/dbraw/zinc/34/26/53/1130342653.db2.gz HNUXUOBGAHEKEC-LJQANCHMSA-N 0 3 297.398 3.718 20 10 CHCDHN Cc1ccc([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)c(C)c1 ZINC000793232089 1130533166 /nfs/dbraw/zinc/53/31/66/1130533166.db2.gz IMHCFRGJINGAGF-MRXNPFEDSA-N 0 3 281.399 3.999 20 10 CHCDHN Cc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)c(C)c1 ZINC000793232089 1130533172 /nfs/dbraw/zinc/53/31/72/1130533172.db2.gz IMHCFRGJINGAGF-MRXNPFEDSA-N 0 3 281.399 3.999 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000793351996 1130549679 /nfs/dbraw/zinc/54/96/79/1130549679.db2.gz LMHUPOMPUJOJNL-YOEHRIQHSA-N 0 3 285.362 3.957 20 10 CHCDHN C[C@@H]1C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H](C)O1 ZINC001234992187 1130700197 /nfs/dbraw/zinc/70/01/97/1130700197.db2.gz NTXMNLPYFHIOHD-HUUCEWRRSA-N 0 3 297.398 3.668 20 10 CHCDHN [O-]c1c(C[N@@H+]2CCC[C@@H](F)C2)cccc1-c1ccccc1 ZINC001234995979 1130701741 /nfs/dbraw/zinc/70/17/41/1130701741.db2.gz RUWHEEJWCGYQGH-MRXNPFEDSA-N 0 3 285.362 3.993 20 10 CHCDHN [O-]c1c(C[N@H+]2CCC[C@@H](F)C2)cccc1-c1ccccc1 ZINC001234995979 1130701745 /nfs/dbraw/zinc/70/17/45/1130701745.db2.gz RUWHEEJWCGYQGH-MRXNPFEDSA-N 0 3 285.362 3.993 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000782053101 1130753261 /nfs/dbraw/zinc/75/32/61/1130753261.db2.gz OSSRJPQJRWDACH-GJZGRUSLSA-N 0 3 281.399 3.848 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)c2c1c(F)ccc2[O-] ZINC000813872897 1130793479 /nfs/dbraw/zinc/79/34/79/1130793479.db2.gz LGMJKBWICQVYMX-GZMMTYOYSA-N 0 3 285.309 3.715 20 10 CHCDHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccccc1O ZINC000783505786 1130830767 /nfs/dbraw/zinc/83/07/67/1130830767.db2.gz XJIHRHBKAQPLPK-XUJVJEKNSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccccc1[O-] ZINC000783505786 1130830773 /nfs/dbraw/zinc/83/07/73/1130830773.db2.gz XJIHRHBKAQPLPK-XUJVJEKNSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1ccccc1[O-] ZINC000783505774 1130831383 /nfs/dbraw/zinc/83/13/83/1130831383.db2.gz QCMGONMUGBOLIF-UONOGXRCSA-N 0 3 271.360 3.510 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)COc1cccc(F)c1)c1ccccc1[O-] ZINC000783503528 1130831519 /nfs/dbraw/zinc/83/15/19/1130831519.db2.gz FKVLOGOWRSITBB-QWHCGFSZSA-N 0 3 289.350 3.649 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccccc1[O-] ZINC000783520321 1130833790 /nfs/dbraw/zinc/83/37/90/1130833790.db2.gz XKDFXMQBAVCGLE-CZUORRHYSA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783519901 1130834272 /nfs/dbraw/zinc/83/42/72/1130834272.db2.gz MXRRWDVFRROVKW-QWHCGFSZSA-N 0 3 256.349 3.507 20 10 CHCDHN C[C@@H](CF)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000814299347 1130861653 /nfs/dbraw/zinc/86/16/53/1130861653.db2.gz COZVZRFLBGVZFC-HNNXBMFYSA-N 0 3 298.405 3.697 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000814297638 1130861820 /nfs/dbraw/zinc/86/18/20/1130861820.db2.gz JXJRNYJAAGLCLG-INIZCTEOSA-N 0 3 297.398 3.684 20 10 CHCDHN CCCN(CCC)c1ccc(CN[C@@H](C)CF)cc1 ZINC000814301182 1130863308 /nfs/dbraw/zinc/86/33/08/1130863308.db2.gz YDVQCPSKHBGDLV-AWEZNQCLSA-N 0 3 266.404 3.761 20 10 CHCDHN Cc1ccc(CCC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000784178433 1130887050 /nfs/dbraw/zinc/88/70/50/1130887050.db2.gz IXARLYTVTGMJBO-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN Cc1ccc(CCC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000784178433 1130887058 /nfs/dbraw/zinc/88/70/58/1130887058.db2.gz IXARLYTVTGMJBO-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN CCC[N@H+](Cc1ccc(CC)cn1)Cc1ccccc1[O-] ZINC000815055415 1130952078 /nfs/dbraw/zinc/95/20/78/1130952078.db2.gz ZSVRYQWIKPAMFR-UHFFFAOYSA-N 0 3 284.403 3.762 20 10 CHCDHN CCC[N@@H+](Cc1ccc(CC)cn1)Cc1ccccc1[O-] ZINC000815055415 1130952083 /nfs/dbraw/zinc/95/20/83/1130952083.db2.gz ZSVRYQWIKPAMFR-UHFFFAOYSA-N 0 3 284.403 3.762 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc32)c([O-])c1 ZINC000815576076 1131001278 /nfs/dbraw/zinc/00/12/78/1131001278.db2.gz IVFVTHOSSCDDLC-GDBMZVCRSA-N 0 3 281.399 4.000 20 10 CHCDHN CCc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c([O-])c1 ZINC001236788226 1131006108 /nfs/dbraw/zinc/00/61/08/1131006108.db2.gz ZKKFVEHHROIPGE-UHFFFAOYSA-N 0 3 295.373 3.966 20 10 CHCDHN COc1cc(C)c(C[NH+]2CCC(C(C)C)CC2)c([O-])c1 ZINC001236811339 1131011841 /nfs/dbraw/zinc/01/18/41/1131011841.db2.gz QBCGVWJEVOSHER-UHFFFAOYSA-N 0 3 277.408 3.577 20 10 CHCDHN C[C@]1(CF)CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236827848 1131015508 /nfs/dbraw/zinc/01/55/08/1131015508.db2.gz VUAIVEKVHSNQBR-QGZVFWFLSA-N 0 3 273.351 3.727 20 10 CHCDHN C[C@]1(CF)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236827848 1131015515 /nfs/dbraw/zinc/01/55/15/1131015515.db2.gz VUAIVEKVHSNQBR-QGZVFWFLSA-N 0 3 273.351 3.727 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCCC12CC2 ZINC001236826204 1131016104 /nfs/dbraw/zinc/01/61/04/1131016104.db2.gz IIHVIGCRYVTGBK-UHFFFAOYSA-N 0 3 253.345 3.674 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCCC12CC2 ZINC001236826204 1131016109 /nfs/dbraw/zinc/01/61/09/1131016109.db2.gz IIHVIGCRYVTGBK-UHFFFAOYSA-N 0 3 253.345 3.674 20 10 CHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C[C@H]1CCCCO1 ZINC001236834581 1131019231 /nfs/dbraw/zinc/01/92/31/1131019231.db2.gz AGEHFLKODBENEZ-QGZVFWFLSA-N 0 3 285.387 3.546 20 10 CHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C[C@H]1CCCCO1 ZINC001236834581 1131019238 /nfs/dbraw/zinc/01/92/38/1131019238.db2.gz AGEHFLKODBENEZ-QGZVFWFLSA-N 0 3 285.387 3.546 20 10 CHCDHN C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236837638 1131019515 /nfs/dbraw/zinc/01/95/15/1131019515.db2.gz SCTAEUKXWBNTFU-CYBMUJFWSA-N 0 3 255.361 3.777 20 10 CHCDHN C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236837638 1131019518 /nfs/dbraw/zinc/01/95/18/1131019518.db2.gz SCTAEUKXWBNTFU-CYBMUJFWSA-N 0 3 255.361 3.777 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001237047266 1131040157 /nfs/dbraw/zinc/04/01/57/1131040157.db2.gz KQFFSFDWLRNAIQ-UHFFFAOYSA-N 0 3 289.419 3.947 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001237047266 1131040162 /nfs/dbraw/zinc/04/01/62/1131040162.db2.gz KQFFSFDWLRNAIQ-UHFFFAOYSA-N 0 3 289.419 3.947 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)CC/C=C/c1cccnc1 ZINC001237491624 1131103364 /nfs/dbraw/zinc/10/33/64/1131103364.db2.gz KQQKCXOGMHEBHN-FPYGCLRLSA-N 0 3 282.387 3.631 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001237491624 1131103366 /nfs/dbraw/zinc/10/33/66/1131103366.db2.gz KQQKCXOGMHEBHN-FPYGCLRLSA-N 0 3 282.387 3.631 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001237485283 1131104713 /nfs/dbraw/zinc/10/47/13/1131104713.db2.gz NGNQSCHDZZNUGK-UHFFFAOYSA-N 0 3 281.346 3.712 20 10 CHCDHN COc1ccc([C@@H]2CC[N@H+](Cc3c(C)cccc3[O-])C2)cc1 ZINC001237491614 1131104795 /nfs/dbraw/zinc/10/47/95/1131104795.db2.gz KGLGWFWWHNNLRQ-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C2)cc1 ZINC001237491614 1131104800 /nfs/dbraw/zinc/10/48/00/1131104800.db2.gz KGLGWFWWHNNLRQ-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001237489851 1131105133 /nfs/dbraw/zinc/10/51/33/1131105133.db2.gz LNAFPHMHIZUYKS-QGZVFWFLSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001237489851 1131105135 /nfs/dbraw/zinc/10/51/35/1131105135.db2.gz LNAFPHMHIZUYKS-QGZVFWFLSA-N 0 3 297.398 3.744 20 10 CHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(C)cccc1[O-] ZINC001237495551 1131105926 /nfs/dbraw/zinc/10/59/26/1131105926.db2.gz SDCQYMGOIAWFSH-UHFFFAOYSA-N 0 3 298.430 3.789 20 10 CHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(C)cccc1[O-] ZINC001237495551 1131105930 /nfs/dbraw/zinc/10/59/30/1131105930.db2.gz SDCQYMGOIAWFSH-UHFFFAOYSA-N 0 3 298.430 3.789 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000816619753 1131117720 /nfs/dbraw/zinc/11/77/20/1131117720.db2.gz UCOAHAHZVVMXOG-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000816619753 1131117723 /nfs/dbraw/zinc/11/77/23/1131117723.db2.gz UCOAHAHZVVMXOG-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN COCC1(CC[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCC1 ZINC000816639006 1131118019 /nfs/dbraw/zinc/11/80/19/1131118019.db2.gz DTNSXGJACTWSMT-UHFFFAOYSA-N 0 3 297.826 3.650 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C ZINC000816649342 1131120908 /nfs/dbraw/zinc/12/09/08/1131120908.db2.gz XQGNQJYCKWRUOH-ZIAGYGMSSA-N 0 3 267.372 3.899 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C ZINC000816649342 1131120912 /nfs/dbraw/zinc/12/09/12/1131120912.db2.gz XQGNQJYCKWRUOH-ZIAGYGMSSA-N 0 3 267.372 3.899 20 10 CHCDHN Cc1cc([O-])c(C[NH+]2CCC(C)CC2)cc1Br ZINC001237678147 1131126802 /nfs/dbraw/zinc/12/68/02/1131126802.db2.gz VFTNOCNZWRUXQJ-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)CC2CCC2)c1[O-] ZINC001237687917 1131128546 /nfs/dbraw/zinc/12/85/46/1131128546.db2.gz YJAODBNBXLCQOU-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CC2CCC2)c1[O-] ZINC001237687917 1131128548 /nfs/dbraw/zinc/12/85/48/1131128548.db2.gz YJAODBNBXLCQOU-UHFFFAOYSA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC001237687802 1131128597 /nfs/dbraw/zinc/12/85/97/1131128597.db2.gz VHTMLUWJEUIEBP-JQWIXIFHSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC001237687802 1131128599 /nfs/dbraw/zinc/12/85/99/1131128599.db2.gz VHTMLUWJEUIEBP-JQWIXIFHSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(F)cc(CN(C)Cc2cccs2)c1O ZINC001238061925 1131166067 /nfs/dbraw/zinc/16/60/67/1131166067.db2.gz LQSSHSWGALINHJ-UHFFFAOYSA-N 0 3 265.353 3.533 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC001238065822 1131166176 /nfs/dbraw/zinc/16/61/76/1131166176.db2.gz BJUHSKKXESYRQB-SWLSCSKDSA-N 0 3 263.356 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC001238065822 1131166179 /nfs/dbraw/zinc/16/61/79/1131166179.db2.gz BJUHSKKXESYRQB-SWLSCSKDSA-N 0 3 263.356 3.604 20 10 CHCDHN Cc1cc(F)cc(CN2CCC[C@@H]2c2ccccn2)c1O ZINC001238063422 1131167065 /nfs/dbraw/zinc/16/70/65/1131167065.db2.gz WDPMIRKUTBRFGG-MRXNPFEDSA-N 0 3 286.350 3.572 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CC13CCSCC3)CC2 ZINC000817590625 1131174878 /nfs/dbraw/zinc/17/48/78/1131174878.db2.gz ZFXYGZBXRQYBNP-KGLIPLIRSA-N 0 3 289.444 3.502 20 10 CHCDHN CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000817953402 1131190628 /nfs/dbraw/zinc/19/06/28/1131190628.db2.gz MXSDVMPWIABDOC-KBXCAEBGSA-N 0 3 298.430 3.866 20 10 CHCDHN CC(C)c1nc([C@@H](C)NCCc2ccc(N)cc2)cs1 ZINC000817958245 1131191240 /nfs/dbraw/zinc/19/12/40/1131191240.db2.gz UVMZMIDOBBQCTN-GFCCVEGCSA-N 0 3 289.448 3.742 20 10 CHCDHN CC(C)c1nc([C@H](C)NCCc2ccc(N)cc2)cs1 ZINC000817958246 1131191606 /nfs/dbraw/zinc/19/16/06/1131191606.db2.gz UVMZMIDOBBQCTN-LBPRGKRZSA-N 0 3 289.448 3.742 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccccc1[O-] ZINC000817975930 1131193745 /nfs/dbraw/zinc/19/37/45/1131193745.db2.gz QWIUFNXQOOEQHC-ZDUSSCGKSA-N 0 3 282.387 3.601 20 10 CHCDHN Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817967375 1131194256 /nfs/dbraw/zinc/19/42/56/1131194256.db2.gz GVHNMQCJERUMPH-DLBZAZTESA-N 0 3 294.398 3.629 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)c1ccc(C)cc1[O-] ZINC000817980415 1131194779 /nfs/dbraw/zinc/19/47/79/1131194779.db2.gz LCULTPXNFQJJCM-QGZVFWFLSA-N 0 3 284.403 3.832 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)cc(N)c1)c1ccccc1[O-] ZINC000817979763 1131195210 /nfs/dbraw/zinc/19/52/10/1131195210.db2.gz FACKFJHPSBQEGS-INIZCTEOSA-N 0 3 270.376 3.524 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccccc1[O-] ZINC000817977385 1131195435 /nfs/dbraw/zinc/19/54/35/1131195435.db2.gz JDONZAFMZMEZPZ-CYBMUJFWSA-N 0 3 282.387 3.601 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1cc(F)ccc1[O-] ZINC000818344858 1131209763 /nfs/dbraw/zinc/20/97/63/1131209763.db2.gz HKCFGINRKPLGAW-WBIUFABUSA-N 0 3 263.356 3.618 20 10 CHCDHN CN(C)c1ccc(CN(C)Cc2cc3cccnc3o2)cc1 ZINC000823372098 1131424219 /nfs/dbraw/zinc/42/42/19/1131424219.db2.gz UTOWGLALTFKQFC-UHFFFAOYSA-N 0 3 295.386 3.526 20 10 CHCDHN C[C@@H](NCc1cc2cccnc2o1)c1ccc(N(C)C)cc1 ZINC000824196014 1131457792 /nfs/dbraw/zinc/45/77/92/1131457792.db2.gz MYMOEXAJBQIOFM-CYBMUJFWSA-N 0 3 295.386 3.745 20 10 CHCDHN C[C@]1(F)CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824472578 1131470514 /nfs/dbraw/zinc/47/05/14/1131470514.db2.gz VLPIONJSEGHCPV-KRWDZBQOSA-N 0 3 273.351 3.869 20 10 CHCDHN C[C@]1(F)CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824472578 1131470516 /nfs/dbraw/zinc/47/05/16/1131470516.db2.gz VLPIONJSEGHCPV-KRWDZBQOSA-N 0 3 273.351 3.869 20 10 CHCDHN Cc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])ccc1F ZINC000824549143 1131473200 /nfs/dbraw/zinc/47/32/00/1131473200.db2.gz ZFZNCUGGLFHLPF-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001136986963 1131498961 /nfs/dbraw/zinc/49/89/61/1131498961.db2.gz CMUXOHXCWJNNEQ-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001136986963 1131498962 /nfs/dbraw/zinc/49/89/62/1131498962.db2.gz CMUXOHXCWJNNEQ-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN Oc1cccc2c1CN(Cc1c[nH]c3cccc(F)c13)CC2 ZINC001136986963 1131498964 /nfs/dbraw/zinc/49/89/64/1131498964.db2.gz CMUXOHXCWJNNEQ-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN Cc1ccc2[nH]c(C[N@@H+](C)Cc3ccccc3[O-])cc2c1 ZINC001138418018 1131501931 /nfs/dbraw/zinc/50/19/31/1131501931.db2.gz OANWCQVZFSJERF-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN Cc1ccc2[nH]c(C[N@H+](C)Cc3ccccc3[O-])cc2c1 ZINC001138418018 1131501934 /nfs/dbraw/zinc/50/19/34/1131501934.db2.gz OANWCQVZFSJERF-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN Cn1ccc2c1cccc2C[N@H+](C)Cc1ccccc1[O-] ZINC001139162602 1131588700 /nfs/dbraw/zinc/58/87/00/1131588700.db2.gz WTVPMHZVBJOKOB-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN Cn1ccc2c1cccc2C[N@@H+](C)Cc1ccccc1[O-] ZINC001139162602 1131588703 /nfs/dbraw/zinc/58/87/03/1131588703.db2.gz WTVPMHZVBJOKOB-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN CC[N@H+](Cc1ccc(COC)s1)Cc1ccccc1[O-] ZINC001139831658 1131640254 /nfs/dbraw/zinc/64/02/54/1131640254.db2.gz YDSWWPWWKOQTEX-UHFFFAOYSA-N 0 3 291.416 3.622 20 10 CHCDHN CC[N@@H+](Cc1ccc(COC)s1)Cc1ccccc1[O-] ZINC001139831658 1131640256 /nfs/dbraw/zinc/64/02/56/1131640256.db2.gz YDSWWPWWKOQTEX-UHFFFAOYSA-N 0 3 291.416 3.622 20 10 CHCDHN C[N@H+](CCc1cccc(Cl)c1)Cc1cc(F)ccc1[O-] ZINC001140055200 1131659871 /nfs/dbraw/zinc/65/98/71/1131659871.db2.gz NNHGSUIMVDWDJP-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(F)ccc1[O-] ZINC001140055200 1131659876 /nfs/dbraw/zinc/65/98/76/1131659876.db2.gz NNHGSUIMVDWDJP-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN Cc1ccc(C)c(CN2CCO[C@@H](c3ccccc3)C2)c1O ZINC001140181649 1131673510 /nfs/dbraw/zinc/67/35/10/1131673510.db2.gz DVILAVAMDADMRB-GOSISDBHSA-N 0 3 297.398 3.583 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C)c2F)c1 ZINC000845972548 1131673961 /nfs/dbraw/zinc/67/39/61/1131673961.db2.gz RQISXSSMDXNSCC-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1F)c1ccccc1[O-] ZINC000845991241 1131675333 /nfs/dbraw/zinc/67/53/33/1131675333.db2.gz AICFWIOALZQCLD-MRXNPFEDSA-N 0 3 289.350 3.781 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(C)c(O)cc1C ZINC001140201822 1131676111 /nfs/dbraw/zinc/67/61/11/1131676111.db2.gz BUZUTTAKYCPNCZ-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(C)c(O)cc1C ZINC001140201822 1131676112 /nfs/dbraw/zinc/67/61/12/1131676112.db2.gz BUZUTTAKYCPNCZ-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2SC)c([O-])c1 ZINC000846009666 1131677866 /nfs/dbraw/zinc/67/78/66/1131677866.db2.gz AJTXNKJVGLGOMQ-GDBMZVCRSA-N 0 3 295.448 3.555 20 10 CHCDHN C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834526333 1131682054 /nfs/dbraw/zinc/68/20/54/1131682054.db2.gz GYKOGXZEJWQVAM-BLLLJJGKSA-N 0 3 285.362 3.739 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccccc1[O-] ZINC000846042821 1131683695 /nfs/dbraw/zinc/68/36/95/1131683695.db2.gz QHAVSDLFWPIOIY-AEFFLSMTSA-N 0 3 289.419 3.638 20 10 CHCDHN Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834590830 1131685794 /nfs/dbraw/zinc/68/57/94/1131685794.db2.gz ZIBHQDCQVZNPQD-KRWDZBQOSA-N 0 3 296.414 3.544 20 10 CHCDHN COc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834625153 1131688457 /nfs/dbraw/zinc/68/84/57/1131688457.db2.gz UUPOPYUCSXIRLM-CVEARBPZSA-N 0 3 295.382 3.665 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CC2 ZINC000834640884 1131690229 /nfs/dbraw/zinc/69/02/29/1131690229.db2.gz SAQPWIFGYPBFLC-HZPDHXFCSA-N 0 3 283.346 3.796 20 10 CHCDHN COc1cccc([C@H](C)NCc2ccccc2Cl)c1O ZINC000846136706 1131693580 /nfs/dbraw/zinc/69/35/80/1131693580.db2.gz JOYAILSYOZLGPL-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1cccc([C@@H](C)NCc2c(C)cccc2F)c1O ZINC000846144209 1131694835 /nfs/dbraw/zinc/69/48/35/1131694835.db2.gz GKHDWUJZSOTOHR-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)COCC2CC2)c1[O-] ZINC000846205828 1131695763 /nfs/dbraw/zinc/69/57/63/1131695763.db2.gz UHRDEJMCPIAMKY-VXGBXAGGSA-N 0 3 297.826 3.820 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2(CO)CCC2)c1[O-] ZINC000846211091 1131695819 /nfs/dbraw/zinc/69/58/19/1131695819.db2.gz SDVNJBSMTQWRDA-GFCCVEGCSA-N 0 3 297.826 3.557 20 10 CHCDHN COc1ccc(C2([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)cc1 ZINC000834718420 1131696788 /nfs/dbraw/zinc/69/67/88/1131696788.db2.gz VBNTWOXUALELCP-MRXNPFEDSA-N 0 3 295.382 3.667 20 10 CHCDHN CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834779695 1131704496 /nfs/dbraw/zinc/70/44/96/1131704496.db2.gz RFUVOAOLYRZCBS-NEPJUHHUSA-N 0 3 287.325 3.946 20 10 CHCDHN CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834779696 1131704668 /nfs/dbraw/zinc/70/46/68/1131704668.db2.gz RFUVOAOLYRZCBS-NWDGAFQWSA-N 0 3 287.325 3.946 20 10 CHCDHN COC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCCC1 ZINC000834814520 1131707209 /nfs/dbraw/zinc/70/72/09/1131707209.db2.gz LIJDXVRGCWGNBQ-YPMHNXCESA-N 0 3 293.382 3.628 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccccc1[O-] ZINC000834817873 1131707655 /nfs/dbraw/zinc/70/76/55/1131707655.db2.gz DTAHJKBGBIAZFN-CHWSQXEVSA-N 0 3 285.412 3.932 20 10 CHCDHN CCC[C@H](C[NH2+][C@H](CC)c1ccc(C)cc1[O-])OC ZINC000834841499 1131711133 /nfs/dbraw/zinc/71/11/33/1131711133.db2.gz VAJDUNGWAGYZDM-UKRRQHHQSA-N 0 3 265.397 3.556 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000834882428 1131717137 /nfs/dbraw/zinc/71/71/37/1131717137.db2.gz JVXMDQORWLRIAK-HUUCEWRRSA-N 0 3 289.419 3.701 20 10 CHCDHN C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000834884572 1131717971 /nfs/dbraw/zinc/71/79/71/1131717971.db2.gz NQLDLTILOOTYFF-PRHODGIISA-N 0 3 292.181 3.766 20 10 CHCDHN CO[C@@](C)(C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000834885073 1131718620 /nfs/dbraw/zinc/71/86/20/1131718620.db2.gz SVWLEXSMWYOCGY-KDOFPFPSSA-N 0 3 285.387 3.605 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC000834885901 1131718812 /nfs/dbraw/zinc/71/88/12/1131718812.db2.gz YVAFSMJPRGAAEB-GWCFXTLKSA-N 0 3 288.218 3.935 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccccc1[O-] ZINC000834911519 1131732195 /nfs/dbraw/zinc/73/21/95/1131732195.db2.gz TZZJOKHSOYTWCN-HIFRSBDPSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccccc1[O-] ZINC000834911522 1131732281 /nfs/dbraw/zinc/73/22/81/1131732281.db2.gz TZZJOKHSOYTWCN-ZFWWWQNUSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@@H]([NH2+]CCc1noc2ccccc12)c1ccccc1[O-] ZINC000846844815 1131750361 /nfs/dbraw/zinc/75/03/61/1131750361.db2.gz PWBVIMIMUGLICL-OAHLLOKOSA-N 0 3 296.370 3.817 20 10 CHCDHN C[C@@H](c1ccncc1)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835046969 1131763384 /nfs/dbraw/zinc/76/33/84/1131763384.db2.gz AZQDGUXOEXAWBV-JFDDCEBESA-N 0 3 295.430 3.854 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cccc2ccncc21 ZINC001140644238 1131844067 /nfs/dbraw/zinc/84/40/67/1131844067.db2.gz FOWFCTASVQWKTO-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cccc2ccncc21 ZINC001140644238 1131844072 /nfs/dbraw/zinc/84/40/72/1131844072.db2.gz FOWFCTASVQWKTO-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000712975637 1131960441 /nfs/dbraw/zinc/96/04/41/1131960441.db2.gz WIUOUKNTUFDRDB-AAEUAGOBSA-N 0 3 287.325 3.851 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1Cl)C(C)C ZINC001140921805 1131962873 /nfs/dbraw/zinc/96/28/73/1131962873.db2.gz QTOIQNFRBKXRMK-UHFFFAOYSA-N 0 3 254.805 3.636 20 10 CHCDHN Cc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC001140948173 1131968997 /nfs/dbraw/zinc/96/89/97/1131968997.db2.gz WOKYUZPDNXAFNG-AWEZNQCLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC001140948173 1131969001 /nfs/dbraw/zinc/96/90/01/1131969001.db2.gz WOKYUZPDNXAFNG-AWEZNQCLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC001140948057 1131969865 /nfs/dbraw/zinc/96/98/65/1131969865.db2.gz RBIUYRBEBWMLBV-CQSZACIVSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC001140948057 1131969867 /nfs/dbraw/zinc/96/98/67/1131969867.db2.gz RBIUYRBEBWMLBV-CQSZACIVSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@H](C)c2ccns2)c1 ZINC000715964033 1132000735 /nfs/dbraw/zinc/00/07/35/1132000735.db2.gz CLEYIIDOCHDEFG-WDEREUQCSA-N 0 3 262.378 3.569 20 10 CHCDHN Clc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000037362955 1132030592 /nfs/dbraw/zinc/03/05/92/1132030592.db2.gz PBGWUCLWNCQVED-UHFFFAOYSA-N 0 3 273.763 3.565 20 10 CHCDHN CCN(Cc1cccc(Cl)c1)Cc1cc(O)ccc1O ZINC001141162312 1132031979 /nfs/dbraw/zinc/03/19/79/1132031979.db2.gz OXLKJGYFMBYYNH-UHFFFAOYSA-N 0 3 291.778 3.773 20 10 CHCDHN CC[C@@H]1CN(Cc2ccc(N(C)CC)cc2)[C@@H](CC)CO1 ZINC001171778859 1132098771 /nfs/dbraw/zinc/09/87/71/1132098771.db2.gz QULLHEQMNXDWPE-FUHWJXTLSA-N 0 3 290.451 3.532 20 10 CHCDHN CC[C@@H](C)OCC[C@H](C)[N@H+](CC)Cc1ccccc1[O-] ZINC001172356437 1132185964 /nfs/dbraw/zinc/18/59/64/1132185964.db2.gz YKXOLRLMJKCTNS-LSDHHAIUSA-N 0 3 279.424 3.808 20 10 CHCDHN CC[C@@H](C)OCC[C@H](C)[N@@H+](CC)Cc1ccccc1[O-] ZINC001172356437 1132185968 /nfs/dbraw/zinc/18/59/68/1132185968.db2.gz YKXOLRLMJKCTNS-LSDHHAIUSA-N 0 3 279.424 3.808 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1ccc(C)cc1[O-] ZINC000840764620 1132284027 /nfs/dbraw/zinc/28/40/27/1132284027.db2.gz QRJSUUIVZPPWNL-LZWOXQAQSA-N 0 3 277.408 3.697 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccccc1[O-] ZINC000840876422 1132299689 /nfs/dbraw/zinc/29/96/89/1132299689.db2.gz MOPNNQVXRRCIBE-HNNXBMFYSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000840880325 1132300025 /nfs/dbraw/zinc/30/00/25/1132300025.db2.gz BWQAIVBOFRPPNP-ZOBUZTSGSA-N 0 3 279.424 3.537 20 10 CHCDHN COCC[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000840955864 1132313858 /nfs/dbraw/zinc/31/38/58/1132313858.db2.gz YVWLWEHGRMXDIQ-HNNXBMFYSA-N 0 3 299.414 3.821 20 10 CHCDHN C[C@@]1(F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1F ZINC001231587623 1132317116 /nfs/dbraw/zinc/31/71/16/1132317116.db2.gz WSISTPCOUCEPBE-DLBZAZTESA-N 0 3 291.341 3.817 20 10 CHCDHN C[C@@]1(F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1F ZINC001231587623 1132317122 /nfs/dbraw/zinc/31/71/22/1132317122.db2.gz WSISTPCOUCEPBE-DLBZAZTESA-N 0 3 291.341 3.817 20 10 CHCDHN C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1[O-] ZINC001172838580 1132331817 /nfs/dbraw/zinc/33/18/17/1132331817.db2.gz XLUYUKRGDVCYQV-NSHDSACASA-N 0 3 293.769 3.906 20 10 CHCDHN Cc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC001231842455 1132376163 /nfs/dbraw/zinc/37/61/63/1132376163.db2.gz MKDSJJPWFXFLNU-HIFRSBDPSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC001231842455 1132376171 /nfs/dbraw/zinc/37/61/71/1132376171.db2.gz MKDSJJPWFXFLNU-HIFRSBDPSA-N 0 3 261.409 3.877 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1ccccc1[O-] ZINC000841758365 1132394854 /nfs/dbraw/zinc/39/48/54/1132394854.db2.gz AOTZWCWURABLGJ-IAGOWNOFSA-N 0 3 283.371 3.704 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCCCC2)c([O-])c1 ZINC000841760984 1132396125 /nfs/dbraw/zinc/39/61/25/1132396125.db2.gz HLJFXZKJRWYVIW-ZBFHGGJFSA-N 0 3 291.435 3.683 20 10 CHCDHN CCCC[C@H](CC(C)C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001173252498 1132422328 /nfs/dbraw/zinc/42/23/28/1132422328.db2.gz IZAUDXGXDVVXRK-CQSZACIVSA-N 0 3 265.397 3.792 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c1[O-] ZINC001233287887 1132597119 /nfs/dbraw/zinc/59/71/19/1132597119.db2.gz LJLQVHFZKLLPGD-RYUDHWBXSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c1[O-] ZINC001233287887 1132597124 /nfs/dbraw/zinc/59/71/24/1132597124.db2.gz LJLQVHFZKLLPGD-RYUDHWBXSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1ccc(N(c2ccc(N)cc2)C2=CNCCC2)cc1 ZINC001159715457 1132898187 /nfs/dbraw/zinc/89/81/87/1132898187.db2.gz YLQLQNHSEDABAM-UHFFFAOYSA-N 0 3 295.386 3.640 20 10 CHCDHN Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203555572 1133338766 /nfs/dbraw/zinc/33/87/66/1133338766.db2.gz DRCFREUXWALKNL-KRWDZBQOSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203555572 1133338772 /nfs/dbraw/zinc/33/87/72/1133338772.db2.gz DRCFREUXWALKNL-KRWDZBQOSA-N 0 3 297.398 3.744 20 10 CHCDHN COc1ccc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)c([O-])c1 ZINC001203629190 1133347129 /nfs/dbraw/zinc/34/71/29/1133347129.db2.gz SLJIRFWHBCLGAL-UHFFFAOYSA-N 0 3 297.398 3.694 20 10 CHCDHN COc1ccc(C[N@H+]2Cc3ccccc3C(C)(C)C2)c([O-])c1 ZINC001203629190 1133347135 /nfs/dbraw/zinc/34/71/35/1133347135.db2.gz SLJIRFWHBCLGAL-UHFFFAOYSA-N 0 3 297.398 3.694 20 10 CHCDHN Cc1ccc([C@@H]2CCCN2Cc2ccc(O)c(O)c2)cc1 ZINC001203878611 1133377846 /nfs/dbraw/zinc/37/78/46/1133377846.db2.gz IFQJEDJVERABLT-INIZCTEOSA-N 0 3 283.371 3.743 20 10 CHCDHN Oc1ccc(CN2CCCC[C@H]2c2ccccc2)cc1O ZINC001203875377 1133377966 /nfs/dbraw/zinc/37/79/66/1133377966.db2.gz MZTFVVTZOXDFTQ-INIZCTEOSA-N 0 3 283.371 3.825 20 10 CHCDHN CN(Cc1ccc(O)c(O)c1)Cc1ccc2ccccc2c1 ZINC001203881905 1133378945 /nfs/dbraw/zinc/37/89/45/1133378945.db2.gz XPVFWQNYOCNEBT-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN CC[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H]1C ZINC001205471623 1133580470 /nfs/dbraw/zinc/58/04/70/1133580470.db2.gz OTMBQXDEVIWDIE-VXGBXAGGSA-N 0 3 282.378 3.651 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C2CC2)c([O-])c1 ZINC001205999080 1133639760 /nfs/dbraw/zinc/63/97/60/1133639760.db2.gz VBJFKIDSXPTWSB-GOSISDBHSA-N 0 3 281.399 3.984 20 10 CHCDHN Cc1ccc([C@@H](C)CC[N@@H+]2CCc3cccc([O-])c3C2)o1 ZINC001208165851 1133893158 /nfs/dbraw/zinc/89/31/58/1133893158.db2.gz HFDHGCUQRCLRHV-ZDUSSCGKSA-N 0 3 285.387 3.846 20 10 CHCDHN Cc1ccc([C@@H](C)CC[N@H+]2CCc3cccc([O-])c3C2)o1 ZINC001208165851 1133893164 /nfs/dbraw/zinc/89/31/64/1133893164.db2.gz HFDHGCUQRCLRHV-ZDUSSCGKSA-N 0 3 285.387 3.846 20 10 CHCDHN C[C@H]([NH2+]CCc1cccc2cccnc21)c1ccccc1[O-] ZINC000316948188 1135170670 /nfs/dbraw/zinc/17/06/70/1135170670.db2.gz BXOJCHBVBTXQGC-AWEZNQCLSA-N 0 3 292.382 3.834 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3ccccc32)c1 ZINC000020129855 171018785 /nfs/dbraw/zinc/01/87/85/171018785.db2.gz MYPSNNIXSKSHCD-SJCJKPOMSA-N 0 3 283.371 3.739 20 10 CHCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000020134479 171022677 /nfs/dbraw/zinc/02/26/77/171022677.db2.gz JHDGWGJQZPELAU-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000020137303 171024360 /nfs/dbraw/zinc/02/43/60/171024360.db2.gz MEQXPZUOCXBGOY-KBPBESRZSA-N 0 3 285.387 3.855 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000020146119 171031633 /nfs/dbraw/zinc/03/16/33/171031633.db2.gz BGSQSTRLTWPAOM-ZDUSSCGKSA-N 0 3 274.433 3.973 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000020146141 171031946 /nfs/dbraw/zinc/03/19/46/171031946.db2.gz ARAUMDVEEUJMAJ-AWEZNQCLSA-N 0 3 284.403 3.617 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000020147750 171035200 /nfs/dbraw/zinc/03/52/00/171035200.db2.gz LYXSJJMRVPINHT-CYBMUJFWSA-N 0 3 272.367 3.743 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000035628988 172308724 /nfs/dbraw/zinc/30/87/24/172308724.db2.gz NNPZKPAEJLTURX-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccccc2Cl)c1 ZINC000071403866 176155197 /nfs/dbraw/zinc/15/51/97/176155197.db2.gz PMMVCURWGBBEJD-UHFFFAOYSA-N 0 3 261.752 3.644 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])c1ccccc1 ZINC000071409103 176156650 /nfs/dbraw/zinc/15/66/50/176156650.db2.gz FMERCNGCENDTDP-MRXNPFEDSA-N 0 3 255.361 3.942 20 10 CHCDHN CCC[N@H+](Cc1cnc(C)s1)Cc1ccccc1[O-] ZINC000075829103 260291937 /nfs/dbraw/zinc/29/19/37/260291937.db2.gz MFLRYBVPGHJFJL-UHFFFAOYSA-N 0 3 276.405 3.569 20 10 CHCDHN CCC[N@@H+](Cc1cnc(C)s1)Cc1ccccc1[O-] ZINC000075829103 260291939 /nfs/dbraw/zinc/29/19/39/260291939.db2.gz MFLRYBVPGHJFJL-UHFFFAOYSA-N 0 3 276.405 3.569 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CC)c1ccccc1[O-])c1ccncc1 ZINC000156002644 261111282 /nfs/dbraw/zinc/11/12/82/261111282.db2.gz PPAGKJMBFCLIPT-HZPDHXFCSA-N 0 3 270.376 3.979 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1OC)c1ccccc1[O-] ZINC000156337161 261120517 /nfs/dbraw/zinc/12/05/17/261120517.db2.gz AEINYWRGINQKFB-INIZCTEOSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccccc1[O-] ZINC000156356620 261120712 /nfs/dbraw/zinc/12/07/12/261120712.db2.gz YBPRIDHDCNXACH-CQSZACIVSA-N 0 3 290.794 3.724 20 10 CHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N(C)C)cc1)CC2 ZINC000173228405 261158808 /nfs/dbraw/zinc/15/88/08/261158808.db2.gz IGZRXWSEIHUSNG-LJQANCHMSA-N 0 3 296.414 3.538 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c1[O-] ZINC000162703326 261291509 /nfs/dbraw/zinc/29/15/09/261291509.db2.gz SNCCVICAGOQUOK-CYBMUJFWSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H]2c2cccs2)c1[O-] ZINC000162703326 261291510 /nfs/dbraw/zinc/29/15/10/261291510.db2.gz SNCCVICAGOQUOK-CYBMUJFWSA-N 0 3 289.400 3.799 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000183985283 262003935 /nfs/dbraw/zinc/00/39/35/262003935.db2.gz BHOFLUVAFSXAAA-LSDHHAIUSA-N 0 3 277.408 3.701 20 10 CHCDHN C[C@H]([NH2+]CCc1cccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000184980499 262036095 /nfs/dbraw/zinc/03/60/95/262036095.db2.gz VSNJFBDTHULGPD-AWEZNQCLSA-N 0 3 296.414 3.559 20 10 CHCDHN COc1cc(C)ccc1CN[C@@H](C)c1cc(C)ccc1O ZINC000185714606 262067908 /nfs/dbraw/zinc/06/79/08/262067908.db2.gz NXXFSRPMFLADTR-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1[O-] ZINC000186319901 262089016 /nfs/dbraw/zinc/08/90/16/262089016.db2.gz AKYNZHLOOOEVAO-VCBZYWHSSA-N 0 3 298.430 3.734 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccccc1[O-] ZINC000183534726 327820489 /nfs/dbraw/zinc/82/04/89/327820489.db2.gz XOEPOMDZRLNLRS-QWHCGFSZSA-N 0 3 289.350 3.649 20 10 CHCDHN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000090339503 327094151 /nfs/dbraw/zinc/09/41/51/327094151.db2.gz MBTJCKHUELCVNA-STQMWFEESA-N 0 3 271.360 3.813 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000367318148 328890674 /nfs/dbraw/zinc/89/06/74/328890674.db2.gz PKAIWKQGBBSRMX-UHFFFAOYSA-N 0 3 289.325 3.706 20 10 CHCDHN COCCC1CC[NH+]([C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000527935691 330297842 /nfs/dbraw/zinc/29/78/42/330297842.db2.gz OJWRNGFORXHKHZ-CQSZACIVSA-N 0 3 277.408 3.510 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000527935767 330298036 /nfs/dbraw/zinc/29/80/36/330298036.db2.gz ZAMULROARGXSMU-ZBFHGGJFSA-N 0 3 277.408 3.558 20 10 CHCDHN CC(F)(F)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000292855557 520168694 /nfs/dbraw/zinc/16/86/94/520168694.db2.gz CDGGYRAYWJXKQB-UHFFFAOYSA-N 0 3 277.314 3.794 20 10 CHCDHN CCCOc1ccc(CN[C@H](C)c2ccc(C)o2)c(O)c1 ZINC000101589500 520375616 /nfs/dbraw/zinc/37/56/16/520375616.db2.gz BLPNXGWYDGHPDW-CYBMUJFWSA-N 0 3 289.375 3.933 20 10 CHCDHN CC[C@H]([NH2+]CCCCOC(C)C)c1ccccc1[O-] ZINC000157957587 522579570 /nfs/dbraw/zinc/57/95/70/522579570.db2.gz DBKNCZAIXKNLFL-HNNXBMFYSA-N 0 3 265.397 3.638 20 10 CHCDHN CC[C@H]([NH2+]CCCc1nccs1)c1ccc(C)cc1[O-] ZINC000280142183 522591471 /nfs/dbraw/zinc/59/14/71/522591471.db2.gz PRPYOVMPZOUGNV-AWEZNQCLSA-N 0 3 290.432 3.831 20 10 CHCDHN CC[C@H]([NH2+]CCc1csc(C)n1)c1ccc(C)cc1[O-] ZINC000280156350 522603123 /nfs/dbraw/zinc/60/31/23/522603123.db2.gz QLICXBROCUJQNE-HNNXBMFYSA-N 0 3 290.432 3.749 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000280299744 522617057 /nfs/dbraw/zinc/61/70/57/522617057.db2.gz ZUVUGYZEDHBEHZ-LZWOXQAQSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000280299740 522617714 /nfs/dbraw/zinc/61/77/14/522617714.db2.gz ZUVUGYZEDHBEHZ-FMKPAKJESA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(C)cc1[O-] ZINC000279945357 522655265 /nfs/dbraw/zinc/65/52/65/522655265.db2.gz BLNDAVHEXFSPCN-HNNXBMFYSA-N 0 3 299.370 3.670 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(C)cc1[O-] ZINC000280036848 522712349 /nfs/dbraw/zinc/71/23/49/522712349.db2.gz IOLQICUMMHZGQI-CUSZFKRNSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1[O-] ZINC000282683797 522712814 /nfs/dbraw/zinc/71/28/14/522712814.db2.gz JVGGAMMVGBTEAE-DOTOQJQBSA-N 0 3 289.419 3.782 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280276150 522736132 /nfs/dbraw/zinc/73/61/32/522736132.db2.gz YFHPSYOGWGQRQU-UKPHBRMFSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H](NCc1cn2ccc(C)cc2n1)c1ccccc1O ZINC000274912186 522889649 /nfs/dbraw/zinc/88/96/49/522889649.db2.gz NKXSPBJGQCMAAY-MRXNPFEDSA-N 0 3 295.386 3.589 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCSC2)c([O-])c1 ZINC000294008510 524333437 /nfs/dbraw/zinc/33/34/37/524333437.db2.gz DENOTHUTCZRINO-KBPBESRZSA-N 0 3 279.449 3.803 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000050225294 524593183 /nfs/dbraw/zinc/59/31/83/524593183.db2.gz HZPYWKQLYMVLFJ-ZDUSSCGKSA-N 0 3 274.433 3.973 20 10 CHCDHN C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000049154515 524764171 /nfs/dbraw/zinc/76/41/71/524764171.db2.gz BKRMWDVAUHISKD-NEPJUHHUSA-N 0 3 261.390 3.736 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000050225148 524771422 /nfs/dbraw/zinc/77/14/22/524771422.db2.gz LCTIVRXSUJGLAL-NSHDSACASA-N 0 3 277.389 3.622 20 10 CHCDHN Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617624 525169121 /nfs/dbraw/zinc/16/91/21/525169121.db2.gz AILXRVSEAAQVPU-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1cc(O)c(CNC2(c3ccccc3)CC2)cc1C ZINC000266187912 525318635 /nfs/dbraw/zinc/31/86/35/525318635.db2.gz HSLRTXDIKSBOAX-UHFFFAOYSA-N 0 3 267.372 3.788 20 10 CHCDHN Cc1cc([O-])c(C[NH2+]C2(c3ccccc3)CC2)cc1C ZINC000266187912 525318688 /nfs/dbraw/zinc/31/86/88/525318688.db2.gz HSLRTXDIKSBOAX-UHFFFAOYSA-N 0 3 267.372 3.788 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278586904 525363360 /nfs/dbraw/zinc/36/33/60/525363360.db2.gz YPUFCZHRCMGIBC-CQSZACIVSA-N 0 3 296.414 3.825 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000122141299 525526500 /nfs/dbraw/zinc/52/65/00/525526500.db2.gz HQMARMHKMLTEDJ-CYBMUJFWSA-N 0 3 299.374 3.512 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccsc1 ZINC000061361746 525531457 /nfs/dbraw/zinc/53/14/57/525531457.db2.gz LQPYZRWTTYECPL-CYBMUJFWSA-N 0 3 286.444 3.981 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)c([O-])c1C ZINC000290176774 525940016 /nfs/dbraw/zinc/94/00/16/525940016.db2.gz FCTKBWJZTWBLCW-QMTMVMCOSA-N 0 3 299.414 3.782 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)c([O-])c1C ZINC000273552629 525946262 /nfs/dbraw/zinc/94/62/62/525946262.db2.gz GFDKZRBVQGVABX-STQMWFEESA-N 0 3 265.422 3.555 20 10 CHCDHN CCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000393797039 1119969480 /nfs/dbraw/zinc/96/94/80/1119969480.db2.gz KGWUDXWXTHCAKH-SNVBAGLBSA-N 0 3 286.213 3.914 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1[O-] ZINC000775664276 1122877210 /nfs/dbraw/zinc/87/72/10/1122877210.db2.gz JWCWWVNNGDDERM-PHIMTYICSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1[O-] ZINC000775664276 1122877214 /nfs/dbraw/zinc/87/72/14/1122877214.db2.gz JWCWWVNNGDDERM-PHIMTYICSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC000857082299 1123585516 /nfs/dbraw/zinc/58/55/16/1123585516.db2.gz MJOBFTXJSWCOIB-QWRGUYRKSA-N 0 3 288.218 3.935 20 10 CHCDHN Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000866455425 1124067737 /nfs/dbraw/zinc/06/77/37/1124067737.db2.gz LKTDKVKWHKGXKL-VHSXEESVSA-N 0 3 262.378 3.569 20 10 CHCDHN Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC001140178695 1131673376 /nfs/dbraw/zinc/67/33/76/1131673376.db2.gz VBIJPIQVIMKICQ-DOMZBBRYSA-N 0 3 261.409 3.877 20 10 CHCDHN CCC[N@H+](Cc1cccc(COC)c1)Cc1ccccc1[O-] ZINC000179225186 1125699479 /nfs/dbraw/zinc/69/94/79/1125699479.db2.gz PIJRSIXJOMGTHO-UHFFFAOYSA-N 0 3 299.414 3.951 20 10 CHCDHN CCC[N@@H+](Cc1cccc(COC)c1)Cc1ccccc1[O-] ZINC000179225186 1125699482 /nfs/dbraw/zinc/69/94/82/1125699482.db2.gz PIJRSIXJOMGTHO-UHFFFAOYSA-N 0 3 299.414 3.951 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCCSC1)c1ccccc1[O-] ZINC000286963308 1125756105 /nfs/dbraw/zinc/75/61/05/1125756105.db2.gz IBPYJIUOBXAPQB-OCCSQVGLSA-N 0 3 265.422 3.576 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccccc1[O-] ZINC000286963305 1125756222 /nfs/dbraw/zinc/75/62/22/1125756222.db2.gz IBPYJIUOBXAPQB-JSGCOSHPSA-N 0 3 265.422 3.576 20 10 CHCDHN CCOc1ccc(C)c(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001238715269 1131236595 /nfs/dbraw/zinc/23/65/95/1131236595.db2.gz XJQOINWCIWYGKM-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCOc1ccc(C)c(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001238715269 1131236597 /nfs/dbraw/zinc/23/65/97/1131236597.db2.gz XJQOINWCIWYGKM-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C2CCC2)c1[O-] ZINC000324994617 1129205954 /nfs/dbraw/zinc/20/59/54/1129205954.db2.gz XOSVKXXAEUJUBH-OAHLLOKOSA-N 0 3 295.810 3.723 20 10 CHCDHN COc1ccc(F)cc1[C@H](C)NCc1cccc(C)c1O ZINC000158107224 1126746755 /nfs/dbraw/zinc/74/67/55/1126746755.db2.gz ZZSSFHHEILGMMJ-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN CC[C@](C)(NCc1cc(C)ccc1O)c1nc(C)cs1 ZINC000174505897 1126770774 /nfs/dbraw/zinc/77/07/74/1126770774.db2.gz PDZUEPJJYIBXPC-INIZCTEOSA-N 0 3 290.432 3.881 20 10 CHCDHN C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792794236 1130498698 /nfs/dbraw/zinc/49/86/98/1130498698.db2.gz XVZVQQOKESSJKN-LLVKDONJSA-N 0 3 286.341 3.613 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1[O-] ZINC000811512031 1130618198 /nfs/dbraw/zinc/61/81/98/1130618198.db2.gz BVWYPCSBCUMTGP-SNVBAGLBSA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1[O-] ZINC000811512031 1130618202 /nfs/dbraw/zinc/61/82/02/1130618202.db2.gz BVWYPCSBCUMTGP-SNVBAGLBSA-N 0 3 289.753 3.831 20 10 CHCDHN COc1ccc(O)c(CN([C@H](C)c2ccco2)C2CC2)c1 ZINC000179850027 1126836186 /nfs/dbraw/zinc/83/61/86/1126836186.db2.gz UNKJANJHRRVGHY-GFCCVEGCSA-N 0 3 287.359 3.719 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccccc1[O-] ZINC000183316624 1126884780 /nfs/dbraw/zinc/88/47/80/1126884780.db2.gz RIZXEYJCSLORBM-HNNXBMFYSA-N 0 3 289.350 3.781 20 10 CHCDHN C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1[O-] ZINC000183527354 1126888828 /nfs/dbraw/zinc/88/88/28/1126888828.db2.gz IAMRWERTWKTRCU-YOEHRIQHSA-N 0 3 285.387 3.557 20 10 CHCDHN C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183627089 1126889202 /nfs/dbraw/zinc/88/92/02/1126889202.db2.gz RAOMHBXYKJKIHI-KDOFPFPSSA-N 0 3 297.398 3.557 20 10 CHCDHN C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccccc1[O-] ZINC000183660805 1126889926 /nfs/dbraw/zinc/88/99/26/1126889926.db2.gz MTCJETSIDVVACB-GFCCVEGCSA-N 0 3 271.335 3.871 20 10 CHCDHN COc1ccc(F)cc1CN[C@H](C)c1cc(C)ccc1O ZINC000187591429 1126911907 /nfs/dbraw/zinc/91/19/07/1126911907.db2.gz SJAUBERXOOKOIP-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN CC(C)(C)c1ccc(CN2CCC[C@@H](F)C2)c(O)c1 ZINC001235681668 1130767015 /nfs/dbraw/zinc/76/70/15/1130767015.db2.gz BXYCAHBMEHRQFM-CQSZACIVSA-N 0 3 265.372 3.624 20 10 CHCDHN CN(C)c1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000191656042 1126953357 /nfs/dbraw/zinc/95/33/57/1126953357.db2.gz MMXDJFMMKXNMAB-SFHVURJKSA-N 0 3 296.414 3.625 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(Cl)o2)c(O)c1 ZINC000698074713 1127037680 /nfs/dbraw/zinc/03/76/80/1127037680.db2.gz MMMNAROIGKLFMW-JTQLQIEISA-N 0 3 265.740 3.798 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)[C@H](C)c1cccnc1 ZINC000269334555 1127038005 /nfs/dbraw/zinc/03/80/05/1127038005.db2.gz AZZMWZAJASPKRI-OAHLLOKOSA-N 0 3 283.419 3.731 20 10 CHCDHN Cc1ccncc1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000271332751 1127076083 /nfs/dbraw/zinc/07/60/83/1127076083.db2.gz BGUFICYXPMPRMB-HNNXBMFYSA-N 0 3 295.430 3.623 20 10 CHCDHN c1csc(S[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000283109454 1127122427 /nfs/dbraw/zinc/12/24/27/1127122427.db2.gz RTULAASIFJEUJK-CYBMUJFWSA-N 0 3 276.430 3.510 20 10 CHCDHN C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237137107 1131056769 /nfs/dbraw/zinc/05/67/69/1131056769.db2.gz MCCQFMHAFLDERK-JTQLQIEISA-N 0 3 273.298 3.643 20 10 CHCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C1CCCC1 ZINC001237122720 1131056052 /nfs/dbraw/zinc/05/60/52/1131056052.db2.gz LDDMNTPSZYYEOR-UHFFFAOYSA-N 0 3 289.297 3.665 20 10 CHCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C1CCCC1 ZINC001237122720 1131056057 /nfs/dbraw/zinc/05/60/57/1131056057.db2.gz LDDMNTPSZYYEOR-UHFFFAOYSA-N 0 3 289.297 3.665 20 10 CHCDHN C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237137107 1131056776 /nfs/dbraw/zinc/05/67/76/1131056776.db2.gz MCCQFMHAFLDERK-JTQLQIEISA-N 0 3 273.298 3.643 20 10 CHCDHN Cc1cc(C)c(O)c(CN(C)Cc2ccc(Cl)nc2)c1 ZINC000163895730 1127147323 /nfs/dbraw/zinc/14/73/23/1127147323.db2.gz IHSBUXDQMXASOK-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN CC[C@@H]([NH2+]CCSC(C)(C)C)c1ccccc1[O-] ZINC000156474882 1127157892 /nfs/dbraw/zinc/15/78/92/1127157892.db2.gz WUOQTKMSXBUIJD-CYBMUJFWSA-N 0 3 267.438 3.965 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccccc1[O-] ZINC000156588660 1127160173 /nfs/dbraw/zinc/16/01/73/1127160173.db2.gz RSSOXHWJIAWPHC-WMLDXEAASA-N 0 3 285.387 3.900 20 10 CHCDHN Cc1noc(C)c1C(C)(C)NCc1cc(C)c(C)cc1O ZINC000285398754 1127225816 /nfs/dbraw/zinc/22/58/16/1127225816.db2.gz DUJXLFZUMAXIHY-UHFFFAOYSA-N 0 3 288.391 3.639 20 10 CHCDHN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[O-])CCC2 ZINC000288381601 1127335475 /nfs/dbraw/zinc/33/54/75/1127335475.db2.gz GDMVMRPMTTXKHK-KRWDZBQOSA-N 0 3 267.372 3.868 20 10 CHCDHN Cc1ccccc1C[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226585339 1127412323 /nfs/dbraw/zinc/41/23/23/1127412323.db2.gz ZDEOERZXCVYJRK-CYBMUJFWSA-N 0 3 273.351 3.561 20 10 CHCDHN Cc1ccc(C[C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])s1 ZINC000226610760 1127412364 /nfs/dbraw/zinc/41/23/64/1127412364.db2.gz HFVODYCAPLRPRM-SNVBAGLBSA-N 0 3 279.380 3.622 20 10 CHCDHN C[C@@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000226701109 1127417504 /nfs/dbraw/zinc/41/75/04/1127417504.db2.gz ZTCUJHPARCIRBN-IIDMSEBBSA-N 0 3 290.451 3.553 20 10 CHCDHN CC(C)Oc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296004056 1127660515 /nfs/dbraw/zinc/66/05/15/1127660515.db2.gz OLBCVSGYGDMGMF-QGZVFWFLSA-N 0 3 297.398 3.957 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccncc1 ZINC000296241925 1127666339 /nfs/dbraw/zinc/66/63/39/1127666339.db2.gz ATYCAGRNHNKLMQ-CABCVRRESA-N 0 3 268.360 3.515 20 10 CHCDHN Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297606069 1127701634 /nfs/dbraw/zinc/70/16/34/1127701634.db2.gz IFVFAMAJBSURON-IRXDYDNUSA-N 0 3 279.383 3.965 20 10 CHCDHN Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297606064 1127701829 /nfs/dbraw/zinc/70/18/29/1127701829.db2.gz IFVFAMAJBSURON-IAGOWNOFSA-N 0 3 279.383 3.965 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCOc3ccccc31)CC2 ZINC000297728172 1127705765 /nfs/dbraw/zinc/70/57/65/1127705765.db2.gz NMWDDQPQDXLONA-JKSUJKDBSA-N 0 3 295.382 3.883 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccccc1[O-] ZINC000375344476 1127941599 /nfs/dbraw/zinc/94/15/99/1127941599.db2.gz FPJBANFGHHZTDK-IAQYHMDHSA-N 0 3 287.334 3.706 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccccc1[O-] ZINC000375344477 1127941754 /nfs/dbraw/zinc/94/17/54/1127941754.db2.gz FPJBANFGHHZTDK-XHDPSFHLSA-N 0 3 287.334 3.706 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCSCC(F)(F)F)c([O-])c1 ZINC000698951994 1128069086 /nfs/dbraw/zinc/06/90/86/1128069086.db2.gz FQFNPQGVFAGWHA-SNVBAGLBSA-N 0 3 293.354 3.647 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1[O-] ZINC000927091463 1128216575 /nfs/dbraw/zinc/21/65/75/1128216575.db2.gz PKWITHSXBDTDAN-INIZCTEOSA-N 0 3 283.371 3.568 20 10 CHCDHN CCCC(O)(CCC)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000155923152 1128619021 /nfs/dbraw/zinc/61/90/21/1128619021.db2.gz FAQMOUOZAOWWAS-HNNXBMFYSA-N 0 3 279.424 3.764 20 10 CHCDHN COCC[N@H+](Cc1ccc(C)cc1C)Cc1ccccc1[O-] ZINC000778996560 1128675839 /nfs/dbraw/zinc/67/58/39/1128675839.db2.gz QHJDGKPJIFXLNT-UHFFFAOYSA-N 0 3 299.414 3.658 20 10 CHCDHN COCC[N@@H+](Cc1ccc(C)cc1C)Cc1ccccc1[O-] ZINC000778996560 1128675842 /nfs/dbraw/zinc/67/58/42/1128675842.db2.gz QHJDGKPJIFXLNT-UHFFFAOYSA-N 0 3 299.414 3.658 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000779014952 1128679514 /nfs/dbraw/zinc/67/95/14/1128679514.db2.gz MMJKWKSVMJBVHO-ZDUSSCGKSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000779014952 1128679516 /nfs/dbraw/zinc/67/95/16/1128679516.db2.gz MMJKWKSVMJBVHO-ZDUSSCGKSA-N 0 3 289.325 3.660 20 10 CHCDHN Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ccc1[O-])CC2 ZINC000779075173 1128718595 /nfs/dbraw/zinc/71/85/95/1128718595.db2.gz XSAWJMNWKRYLDT-MRXNPFEDSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1cccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000185086048 1117761208 /nfs/dbraw/zinc/76/12/08/1117761208.db2.gz ZVSDLQAJQWSVQV-AWEZNQCLSA-N 0 3 296.414 3.825 20 10 CHCDHN COc1ccc(CCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000185095103 1117761294 /nfs/dbraw/zinc/76/12/94/1117761294.db2.gz IMFNRCKGZCEEPK-HNNXBMFYSA-N 0 3 299.414 3.993 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC000185230846 1117793851 /nfs/dbraw/zinc/79/38/51/1117793851.db2.gz CDKVNMFPCZYUCA-UHFFFAOYSA-N 0 3 285.362 3.786 20 10 CHCDHN CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185494684 1117829775 /nfs/dbraw/zinc/82/97/75/1117829775.db2.gz ZYCGQRNFRUQWIF-ZIAGYGMSSA-N 0 3 265.397 3.556 20 10 CHCDHN CCCC(O)(CCC)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185500975 1117830103 /nfs/dbraw/zinc/83/01/03/1117830103.db2.gz STTMIQMIOINKBN-LBPRGKRZSA-N 0 3 283.387 3.513 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c([O-])c1 ZINC000185528137 1117838040 /nfs/dbraw/zinc/83/80/40/1117838040.db2.gz JCAVJRGASMXXER-PBHICJAKSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)c([O-])c1 ZINC000186041056 1117974707 /nfs/dbraw/zinc/97/47/07/1117974707.db2.gz JJJJHWJPLZTNNC-CABCVRRESA-N 0 3 285.387 3.819 20 10 CHCDHN C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1[O-] ZINC000179581743 1128748963 /nfs/dbraw/zinc/74/89/63/1128748963.db2.gz JSVGXGLRVLKIJL-CYBMUJFWSA-N 0 3 253.345 3.512 20 10 CHCDHN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1[O-] ZINC000179581743 1128748966 /nfs/dbraw/zinc/74/89/66/1128748966.db2.gz JSVGXGLRVLKIJL-CYBMUJFWSA-N 0 3 253.345 3.512 20 10 CHCDHN CCc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000295826740 1118548812 /nfs/dbraw/zinc/54/88/12/1118548812.db2.gz DSSKZJSYICRQIX-AWEZNQCLSA-N 0 3 273.401 3.793 20 10 CHCDHN CCc1cccc(C[NH2+]C[C@H]2CCCC23CC3)c1[O-] ZINC000706978895 1118588687 /nfs/dbraw/zinc/58/86/87/1118588687.db2.gz KVZBHSCSBZSJFH-OAHLLOKOSA-N 0 3 259.393 3.625 20 10 CHCDHN Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000040499380 1118613844 /nfs/dbraw/zinc/61/38/44/1118613844.db2.gz OLIAQGPRKMBCML-CABCVRRESA-N 0 3 285.387 3.819 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000180650568 1128800499 /nfs/dbraw/zinc/80/04/99/1128800499.db2.gz VGCKSNPWPIGVDM-UHFFFAOYSA-N 0 3 298.361 3.735 20 10 CHCDHN C[C@H]1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000226562218 1119157460 /nfs/dbraw/zinc/15/74/60/1119157460.db2.gz AWELTMRVDQJAAH-FZMZJTMJSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000226562218 1119157462 /nfs/dbraw/zinc/15/74/62/1119157462.db2.gz AWELTMRVDQJAAH-FZMZJTMJSA-N 0 3 251.345 3.542 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1cccnc1 ZINC000076074095 1119182546 /nfs/dbraw/zinc/18/25/46/1119182546.db2.gz MNLFLESVBWUFOP-AWEZNQCLSA-N 0 3 270.376 3.760 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1cccnc1 ZINC000076074095 1119182547 /nfs/dbraw/zinc/18/25/47/1119182547.db2.gz MNLFLESVBWUFOP-AWEZNQCLSA-N 0 3 270.376 3.760 20 10 CHCDHN CC(C)CCn1cccc1CNCc1ccc(N(C)C)cc1 ZINC000161555624 1119302296 /nfs/dbraw/zinc/30/22/96/1119302296.db2.gz QRXIXAUGFGLTRS-UHFFFAOYSA-N 0 3 299.462 3.890 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000169084272 1119492719 /nfs/dbraw/zinc/49/27/19/1119492719.db2.gz KUUJYUUAPIHUAC-MNOVXSKESA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000169084272 1119492720 /nfs/dbraw/zinc/49/27/20/1119492720.db2.gz KUUJYUUAPIHUAC-MNOVXSKESA-N 0 3 283.799 3.532 20 10 CHCDHN CC[C@@H]([NH2+]CCCOc1ccccc1)c1ccccc1[O-] ZINC000052091976 1119781210 /nfs/dbraw/zinc/78/12/10/1119781210.db2.gz GVYUIXKFXVDJKI-QGZVFWFLSA-N 0 3 285.387 3.902 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1CCC(F)(F)CC1 ZINC000690786845 1119819493 /nfs/dbraw/zinc/81/94/93/1119819493.db2.gz VOUVAHZGEWKYIW-NSHDSACASA-N 0 3 269.335 3.696 20 10 CHCDHN Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccccc2[O-])c1 ZINC000107319891 1120059093 /nfs/dbraw/zinc/05/90/93/1120059093.db2.gz DZYGPZNCNDZWSQ-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183438551 1120341094 /nfs/dbraw/zinc/34/10/94/1120341094.db2.gz MODUMOCBDHBDEB-GJZGRUSLSA-N 0 3 285.387 3.819 20 10 CHCDHN Cc1cscc1CNCc1ccc2c(c1)CCCO2 ZINC000922069123 1120353355 /nfs/dbraw/zinc/35/33/55/1120353355.db2.gz RUPUERWONDLBOY-UHFFFAOYSA-N 0 3 273.401 3.671 20 10 CHCDHN Cc1ccccc1OCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756481667 1120369993 /nfs/dbraw/zinc/36/99/93/1120369993.db2.gz DTNHPXSJCBQQTN-ZDUSSCGKSA-N 0 3 289.350 3.569 20 10 CHCDHN COc1ccc(CNCc2ccc(C)c(F)c2)cc1C ZINC000078303002 1128912871 /nfs/dbraw/zinc/91/28/71/1128912871.db2.gz ODPQRRNZZJDAKC-UHFFFAOYSA-N 0 3 273.351 3.741 20 10 CHCDHN COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020096741 1120583866 /nfs/dbraw/zinc/58/38/66/1120583866.db2.gz BTASRJDHHMNLDA-QWHCGFSZSA-N 0 3 271.360 3.813 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCOCC2CCCC2)c([O-])c1 ZINC000313299082 1120706261 /nfs/dbraw/zinc/70/62/61/1120706261.db2.gz NDERGAWVHBZZHL-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@H]([NH2+]CCOCC1CCCC1)c1ccccc1[O-] ZINC000313291445 1120706330 /nfs/dbraw/zinc/70/63/30/1120706330.db2.gz GVKGYWHZJKVAKM-INIZCTEOSA-N 0 3 277.408 3.640 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)c([O-])c1 ZINC000756759818 1120806798 /nfs/dbraw/zinc/80/67/98/1120806798.db2.gz ZQBICHHTJIECHV-PBHICJAKSA-N 0 3 291.435 3.947 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCN(C)c2ccccc2)c([O-])c1 ZINC000314041389 1120855153 /nfs/dbraw/zinc/85/51/53/1120855153.db2.gz BOWWFWPLVBZNLZ-MRXNPFEDSA-N 0 3 298.430 3.878 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)c1ccccc1[O-] ZINC000314846385 1120978591 /nfs/dbraw/zinc/97/85/91/1120978591.db2.gz UYHXINBVTLYUCP-MRXNPFEDSA-N 0 3 270.376 3.645 20 10 CHCDHN CC(C)(C)C1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000225029320 1121129587 /nfs/dbraw/zinc/12/95/87/1121129587.db2.gz QDABKIBHJYDMSC-UHFFFAOYSA-N 0 3 277.408 3.792 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C2(CC(C)C)CC2)c1[O-] ZINC000701488216 1121154920 /nfs/dbraw/zinc/15/49/20/1121154920.db2.gz CLSZMTBUTYHIKF-UHFFFAOYSA-N 0 3 283.799 3.723 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000094616718 1121216185 /nfs/dbraw/zinc/21/61/85/1121216185.db2.gz MVWAJYILTUIJON-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H](C)C2)c1[O-] ZINC000703203779 1121239384 /nfs/dbraw/zinc/23/93/84/1121239384.db2.gz FMVVPGYAJDYUOK-NSHDSACASA-N 0 3 283.799 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@H](C)C2)c1[O-] ZINC000703203779 1121239386 /nfs/dbraw/zinc/23/93/86/1121239386.db2.gz FMVVPGYAJDYUOK-NSHDSACASA-N 0 3 283.799 3.676 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)c([O-])c1 ZINC000231791503 1121244411 /nfs/dbraw/zinc/24/44/11/1121244411.db2.gz PYVKAOSZCBJJSG-UWVGGRQHSA-N 0 3 261.287 3.692 20 10 CHCDHN CCC[C@H](C[NH2+][C@H](CC)c1ccccc1[O-])OCC ZINC000705317184 1121396582 /nfs/dbraw/zinc/39/65/82/1121396582.db2.gz OZANMPOICANNHA-UKRRQHHQSA-N 0 3 265.397 3.638 20 10 CHCDHN CCC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])OCC ZINC000705319224 1121396834 /nfs/dbraw/zinc/39/68/34/1121396834.db2.gz XMMMDEOIACUOOH-KGLIPLIRSA-N 0 3 265.397 3.556 20 10 CHCDHN CN(C)c1ccc(CN[C@]2(C)CCOc3ccccc32)cc1 ZINC000923023796 1121513906 /nfs/dbraw/zinc/51/39/06/1121513906.db2.gz BKGSTNKWULLYCG-LJQANCHMSA-N 0 3 296.414 3.540 20 10 CHCDHN O=C(c1ccc(F)cc1)c1ccccc1Nc1ncc[nH]1 ZINC001176082971 1121533826 /nfs/dbraw/zinc/53/38/26/1121533826.db2.gz QZEQIZBFTFMAKH-UHFFFAOYSA-N 0 3 281.290 3.523 20 10 CHCDHN CCC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000727831286 1121751106 /nfs/dbraw/zinc/75/11/06/1121751106.db2.gz TVEWLQDCDARSJA-UHFFFAOYSA-N 0 3 255.361 3.804 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000727831286 1121751112 /nfs/dbraw/zinc/75/11/12/1121751112.db2.gz TVEWLQDCDARSJA-UHFFFAOYSA-N 0 3 255.361 3.804 20 10 CHCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@@H](C)O1 ZINC001204233575 1121830921 /nfs/dbraw/zinc/83/09/21/1121830921.db2.gz RPVVQDIGGITWEL-HUUCEWRRSA-N 0 3 298.430 3.515 20 10 CHCDHN C[C@H]([NH2+]Cc1c[nH]nc1-c1ccsc1)c1ccccc1[O-] ZINC001179489038 1121883202 /nfs/dbraw/zinc/88/32/02/1121883202.db2.gz DUGPXRFSRLLRCN-NSHDSACASA-N 0 3 299.399 3.695 20 10 CHCDHN Cc1ccccc1OCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000731842813 1121889170 /nfs/dbraw/zinc/88/91/70/1121889170.db2.gz GXHHGTWWUGJPAM-UHFFFAOYSA-N 0 3 285.387 3.602 20 10 CHCDHN Cc1ccccc1OCCC[N@H+](C)Cc1ccccc1[O-] ZINC000731842813 1121889180 /nfs/dbraw/zinc/88/91/80/1121889180.db2.gz GXHHGTWWUGJPAM-UHFFFAOYSA-N 0 3 285.387 3.602 20 10 CHCDHN CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732820719 1121940747 /nfs/dbraw/zinc/94/07/47/1121940747.db2.gz NDLZZIIQMBQPGJ-LIRRHRJNSA-N 0 3 299.414 3.556 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CC2CCC2)c1[O-] ZINC000710248645 1121963403 /nfs/dbraw/zinc/96/34/03/1121963403.db2.gz MWCZYJAOTPWGQZ-SNVBAGLBSA-N 0 3 283.799 3.723 20 10 CHCDHN Cc1[nH]c2ccccc2c1C[N@@H+](C)Cc1ccccc1[O-] ZINC001204295651 1122048995 /nfs/dbraw/zinc/04/89/95/1122048995.db2.gz UGLISUQWOXGCMU-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN Cc1[nH]c2ccccc2c1C[N@H+](C)Cc1ccccc1[O-] ZINC001204295651 1122049001 /nfs/dbraw/zinc/04/90/01/1122049001.db2.gz UGLISUQWOXGCMU-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN CC[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccccc1[O-] ZINC000774490471 1122169661 /nfs/dbraw/zinc/16/96/61/1122169661.db2.gz XSNOHXIDYVATEB-INIZCTEOSA-N 0 3 290.451 3.555 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(c3ccco3)CC2)c([O-])c1 ZINC001182796460 1122187508 /nfs/dbraw/zinc/18/75/08/1122187508.db2.gz VJHPIFCNNVSPJQ-UHFFFAOYSA-N 0 3 271.360 3.673 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001182969779 1122198285 /nfs/dbraw/zinc/19/82/85/1122198285.db2.gz JVEBMEVLFDACBV-ZDUSSCGKSA-N 0 3 263.356 3.543 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001182969779 1122198286 /nfs/dbraw/zinc/19/82/86/1122198286.db2.gz JVEBMEVLFDACBV-ZDUSSCGKSA-N 0 3 263.356 3.543 20 10 CHCDHN Cc1ccc(CC2C[NH+](Cc3ccc(C)cc3[O-])C2)cc1 ZINC001182929987 1122198830 /nfs/dbraw/zinc/19/88/30/1122198830.db2.gz SIUVDCDYQSVFBU-UHFFFAOYSA-N 0 3 281.399 3.684 20 10 CHCDHN COCC[C@H](N[C@@H](C)c1ccc(C)cc1O)c1ccco1 ZINC000273431098 1122232565 /nfs/dbraw/zinc/23/25/65/1122232565.db2.gz LCGWRLHBSMHXTF-ZFWWWQNUSA-N 0 3 289.375 3.722 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(Cl)cn2)c(O)c1C ZINC000273542925 1122237251 /nfs/dbraw/zinc/23/72/51/1122237251.db2.gz YRQVRUGCUFUYCP-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2C)c([O-])c1 ZINC001184153027 1122256979 /nfs/dbraw/zinc/25/69/79/1122256979.db2.gz CENHGZXIHCQRRV-UHFFFAOYSA-N 0 3 275.779 3.952 20 10 CHCDHN C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1ccccc1[O-] ZINC000183402496 1129050931 /nfs/dbraw/zinc/05/09/31/1129050931.db2.gz SVLZGOLUGASRJC-AWEZNQCLSA-N 0 3 267.372 3.775 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccccc1[O-] ZINC000183459149 1129055808 /nfs/dbraw/zinc/05/58/08/1129055808.db2.gz VVXXUDUNAKKOMP-JKSUJKDBSA-N 0 3 299.414 3.896 20 10 CHCDHN Cc1cc2cc(CNCc3ccc4c(c3)CCO4)ccc2[nH]1 ZINC000285604853 1122515857 /nfs/dbraw/zinc/51/58/57/1122515857.db2.gz WWPUHADVQDAXRM-UHFFFAOYSA-N 0 3 292.382 3.701 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(Cc3ccccc3)CC2)c([O-])c1 ZINC000775328158 1122517767 /nfs/dbraw/zinc/51/77/67/1122517767.db2.gz YZRFBJMAQAVDFZ-UHFFFAOYSA-N 0 3 297.398 3.656 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1cccc(F)c1 ZINC000183534237 1129060961 /nfs/dbraw/zinc/06/09/61/1129060961.db2.gz LWTQICHZPWXJGK-OLZOCXBDSA-N 0 3 289.350 3.649 20 10 CHCDHN Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183533749 1129061231 /nfs/dbraw/zinc/06/12/31/1129061231.db2.gz YNMMOZNNJXCJAT-HUUCEWRRSA-N 0 3 285.387 3.819 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1ccccc1[O-] ZINC000775492757 1122622172 /nfs/dbraw/zinc/62/21/72/1122622172.db2.gz QLVIMIPPUIHBDE-VYDXJSESSA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000775492756 1122622617 /nfs/dbraw/zinc/62/26/17/1122622617.db2.gz QLVIMIPPUIHBDE-UXLLHSPISA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@@H]([NH2+]CCN1CCCC[C@H]1CC)c1ccccc1[O-] ZINC000775504089 1122630974 /nfs/dbraw/zinc/63/09/74/1122630974.db2.gz SCHKSXLEZPJRMR-NVXWUHKLSA-N 0 3 290.451 3.697 20 10 CHCDHN CC[C@H]([NH2+]CCN1CCCC[C@H]1CC)c1ccccc1[O-] ZINC000775504091 1122631300 /nfs/dbraw/zinc/63/13/00/1122631300.db2.gz SCHKSXLEZPJRMR-WBVHZDCISA-N 0 3 290.451 3.697 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])C1CCOCC1 ZINC000775512048 1122633656 /nfs/dbraw/zinc/63/36/56/1122633656.db2.gz JNGIRTSZNAMXRX-CVEARBPZSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccccc1[O-] ZINC000775512049 1122633772 /nfs/dbraw/zinc/63/37/72/1122633772.db2.gz JNGIRTSZNAMXRX-HOTGVXAUSA-N 0 3 277.408 3.638 20 10 CHCDHN COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183631348 1129072816 /nfs/dbraw/zinc/07/28/16/1129072816.db2.gz ZHPGZDHWTOAVKW-HUUCEWRRSA-N 0 3 299.414 3.930 20 10 CHCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])CC1CC1 ZINC000775700070 1122911804 /nfs/dbraw/zinc/91/18/04/1122911804.db2.gz AGDMSQHOOCPKGZ-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])CC1CC1 ZINC000775700070 1122911809 /nfs/dbraw/zinc/91/18/09/1122911809.db2.gz AGDMSQHOOCPKGZ-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000776012504 1123036046 /nfs/dbraw/zinc/03/60/46/1123036046.db2.gz HFNQRRYJXWAIKQ-BXKDBHETSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000776012504 1123036051 /nfs/dbraw/zinc/03/60/51/1123036051.db2.gz HFNQRRYJXWAIKQ-BXKDBHETSA-N 0 3 291.288 3.694 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CC2(O)CCCCCC2)c1[O-] ZINC000776208766 1123147677 /nfs/dbraw/zinc/14/76/77/1123147677.db2.gz FYSLIIPDDWTXHH-UHFFFAOYSA-N 0 3 297.826 3.529 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)C2CCCCC2)c([O-])c1 ZINC000776213066 1123150026 /nfs/dbraw/zinc/15/00/26/1123150026.db2.gz PNMFDADBQXCBHP-CYBMUJFWSA-N 0 3 277.408 3.849 20 10 CHCDHN Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776255436 1123188450 /nfs/dbraw/zinc/18/84/50/1123188450.db2.gz XIFDUMHSZKWJOQ-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCCOC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000850527224 1123282030 /nfs/dbraw/zinc/28/20/30/1123282030.db2.gz VNKCWFZHJCHVBN-AAEUAGOBSA-N 0 3 295.398 3.874 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1[O-] ZINC000850531491 1123285173 /nfs/dbraw/zinc/28/51/73/1123285173.db2.gz JXTHCYKIJILNCU-XIRDDKMYSA-N 0 3 297.398 3.616 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cc(F)ccc1[O-] ZINC000850537674 1123288259 /nfs/dbraw/zinc/28/82/59/1123288259.db2.gz WYNBJRCTVCRKBD-RNCFNFMXSA-N 0 3 273.298 3.617 20 10 CHCDHN CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000850555145 1123290800 /nfs/dbraw/zinc/29/08/00/1123290800.db2.gz MIQAYACUKFTLQK-JVPBZIDWSA-N 0 3 299.414 3.801 20 10 CHCDHN CC(C)CC1([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000850567179 1123293522 /nfs/dbraw/zinc/29/35/22/1123293522.db2.gz XZDXLRBHZLIEJF-NSHDSACASA-N 0 3 251.345 3.761 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccc(F)c2cccnc12 ZINC000109770374 1123326130 /nfs/dbraw/zinc/32/61/30/1123326130.db2.gz IWEFPXYIMJXLAL-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccc(F)c2cccnc12 ZINC000109770374 1123326134 /nfs/dbraw/zinc/32/61/34/1123326134.db2.gz IWEFPXYIMJXLAL-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCC1CCC1)C[C@@H]1CCCO1 ZINC000851840911 1123384224 /nfs/dbraw/zinc/38/42/24/1123384224.db2.gz LQZUKPWUXLUDBG-KRWDZBQOSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCC1CCC1)C[C@@H]1CCCO1 ZINC000851840911 1123384226 /nfs/dbraw/zinc/38/42/26/1123384226.db2.gz LQZUKPWUXLUDBG-KRWDZBQOSA-N 0 3 289.419 3.563 20 10 CHCDHN C[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000783508738 1123400182 /nfs/dbraw/zinc/40/01/82/1123400182.db2.gz KQTZGACBWVIIDO-QWHCGFSZSA-N 0 3 273.351 3.986 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC23CCCC3)c1[O-] ZINC001237681081 1129123357 /nfs/dbraw/zinc/12/33/57/1129123357.db2.gz KYJBBYBHTWPOOM-UHFFFAOYSA-N 0 3 265.784 3.873 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC23CCCC3)c1[O-] ZINC001237681081 1129123359 /nfs/dbraw/zinc/12/33/59/1129123359.db2.gz KYJBBYBHTWPOOM-UHFFFAOYSA-N 0 3 265.784 3.873 20 10 CHCDHN COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000783521092 1123470298 /nfs/dbraw/zinc/47/02/98/1123470298.db2.gz DTRMFCIBIJBMAS-KBPBESRZSA-N 0 3 285.387 3.683 20 10 CHCDHN COc1ccc(C2([NH2+][C@@H](C)c3ccccc3[O-])CC2)cc1 ZINC000783522843 1123475853 /nfs/dbraw/zinc/47/58/53/1123475853.db2.gz BEDXEQUGQZHDQH-ZDUSSCGKSA-N 0 3 283.371 3.741 20 10 CHCDHN CCC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000112516921 1123492203 /nfs/dbraw/zinc/49/22/03/1123492203.db2.gz PJPVSCZCXGMZKW-UHFFFAOYSA-N 0 3 273.351 3.944 20 10 CHCDHN CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000112516921 1123492207 /nfs/dbraw/zinc/49/22/07/1123492207.db2.gz PJPVSCZCXGMZKW-UHFFFAOYSA-N 0 3 273.351 3.944 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCOC2(CCC2)C1 ZINC000895820433 1123518005 /nfs/dbraw/zinc/51/80/05/1123518005.db2.gz FTFIHLFRKCACIH-KRWDZBQOSA-N 0 3 289.419 3.530 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000895851038 1123521919 /nfs/dbraw/zinc/52/19/19/1123521919.db2.gz IIJUPZQVTPKIFR-DZKIICNBSA-N 0 3 297.398 3.683 20 10 CHCDHN COc1ccc(F)c(CN[C@@H](C)c2cc(C)ccc2O)c1 ZINC000857080570 1123584639 /nfs/dbraw/zinc/58/46/39/1123584639.db2.gz IEYMRLNZFBMOGT-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN CN(C)c1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281403679 1123705684 /nfs/dbraw/zinc/70/56/84/1123705684.db2.gz YXHNEPUEEXJPNQ-GOSISDBHSA-N 0 3 299.393 3.528 20 10 CHCDHN CC[C@H]([NH2+]C1CCC(OC)CC1)c1ccc(C)cc1[O-] ZINC000840791702 1123806799 /nfs/dbraw/zinc/80/67/99/1123806799.db2.gz BZEJBECBMCVXAH-XUJLQICISA-N 0 3 277.408 3.699 20 10 CHCDHN CN(C)c1ccc(/C=C\CN2CCCC(F)(F)CC2)cc1 ZINC000862467137 1123812841 /nfs/dbraw/zinc/81/28/41/1123812841.db2.gz QRBVBKKQNXOOES-HYXAFXHYSA-N 0 3 294.389 3.887 20 10 CHCDHN CN(C)c1ccc(CN2CCCC(F)(F)CC2)cc1F ZINC000862466796 1123813260 /nfs/dbraw/zinc/81/32/60/1123813260.db2.gz LDAPFSHUQPHNCO-UHFFFAOYSA-N 0 3 286.341 3.513 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+](C1CC1)C1CC1 ZINC000863304648 1123859785 /nfs/dbraw/zinc/85/97/85/1123859785.db2.gz JFXZKYFVLDGUQA-UHFFFAOYSA-N 0 3 253.345 3.672 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1cnc(C)cn1 ZINC000794545977 1123886735 /nfs/dbraw/zinc/88/67/35/1123886735.db2.gz NKHOOELFROSBRU-OAHLLOKOSA-N 0 3 299.418 3.854 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1cnc(C)cn1 ZINC000794545977 1123886743 /nfs/dbraw/zinc/88/67/43/1123886743.db2.gz NKHOOELFROSBRU-OAHLLOKOSA-N 0 3 299.418 3.854 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(C)cc1[O-] ZINC000794800725 1123950757 /nfs/dbraw/zinc/95/07/57/1123950757.db2.gz FEEKQVNJLBKFOM-KRWDZBQOSA-N 0 3 285.387 3.690 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CO)c1ccccc1C)c1ccc(C)cc1[O-] ZINC000794804859 1123952403 /nfs/dbraw/zinc/95/24/03/1123952403.db2.gz VQWKHWUMGGCMMT-QZTJIDSGSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C)cc1[O-] ZINC000794803382 1123953252 /nfs/dbraw/zinc/95/32/52/1123953252.db2.gz ISFWJQQZUHGAIK-KRWDZBQOSA-N 0 3 297.398 3.876 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)c1ccc(C)cc1[O-] ZINC000794811596 1123956819 /nfs/dbraw/zinc/95/68/19/1123956819.db2.gz RYQZJEBRNGMCRG-BPUTZDHNSA-N 0 3 277.408 3.555 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(C)nc1)c1ccc(C)cc1[O-] ZINC000794809122 1123957198 /nfs/dbraw/zinc/95/71/98/1123957198.db2.gz QKJSMQBMMSOSIV-QGZVFWFLSA-N 0 3 284.403 3.687 20 10 CHCDHN CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794809116 1123957527 /nfs/dbraw/zinc/95/75/27/1123957527.db2.gz QJILAAXDZXXUAD-WBVHZDCISA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794816235 1123959088 /nfs/dbraw/zinc/95/90/88/1123959088.db2.gz YHOKBOGJXJQVOI-CQSZACIVSA-N 0 3 265.397 3.556 20 10 CHCDHN CC[C@H]([NH2+]CC1(SC)CC1)c1ccc(C)cc1[O-] ZINC000794826716 1123962040 /nfs/dbraw/zinc/96/20/40/1123962040.db2.gz DCLJXOGOEXVKHZ-ZDUSSCGKSA-N 0 3 265.422 3.637 20 10 CHCDHN COc1cccc(CNCc2ccc(C(C)(C)C)o2)c1O ZINC000865814891 1124016210 /nfs/dbraw/zinc/01/62/10/1124016210.db2.gz QCFUXZNJGOQMHK-UHFFFAOYSA-N 0 3 289.375 3.581 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cnc(C)s1)c1ccccc1[O-] ZINC000866456235 1124067940 /nfs/dbraw/zinc/06/79/40/1124067940.db2.gz XMWMNXGOQHCXJF-GWCFXTLKSA-N 0 3 276.405 3.959 20 10 CHCDHN CC[C@@H](NCc1ccnc(F)c1)c1ccc(N(C)C)cc1 ZINC000866472980 1124068803 /nfs/dbraw/zinc/06/88/03/1124068803.db2.gz IGKRWTJCXWUBAU-MRXNPFEDSA-N 0 3 287.382 3.528 20 10 CHCDHN C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866480626 1124070929 /nfs/dbraw/zinc/07/09/29/1124070929.db2.gz GNJYAKDBQHCUQL-WMLDXEAASA-N 0 3 289.419 3.782 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CCOC3)c([O-])c1 ZINC000866479320 1124071185 /nfs/dbraw/zinc/07/11/85/1124071185.db2.gz RPQWTJVRAAPHGP-CQSZACIVSA-N 0 3 297.398 3.624 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)o1 ZINC000866479098 1124071313 /nfs/dbraw/zinc/07/13/13/1124071313.db2.gz PSMYDFVTNXTZJQ-TVQRCGJNSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000866479098 1124071317 /nfs/dbraw/zinc/07/13/17/1124071317.db2.gz PSMYDFVTNXTZJQ-TVQRCGJNSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c([O-])c1 ZINC000866513007 1124076204 /nfs/dbraw/zinc/07/62/04/1124076204.db2.gz RADDFZCHHPJQLN-DHSIGJKJSA-N 0 3 289.419 3.556 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccccc1[O-] ZINC000866562727 1124082552 /nfs/dbraw/zinc/08/25/52/1124082552.db2.gz GNWZXAPBGPWMEB-ROUUACIJSA-N 0 3 296.414 3.620 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC000866609369 1124087844 /nfs/dbraw/zinc/08/78/44/1124087844.db2.gz MGQNYFMNROISAI-RAIGVLPGSA-N 0 3 285.309 3.940 20 10 CHCDHN CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000866632681 1124092206 /nfs/dbraw/zinc/09/22/06/1124092206.db2.gz BDAJYNPXXVYDTC-GMXVVIOVSA-N 0 3 285.815 3.554 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCCC(F)F)c2c1c(F)ccc2[O-] ZINC001119607222 1131259620 /nfs/dbraw/zinc/25/96/20/1131259620.db2.gz ZDOJKWLARDQFGJ-PSASIEDQSA-N 0 3 273.298 3.715 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(C(F)F)c1 ZINC000228407877 1124580184 /nfs/dbraw/zinc/58/01/84/1124580184.db2.gz BPEYFNSDBYLQFO-UHFFFAOYSA-N 0 3 263.287 3.620 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](O)c1ccccc1 ZINC000872134421 1124692865 /nfs/dbraw/zinc/69/28/65/1124692865.db2.gz WCJZVVWXUDRNIQ-QANKJYHBSA-N 0 3 285.387 3.555 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CNc3ccccc32)c([O-])c1 ZINC000873236421 1124753174 /nfs/dbraw/zinc/75/31/74/1124753174.db2.gz HBSKRNXTQWRKNL-LSDHHAIUSA-N 0 3 296.414 3.951 20 10 CHCDHN Cc1cc(C[N@H+](C)Cc2ccccc2[O-])c2ccccc2n1 ZINC000124742280 1124810691 /nfs/dbraw/zinc/81/06/91/1124810691.db2.gz BKBSXELOCVFFGX-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1cc(C[N@@H+](C)Cc2ccccc2[O-])c2ccccc2n1 ZINC000124742280 1124810695 /nfs/dbraw/zinc/81/06/95/1124810695.db2.gz BKBSXELOCVFFGX-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccccc1[O-] ZINC000020827441 1124879052 /nfs/dbraw/zinc/87/90/52/1124879052.db2.gz MVAPOAAEKPPJKF-INIZCTEOSA-N 0 3 298.430 3.565 20 10 CHCDHN CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])N(C)C ZINC000021521146 1124932701 /nfs/dbraw/zinc/93/27/01/1124932701.db2.gz XHCKRADYTMRTNU-RHSMWYFYSA-N 0 3 292.467 3.718 20 10 CHCDHN COc1ccccc1[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876758218 1124975078 /nfs/dbraw/zinc/97/50/78/1124975078.db2.gz JWAUWHSYTCMKIO-OAHLLOKOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1ccccc1[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876758218 1124975083 /nfs/dbraw/zinc/97/50/83/1124975083.db2.gz JWAUWHSYTCMKIO-OAHLLOKOSA-N 0 3 297.398 3.699 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000876886175 1124986623 /nfs/dbraw/zinc/98/66/23/1124986623.db2.gz RZZAWJRRQURHFI-QGZVFWFLSA-N 0 3 267.372 3.868 20 10 CHCDHN CC[C@H](NCc1c(C)cccc1O)c1nc(C)cs1 ZINC000877025222 1125000271 /nfs/dbraw/zinc/00/02/71/1125000271.db2.gz DEAIIXMHBGAXBT-ZDUSSCGKSA-N 0 3 276.405 3.706 20 10 CHCDHN Cc1ccc(CN[C@@H]2COc3c2cccc3Cl)c(O)c1 ZINC000877094217 1125007742 /nfs/dbraw/zinc/00/77/42/1125007742.db2.gz IDNWORCVNLDCTJ-CQSZACIVSA-N 0 3 289.762 3.577 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c([O-])c1 ZINC000877133651 1125013536 /nfs/dbraw/zinc/01/35/36/1125013536.db2.gz FUJLSVVXKLLCPK-HKUYNNGSSA-N 0 3 297.398 3.568 20 10 CHCDHN CSc1cccc(F)c1CNCc1c(C)cccc1O ZINC000877514715 1125035759 /nfs/dbraw/zinc/03/57/59/1125035759.db2.gz OLRDXPXDEXWOFJ-UHFFFAOYSA-N 0 3 291.391 3.851 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000877728549 1125068969 /nfs/dbraw/zinc/06/89/69/1125068969.db2.gz GGHLUBSVLPDAKA-GXTWGEPZSA-N 0 3 299.336 3.935 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c([O-])c1 ZINC000877729151 1125069971 /nfs/dbraw/zinc/06/99/71/1125069971.db2.gz NORXLUDIOIJSIM-GXTWGEPZSA-N 0 3 299.336 3.935 20 10 CHCDHN CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])CS1 ZINC000877755650 1125071490 /nfs/dbraw/zinc/07/14/90/1125071490.db2.gz JRPUOBGIXFNZLH-XUJVJEKNSA-N 0 3 265.422 3.573 20 10 CHCDHN Cc1cc(O)c(C[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000877756246 1125071853 /nfs/dbraw/zinc/07/18/53/1125071853.db2.gz ASIDICSPMBZAPU-CYBMUJFWSA-N 0 3 271.360 3.565 20 10 CHCDHN Cc1ccc(C)c(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000877756489 1125072487 /nfs/dbraw/zinc/07/24/87/1125072487.db2.gz MCBIUMXLCLAUMP-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN CCc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1O ZINC000877755973 1125073527 /nfs/dbraw/zinc/07/35/27/1125073527.db2.gz VPIHDSPFQTYOPJ-GFCCVEGCSA-N 0 3 271.360 3.511 20 10 CHCDHN Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1F ZINC000877758101 1125075029 /nfs/dbraw/zinc/07/50/29/1125075029.db2.gz IUXAZDWOONFFMC-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccccc1[O-] ZINC000878354162 1125143375 /nfs/dbraw/zinc/14/33/75/1125143375.db2.gz DAGZETWPKPKODT-VXGBXAGGSA-N 0 3 269.335 3.868 20 10 CHCDHN C[C@@H](NCc1cc(C(F)(F)F)co1)c1ccccc1O ZINC000879650327 1125223873 /nfs/dbraw/zinc/22/38/73/1125223873.db2.gz UXLDOOHTEJBBSK-SECBINFHSA-N 0 3 285.265 3.855 20 10 CHCDHN C[C@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1O ZINC000879650824 1125224630 /nfs/dbraw/zinc/22/46/30/1125224630.db2.gz RGQJWNTZYHFHRO-JTQLQIEISA-N 0 3 296.292 3.657 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2C)c1[O-] ZINC000228666486 1125251152 /nfs/dbraw/zinc/25/11/52/1125251152.db2.gz ILXDMJHDZSHKHQ-LLVKDONJSA-N 0 3 283.799 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C)c1[O-] ZINC000228666486 1125251156 /nfs/dbraw/zinc/25/11/56/1125251156.db2.gz ILXDMJHDZSHKHQ-LLVKDONJSA-N 0 3 283.799 3.819 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C)C2)c1[O-] ZINC000783710099 1125285730 /nfs/dbraw/zinc/28/57/30/1125285730.db2.gz JNSWVPRREQEBDK-RNCFNFMXSA-N 0 3 298.224 3.741 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CC)CC2)c1[O-] ZINC000211463215 1125306448 /nfs/dbraw/zinc/30/64/48/1125306448.db2.gz UQIJAZZCNZPCSH-CQSZACIVSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CC)CC2)c1[O-] ZINC000211463215 1125306452 /nfs/dbraw/zinc/30/64/52/1125306452.db2.gz UQIJAZZCNZPCSH-CQSZACIVSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC(CC)(CC)C2)c1[O-] ZINC000211558716 1125308611 /nfs/dbraw/zinc/30/86/11/1125308611.db2.gz QOPYAXVAGBPUIQ-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC(CC)(CC)C2)c1[O-] ZINC000211558716 1125308616 /nfs/dbraw/zinc/30/86/16/1125308616.db2.gz QOPYAXVAGBPUIQ-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000883353281 1125400040 /nfs/dbraw/zinc/40/00/40/1125400040.db2.gz RNIGAGAPSNQZEG-XIRDDKMYSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(C)cc1[O-] ZINC000883381118 1125406414 /nfs/dbraw/zinc/40/64/14/1125406414.db2.gz GWYRFCRPWVJANF-INIZCTEOSA-N 0 3 289.419 3.701 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)C2CCCCC2)c1[O-] ZINC000131773603 1125409583 /nfs/dbraw/zinc/40/95/83/1125409583.db2.gz QZHSSGGZWALFEH-UHFFFAOYSA-N 0 3 277.408 3.946 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)C2CCCCC2)c1[O-] ZINC000131773603 1125409585 /nfs/dbraw/zinc/40/95/85/1125409585.db2.gz QZHSSGGZWALFEH-UHFFFAOYSA-N 0 3 277.408 3.946 20 10 CHCDHN C[C@H](CCc1ccco1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295989590 1129220549 /nfs/dbraw/zinc/22/05/49/1129220549.db2.gz NRRIJSUUFWAVEG-IUODEOHRSA-N 0 3 271.360 3.583 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cccc(Cl)c1)CC2 ZINC000296183021 1129220678 /nfs/dbraw/zinc/22/06/78/1129220678.db2.gz YFGLCEBBJZHQFU-AWEZNQCLSA-N 0 3 273.763 3.823 20 10 CHCDHN COc1ccc([C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296237673 1129221081 /nfs/dbraw/zinc/22/10/81/1129221081.db2.gz APXKFXPAMUNGCB-LRDDRELGSA-N 0 3 283.371 3.739 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccccc1[O-] ZINC000296443377 1129222396 /nfs/dbraw/zinc/22/23/96/1129222396.db2.gz ZQTLIROAQIFPBA-NWDGAFQWSA-N 0 3 269.335 3.868 20 10 CHCDHN CSC(C)(C)C[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001258347585 1129232397 /nfs/dbraw/zinc/23/23/97/1129232397.db2.gz XGYSWVBEPDCKJX-LBPRGKRZSA-N 0 3 267.438 3.744 20 10 CHCDHN CSC(C)(C)C[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001258347585 1129232399 /nfs/dbraw/zinc/23/23/99/1129232399.db2.gz XGYSWVBEPDCKJX-LBPRGKRZSA-N 0 3 267.438 3.744 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccccc2F)c1 ZINC000037764023 1129266900 /nfs/dbraw/zinc/26/69/00/1129266900.db2.gz AAZYFEFHCYGLKS-NEPJUHHUSA-N 0 3 289.350 3.952 20 10 CHCDHN C[C@H]1SCC[N@H+](Cc2c([O-])ccc3ccccc32)[C@H]1C ZINC000735668130 1129355842 /nfs/dbraw/zinc/35/58/42/1129355842.db2.gz POLZXCWPNSQWGK-QWHCGFSZSA-N 0 3 287.428 3.871 20 10 CHCDHN C[C@H]1SCC[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H]1C ZINC000735668130 1129355846 /nfs/dbraw/zinc/35/58/46/1129355846.db2.gz POLZXCWPNSQWGK-QWHCGFSZSA-N 0 3 287.428 3.871 20 10 CHCDHN C[C@H]1C[C@H]1c1ccc(CN(C)Cc2ccccc2O)o1 ZINC000091974434 1129376263 /nfs/dbraw/zinc/37/62/63/1129376263.db2.gz QFRVYBNEOQMGLH-SWLSCSKDSA-N 0 3 271.360 3.741 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])C12CCC2 ZINC000248894976 1129430698 /nfs/dbraw/zinc/43/06/98/1129430698.db2.gz UPNGIJQUSVSVEX-BHYGNILZSA-N 0 3 289.419 3.781 20 10 CHCDHN C[C@H](Cc1cccs1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617298 1129448490 /nfs/dbraw/zinc/44/84/90/1129448490.db2.gz HLCODAGVIVTZCQ-GHMZBOCLSA-N 0 3 279.380 3.875 20 10 CHCDHN C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617295 1129448568 /nfs/dbraw/zinc/44/85/68/1129448568.db2.gz HLCODAGVIVTZCQ-QWRGUYRKSA-N 0 3 279.380 3.875 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC1(Cl)Cl ZINC000743869855 1129541897 /nfs/dbraw/zinc/54/18/97/1129541897.db2.gz CODHIQIETJJYJE-GFCCVEGCSA-N 0 3 288.218 3.798 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC1(Cl)Cl ZINC000743869855 1129541900 /nfs/dbraw/zinc/54/19/00/1129541900.db2.gz CODHIQIETJJYJE-GFCCVEGCSA-N 0 3 288.218 3.798 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000252871512 1129599817 /nfs/dbraw/zinc/59/98/17/1129599817.db2.gz UOJRBWXJCDTQKG-WDEREUQCSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000252871512 1129599819 /nfs/dbraw/zinc/59/98/19/1129599819.db2.gz UOJRBWXJCDTQKG-WDEREUQCSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1[O-] ZINC000822494927 1131384804 /nfs/dbraw/zinc/38/48/04/1131384804.db2.gz YRILEONEXYSPDB-FZMZJTMJSA-N 0 3 295.810 3.580 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(C)ccc2F)c1 ZINC000828681688 1131396129 /nfs/dbraw/zinc/39/61/29/1131396129.db2.gz FRZLUEFFWKZSGU-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN C[C@H]1CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796525768 1129772874 /nfs/dbraw/zinc/77/28/74/1129772874.db2.gz FVDPHERHQKOKLB-GUYCJALGSA-N 0 3 267.372 3.947 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]Cc2cc(C)cs2)c1[O-] ZINC000380841115 1129833181 /nfs/dbraw/zinc/83/31/81/1129833181.db2.gz XSZYOWWMDHMESE-UHFFFAOYSA-N 0 3 297.807 3.714 20 10 CHCDHN CCOc1ccc(C[NH+]2CCCCCCC2)c([O-])c1 ZINC000768142331 1129833239 /nfs/dbraw/zinc/83/32/39/1129833239.db2.gz AYQODHSUTVEFIC-UHFFFAOYSA-N 0 3 263.381 3.557 20 10 CHCDHN Cc1cscc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381000622 1129834670 /nfs/dbraw/zinc/83/46/70/1129834670.db2.gz IAGMHNBEYFPVLP-ZDUSSCGKSA-N 0 3 259.374 3.539 20 10 CHCDHN CCN(Cc1ccc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000768134895 1129835220 /nfs/dbraw/zinc/83/52/20/1129835220.db2.gz XGWMIGZHDHJHKF-UHFFFAOYSA-N 0 3 272.392 3.676 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000381322874 1129837056 /nfs/dbraw/zinc/83/70/56/1129837056.db2.gz GLHXQOAXZUCJOW-MNOVXSKESA-N 0 3 255.308 3.539 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000768194816 1129842077 /nfs/dbraw/zinc/84/20/77/1129842077.db2.gz FFHNPVKEOBHAGR-ZDUSSCGKSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000768194816 1129842084 /nfs/dbraw/zinc/84/20/84/1129842084.db2.gz FFHNPVKEOBHAGR-ZDUSSCGKSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1ccccc1CN(Cc1cc(C)ccc1O)C1CC1 ZINC000768253039 1129847504 /nfs/dbraw/zinc/84/75/04/1129847504.db2.gz WKMQARRSTFFAMT-UHFFFAOYSA-N 0 3 297.398 3.874 20 10 CHCDHN Cc1ccc(CN(C)Cc2cc(C)c(C)cc2O)o1 ZINC000119654105 1129848755 /nfs/dbraw/zinc/84/87/55/1129848755.db2.gz NVBDZKBFAAORKS-UHFFFAOYSA-N 0 3 259.349 3.542 20 10 CHCDHN COC[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000768541519 1129862042 /nfs/dbraw/zinc/86/20/42/1129862042.db2.gz ORSHMNSCFTWTLP-ZDUSSCGKSA-N 0 3 297.826 3.603 20 10 CHCDHN COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000768541519 1129862048 /nfs/dbraw/zinc/86/20/48/1129862048.db2.gz ORSHMNSCFTWTLP-ZDUSSCGKSA-N 0 3 297.826 3.603 20 10 CHCDHN Cc1cc(CN[C@H](C)c2cn[nH]c2)ccc1N1CCCCC1 ZINC000828858060 1131402825 /nfs/dbraw/zinc/40/28/25/1131402825.db2.gz NAGCINMYODVGLY-OAHLLOKOSA-N 0 3 298.434 3.559 20 10 CHCDHN CC[N@H+](CCc1cccs1)Cc1c([O-])cccc1OC ZINC000768760890 1129870155 /nfs/dbraw/zinc/87/01/55/1129870155.db2.gz SAHCYGMHFJICGU-UHFFFAOYSA-N 0 3 291.416 3.527 20 10 CHCDHN CC[N@@H+](CCc1cccs1)Cc1c([O-])cccc1OC ZINC000768760890 1129870163 /nfs/dbraw/zinc/87/01/63/1129870163.db2.gz SAHCYGMHFJICGU-UHFFFAOYSA-N 0 3 291.416 3.527 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000769317925 1129902045 /nfs/dbraw/zinc/90/20/45/1129902045.db2.gz ATMRIYFECMRIJX-AWEZNQCLSA-N 0 3 285.387 3.636 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000769317925 1129902046 /nfs/dbraw/zinc/90/20/46/1129902046.db2.gz ATMRIYFECMRIJX-AWEZNQCLSA-N 0 3 285.387 3.636 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c([O-])c1 ZINC000800992818 1129902960 /nfs/dbraw/zinc/90/29/60/1129902960.db2.gz TUKXXJYMZOGNIH-BEFAXECRSA-N 0 3 299.414 3.702 20 10 CHCDHN C[C@H]1COCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769458227 1129911924 /nfs/dbraw/zinc/91/19/24/1129911924.db2.gz YXXNXEXMVILISQ-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN C[C@H]1COCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769458227 1129911925 /nfs/dbraw/zinc/91/19/25/1129911925.db2.gz YXXNXEXMVILISQ-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN CCCC[N@H+](CC[C@@H]1CCCCO1)Cc1ccccc1[O-] ZINC000801594652 1129931230 /nfs/dbraw/zinc/93/12/30/1129931230.db2.gz JFEQLSARJZIKHU-KRWDZBQOSA-N 0 3 291.435 3.954 20 10 CHCDHN CCCC[N@@H+](CC[C@@H]1CCCCO1)Cc1ccccc1[O-] ZINC000801594652 1129931232 /nfs/dbraw/zinc/93/12/32/1129931232.db2.gz JFEQLSARJZIKHU-KRWDZBQOSA-N 0 3 291.435 3.954 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC000802302782 1129990724 /nfs/dbraw/zinc/99/07/24/1129990724.db2.gz SCPXJYJYZXHVIJ-COXVUDFISA-N 0 3 267.372 3.674 20 10 CHCDHN CN(C)c1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000771937339 1129997304 /nfs/dbraw/zinc/99/73/04/1129997304.db2.gz ASSSDRHKOURLNT-GOSISDBHSA-N 0 3 266.388 3.700 20 10 CHCDHN COc1cccc(C[N@H+](C)[C@H](C)C2CCCCC2)c1[O-] ZINC000802658900 1130027937 /nfs/dbraw/zinc/02/79/37/1130027937.db2.gz KYRPGKSZSYYJNP-CYBMUJFWSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc(C[N@@H+](C)[C@H](C)C2CCCCC2)c1[O-] ZINC000802658900 1130027943 /nfs/dbraw/zinc/02/79/43/1130027943.db2.gz KYRPGKSZSYYJNP-CYBMUJFWSA-N 0 3 277.408 3.801 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc2c(c1)CCO2 ZINC000903235237 1130134317 /nfs/dbraw/zinc/13/43/17/1130134317.db2.gz VTSOZLXUAJTAQP-MLGOLLRUSA-N 0 3 295.382 3.665 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)c1ccccc1[O-] ZINC000903247359 1130136319 /nfs/dbraw/zinc/13/63/19/1130136319.db2.gz UZGCHJRLFYZVDR-ZIAGYGMSSA-N 0 3 277.408 3.638 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCOC12CCCCC2)c1ccccc1[O-] ZINC000903274195 1130142554 /nfs/dbraw/zinc/14/25/54/1130142554.db2.gz JPDFFQUFANDSPR-BBRMVZONSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)c1ccc(C)cc1[O-] ZINC000903331435 1130157800 /nfs/dbraw/zinc/15/78/00/1130157800.db2.gz NKVFDZSRPHRVEP-TZMCWYRMSA-N 0 3 265.397 3.555 20 10 CHCDHN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccccc1[O-] ZINC000903337543 1130161338 /nfs/dbraw/zinc/16/13/38/1130161338.db2.gz DUOHKGNOIDCJOT-SJKOYZFVSA-N 0 3 268.360 3.589 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc(C)cc1[O-] ZINC000903387065 1130169810 /nfs/dbraw/zinc/16/98/10/1130169810.db2.gz FUBJOUGOWMTRLJ-WBVHZDCISA-N 0 3 289.419 3.843 20 10 CHCDHN C[C@@H]1C[C@H]1C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000788444034 1130186961 /nfs/dbraw/zinc/18/69/61/1130186961.db2.gz WOYVJIFKGLJCDY-HIFRSBDPSA-N 0 3 271.360 3.643 20 10 CHCDHN C[C@@H]1C[C@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000788444034 1130186964 /nfs/dbraw/zinc/18/69/64/1130186964.db2.gz WOYVJIFKGLJCDY-HIFRSBDPSA-N 0 3 271.360 3.643 20 10 CHCDHN CC1(C)Nc2ccccc2[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000903947638 1130211204 /nfs/dbraw/zinc/21/12/04/1130211204.db2.gz DAVITLTXOKTTMY-SFHVURJKSA-N 0 3 294.398 3.657 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2ccco2)CC1 ZINC000826877373 1130303942 /nfs/dbraw/zinc/30/39/42/1130303942.db2.gz FWIDDNOOWFPFNW-UHFFFAOYSA-N 0 3 275.323 3.504 20 10 CHCDHN COCC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000790652209 1130325760 /nfs/dbraw/zinc/32/57/60/1130325760.db2.gz ICVFRUACKONASB-UHFFFAOYSA-N 0 3 297.398 3.718 20 10 CHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C2CC2)O1 ZINC000793214621 1130530980 /nfs/dbraw/zinc/53/09/80/1130530980.db2.gz PPHDCZPPVDQRFJ-DJJJIMSYSA-N 0 3 297.398 3.545 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C2CC2)O1 ZINC000793214621 1130530983 /nfs/dbraw/zinc/53/09/83/1130530983.db2.gz PPHDCZPPVDQRFJ-DJJJIMSYSA-N 0 3 297.398 3.545 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000793390907 1130552162 /nfs/dbraw/zinc/55/21/62/1130552162.db2.gz UXNHWRZUJJKRRZ-LLVKDONJSA-N 0 3 299.361 3.704 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)CCc2cccc(C)c2)c([O-])c1 ZINC000793387498 1130552402 /nfs/dbraw/zinc/55/24/02/1130552402.db2.gz FQPKPSVNEIJFJE-HNNXBMFYSA-N 0 3 299.414 3.820 20 10 CHCDHN CCCC[C@H](C)[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000811520379 1130615384 /nfs/dbraw/zinc/61/53/84/1130615384.db2.gz NWKHJYFKUBKYQI-ZDUSSCGKSA-N 0 3 265.397 3.801 20 10 CHCDHN CCCC[C@H](C)[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000811520379 1130615386 /nfs/dbraw/zinc/61/53/86/1130615386.db2.gz NWKHJYFKUBKYQI-ZDUSSCGKSA-N 0 3 265.397 3.801 20 10 CHCDHN Cc1cc(Cl)cc(CN2CCC(F)(F)[C@H](C)C2)c1O ZINC000811512031 1130618195 /nfs/dbraw/zinc/61/81/95/1130618195.db2.gz BVWYPCSBCUMTGP-SNVBAGLBSA-N 0 3 289.753 3.831 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000780520430 1130682230 /nfs/dbraw/zinc/68/22/30/1130682230.db2.gz PEPGULUMPWCKII-YOEHRIQHSA-N 0 3 285.362 3.957 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])[C@H](C)CO1 ZINC001234999507 1130699864 /nfs/dbraw/zinc/69/98/64/1130699864.db2.gz WEMQCZQAVLEXNS-HUUCEWRRSA-N 0 3 297.398 3.668 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])[C@H](C)CO1 ZINC001234999507 1130699865 /nfs/dbraw/zinc/69/98/65/1130699865.db2.gz WEMQCZQAVLEXNS-HUUCEWRRSA-N 0 3 297.398 3.668 20 10 CHCDHN CC(C)[N@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993220 1130700521 /nfs/dbraw/zinc/70/05/21/1130700521.db2.gz XFHDOTAQSNNUDM-UHFFFAOYSA-N 0 3 255.361 3.899 20 10 CHCDHN CC(C)[N@@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993220 1130700526 /nfs/dbraw/zinc/70/05/26/1130700526.db2.gz XFHDOTAQSNNUDM-UHFFFAOYSA-N 0 3 255.361 3.899 20 10 CHCDHN CSCC[N@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234999376 1130701522 /nfs/dbraw/zinc/70/15/22/1130701522.db2.gz UWYZEBJBDZBZSQ-UHFFFAOYSA-N 0 3 287.428 3.854 20 10 CHCDHN CSCC[N@@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234999376 1130701528 /nfs/dbraw/zinc/70/15/28/1130701528.db2.gz UWYZEBJBDZBZSQ-UHFFFAOYSA-N 0 3 287.428 3.854 20 10 CHCDHN C=Cc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000812733869 1130710076 /nfs/dbraw/zinc/71/00/76/1130710076.db2.gz COIPANGHZAHWDC-CQSZACIVSA-N 0 3 267.372 3.929 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1ccccc1[O-] ZINC000812738551 1130710350 /nfs/dbraw/zinc/71/03/50/1130710350.db2.gz VROPYGGCBGQBDX-INIZCTEOSA-N 0 3 295.386 3.520 20 10 CHCDHN C[C@@H]1C[C@@H](F)CN1Cc1ccc(C(C)(C)C)cc1O ZINC001235676060 1130766281 /nfs/dbraw/zinc/76/62/81/1130766281.db2.gz OXDFVNSYQCLSLY-BXUZGUMPSA-N 0 3 265.372 3.622 20 10 CHCDHN C[N@@H+](CCc1ccncc1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235684716 1130768455 /nfs/dbraw/zinc/76/84/55/1130768455.db2.gz IMFWQSDHFYXNFY-UHFFFAOYSA-N 0 3 298.430 3.759 20 10 CHCDHN C[N@H+](CCc1ccncc1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235684716 1130768449 /nfs/dbraw/zinc/76/84/49/1130768449.db2.gz IMFWQSDHFYXNFY-UHFFFAOYSA-N 0 3 298.430 3.759 20 10 CHCDHN Cc1cc(O)c(CN2Cc3ccccc3OC[C@H]2C)cc1C ZINC000782288980 1130768814 /nfs/dbraw/zinc/76/88/14/1130768814.db2.gz KYRMLIPRSVXMRU-OAHLLOKOSA-N 0 3 297.398 3.792 20 10 CHCDHN C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccccc1[O-] ZINC000783514452 1130832844 /nfs/dbraw/zinc/83/28/44/1130832844.db2.gz PZEHKEDZJKUEOO-GFCCVEGCSA-N 0 3 298.361 3.906 20 10 CHCDHN Cc1ccsc1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783524765 1130834343 /nfs/dbraw/zinc/83/43/43/1130834343.db2.gz AKFJGZGQZJQHCS-LBPRGKRZSA-N 0 3 261.390 3.655 20 10 CHCDHN C[C@@H](C[N@H+](C)Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000783535076 1130835592 /nfs/dbraw/zinc/83/55/92/1130835592.db2.gz LPEPMWCOEWIXCE-ZDUSSCGKSA-N 0 3 273.351 3.767 20 10 CHCDHN C[C@@H](C[N@@H+](C)Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000783535076 1130835599 /nfs/dbraw/zinc/83/55/99/1130835599.db2.gz LPEPMWCOEWIXCE-ZDUSSCGKSA-N 0 3 273.351 3.767 20 10 CHCDHN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000784640495 1130914588 /nfs/dbraw/zinc/91/45/88/1130914588.db2.gz PGSZWINAANMFGH-IFXJQAMLSA-N 0 3 297.398 3.716 20 10 CHCDHN CCCC[N@H+](CCC1(OC)CCC1)Cc1ccccc1[O-] ZINC000815112611 1130957194 /nfs/dbraw/zinc/95/71/94/1130957194.db2.gz VSZQRKUYQIXUGQ-UHFFFAOYSA-N 0 3 291.435 3.954 20 10 CHCDHN CCCC[N@@H+](CCC1(OC)CCC1)Cc1ccccc1[O-] ZINC000815112611 1130957198 /nfs/dbraw/zinc/95/71/98/1130957198.db2.gz VSZQRKUYQIXUGQ-UHFFFAOYSA-N 0 3 291.435 3.954 20 10 CHCDHN CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1[O-] ZINC000797070354 1130958504 /nfs/dbraw/zinc/95/85/04/1130958504.db2.gz KYKLRKJRBYQCRJ-NSHDSACASA-N 0 3 273.298 3.775 20 10 CHCDHN CCN(C)c1ccc(CN2CCCc3occc3C2)cc1 ZINC000815119864 1130958956 /nfs/dbraw/zinc/95/89/56/1130958956.db2.gz ISCQYOMRNXLSSB-UHFFFAOYSA-N 0 3 284.403 3.684 20 10 CHCDHN CCc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001236782399 1131006264 /nfs/dbraw/zinc/00/62/64/1131006264.db2.gz AWILQXNKSMIQJL-HUUCEWRRSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(CN2CCc3cc(F)ccc3C2)c(O)c1 ZINC001236793562 1131008242 /nfs/dbraw/zinc/00/82/42/1131008242.db2.gz YZCWBENBDCSTBF-UHFFFAOYSA-N 0 3 285.362 3.652 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001236811646 1131010621 /nfs/dbraw/zinc/01/06/21/1131010621.db2.gz UQHPHSDXTQZLPG-RHSMWYFYSA-N 0 3 289.419 3.864 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001236811646 1131010626 /nfs/dbraw/zinc/01/06/26/1131010626.db2.gz UQHPHSDXTQZLPG-RHSMWYFYSA-N 0 3 289.419 3.864 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001236808101 1131011943 /nfs/dbraw/zinc/01/19/43/1131011943.db2.gz MILJZUPAHZFALX-LBPRGKRZSA-N 0 3 299.361 3.576 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001236808101 1131011949 /nfs/dbraw/zinc/01/19/49/1131011949.db2.gz MILJZUPAHZFALX-LBPRGKRZSA-N 0 3 299.361 3.576 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)CCCc2ccccc2)c([O-])c1 ZINC001236814008 1131014468 /nfs/dbraw/zinc/01/44/68/1131014468.db2.gz NWYSUDCRPAXZRI-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)CCCc2ccccc2)c([O-])c1 ZINC001236814008 1131014478 /nfs/dbraw/zinc/01/44/78/1131014478.db2.gz NWYSUDCRPAXZRI-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN C[C@@]1(CF)CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236827847 1131015786 /nfs/dbraw/zinc/01/57/86/1131015786.db2.gz VUAIVEKVHSNQBR-KRWDZBQOSA-N 0 3 273.351 3.727 20 10 CHCDHN C[C@@]1(CF)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236827847 1131015792 /nfs/dbraw/zinc/01/57/92/1131015792.db2.gz VUAIVEKVHSNQBR-KRWDZBQOSA-N 0 3 273.351 3.727 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C(C)(C)O ZINC000815651723 1131017541 /nfs/dbraw/zinc/01/75/41/1131017541.db2.gz BIVDRHYQIRHYRX-GWCFXTLKSA-N 0 3 285.815 3.554 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001236834072 1131018234 /nfs/dbraw/zinc/01/82/34/1131018234.db2.gz TWUXALYQVRCKMT-MRXNPFEDSA-N 0 3 289.325 3.777 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001236834072 1131018239 /nfs/dbraw/zinc/01/82/39/1131018239.db2.gz TWUXALYQVRCKMT-MRXNPFEDSA-N 0 3 289.325 3.777 20 10 CHCDHN C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236840895 1131021881 /nfs/dbraw/zinc/02/18/81/1131021881.db2.gz SCTAEUKXWBNTFU-ZDUSSCGKSA-N 0 3 255.361 3.777 20 10 CHCDHN C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236840895 1131021884 /nfs/dbraw/zinc/02/18/84/1131021884.db2.gz SCTAEUKXWBNTFU-ZDUSSCGKSA-N 0 3 255.361 3.777 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](CF)C2)c([O-])c1 ZINC001237049669 1131039312 /nfs/dbraw/zinc/03/93/12/1131039312.db2.gz QXULLEFUMKUFQC-CYBMUJFWSA-N 0 3 265.372 3.697 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](CF)C2)c([O-])c1 ZINC001237049669 1131039318 /nfs/dbraw/zinc/03/93/18/1131039318.db2.gz QXULLEFUMKUFQC-CYBMUJFWSA-N 0 3 265.372 3.697 20 10 CHCDHN CCOc1ccc(C[N@H+](C)CCc2ccc(C)cc2)c([O-])c1 ZINC001237045234 1131039540 /nfs/dbraw/zinc/03/95/40/1131039540.db2.gz ZTULXUPIBYGGGL-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)CCc2ccc(C)cc2)c([O-])c1 ZINC001237045234 1131039545 /nfs/dbraw/zinc/03/95/45/1131039545.db2.gz ZTULXUPIBYGGGL-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CC(C)c1ccc(CN2CCC[C@](C)(F)C2)c(O)c1 ZINC001237045428 1131040142 /nfs/dbraw/zinc/04/01/42/1131040142.db2.gz KNWPTGXLWXOXMM-INIZCTEOSA-N 0 3 265.372 3.840 20 10 CHCDHN CCC[N@H+](CC)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237050564 1131040480 /nfs/dbraw/zinc/04/04/80/1131040480.db2.gz CKJYSTLBSFQWEC-UHFFFAOYSA-N 0 3 291.313 3.565 20 10 CHCDHN CCC[N@@H+](CC)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237050564 1131040486 /nfs/dbraw/zinc/04/04/86/1131040486.db2.gz CKJYSTLBSFQWEC-UHFFFAOYSA-N 0 3 291.313 3.565 20 10 CHCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H](C)C1 ZINC001237051518 1131040615 /nfs/dbraw/zinc/04/06/15/1131040615.db2.gz MKYPJHDSPMRPIK-XJKSGUPXSA-N 0 3 277.408 3.515 20 10 CHCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H](C)C1 ZINC001237051518 1131040621 /nfs/dbraw/zinc/04/06/21/1131040621.db2.gz MKYPJHDSPMRPIK-XJKSGUPXSA-N 0 3 277.408 3.515 20 10 CHCDHN CC(C)c1ccc(C[N@H+](C)C[C@H]2CC2(C)C)c([O-])c1 ZINC001237050205 1131041459 /nfs/dbraw/zinc/04/14/59/1131041459.db2.gz YTNFIDLPGGLUPX-OAHLLOKOSA-N 0 3 261.409 3.994 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)c([O-])c1 ZINC001237050205 1131041464 /nfs/dbraw/zinc/04/14/64/1131041464.db2.gz YTNFIDLPGGLUPX-OAHLLOKOSA-N 0 3 261.409 3.994 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c([O-])c1 ZINC001237044836 1131041878 /nfs/dbraw/zinc/04/18/78/1131041878.db2.gz DYCVPOQZQLHHQQ-GOSISDBHSA-N 0 3 291.435 3.500 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(CO)CC2)c([O-])c1 ZINC001237044836 1131041882 /nfs/dbraw/zinc/04/18/82/1131041882.db2.gz DYCVPOQZQLHHQQ-GOSISDBHSA-N 0 3 291.435 3.500 20 10 CHCDHN CC[C@H](C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237052240 1131042357 /nfs/dbraw/zinc/04/23/57/1131042357.db2.gz REPNKUKHFPFPJW-JTQLQIEISA-N 0 3 291.313 3.564 20 10 CHCDHN CC[C@H](C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237052240 1131042361 /nfs/dbraw/zinc/04/23/61/1131042361.db2.gz REPNKUKHFPFPJW-JTQLQIEISA-N 0 3 291.313 3.564 20 10 CHCDHN C[C@@]1(CF)CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237135526 1131054584 /nfs/dbraw/zinc/05/45/84/1131054584.db2.gz JGUQVRAZASRHRI-ZDUSSCGKSA-N 0 3 291.288 3.593 20 10 CHCDHN C[C@@]1(CF)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237135526 1131054591 /nfs/dbraw/zinc/05/45/91/1131054591.db2.gz JGUQVRAZASRHRI-ZDUSSCGKSA-N 0 3 291.288 3.593 20 10 CHCDHN C[C@@]1(CF)CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237135526 1131054597 /nfs/dbraw/zinc/05/45/97/1131054597.db2.gz JGUQVRAZASRHRI-ZDUSSCGKSA-N 0 3 291.288 3.593 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1CCC2(CC2)CC1 ZINC001237136300 1131055960 /nfs/dbraw/zinc/05/59/60/1131055960.db2.gz QMZBAFGOLBUOGN-UHFFFAOYSA-N 0 3 285.309 3.787 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001237486682 1131103736 /nfs/dbraw/zinc/10/37/36/1131103736.db2.gz BLENNIGVFXBISO-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001237486682 1131103739 /nfs/dbraw/zinc/10/37/39/1131103739.db2.gz BLENNIGVFXBISO-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001237490643 1131104020 /nfs/dbraw/zinc/10/40/20/1131104020.db2.gz YNOPNAOEMGDVNV-QGZVFWFLSA-N 0 3 281.399 3.765 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001237490643 1131104023 /nfs/dbraw/zinc/10/40/23/1131104023.db2.gz YNOPNAOEMGDVNV-QGZVFWFLSA-N 0 3 281.399 3.765 20 10 CHCDHN COc1ccc([C@H](C)[N@H+](C)Cc2c(C)cccc2[O-])cc1 ZINC001237487370 1131105016 /nfs/dbraw/zinc/10/50/16/1131105016.db2.gz IFRYMNGHPBAQLB-AWEZNQCLSA-N 0 3 285.387 3.902 20 10 CHCDHN COc1ccc([C@H](C)[N@@H+](C)Cc2c(C)cccc2[O-])cc1 ZINC001237487370 1131105019 /nfs/dbraw/zinc/10/50/19/1131105019.db2.gz IFRYMNGHPBAQLB-AWEZNQCLSA-N 0 3 285.387 3.902 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CCCC23CCCC3)c([O-])c1 ZINC000816597257 1131114894 /nfs/dbraw/zinc/11/48/94/1131114894.db2.gz KZRUTJWPKVSFSW-MRXNPFEDSA-N 0 3 275.392 3.603 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000816619176 1131116541 /nfs/dbraw/zinc/11/65/41/1131116541.db2.gz VOYRCSAZSVGZEG-QGZVFWFLSA-N 0 3 285.362 3.815 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+](C)C2CC(C)C2)cc1Br ZINC001237676092 1131126382 /nfs/dbraw/zinc/12/63/82/1131126382.db2.gz FABVNQLKUNEJAI-UHFFFAOYSA-N 0 3 298.224 3.693 20 10 CHCDHN Cc1cc([O-])c(C[N@H+](C)C2CC(C)C2)cc1Br ZINC001237676092 1131126384 /nfs/dbraw/zinc/12/63/84/1131126384.db2.gz FABVNQLKUNEJAI-UHFFFAOYSA-N 0 3 298.224 3.693 20 10 CHCDHN CCC[N@H+](Cc1cc(F)cc(C)c1[O-])[C@H](C)CC ZINC001238056218 1131164984 /nfs/dbraw/zinc/16/49/84/1131164984.db2.gz FUEJGUPMEQNRRJ-GFCCVEGCSA-N 0 3 253.361 3.850 20 10 CHCDHN CCC[N@@H+](Cc1cc(F)cc(C)c1[O-])[C@H](C)CC ZINC001238056218 1131164987 /nfs/dbraw/zinc/16/49/87/1131164987.db2.gz FUEJGUPMEQNRRJ-GFCCVEGCSA-N 0 3 253.361 3.850 20 10 CHCDHN Cc1cc(F)cc(CN2CCc3c(C)cccc3C2)c1O ZINC001238056146 1131165515 /nfs/dbraw/zinc/16/55/15/1131165515.db2.gz DXDHUAHLZGLYBJ-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)CCc2cccc(F)c2)c1[O-] ZINC001238064417 1131166613 /nfs/dbraw/zinc/16/66/13/1131166613.db2.gz CJZGTJAPPLAKRX-UHFFFAOYSA-N 0 3 291.341 3.653 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)CCc2cccc(F)c2)c1[O-] ZINC001238064417 1131166614 /nfs/dbraw/zinc/16/66/14/1131166614.db2.gz CJZGTJAPPLAKRX-UHFFFAOYSA-N 0 3 291.341 3.653 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CCC3)CC2)c1[O-] ZINC001238063748 1131167075 /nfs/dbraw/zinc/16/70/75/1131167075.db2.gz LXUJBJZYURVPHL-UHFFFAOYSA-N 0 3 263.356 3.606 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)c1ccc(C)cc1[O-] ZINC000817588727 1131174251 /nfs/dbraw/zinc/17/42/51/1131174251.db2.gz JIXDOFBSKSFMGB-QGZVFWFLSA-N 0 3 284.403 3.953 20 10 CHCDHN CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000817953404 1131190665 /nfs/dbraw/zinc/19/06/65/1131190665.db2.gz MXSDVMPWIABDOC-KSSFIOAISA-N 0 3 298.430 3.866 20 10 CHCDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1Cl ZINC001117756392 1131197645 /nfs/dbraw/zinc/19/76/45/1131197645.db2.gz CPPXLCLJFJEWOZ-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1Cl ZINC001117756392 1131197647 /nfs/dbraw/zinc/19/76/47/1131197647.db2.gz CPPXLCLJFJEWOZ-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)OC)c1ccccc1[O-] ZINC000824590759 1131476576 /nfs/dbraw/zinc/47/65/76/1131476576.db2.gz PJDMMTMOMWCRHD-SJLPKXTDSA-N 0 3 299.414 3.691 20 10 CHCDHN Cc1c(C[N@H+](C)Cc2ccccc2[O-])c2ccccc2n1C ZINC001138258648 1131483606 /nfs/dbraw/zinc/48/36/06/1131483606.db2.gz XNNBSKWLIGMSJA-UHFFFAOYSA-N 0 3 294.398 3.824 20 10 CHCDHN Cc1c(C[N@@H+](C)Cc2ccccc2[O-])c2ccccc2n1C ZINC001138258648 1131483609 /nfs/dbraw/zinc/48/36/09/1131483609.db2.gz XNNBSKWLIGMSJA-UHFFFAOYSA-N 0 3 294.398 3.824 20 10 CHCDHN C[C@H]1CN(Cc2ccc3c(c2)CCCN3C)CCC1(F)F ZINC001138354473 1131493918 /nfs/dbraw/zinc/49/39/18/1131493918.db2.gz LBLOURMGAJOALT-ZDUSSCGKSA-N 0 3 294.389 3.546 20 10 CHCDHN COc1ccc2[nH]cc(C[N@H+](C)Cc3ccccc3[O-])c2c1 ZINC001138509893 1131514009 /nfs/dbraw/zinc/51/40/09/1131514009.db2.gz HXIBPJIHNSBGCB-UHFFFAOYSA-N 0 3 296.370 3.514 20 10 CHCDHN COc1ccc2[nH]cc(C[N@@H+](C)Cc3ccccc3[O-])c2c1 ZINC001138509893 1131514013 /nfs/dbraw/zinc/51/40/13/1131514013.db2.gz HXIBPJIHNSBGCB-UHFFFAOYSA-N 0 3 296.370 3.514 20 10 CHCDHN Cc1cccc2[nH]cc(C[N@@H+]3CCc4cccc([O-])c4C3)c21 ZINC001139200500 1131595303 /nfs/dbraw/zinc/59/53/03/1131595303.db2.gz ZFMDVMIRQOECBT-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN Cc1cccc2[nH]cc(C[N@H+]3CCc4cccc([O-])c4C3)c21 ZINC001139200500 1131595307 /nfs/dbraw/zinc/59/53/07/1131595307.db2.gz ZFMDVMIRQOECBT-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN Cn1ccc2ccc(C[N@H+](C)Cc3ccccc3[O-])cc21 ZINC001139206620 1131596692 /nfs/dbraw/zinc/59/66/92/1131596692.db2.gz GZYKKDNMAZMTGA-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN Cn1ccc2ccc(C[N@@H+](C)Cc3ccccc3[O-])cc21 ZINC001139206620 1131596697 /nfs/dbraw/zinc/59/66/97/1131596697.db2.gz GZYKKDNMAZMTGA-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001140055601 1131659888 /nfs/dbraw/zinc/65/98/88/1131659888.db2.gz MISZKXIVVILGOB-MRXNPFEDSA-N 0 3 299.389 3.986 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001140055601 1131659890 /nfs/dbraw/zinc/65/98/90/1131659890.db2.gz MISZKXIVVILGOB-MRXNPFEDSA-N 0 3 299.389 3.986 20 10 CHCDHN Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC001140178695 1131673373 /nfs/dbraw/zinc/67/33/73/1131673373.db2.gz VBIJPIQVIMKICQ-DOMZBBRYSA-N 0 3 261.409 3.877 20 10 CHCDHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCc3cccc(O)c32)o1 ZINC000834518167 1131680810 /nfs/dbraw/zinc/68/08/10/1131680810.db2.gz DYAWEPAUVMCXLD-KCPJHIHWSA-N 0 3 283.371 3.886 20 10 CHCDHN CC[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccccc1[O-] ZINC000846042823 1131683824 /nfs/dbraw/zinc/68/38/24/1131683824.db2.gz QHAVSDLFWPIOIY-FUHWJXTLSA-N 0 3 289.419 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccccc1[O-] ZINC000846042828 1131683922 /nfs/dbraw/zinc/68/39/22/1131683922.db2.gz QHAVSDLFWPIOIY-WMZOPIPTSA-N 0 3 289.419 3.638 20 10 CHCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000834566409 1131684121 /nfs/dbraw/zinc/68/41/21/1131684121.db2.gz MOVKAHZKJXYPHX-BLLLJJGKSA-N 0 3 285.362 3.912 20 10 CHCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000834566412 1131684188 /nfs/dbraw/zinc/68/41/88/1131684188.db2.gz MOVKAHZKJXYPHX-WBMJQRKESA-N 0 3 285.362 3.912 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846118668 1131688061 /nfs/dbraw/zinc/68/80/61/1131688061.db2.gz YIOQPEHLLXWGDM-CYBMUJFWSA-N 0 3 287.737 3.585 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846118668 1131688063 /nfs/dbraw/zinc/68/80/63/1131688063.db2.gz YIOQPEHLLXWGDM-CYBMUJFWSA-N 0 3 287.737 3.585 20 10 CHCDHN CCOc1ccc(C[NH2+]Cc2cccc(CC)c2)c([O-])c1 ZINC000846100685 1131689353 /nfs/dbraw/zinc/68/93/53/1131689353.db2.gz SGXHSCOLYDFIIE-UHFFFAOYSA-N 0 3 285.387 3.643 20 10 CHCDHN COc1cccc(C[C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834646015 1131689951 /nfs/dbraw/zinc/68/99/51/1131689951.db2.gz UEMHDZJZBNLVBQ-GUYCJALGSA-N 0 3 297.398 3.609 20 10 CHCDHN Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834641050 1131690324 /nfs/dbraw/zinc/69/03/24/1131690324.db2.gz VSUJHMFLYRQOIP-DLBZAZTESA-N 0 3 279.383 3.965 20 10 CHCDHN Cc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834654507 1131691178 /nfs/dbraw/zinc/69/11/78/1131691178.db2.gz OOMVFAMKVFEXTI-MRXNPFEDSA-N 0 3 267.372 3.520 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000846187592 1131697676 /nfs/dbraw/zinc/69/76/76/1131697676.db2.gz LDWNUOCXJKMDMT-FZKQIMNGSA-N 0 3 289.419 3.556 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834769402 1131704680 /nfs/dbraw/zinc/70/46/80/1131704680.db2.gz MPQVSGIBSZBBTC-INMHGKMJSA-N 0 3 289.419 3.563 20 10 CHCDHN CCC1([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000834874532 1131714835 /nfs/dbraw/zinc/71/48/35/1131714835.db2.gz FAIQOAVNZSHISH-JTQLQIEISA-N 0 3 253.773 3.947 20 10 CHCDHN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834885859 1131718543 /nfs/dbraw/zinc/71/85/43/1131718543.db2.gz FSEDJXNZFYZVHH-LERXQTSPSA-N 0 3 283.799 3.572 20 10 CHCDHN Cc1ccncc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834886486 1131718886 /nfs/dbraw/zinc/71/88/86/1131718886.db2.gz MODXOJHRXLXEPZ-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN CC[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccccc1[O-] ZINC000834908152 1131730507 /nfs/dbraw/zinc/73/05/07/1131730507.db2.gz HGHVVCMFAUXEDK-CYBMUJFWSA-N 0 3 269.335 3.868 20 10 CHCDHN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000834911011 1131732029 /nfs/dbraw/zinc/73/20/29/1131732029.db2.gz HJGVVMUVAQNAAD-NILFDRSVSA-N 0 3 297.826 3.962 20 10 CHCDHN C[C@H](c1ccncc1)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835046973 1131764147 /nfs/dbraw/zinc/76/41/47/1131764147.db2.gz AZQDGUXOEXAWBV-SQRWCISFSA-N 0 3 295.430 3.854 20 10 CHCDHN C[C@H]1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])O1 ZINC000835088832 1131770993 /nfs/dbraw/zinc/77/09/93/1131770993.db2.gz VIPOMLSSWNAOCV-KSSFIOAISA-N 0 3 297.398 3.716 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(Cl)ccc1N ZINC001140717516 1131893515 /nfs/dbraw/zinc/89/35/15/1131893515.db2.gz BAELFGCJXAHKTM-UHFFFAOYSA-N 0 3 290.794 3.650 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(Cl)ccc1N ZINC001140717516 1131893526 /nfs/dbraw/zinc/89/35/26/1131893526.db2.gz BAELFGCJXAHKTM-UHFFFAOYSA-N 0 3 290.794 3.650 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1[O-] ZINC000282753122 1131893600 /nfs/dbraw/zinc/89/36/00/1131893600.db2.gz NUZSSLRJUNBSIV-RYUDHWBXSA-N 0 3 269.335 3.868 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@@H](F)CC2)c(Cl)c1 ZINC001140921589 1131963601 /nfs/dbraw/zinc/96/36/01/1131963601.db2.gz IYSQFOFRHIKJOT-CYBMUJFWSA-N 0 3 284.806 3.730 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001140947979 1131969369 /nfs/dbraw/zinc/96/93/69/1131969369.db2.gz ODTAGTUCAWKTLE-LBPRGKRZSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c([O-])c1 ZINC001140947979 1131969375 /nfs/dbraw/zinc/96/93/75/1131969375.db2.gz ODTAGTUCAWKTLE-LBPRGKRZSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001140955477 1131971113 /nfs/dbraw/zinc/97/11/13/1131971113.db2.gz YWYOZHWAZWOMMF-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001140955477 1131971118 /nfs/dbraw/zinc/97/11/18/1131971118.db2.gz YWYOZHWAZWOMMF-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN CN(C)c1ccc(CN[C@@H]2CSCc3ccccc32)cc1 ZINC000037233660 1132023322 /nfs/dbraw/zinc/02/33/22/1132023322.db2.gz WCRDHRZHZAZKMW-GOSISDBHSA-N 0 3 298.455 3.830 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2CC(C(C)(C)C)C2)c1[O-] ZINC000839145891 1132184259 /nfs/dbraw/zinc/18/42/59/1132184259.db2.gz UTQCPPUOZYSPFK-UHFFFAOYSA-N 0 3 283.799 3.532 20 10 CHCDHN CC[C@@H](C)OCC[C@@H](C)[N@H+](CC)Cc1ccccc1[O-] ZINC001172356436 1132185454 /nfs/dbraw/zinc/18/54/54/1132185454.db2.gz YKXOLRLMJKCTNS-HUUCEWRRSA-N 0 3 279.424 3.808 20 10 CHCDHN CC[C@@H](C)OCC[C@@H](C)[N@@H+](CC)Cc1ccccc1[O-] ZINC001172356436 1132185458 /nfs/dbraw/zinc/18/54/58/1132185458.db2.gz YKXOLRLMJKCTNS-HUUCEWRRSA-N 0 3 279.424 3.808 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1OC)c1ccccc1[O-] ZINC000840845490 1132293186 /nfs/dbraw/zinc/29/31/86/1132293186.db2.gz ATCSTBKDOZAYIU-SCTDSRPQSA-N 0 3 297.398 3.745 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172724173 1132297362 /nfs/dbraw/zinc/29/73/62/1132297362.db2.gz KVDIQTPUOSOXNQ-MRXNPFEDSA-N 0 3 287.790 3.645 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172724173 1132297368 /nfs/dbraw/zinc/29/73/68/1132297368.db2.gz KVDIQTPUOSOXNQ-MRXNPFEDSA-N 0 3 287.790 3.645 20 10 CHCDHN CC[C@H]([NH2+]C1CCC(COC)CC1)c1ccc(C)cc1[O-] ZINC000840875920 1132300775 /nfs/dbraw/zinc/30/07/75/1132300775.db2.gz KXMHZZGOVKZBIQ-DQPZFDDXSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])[C@H](O)C(C)C ZINC000840880324 1132301508 /nfs/dbraw/zinc/30/15/08/1132301508.db2.gz BWQAIVBOFRPPNP-ZMSDIMECSA-N 0 3 279.424 3.537 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H](c1ccccn1)C(C)C ZINC000840934750 1132310376 /nfs/dbraw/zinc/31/03/76/1132310376.db2.gz WWDHLIZYKPNBKU-LJQANCHMSA-N 0 3 297.446 3.943 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)c1cccnc1 ZINC000840939942 1132310763 /nfs/dbraw/zinc/31/07/63/1132310763.db2.gz RTUGMKBWMSPIOB-HNNXBMFYSA-N 0 3 283.419 3.649 20 10 CHCDHN CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000840961468 1132313994 /nfs/dbraw/zinc/31/39/94/1132313994.db2.gz WPUFTIMJWWWQBD-BDJLRTHQSA-N 0 3 297.826 3.647 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001231589091 1132317167 /nfs/dbraw/zinc/31/71/67/1132317167.db2.gz CHRWLWWTUMHIBS-CJNGLKHVSA-N 0 3 253.345 3.530 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001231589091 1132317172 /nfs/dbraw/zinc/31/71/72/1132317172.db2.gz CHRWLWWTUMHIBS-CJNGLKHVSA-N 0 3 253.345 3.530 20 10 CHCDHN C[N@H+](CCc1cccnc1)Cc1c([O-])ccc2ccccc21 ZINC001231590404 1132318926 /nfs/dbraw/zinc/31/89/26/1132318926.db2.gz YKYSVHKKPONNRB-UHFFFAOYSA-N 0 3 292.382 3.615 20 10 CHCDHN C[N@@H+](CCc1cccnc1)Cc1c([O-])ccc2ccccc21 ZINC001231590404 1132318933 /nfs/dbraw/zinc/31/89/33/1132318933.db2.gz YKYSVHKKPONNRB-UHFFFAOYSA-N 0 3 292.382 3.615 20 10 CHCDHN CCCOC1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC001173090508 1132384492 /nfs/dbraw/zinc/38/44/92/1132384492.db2.gz VREDEQRCDWQMSL-NFOMZHRRSA-N 0 3 277.408 3.781 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1c1cccs1 ZINC000841747675 1132388833 /nfs/dbraw/zinc/38/88/33/1132388833.db2.gz RWULLDGBBQDBBN-KWCYVHTRSA-N 0 3 273.401 3.736 20 10 CHCDHN C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cc(F)ccc1[O-] ZINC000841761313 1132396936 /nfs/dbraw/zinc/39/69/36/1132396936.db2.gz IGVABUIPPXECBW-IUODEOHRSA-N 0 3 295.398 3.513 20 10 CHCDHN CC(C)(C)c1cccc(CN2CCC(F)(F)CC2)c1O ZINC001143103664 1132502947 /nfs/dbraw/zinc/50/29/47/1132502947.db2.gz INFYATPFCNIAQR-UHFFFAOYSA-N 0 3 283.362 3.921 20 10 CHCDHN CC[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233776347 1132677527 /nfs/dbraw/zinc/67/75/27/1132677527.db2.gz QEIZQWIVJPJMGK-SNVBAGLBSA-N 0 3 289.297 3.523 20 10 CHCDHN CC[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233776347 1132677530 /nfs/dbraw/zinc/67/75/30/1132677530.db2.gz QEIZQWIVJPJMGK-SNVBAGLBSA-N 0 3 289.297 3.523 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001203558602 1133340160 /nfs/dbraw/zinc/34/01/60/1133340160.db2.gz OPHAQLAMNBHFNL-UHFFFAOYSA-N 0 3 299.389 3.986 20 10 CHCDHN Cc1ccc(C)c(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001203751444 1133364821 /nfs/dbraw/zinc/36/48/21/1133364821.db2.gz GUKVXFKXUAJHOM-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN Cc1ccc(C)c(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001203751444 1133364824 /nfs/dbraw/zinc/36/48/24/1133364824.db2.gz GUKVXFKXUAJHOM-UHFFFAOYSA-N 0 3 267.372 3.567 20 10 CHCDHN CCN(Cc1ccc(N(CC)CC)cc1)Cc1cccnc1 ZINC001203938802 1133385869 /nfs/dbraw/zinc/38/58/69/1133385869.db2.gz FDCUCSRETVRBCI-UHFFFAOYSA-N 0 3 297.446 3.950 20 10 CHCDHN FC(F)(F)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321928 1133436440 /nfs/dbraw/zinc/43/64/40/1133436440.db2.gz MAWYZDLJXZWWMO-AWEZNQCLSA-N 0 3 298.352 3.671 20 10 CHCDHN c1ccc2c(c1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204318947 1133436467 /nfs/dbraw/zinc/43/64/67/1133436467.db2.gz AODCPHLMSPBVJF-UHFFFAOYSA-N 0 3 292.426 3.845 20 10 CHCDHN Cc1cc(C)cc(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001204523755 1133457469 /nfs/dbraw/zinc/45/74/69/1133457469.db2.gz FFQGIAXIPUEJFC-UHFFFAOYSA-N 0 3 297.398 3.663 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC001204937768 1133503982 /nfs/dbraw/zinc/50/39/82/1133503982.db2.gz NQJUBCPCVJXNTR-OAHLLOKOSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[N@H+](Cc1ccc(C)c(F)c1)Cc1ccccc1[O-] ZINC001205243612 1133549095 /nfs/dbraw/zinc/54/90/95/1133549095.db2.gz LVVFTDCHEPQGED-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1ccc(C)c(F)c1)Cc1ccccc1[O-] ZINC001205243612 1133549102 /nfs/dbraw/zinc/54/91/02/1133549102.db2.gz LVVFTDCHEPQGED-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCCc1ccc(F)cc1)CC2 ZINC001208774422 1133942806 /nfs/dbraw/zinc/94/28/06/1133942806.db2.gz DEDAADBRJRPFEN-UHFFFAOYSA-N 0 3 285.362 3.522 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCCc1ccc(F)cc1)CC2 ZINC001208774422 1133942809 /nfs/dbraw/zinc/94/28/09/1133942809.db2.gz DEDAADBRJRPFEN-UHFFFAOYSA-N 0 3 285.362 3.522 20 10 CHCDHN c1cc(Nc2ccc3c(c2)OCCN3)cc(C2CCC2)n1 ZINC001209723392 1134055402 /nfs/dbraw/zinc/05/54/02/1134055402.db2.gz YLRLUJGUSJIYSG-UHFFFAOYSA-N 0 3 281.359 3.897 20 10 CHCDHN CC[C@H](C[NH2+]Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000402557041 1134660103 /nfs/dbraw/zinc/66/01/03/1134660103.db2.gz HSIDYMMNJGWPMH-VIFPVBQESA-N 0 3 279.277 3.600 20 10 CHCDHN C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000020122490 171002518 /nfs/dbraw/zinc/00/25/18/171002518.db2.gz XRWTUFMFCDAJNB-CYBMUJFWSA-N 0 3 280.371 3.767 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCCCCC2)c1 ZINC000020122635 171003804 /nfs/dbraw/zinc/00/38/04/171003804.db2.gz ZJICBTPVGGEMBL-GFCCVEGCSA-N 0 3 263.381 3.774 20 10 CHCDHN Cc1ccccc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000020126081 171009740 /nfs/dbraw/zinc/00/97/40/171009740.db2.gz ZPVDBLQDYDYMGL-HNNXBMFYSA-N 0 3 268.404 3.912 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(C)c1)c1ccccc1[O-] ZINC000020134230 171021728 /nfs/dbraw/zinc/02/17/28/171021728.db2.gz BPOOYWCNTDZBQE-MRXNPFEDSA-N 0 3 255.361 3.942 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(F)c1 ZINC000020147844 171035217 /nfs/dbraw/zinc/03/52/17/171035217.db2.gz KFKFKPMWWUOILU-NEPJUHHUSA-N 0 3 259.324 3.943 20 10 CHCDHN Cc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000035628842 172308518 /nfs/dbraw/zinc/30/85/18/172308518.db2.gz RTJAFVQLWKWYKM-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc2ccccc2c1[O-] ZINC000049553091 260663959 /nfs/dbraw/zinc/66/39/59/260663959.db2.gz MKKGDMODJVIAGS-UONOGXRCSA-N 0 3 286.419 3.536 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccccc1[O-] ZINC000155679640 261105724 /nfs/dbraw/zinc/10/57/24/261105724.db2.gz WTLYUUOENBRCRN-DOTOQJQBSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccccc1[O-] ZINC000155679517 261106138 /nfs/dbraw/zinc/10/61/38/261106138.db2.gz WTLYUUOENBRCRN-RDJZCZTQSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]CCc1nc(C)c(C)s1)c1ccccc1[O-] ZINC000156387760 261122109 /nfs/dbraw/zinc/12/21/09/261122109.db2.gz DBTFDBGUTDEJNI-AWEZNQCLSA-N 0 3 290.432 3.749 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1ccccc1[O-] ZINC000156698824 261129624 /nfs/dbraw/zinc/12/96/24/261129624.db2.gz SPKGIEXBRQVYSD-QGPMSJSTSA-N 0 3 291.435 3.884 20 10 CHCDHN Cc1cc(Cl)cc(CN(C)[C@H](C)c2ccccn2)c1O ZINC000182066874 261922415 /nfs/dbraw/zinc/92/24/15/261922415.db2.gz QKPABYQMIQUOFS-GFCCVEGCSA-N 0 3 290.794 3.942 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000183430115 261974382 /nfs/dbraw/zinc/97/43/82/261974382.db2.gz RWKWQCXUAWUNAZ-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(Cl)nc2)c1 ZINC000185074010 262040116 /nfs/dbraw/zinc/04/01/16/262040116.db2.gz ZQNHVCXAGOCDMX-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000185351537 262051503 /nfs/dbraw/zinc/05/15/03/262051503.db2.gz OLWNIBXIKYWFBI-UONOGXRCSA-N 0 3 285.387 3.688 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC000185525949 262058690 /nfs/dbraw/zinc/05/86/90/262058690.db2.gz OBQWECCVXJAJCL-DOTOQJQBSA-N 0 3 299.414 3.517 20 10 CHCDHN COc1cccc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000370560411 267327783 /nfs/dbraw/zinc/32/77/83/267327783.db2.gz YODKBIVPKCSAAH-KBRIMQKVSA-N 0 3 297.398 3.683 20 10 CHCDHN C[C@H](NCc1ccn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000158438572 327629119 /nfs/dbraw/zinc/62/91/19/327629119.db2.gz JKRHOTRGCOYJLD-INIZCTEOSA-N 0 3 297.446 3.866 20 10 CHCDHN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185564798 327841286 /nfs/dbraw/zinc/84/12/86/327841286.db2.gz BTCXRNYNKLCSOK-OLZOCXBDSA-N 0 3 265.397 3.555 20 10 CHCDHN Cc1ccc(O)c(CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000527771343 330282038 /nfs/dbraw/zinc/28/20/38/330282038.db2.gz HUOLUVZNBBOQNW-SFHVURJKSA-N 0 3 282.387 3.727 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527771343 330282039 /nfs/dbraw/zinc/28/20/39/330282039.db2.gz HUOLUVZNBBOQNW-SFHVURJKSA-N 0 3 282.387 3.727 20 10 CHCDHN COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C2CC2)cn1 ZINC000528041629 330305771 /nfs/dbraw/zinc/30/57/71/330305771.db2.gz BTFQBOVMGILOFG-SGTLLEGYSA-N 0 3 298.386 3.598 20 10 CHCDHN Cc1c2ccccc2n(C)c1CNCc1cncn1C(C)C ZINC000424198916 330326252 /nfs/dbraw/zinc/32/62/52/330326252.db2.gz YNBSHNDXJQFALL-UHFFFAOYSA-N 0 3 296.418 3.554 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1[O-] ZINC000117395183 517731298 /nfs/dbraw/zinc/73/12/98/517731298.db2.gz VUURVNJGQIIBHQ-KBPBESRZSA-N 0 3 295.448 3.555 20 10 CHCDHN CC(C)n1ncc2c1[C@H]([NH2+][C@H](C)c1ccccc1[O-])CCC2 ZINC000364882161 520080216 /nfs/dbraw/zinc/08/02/16/520080216.db2.gz KNAYBMFJKVPRCI-CZUORRHYSA-N 0 3 299.418 3.898 20 10 CHCDHN CCN(CC)c1ccc(CNCc2scnc2C)cc1 ZINC000071212610 520907223 /nfs/dbraw/zinc/90/72/23/520907223.db2.gz IFDZCLBONOYUJO-UHFFFAOYSA-N 0 3 289.448 3.588 20 10 CHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@H](C)c1cccnc1 ZINC000290425149 521291637 /nfs/dbraw/zinc/29/16/37/521291637.db2.gz KZJKJHPXDNBAAR-GFCCVEGCSA-N 0 3 274.339 3.509 20 10 CHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H](C)c1cccnc1 ZINC000290425149 521291648 /nfs/dbraw/zinc/29/16/48/521291648.db2.gz KZJKJHPXDNBAAR-GFCCVEGCSA-N 0 3 274.339 3.509 20 10 CHCDHN CCc1nc(C)c(CN[C@H](CC)c2ccc(C)cc2O)o1 ZINC000291935106 522211270 /nfs/dbraw/zinc/21/12/70/522211270.db2.gz PDSQDCJANNOEEI-CQSZACIVSA-N 0 3 288.391 3.800 20 10 CHCDHN CN(C)c1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000061325285 522211485 /nfs/dbraw/zinc/21/14/85/522211485.db2.gz WKBSFMUCRIYNQR-INIZCTEOSA-N 0 3 286.444 3.981 20 10 CHCDHN CC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1ccccc1[O-] ZINC000274741699 522572553 /nfs/dbraw/zinc/57/25/53/522572553.db2.gz FKWHEGNLOLHTGY-ZBFHGGJFSA-N 0 3 291.435 3.622 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(C)cc1[O-] ZINC000279970153 522630409 /nfs/dbraw/zinc/63/04/09/522630409.db2.gz CYPHWHCLYKRUAZ-HOCLYGCPSA-N 0 3 291.416 3.536 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CC)CCOCC1)c1ccc(C)cc1[O-] ZINC000279968234 522818734 /nfs/dbraw/zinc/81/87/34/522818734.db2.gz CTZFCHGNWIOTTG-MRXNPFEDSA-N 0 3 291.435 3.948 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(C)cc1[O-] ZINC000280082582 522855039 /nfs/dbraw/zinc/85/50/39/522855039.db2.gz LUIDMGJGQHUAHK-TZMCWYRMSA-N 0 3 297.489 3.590 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccc(C)cc1[O-] ZINC000280138263 522875001 /nfs/dbraw/zinc/87/50/01/522875001.db2.gz PNEXOTLMVOHJOR-MRXNPFEDSA-N 0 3 270.376 3.645 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000274961638 522926882 /nfs/dbraw/zinc/92/68/82/522926882.db2.gz WVUXKJBKONNYMS-UKRRQHHQSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(C)cc1[O-] ZINC000280274248 522928419 /nfs/dbraw/zinc/92/84/19/522928419.db2.gz YATCFJANFWAJCD-GDBMZVCRSA-N 0 3 289.419 3.843 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(C)cc1[O-] ZINC000280009289 522948381 /nfs/dbraw/zinc/94/83/81/522948381.db2.gz GPCHNJCGRROHCP-GXTWGEPZSA-N 0 3 265.422 3.637 20 10 CHCDHN C[N@H+](Cc1cccc(C(F)F)c1)Cc1ccccc1[O-] ZINC000279177449 523300459 /nfs/dbraw/zinc/30/04/59/523300459.db2.gz AXDVAQLSYJRFFI-UHFFFAOYSA-N 0 3 277.314 3.962 20 10 CHCDHN C[N@@H+](Cc1cccc(C(F)F)c1)Cc1ccccc1[O-] ZINC000279177449 523300468 /nfs/dbraw/zinc/30/04/68/523300468.db2.gz AXDVAQLSYJRFFI-UHFFFAOYSA-N 0 3 277.314 3.962 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290223821 523386795 /nfs/dbraw/zinc/38/67/95/523386795.db2.gz SAHPECMILOHKND-BETUJISGSA-N 0 3 287.325 3.945 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290223821 523386806 /nfs/dbraw/zinc/38/68/06/523386806.db2.gz SAHPECMILOHKND-BETUJISGSA-N 0 3 287.325 3.945 20 10 CHCDHN COc1ccc(F)cc1[C@H](C)NCc1cc(C)ccc1O ZINC000071407696 524331845 /nfs/dbraw/zinc/33/18/45/524331845.db2.gz VVBXWADCHJXYNM-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061359916 524755527 /nfs/dbraw/zinc/75/55/27/524755527.db2.gz GRRVKUXIDVRHMM-AWEZNQCLSA-N 0 3 289.400 3.630 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053148763 524772893 /nfs/dbraw/zinc/77/28/93/524772893.db2.gz PLQQXCTTZHGRSK-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(Cl)c2)c1 ZINC000053148763 524772896 /nfs/dbraw/zinc/77/28/96/524772896.db2.gz PLQQXCTTZHGRSK-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCOC1 ZINC000266149685 525511704 /nfs/dbraw/zinc/51/17/04/525511704.db2.gz JZRHMFVKZXNGGZ-RHSMWYFYSA-N 0 3 297.398 3.574 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000094616546 525603700 /nfs/dbraw/zinc/60/37/00/525603700.db2.gz CYAKLAOOEDQXMZ-NEPJUHHUSA-N 0 3 259.324 3.943 20 10 CHCDHN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(N(C)C)cc1 ZINC000130333732 525650977 /nfs/dbraw/zinc/65/09/77/525650977.db2.gz YHOIYGFUROTYOK-FZKQIMNGSA-N 0 3 296.414 3.796 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(O)cc2)c([O-])c1C ZINC000273301194 525728293 /nfs/dbraw/zinc/72/82/93/525728293.db2.gz BOASVZWVMNMGFZ-CQSZACIVSA-N 0 3 285.387 3.608 20 10 CHCDHN CCOc1cccc(CN(CC)CCC(F)(F)F)c1O ZINC000092753752 1120564720 /nfs/dbraw/zinc/56/47/20/1120564720.db2.gz FPAGAKNUZLCIRM-UHFFFAOYSA-N 0 3 291.313 3.565 20 10 CHCDHN CSCC1(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000850506329 1123276190 /nfs/dbraw/zinc/27/61/90/1123276190.db2.gz ISVNDLIXOHZCPR-CYBMUJFWSA-N 0 3 279.449 3.885 20 10 CHCDHN COc1cccc(C[NH+](CC(C)C)CC(C)C)c1[O-] ZINC000132494077 1125419148 /nfs/dbraw/zinc/41/91/48/1125419148.db2.gz UXCYQFGZDNHTIR-UHFFFAOYSA-N 0 3 265.397 3.515 20 10 CHCDHN CCC(CC)[N@H+](CC)Cc1cc(Cl)c([O-])cc1O ZINC001232262866 1132444131 /nfs/dbraw/zinc/44/41/31/1132444131.db2.gz UGNUEXRNRWYJOV-UHFFFAOYSA-N 0 3 271.788 3.762 20 10 CHCDHN CCC(CC)[N@@H+](CC)Cc1cc(Cl)c([O-])cc1O ZINC001232262866 1132444133 /nfs/dbraw/zinc/44/41/33/1132444133.db2.gz UGNUEXRNRWYJOV-UHFFFAOYSA-N 0 3 271.788 3.762 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1cccs1 ZINC000037362888 1125623636 /nfs/dbraw/zinc/62/36/36/1125623636.db2.gz GKQAYSFTGURXQK-NSHDSACASA-N 0 3 259.374 3.534 20 10 CHCDHN CCOc1cccc(C[N@@H+]2[C@H](C)CC[C@@H]2CC)c1[O-] ZINC000136821708 1125647897 /nfs/dbraw/zinc/64/78/97/1125647897.db2.gz QXRZNKQAVXPVON-OCCSQVGLSA-N 0 3 263.381 3.554 20 10 CHCDHN CCOc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2CC)c1[O-] ZINC000136821708 1125647899 /nfs/dbraw/zinc/64/78/99/1125647899.db2.gz QXRZNKQAVXPVON-OCCSQVGLSA-N 0 3 263.381 3.554 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@H](c2ccccn2)C2CC2)c1 ZINC000903334464 1126801511 /nfs/dbraw/zinc/80/15/11/1126801511.db2.gz AEWHNEGFDZSWAR-SGTLLEGYSA-N 0 3 298.386 3.598 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000180778855 1126848086 /nfs/dbraw/zinc/84/80/86/1126848086.db2.gz XOBLQLWWKVCGEX-UHFFFAOYSA-N 0 3 291.753 3.964 20 10 CHCDHN Cc1cc(O)c(CN(C)[C@H](C)c2ccccn2)cc1C ZINC000182067376 1126865576 /nfs/dbraw/zinc/86/55/76/1126865576.db2.gz AWKKSQODNOIXKL-CQSZACIVSA-N 0 3 270.376 3.597 20 10 CHCDHN CC[C@@](C)(NCc1cccc(C)c1O)c1nc(C)cs1 ZINC000182226543 1126869117 /nfs/dbraw/zinc/86/91/17/1126869117.db2.gz UHERIJQHGVQSNB-MRXNPFEDSA-N 0 3 290.432 3.881 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000183198724 1126882480 /nfs/dbraw/zinc/88/24/80/1126882480.db2.gz TUTJPWQMBPHLHA-ONGXEEELSA-N 0 3 294.395 3.751 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000183292308 1126885245 /nfs/dbraw/zinc/88/52/45/1126885245.db2.gz OZHJUSXATHSIIS-KRWDZBQOSA-N 0 3 282.387 3.905 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000183292308 1126885251 /nfs/dbraw/zinc/88/52/51/1126885251.db2.gz OZHJUSXATHSIIS-KRWDZBQOSA-N 0 3 282.387 3.905 20 10 CHCDHN COc1ccc(CCC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183435777 1126886495 /nfs/dbraw/zinc/88/64/95/1126886495.db2.gz LJKLBUAEJIOATI-AWEZNQCLSA-N 0 3 285.387 3.684 20 10 CHCDHN COCCC1(C[NH2+][C@H](C)c2ccccc2[O-])CCCC1 ZINC000183560746 1126888798 /nfs/dbraw/zinc/88/87/98/1126888798.db2.gz LVTGWIRQNNKVAP-CQSZACIVSA-N 0 3 277.408 3.640 20 10 CHCDHN C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183588014 1126889335 /nfs/dbraw/zinc/88/93/35/1126889335.db2.gz AVXPUUSSKMEEBU-TYNCELHUSA-N 0 3 291.416 3.617 20 10 CHCDHN C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183627069 1126889689 /nfs/dbraw/zinc/88/96/89/1126889689.db2.gz RAOMHBXYKJKIHI-KSSFIOAISA-N 0 3 297.398 3.557 20 10 CHCDHN C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183627052 1126890128 /nfs/dbraw/zinc/89/01/28/1126890128.db2.gz RAOMHBXYKJKIHI-RDTXWAMCSA-N 0 3 297.398 3.557 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000187927102 1126917778 /nfs/dbraw/zinc/91/77/78/1126917778.db2.gz MGJOUWPESOIRTI-HNAYVOBHSA-N 0 3 299.414 3.649 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cnccc1C ZINC000269594789 1127042155 /nfs/dbraw/zinc/04/21/55/1127042155.db2.gz JDNAIUNCWWSZRZ-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cnccc1C ZINC000269594789 1127042160 /nfs/dbraw/zinc/04/21/60/1127042160.db2.gz JDNAIUNCWWSZRZ-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)(F)CC2)c1[O-] ZINC001238058202 1131164872 /nfs/dbraw/zinc/16/48/72/1131164872.db2.gz PHDSAZZHLTUDGB-OAHLLOKOSA-N 0 3 269.335 3.554 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@](C)(F)CC2)c1[O-] ZINC001238058202 1131164876 /nfs/dbraw/zinc/16/48/76/1131164876.db2.gz PHDSAZZHLTUDGB-OAHLLOKOSA-N 0 3 269.335 3.554 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(C)cc1[O-] ZINC000286973788 1127277734 /nfs/dbraw/zinc/27/77/34/1127277734.db2.gz IQLGVXJTEMWDSR-HIFRSBDPSA-N 0 3 279.449 3.885 20 10 CHCDHN Cc1cc(O)c(CN[C@H]2c3ccccc3O[C@H]2C)cc1C ZINC000288544454 1127346263 /nfs/dbraw/zinc/34/62/63/1127346263.db2.gz LBBSCHLLNYNZHH-SCLBCKFNSA-N 0 3 283.371 3.621 20 10 CHCDHN Cc1ccc(C2CC([NH2+]Cc3ccccc3[O-])C2)cc1 ZINC000167498478 1127363770 /nfs/dbraw/zinc/36/37/70/1127363770.db2.gz ROBOTDOYZJAHGO-UHFFFAOYSA-N 0 3 267.372 3.736 20 10 CHCDHN CCc1noc(C)c1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000293746387 1127517245 /nfs/dbraw/zinc/51/72/45/1127517245.db2.gz PVGQEECRBLXMNV-GFCCVEGCSA-N 0 3 288.391 3.719 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1[O-] ZINC000761225923 1127550359 /nfs/dbraw/zinc/55/03/59/1127550359.db2.gz MYEGECKUAPJDRX-ZDUSSCGKSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CC[C@H](C)C(C)(C)C2)c1[O-] ZINC000761225923 1127550361 /nfs/dbraw/zinc/55/03/61/1127550361.db2.gz MYEGECKUAPJDRX-ZDUSSCGKSA-N 0 3 277.408 3.659 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cc(F)cc(F)c2)c([O-])c1 ZINC000060717708 1127564596 /nfs/dbraw/zinc/56/45/96/1127564596.db2.gz FLJIBDQWGJTQMX-GFCCVEGCSA-N 0 3 291.341 3.872 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC2(C)C)c1[O-] ZINC000228675896 1127585451 /nfs/dbraw/zinc/58/54/51/1127585451.db2.gz FBQSLMDYEVTNHK-CYBMUJFWSA-N 0 3 283.799 3.723 20 10 CHCDHN Cc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)ccc1F ZINC000295886037 1127656630 /nfs/dbraw/zinc/65/66/30/1127656630.db2.gz HXQIDADZADVWBR-HNNXBMFYSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000296275613 1127667012 /nfs/dbraw/zinc/66/70/12/1127667012.db2.gz CKIFILYDWWRDMR-MFKMUULPSA-N 0 3 288.416 3.538 20 10 CHCDHN CCO[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000296584083 1127676730 /nfs/dbraw/zinc/67/67/30/1127676730.db2.gz WGSHXXYLUKZNAW-FUHWJXTLSA-N 0 3 297.398 3.747 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC000297619727 1127701973 /nfs/dbraw/zinc/70/19/73/1127701973.db2.gz IWTMLCBPFSNJGZ-JKSUJKDBSA-N 0 3 283.346 3.796 20 10 CHCDHN CCCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000230935229 1127784939 /nfs/dbraw/zinc/78/49/39/1127784939.db2.gz BARPOADTOBLPCO-UHFFFAOYSA-N 0 3 283.799 3.724 20 10 CHCDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cc(C)ccc1O)CO2 ZINC000373265108 1127831205 /nfs/dbraw/zinc/83/12/05/1127831205.db2.gz IDFLYKXCPCBUSJ-XJKSGUPXSA-N 0 3 283.371 3.793 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC(C2CC2)C2CC2)c([O-])c1 ZINC000088455751 1127938298 /nfs/dbraw/zinc/93/82/98/1127938298.db2.gz BGCXUJPTRLIXNB-LBPRGKRZSA-N 0 3 259.393 3.787 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C)cc1[O-] ZINC000926951447 1128205797 /nfs/dbraw/zinc/20/57/97/1128205797.db2.gz RDDAHRSGSAESTM-UHTWSYAYSA-N 0 3 287.325 3.940 20 10 CHCDHN C[C@@H]([NH2+]C[C@]1(c2ccccc2)CCCO1)c1ccccc1[O-] ZINC000927114175 1128219010 /nfs/dbraw/zinc/21/90/10/1128219010.db2.gz CSSUIOCKCLRWKO-BEFAXECRSA-N 0 3 297.398 3.749 20 10 CHCDHN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1F ZINC000777970820 1128351834 /nfs/dbraw/zinc/35/18/34/1128351834.db2.gz WGQRSYNCWHOPDA-LRDDRELGSA-N 0 3 273.351 3.725 20 10 CHCDHN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1F ZINC000777970820 1128351839 /nfs/dbraw/zinc/35/18/39/1128351839.db2.gz WGQRSYNCWHOPDA-LRDDRELGSA-N 0 3 273.351 3.725 20 10 CHCDHN COc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1C ZINC000934701450 1128467259 /nfs/dbraw/zinc/46/72/59/1128467259.db2.gz POMSHWUSUFJLLF-GOSISDBHSA-N 0 3 282.387 3.640 20 10 CHCDHN Cc1cccc(C)c1C[N@H+](C)Cc1ccccc1[O-] ZINC000154987460 1128611110 /nfs/dbraw/zinc/61/11/10/1128611110.db2.gz AYYOKJMJWXCVCC-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1cccc(C)c1C[N@@H+](C)Cc1ccccc1[O-] ZINC000154987460 1128611111 /nfs/dbraw/zinc/61/11/11/1128611111.db2.gz AYYOKJMJWXCVCC-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN CC[C@@H]([NH2+]CCCNc1ccccc1)c1ccccc1[O-] ZINC000155889405 1128617862 /nfs/dbraw/zinc/61/78/62/1128617862.db2.gz CRKVSNZUPZLVLB-QGZVFWFLSA-N 0 3 284.403 3.935 20 10 CHCDHN CCO[C@@H](CC[NH2+][C@H](CC)c1ccccc1[O-])C(C)C ZINC000156164613 1128629048 /nfs/dbraw/zinc/62/90/48/1128629048.db2.gz MOOSWOKYJLMMEE-WBVHZDCISA-N 0 3 279.424 3.884 20 10 CHCDHN C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779015206 1128680186 /nfs/dbraw/zinc/68/01/86/1128680186.db2.gz SEIDSULDUPEGOU-GFCCVEGCSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779015206 1128680188 /nfs/dbraw/zinc/68/01/88/1128680188.db2.gz SEIDSULDUPEGOU-GFCCVEGCSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779022678 1128685564 /nfs/dbraw/zinc/68/55/64/1128685564.db2.gz FTTMQSNWRPCOEN-DYVFJYSZSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779022678 1128685566 /nfs/dbraw/zinc/68/55/66/1128685566.db2.gz FTTMQSNWRPCOEN-DYVFJYSZSA-N 0 3 285.362 3.909 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000779021058 1128684529 /nfs/dbraw/zinc/68/45/29/1128684529.db2.gz QQOZUANLJKSUFP-QGZVFWFLSA-N 0 3 275.367 3.854 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000779021058 1128684531 /nfs/dbraw/zinc/68/45/31/1128684531.db2.gz QQOZUANLJKSUFP-QGZVFWFLSA-N 0 3 275.367 3.854 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(OC(F)F)cc1 ZINC000134225965 1128706010 /nfs/dbraw/zinc/70/60/10/1128706010.db2.gz VPKIWPRROOPKQO-NSHDSACASA-N 0 3 293.313 3.844 20 10 CHCDHN Cc1ccc(CCC[NH2+]Cc2ccccc2[O-])c(C)c1 ZINC000779052918 1128709871 /nfs/dbraw/zinc/70/98/71/1128709871.db2.gz VIAJPVYNKBICOQ-UHFFFAOYSA-N 0 3 269.388 3.731 20 10 CHCDHN C[C@H]1C[C@H]1c1ccc(CNCc2cc(F)ccc2O)o1 ZINC000779065327 1128716405 /nfs/dbraw/zinc/71/64/05/1128716405.db2.gz PDUVMHROXBXODX-IINYFYTJSA-N 0 3 275.323 3.538 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)c2c1c(F)ccc2[O-] ZINC000779078455 1128722138 /nfs/dbraw/zinc/72/21/38/1128722138.db2.gz GHNFBFVAPXSAAX-MDZLAQPJSA-N 0 3 293.382 3.627 20 10 CHCDHN CC[C@](C)([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000779084683 1128725882 /nfs/dbraw/zinc/72/58/82/1128725882.db2.gz JIBVXXWZUFSEEE-KRWDZBQOSA-N 0 3 273.351 3.946 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(Cc2ccccc2)CCC1 ZINC000779090361 1128728597 /nfs/dbraw/zinc/72/85/97/1128728597.db2.gz GWEUHUCSODTRTG-UHFFFAOYSA-N 0 3 285.362 3.786 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000049577324 1117782565 /nfs/dbraw/zinc/78/25/65/1117782565.db2.gz JEXDFSQHBZGKIJ-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c([O-])c1 ZINC000185405142 1117818413 /nfs/dbraw/zinc/81/84/13/1117818413.db2.gz NRMDKDGYETVXCZ-CABCVRRESA-N 0 3 297.398 3.918 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c([O-])c1 ZINC000037565737 1118031188 /nfs/dbraw/zinc/03/11/88/1118031188.db2.gz QHIHZDGQHPUNMA-ZFWWWQNUSA-N 0 3 267.372 3.691 20 10 CHCDHN CC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000748098422 1118056286 /nfs/dbraw/zinc/05/62/86/1118056286.db2.gz CHIXVXYUZAXGPA-UHFFFAOYSA-N 0 3 267.372 3.949 20 10 CHCDHN Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000693131056 1118219384 /nfs/dbraw/zinc/21/93/84/1118219384.db2.gz MEDNRVSMXNKSPT-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179873256 1128763747 /nfs/dbraw/zinc/76/37/47/1128763747.db2.gz FXFBMAJCDQOTBP-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(Cl)cc1CN[C@@H](C)c1ccccc1O ZINC000179873256 1128763749 /nfs/dbraw/zinc/76/37/49/1128763749.db2.gz FXFBMAJCDQOTBP-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000179899031 1128764589 /nfs/dbraw/zinc/76/45/89/1128764589.db2.gz NOAFLZSUMYVRFM-KEYYUXOJSA-N 0 3 277.408 3.638 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000092866769 1118496722 /nfs/dbraw/zinc/49/67/22/1118496722.db2.gz NYHMIWWFGKENJQ-UHFFFAOYSA-N 0 3 271.360 3.930 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000092866769 1118496724 /nfs/dbraw/zinc/49/67/24/1118496724.db2.gz NYHMIWWFGKENJQ-UHFFFAOYSA-N 0 3 271.360 3.930 20 10 CHCDHN Cc1cc(CN2CCc3cccc(O)c3C2)cc(C)c1F ZINC001143385398 1118524678 /nfs/dbraw/zinc/52/46/78/1118524678.db2.gz ROBJVCSWYKVMPH-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)cc(C)c1F ZINC001143385398 1118524681 /nfs/dbraw/zinc/52/46/81/1118524681.db2.gz ROBJVCSWYKVMPH-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1cc(C[N@H+]2CCc3cccc([O-])c3C2)cc(C)c1F ZINC001143385398 1118524682 /nfs/dbraw/zinc/52/46/82/1118524682.db2.gz ROBJVCSWYKVMPH-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN CCC[N@H+](CCOCc1ccccc1)Cc1ccccc1[O-] ZINC001167521889 1118986176 /nfs/dbraw/zinc/98/61/76/1118986176.db2.gz MADOGPHNCHVGRC-UHFFFAOYSA-N 0 3 299.414 3.821 20 10 CHCDHN CCC[N@@H+](CCOCc1ccccc1)Cc1ccccc1[O-] ZINC001167521889 1118986179 /nfs/dbraw/zinc/98/61/79/1118986179.db2.gz MADOGPHNCHVGRC-UHFFFAOYSA-N 0 3 299.414 3.821 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000051630628 1119059531 /nfs/dbraw/zinc/05/95/31/1119059531.db2.gz PDUOEDIFTXLFGN-AEFFLSMTSA-N 0 3 281.399 3.990 20 10 CHCDHN C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000226562216 1119157326 /nfs/dbraw/zinc/15/73/26/1119157326.db2.gz AWELTMRVDQJAAH-RISCZKNCSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000226562216 1119157328 /nfs/dbraw/zinc/15/73/28/1119157328.db2.gz AWELTMRVDQJAAH-RISCZKNCSA-N 0 3 251.345 3.542 20 10 CHCDHN CCCC[C@@H](CCC)[NH2+]Cc1cccc(O)c1[O-] ZINC000226759986 1119323168 /nfs/dbraw/zinc/32/31/68/1119323168.db2.gz YLNTVLASZBGPGF-CYBMUJFWSA-N 0 3 251.370 3.546 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000179560979 1119750379 /nfs/dbraw/zinc/75/03/79/1119750379.db2.gz QRKZJINVRVWFFN-CQSZACIVSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000179560979 1119750381 /nfs/dbraw/zinc/75/03/81/1119750381.db2.gz QRKZJINVRVWFFN-CQSZACIVSA-N 0 3 285.387 3.984 20 10 CHCDHN C[C@H](c1ccco1)N(Cc1ccccc1O)C1CC1 ZINC000179563320 1119751334 /nfs/dbraw/zinc/75/13/34/1119751334.db2.gz FEEXUNUJIQECHP-GFCCVEGCSA-N 0 3 257.333 3.711 20 10 CHCDHN C[C@H](c1ccco1)[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000179563320 1119751337 /nfs/dbraw/zinc/75/13/37/1119751337.db2.gz FEEXUNUJIQECHP-GFCCVEGCSA-N 0 3 257.333 3.711 20 10 CHCDHN C[C@H](c1ccco1)[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000179563320 1119751339 /nfs/dbraw/zinc/75/13/39/1119751339.db2.gz FEEXUNUJIQECHP-GFCCVEGCSA-N 0 3 257.333 3.711 20 10 CHCDHN CC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309409035 1119993560 /nfs/dbraw/zinc/99/35/60/1119993560.db2.gz BKIJVLIYXKGCHA-VHSXEESVSA-N 0 3 286.213 3.912 20 10 CHCDHN C[C@H](NCc1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000922013841 1120333285 /nfs/dbraw/zinc/33/32/85/1120333285.db2.gz COKGBRNKYSZVKM-AWEZNQCLSA-N 0 3 298.434 3.525 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccccc1[O-] ZINC000922328650 1120514117 /nfs/dbraw/zinc/51/41/17/1120514117.db2.gz GRGJYJXEQIIEHO-QWHCGFSZSA-N 0 3 283.371 3.566 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1[O-] ZINC000922328656 1120514216 /nfs/dbraw/zinc/51/42/16/1120514216.db2.gz GRGOMRVVXBUDIR-ZDUSSCGKSA-N 0 3 283.371 3.568 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)c([O-])c1 ZINC000191684510 1120526461 /nfs/dbraw/zinc/52/64/61/1120526461.db2.gz OUQYEIITRWHLRW-UHFFFAOYSA-N 0 3 283.371 3.568 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)c([O-])c1 ZINC000020090628 1120583578 /nfs/dbraw/zinc/58/35/78/1120583578.db2.gz PDMSCETXUAJOJV-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000186569642 1120586509 /nfs/dbraw/zinc/58/65/09/1120586509.db2.gz SAEBBPBEDXZSEW-ZYHUDNBSSA-N 0 3 276.405 3.611 20 10 CHCDHN COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000756705984 1120744877 /nfs/dbraw/zinc/74/48/77/1120744877.db2.gz FPVDAWWFGKHHHK-GJZGRUSLSA-N 0 3 299.414 3.991 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)COC3)c([O-])c1 ZINC000756759433 1120804196 /nfs/dbraw/zinc/80/41/96/1120804196.db2.gz KJGWNDUILIVIDQ-CYBMUJFWSA-N 0 3 283.371 3.582 20 10 CHCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC000191658812 1128950158 /nfs/dbraw/zinc/95/01/58/1128950158.db2.gz WJEIKXSQCOJXBJ-ZDUSSCGKSA-N 0 3 287.325 3.803 20 10 CHCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC000191658812 1128950162 /nfs/dbraw/zinc/95/01/62/1128950162.db2.gz WJEIKXSQCOJXBJ-ZDUSSCGKSA-N 0 3 287.325 3.803 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CCCCC23CCCC3)c([O-])c1 ZINC000314940898 1120982219 /nfs/dbraw/zinc/98/22/19/1120982219.db2.gz SDUOUNZGFKFWBD-QGZVFWFLSA-N 0 3 289.419 3.993 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000763517889 1128960503 /nfs/dbraw/zinc/96/05/03/1128960503.db2.gz JUBRULBOYPIDJX-FSPWUOQZSA-N 0 3 297.398 3.683 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](OC)C1CCCC1)c1ccccc1[O-] ZINC000703128689 1121236333 /nfs/dbraw/zinc/23/63/33/1121236333.db2.gz PDWOULSTTKCVPD-NVXWUHKLSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccccc1[O-] ZINC000704777416 1121367891 /nfs/dbraw/zinc/36/78/91/1121367891.db2.gz TZKPJKZLLYEKMG-OCCSQVGLSA-N 0 3 265.422 3.576 20 10 CHCDHN CC(C)[C@H]1[N@H+](Cc2ccccc2[O-])CC12CC=CC2 ZINC000843432060 1121531105 /nfs/dbraw/zinc/53/11/05/1121531105.db2.gz PIZNLDJHCQNOQL-MRXNPFEDSA-N 0 3 257.377 3.569 20 10 CHCDHN CC(C)[C@H]1[N@@H+](Cc2ccccc2[O-])CC12CC=CC2 ZINC000843432060 1121531111 /nfs/dbraw/zinc/53/11/11/1121531111.db2.gz PIZNLDJHCQNOQL-MRXNPFEDSA-N 0 3 257.377 3.569 20 10 CHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc[nH]2)cc1F ZINC001178398550 1121783477 /nfs/dbraw/zinc/78/34/77/1121783477.db2.gz RPNNTTCAMNOZAN-ZDUSSCGKSA-N 0 3 289.398 3.851 20 10 CHCDHN CCN(C)c1ccc(CN[C@@H](COC)c2ccccc2)cc1 ZINC000773810509 1121865999 /nfs/dbraw/zinc/86/59/99/1121865999.db2.gz IRQOFZQQWRLYAR-IBGZPJMESA-N 0 3 298.430 3.620 20 10 CHCDHN CCN(C)c1ccc(CN[C@H](COC)c2ccccc2)cc1 ZINC000773810512 1121866528 /nfs/dbraw/zinc/86/65/28/1121866528.db2.gz IRQOFZQQWRLYAR-LJQANCHMSA-N 0 3 298.430 3.620 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](OC)[C@@H](C)CC ZINC001180194736 1121964623 /nfs/dbraw/zinc/96/46/23/1121964623.db2.gz MAEQHOWKZHSHKO-WMLDXEAASA-N 0 3 279.424 3.665 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](OC)[C@@H](C)CC ZINC001180194736 1121964628 /nfs/dbraw/zinc/96/46/28/1121964628.db2.gz MAEQHOWKZHSHKO-WMLDXEAASA-N 0 3 279.424 3.665 20 10 CHCDHN Cc1cccc2[nH]c(C[N@@H+](C)Cc3ccccc3[O-])cc21 ZINC001180239340 1121968039 /nfs/dbraw/zinc/96/80/39/1121968039.db2.gz IJZRMTROJWLMJD-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN Cc1cccc2[nH]c(C[N@H+](C)Cc3ccccc3[O-])cc21 ZINC001180239340 1121968045 /nfs/dbraw/zinc/96/80/45/1121968045.db2.gz IJZRMTROJWLMJD-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCCC2(C)C)c([O-])c1 ZINC001181972903 1122103896 /nfs/dbraw/zinc/10/38/96/1122103896.db2.gz VRZZLMWDRGWQJR-ZDUSSCGKSA-N 0 3 277.408 3.625 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000192750302 1129033566 /nfs/dbraw/zinc/03/35/66/1129033566.db2.gz CECMRCFHFWYCPS-SWLSCSKDSA-N 0 3 299.370 3.923 20 10 CHCDHN COCC[C@@H](N[C@H](C)c1ccc(C)cc1O)c1ccco1 ZINC000273431094 1122232925 /nfs/dbraw/zinc/23/29/25/1122232925.db2.gz LCGWRLHBSMHXTF-UKRRQHHQSA-N 0 3 289.375 3.722 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC000273451667 1122233831 /nfs/dbraw/zinc/23/38/31/1122233831.db2.gz GCMYUMHOZRULDP-XHSDSOJGSA-N 0 3 291.435 3.945 20 10 CHCDHN Cc1ccn2cc(CN[C@H](C)c3ccc(C)cc3O)nc2c1 ZINC000273550395 1122238913 /nfs/dbraw/zinc/23/89/13/1122238913.db2.gz FTFXIPHWOJWOFN-CQSZACIVSA-N 0 3 295.386 3.508 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1F ZINC000183393000 1129051668 /nfs/dbraw/zinc/05/16/68/1129051668.db2.gz ZBTUWQJDOIFAOG-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1[O-] ZINC000183510825 1129060233 /nfs/dbraw/zinc/06/02/33/1129060233.db2.gz WDVPTBKWXMSDLB-RNVIBTMRSA-N 0 3 253.345 3.756 20 10 CHCDHN CC[C@@H]([NH2+]CCOc1ccc(F)cc1)c1ccccc1[O-] ZINC000775415632 1122557725 /nfs/dbraw/zinc/55/77/25/1122557725.db2.gz UAYOITSAZFHWOZ-MRXNPFEDSA-N 0 3 289.350 3.651 20 10 CHCDHN CC[C@H]([NH2+]CCN1CCCC[C@@H]1CC)c1ccccc1[O-] ZINC000775504090 1122630922 /nfs/dbraw/zinc/63/09/22/1122630922.db2.gz SCHKSXLEZPJRMR-RDJZCZTQSA-N 0 3 290.451 3.697 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cnccc1C)c1ccccc1[O-] ZINC000775519610 1122638352 /nfs/dbraw/zinc/63/83/52/1122638352.db2.gz MSLSCFBDWBCPQP-XJKSGUPXSA-N 0 3 270.376 3.898 20 10 CHCDHN CC[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccccc1[O-] ZINC000775525601 1122645975 /nfs/dbraw/zinc/64/59/75/1122645975.db2.gz XNBOUEDVOWTRPY-JCGIZDLHSA-N 0 3 299.414 3.598 20 10 CHCDHN CCOc1ccccc1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183596328 1129068664 /nfs/dbraw/zinc/06/86/64/1129068664.db2.gz POFSTYJROUGINE-CQSZACIVSA-N 0 3 285.387 3.684 20 10 CHCDHN CCC[C@H](C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000775642083 1122849993 /nfs/dbraw/zinc/84/99/93/1122849993.db2.gz AIWCGKFZDZKXTQ-RDJZCZTQSA-N 0 3 291.435 3.809 20 10 CHCDHN CCC[C@H](C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000775642083 1122849997 /nfs/dbraw/zinc/84/99/97/1122849997.db2.gz AIWCGKFZDZKXTQ-RDJZCZTQSA-N 0 3 291.435 3.809 20 10 CHCDHN Cc1ccc(F)cc1CNCc1ccc2c(c1)CCCN2C ZINC001199821989 1123043877 /nfs/dbraw/zinc/04/38/77/1123043877.db2.gz DTHVAPFCSDPVJS-UHFFFAOYSA-N 0 3 298.405 3.806 20 10 CHCDHN CCCC(O)(CCC)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776208384 1123148716 /nfs/dbraw/zinc/14/87/16/1123148716.db2.gz BOJWFKXHGYNAOM-UHFFFAOYSA-N 0 3 299.842 3.775 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCCCCO ZINC000776257103 1123189343 /nfs/dbraw/zinc/18/93/43/1123189343.db2.gz IAZSBXPTHMYZFW-UHFFFAOYSA-N 0 3 299.414 3.702 20 10 CHCDHN CC[C@@](C)([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000107717662 1123226911 /nfs/dbraw/zinc/22/69/11/1123226911.db2.gz SWILGYAQKJJWRK-QGZVFWFLSA-N 0 3 255.361 3.807 20 10 CHCDHN CCOc1ccc(CNCc2ccc3c(c2)CCO3)c(C)c1 ZINC000850111862 1123243323 /nfs/dbraw/zinc/24/33/23/1123243323.db2.gz PATJGKYULXCPHS-UHFFFAOYSA-N 0 3 297.398 3.618 20 10 CHCDHN CC1(C)C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CO1 ZINC000850341267 1123253998 /nfs/dbraw/zinc/25/39/98/1123253998.db2.gz DZCRVFWSPZCVDQ-QGZVFWFLSA-N 0 3 297.398 3.716 20 10 CHCDHN COc1ccc(CNCc2cccc(OC)c2C)cc1C ZINC000850416268 1123264735 /nfs/dbraw/zinc/26/47/35/1123264735.db2.gz FANLENRWLXDJSX-UHFFFAOYSA-N 0 3 285.387 3.610 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(C)cc1[O-] ZINC000850483549 1123274552 /nfs/dbraw/zinc/27/45/52/1123274552.db2.gz ZTXFDMOUZGJNTM-ZBFHGGJFSA-N 0 3 290.451 3.614 20 10 CHCDHN CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000850500812 1123275537 /nfs/dbraw/zinc/27/55/37/1123275537.db2.gz GMEPVXMCGDKDRY-ZDUSSCGKSA-N 0 3 279.424 3.620 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cnccc1C)c1ccc(C)cc1[O-] ZINC000850505837 1123275947 /nfs/dbraw/zinc/27/59/47/1123275947.db2.gz ZIGRAWJXSFZWHJ-QGZVFWFLSA-N 0 3 284.403 3.687 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)c1[O-] ZINC000850523804 1123279701 /nfs/dbraw/zinc/27/97/01/1123279701.db2.gz POSWUSCFRWMVEB-WCQYABFASA-N 0 3 295.810 3.716 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCCOC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000850527228 1123282345 /nfs/dbraw/zinc/28/23/45/1123282345.db2.gz VNKCWFZHJCHVBN-YPMHNXCESA-N 0 3 295.398 3.874 20 10 CHCDHN COCc1csc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000850531688 1123284833 /nfs/dbraw/zinc/28/48/33/1123284833.db2.gz FWXCBFLZPOBYNE-SNVBAGLBSA-N 0 3 295.379 3.590 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)c([O-])c1 ZINC000850543310 1123289243 /nfs/dbraw/zinc/28/92/43/1123289243.db2.gz HPEUNDOTHRSVMN-SJKOYZFVSA-N 0 3 283.371 3.744 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccccc1[O-] ZINC000850553633 1123289906 /nfs/dbraw/zinc/28/99/06/1123289906.db2.gz ZTLVEOLXQCCNEM-AAEUAGOBSA-N 0 3 269.335 3.724 20 10 CHCDHN CC[C@H]([NH2+]CCCc1ccco1)c1ccc(C)cc1[O-] ZINC000850570283 1123294467 /nfs/dbraw/zinc/29/44/67/1123294467.db2.gz TYHFSFAJRLKMIA-INIZCTEOSA-N 0 3 273.376 3.967 20 10 CHCDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000853240139 1123428944 /nfs/dbraw/zinc/42/89/44/1123428944.db2.gz GRFCJIQNXLSOAH-LLVKDONJSA-N 0 3 287.325 3.948 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccccc1[O-] ZINC000854226056 1123478206 /nfs/dbraw/zinc/47/82/06/1123478206.db2.gz MNPGJUPOYZBAPG-SJORKVTESA-N 0 3 282.387 3.703 20 10 CHCDHN Cc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)ccn1 ZINC000856721763 1123565750 /nfs/dbraw/zinc/56/57/50/1123565750.db2.gz NMZUDRXALRQHCN-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN CCCc1ccc(C[NH2+]Cc2ccccc2[O-])s1 ZINC000856769285 1123567348 /nfs/dbraw/zinc/56/73/48/1123567348.db2.gz XDWJWZNIVIMCKS-UHFFFAOYSA-N 0 3 261.390 3.696 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(C)cc1[O-] ZINC000857080646 1123585128 /nfs/dbraw/zinc/58/51/28/1123585128.db2.gz JZBDXYIHDCYYFO-YPMHNXCESA-N 0 3 269.335 3.787 20 10 CHCDHN Cc1cc(N(C)C)ccc1CNCc1ccc(F)c(F)c1 ZINC000115629082 1123620057 /nfs/dbraw/zinc/62/00/57/1123620057.db2.gz GEBQUICCUQJWIR-UHFFFAOYSA-N 0 3 290.357 3.629 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2C)c([O-])c1 ZINC000896796497 1123627540 /nfs/dbraw/zinc/62/75/40/1123627540.db2.gz DDWCUBZEPNZNCH-CYBMUJFWSA-N 0 3 273.351 3.999 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2C)c([O-])c1 ZINC000896802600 1123628278 /nfs/dbraw/zinc/62/82/78/1123628278.db2.gz DDWCUBZEPNZNCH-ZDUSSCGKSA-N 0 3 273.351 3.999 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)CC2)c1[O-] ZINC000228631217 1123634240 /nfs/dbraw/zinc/63/42/40/1123634240.db2.gz HLIBFECXFGVBKI-NSHDSACASA-N 0 3 283.799 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)CC2)c1[O-] ZINC000228631217 1123634243 /nfs/dbraw/zinc/63/42/43/1123634243.db2.gz HLIBFECXFGVBKI-NSHDSACASA-N 0 3 283.799 3.676 20 10 CHCDHN Cc1ccc([C@H](C)N[C@H](C)c2ccns2)c(O)c1C ZINC000858575588 1123664014 /nfs/dbraw/zinc/66/40/14/1123664014.db2.gz BLRDDKNFWXWEAS-NWDGAFQWSA-N 0 3 276.405 3.877 20 10 CHCDHN CC[C@H](NCc1cc(O)ccc1Cl)c1ccccc1O ZINC000859233312 1123691971 /nfs/dbraw/zinc/69/19/71/1123691971.db2.gz QZQHVWRWNJSFPQ-HNNXBMFYSA-N 0 3 291.778 3.992 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c([O-])c1 ZINC000763645533 1129154057 /nfs/dbraw/zinc/15/40/57/1129154057.db2.gz HQHWAQLPKPULPW-CYBMUJFWSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)C[C@H]2C)c([O-])c1 ZINC000763645533 1129154059 /nfs/dbraw/zinc/15/40/59/1129154059.db2.gz HQHWAQLPKPULPW-CYBMUJFWSA-N 0 3 275.392 3.555 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794791560 1123949189 /nfs/dbraw/zinc/94/91/89/1123949189.db2.gz AUDGTSJDKLONPK-QGZVFWFLSA-N 0 3 269.388 3.984 20 10 CHCDHN CC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(C)cc1[O-] ZINC000794794829 1123949986 /nfs/dbraw/zinc/94/99/86/1123949986.db2.gz RBDJQURLMNVTCN-MRXNPFEDSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@H]([NH2+]CCCOCC(C)C)c1ccc(C)cc1[O-] ZINC000794793554 1123950750 /nfs/dbraw/zinc/95/07/50/1123950750.db2.gz PAOWLDLICYGFIG-INIZCTEOSA-N 0 3 279.424 3.804 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794802491 1123950823 /nfs/dbraw/zinc/95/08/23/1123950823.db2.gz NNWGJFXGCOJDBK-IEBWSBKVSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H](NCc1ncc(C)s1)c1ccc(C)cc1O ZINC000794802640 1123952564 /nfs/dbraw/zinc/95/25/64/1123952564.db2.gz OMLIFLRDZKYMHG-ZDUSSCGKSA-N 0 3 276.405 3.706 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794805589 1123953733 /nfs/dbraw/zinc/95/37/33/1123953733.db2.gz XTEHFXKUPWJUST-UKRRQHHQSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(C)cc1[O-] ZINC000794806258 1123955336 /nfs/dbraw/zinc/95/53/36/1123955336.db2.gz ZMVCAISYMRUXCI-INIZCTEOSA-N 0 3 291.435 3.684 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(C)cc1[O-] ZINC000794806259 1123955506 /nfs/dbraw/zinc/95/55/06/1123955506.db2.gz ZMVCAISYMRUXCI-MRXNPFEDSA-N 0 3 291.435 3.684 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000794815945 1123959205 /nfs/dbraw/zinc/95/92/05/1123959205.db2.gz MKUUQGDJCSAAKM-ZOBUZTSGSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(C)cc1[O-] ZINC000794817831 1123960974 /nfs/dbraw/zinc/96/09/74/1123960974.db2.gz RMTUYVWPKWNCNT-OAHLLOKOSA-N 0 3 259.393 3.932 20 10 CHCDHN C[C@@H]([NH2+]CCCc1ccccc1F)c1ccccc1[O-] ZINC000794840485 1123988720 /nfs/dbraw/zinc/98/87/20/1123988720.db2.gz IXYGMEVHIYHNRX-CYBMUJFWSA-N 0 3 273.351 3.815 20 10 CHCDHN CCOc1ccc(C[NH2+]Cc2csc(C)c2C)c([O-])c1 ZINC000865679984 1124004722 /nfs/dbraw/zinc/00/47/22/1124004722.db2.gz MNMUZHJOCSLJLH-UHFFFAOYSA-N 0 3 291.416 3.759 20 10 CHCDHN COc1cccc([C@@H](C)NCc2cccc(F)c2F)c1O ZINC000866476782 1124069791 /nfs/dbraw/zinc/06/97/91/1124069791.db2.gz SCFKKEHPIURSGL-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c([O-])c1 ZINC000866513008 1124076035 /nfs/dbraw/zinc/07/60/35/1124076035.db2.gz RADDFZCHHPJQLN-JCKWVBRZSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000866511182 1124076137 /nfs/dbraw/zinc/07/61/37/1124076137.db2.gz BHJJYLGSFSQFAR-JOQOYGCGSA-N 0 3 289.419 3.556 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccccc1[O-] ZINC000866562721 1124082657 /nfs/dbraw/zinc/08/26/57/1124082657.db2.gz GNWZXAPBGPWMEB-MSOLQXFVSA-N 0 3 296.414 3.620 20 10 CHCDHN CC[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866622790 1124091614 /nfs/dbraw/zinc/09/16/14/1124091614.db2.gz JBUFCHGMBOALLB-WBVHZDCISA-N 0 3 289.419 3.925 20 10 CHCDHN COCC(C)(C)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000872104740 1124682386 /nfs/dbraw/zinc/68/23/86/1124682386.db2.gz OIHQXTYCWIXSBO-AAEUAGOBSA-N 0 3 295.398 3.732 20 10 CHCDHN CCCOc1ccc(CNCc2ccc(CO)cc2)cc1C ZINC000873133117 1124740069 /nfs/dbraw/zinc/74/00/69/1124740069.db2.gz DLOFLPBZDRKVAN-UHFFFAOYSA-N 0 3 299.414 3.566 20 10 CHCDHN COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000020088165 1124804746 /nfs/dbraw/zinc/80/47/46/1124804746.db2.gz PBCYGEVDMBCNOZ-CQSZACIVSA-N 0 3 285.387 3.603 20 10 CHCDHN COc1ccccc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000020096564 1124805399 /nfs/dbraw/zinc/80/53/99/1124805399.db2.gz VCKVIHDKARVCJD-AWEZNQCLSA-N 0 3 284.403 3.612 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000124974027 1124829048 /nfs/dbraw/zinc/82/90/48/1124829048.db2.gz JBWLLZJLGZPBRF-QGZVFWFLSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000124974027 1124829056 /nfs/dbraw/zinc/82/90/56/1124829056.db2.gz JBWLLZJLGZPBRF-QGZVFWFLSA-N 0 3 297.398 3.608 20 10 CHCDHN Cc1ccc(C[NH2+]C(C)(C)c2ccccc2)c([O-])c1 ZINC000876972860 1124992883 /nfs/dbraw/zinc/99/28/83/1124992883.db2.gz QFCNSGZTYIOYOB-UHFFFAOYSA-N 0 3 255.361 3.726 20 10 CHCDHN COc1cccc([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000876952183 1124992929 /nfs/dbraw/zinc/99/29/29/1124992929.db2.gz YGJFCSVAYSVHPN-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cccc([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000876952162 1124993645 /nfs/dbraw/zinc/99/36/45/1124993645.db2.gz YGJFCSVAYSVHPN-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN Cc1ccc(CN[C@H]2COc3c2cccc3Cl)c(O)c1 ZINC000877094214 1125008831 /nfs/dbraw/zinc/00/88/31/1125008831.db2.gz IDNWORCVNLDCTJ-AWEZNQCLSA-N 0 3 289.762 3.577 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1Cl ZINC000825943686 1125017629 /nfs/dbraw/zinc/01/76/29/1125017629.db2.gz ICNAORPGZAGYCI-JTQLQIEISA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1Cl ZINC000825943686 1125017635 /nfs/dbraw/zinc/01/76/35/1125017635.db2.gz ICNAORPGZAGYCI-JTQLQIEISA-N 0 3 289.753 3.831 20 10 CHCDHN CCO[C@@H](C[NH2+]Cc1c(C)cccc1[O-])c1ccccc1 ZINC000877481564 1125032891 /nfs/dbraw/zinc/03/28/91/1125032891.db2.gz KZILGSSFMNPHPY-SFHVURJKSA-N 0 3 285.387 3.568 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H]2CSc3ccccc32)c([O-])c1 ZINC000877556900 1125045571 /nfs/dbraw/zinc/04/55/71/1125045571.db2.gz CCMXUOHVSOYMAN-AWEZNQCLSA-N 0 3 285.412 3.680 20 10 CHCDHN Cc1ccc(C[NH2+]C2CCC(C(F)F)CC2)c([O-])c1 ZINC000877585749 1125048374 /nfs/dbraw/zinc/04/83/74/1125048374.db2.gz VSICMFPUUFHCFM-UHFFFAOYSA-N 0 3 269.335 3.614 20 10 CHCDHN Cc1ccc(C[NH2+]C2CCC(OC(C)(C)C)CC2)c([O-])c1 ZINC000877682565 1125062977 /nfs/dbraw/zinc/06/29/77/1125062977.db2.gz PDZTUWNISPKSED-UHFFFAOYSA-N 0 3 291.435 3.917 20 10 CHCDHN Cc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1F ZINC000877755632 1125073231 /nfs/dbraw/zinc/07/32/31/1125073231.db2.gz IUXAZDWOONFFMC-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877757631 1125074384 /nfs/dbraw/zinc/07/43/84/1125074384.db2.gz PBHIDNUGCHXHRW-GLJUWKHASA-N 0 3 285.387 3.819 20 10 CHCDHN CCn1nc(CN[C@@H](C)c2ccccc2O)c2ccccc21 ZINC000877757342 1125075087 /nfs/dbraw/zinc/07/50/87/1125075087.db2.gz RDSKURFHDFKSHH-ZDUSSCGKSA-N 0 3 295.386 3.613 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878242895 1125133905 /nfs/dbraw/zinc/13/39/05/1125133905.db2.gz WSHAYIXOLUHZTA-IEBWSBKVSA-N 0 3 297.398 3.744 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878242895 1125133908 /nfs/dbraw/zinc/13/39/08/1125133908.db2.gz WSHAYIXOLUHZTA-IEBWSBKVSA-N 0 3 297.398 3.744 20 10 CHCDHN COCC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000879649007 1125222312 /nfs/dbraw/zinc/22/23/12/1125222312.db2.gz GYXBGOUWGRBJGA-RHSMWYFYSA-N 0 3 285.387 3.821 20 10 CHCDHN C[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1O ZINC000879649413 1125222634 /nfs/dbraw/zinc/22/26/34/1125222634.db2.gz RGQJWNTZYHFHRO-SNVBAGLBSA-N 0 3 296.292 3.657 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H](C(C)C)CC2)c1[O-] ZINC000211444554 1125306414 /nfs/dbraw/zinc/30/64/14/1125306414.db2.gz DWCIERARVWVHHH-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H](C(C)C)CC2)c1[O-] ZINC000211444554 1125306418 /nfs/dbraw/zinc/30/64/18/1125306418.db2.gz DWCIERARVWVHHH-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1ccc([O-])c(C[N@H+](CC(C)C)C2CCCC2)c1 ZINC000211653088 1125314874 /nfs/dbraw/zinc/31/48/74/1125314874.db2.gz MBXKEAPNNMIGHD-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1ccc([O-])c(C[N@@H+](CC(C)C)C2CCCC2)c1 ZINC000211653088 1125314879 /nfs/dbraw/zinc/31/48/79/1125314879.db2.gz MBXKEAPNNMIGHD-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CCCC1(F)F)CC2 ZINC000883274702 1125390559 /nfs/dbraw/zinc/39/05/59/1125390559.db2.gz RYQUPEPIWQVJBW-CHWSQXEVSA-N 0 3 281.346 3.795 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cccc([N+](=O)[O-])c1 ZINC000295992124 1129220746 /nfs/dbraw/zinc/22/07/46/1129220746.db2.gz NUFDGPWWIFAWPO-NHYWBVRUSA-N 0 3 298.342 3.639 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2cc(F)cc(F)c2)c1 ZINC000184931838 1129264423 /nfs/dbraw/zinc/26/44/23/1129264423.db2.gz PIFQKOXAWTZVSQ-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN CCCC[N@H+](Cc1ccc(F)cn1)Cc1ccccc1[O-] ZINC000282571515 1129272915 /nfs/dbraw/zinc/27/29/15/1129272915.db2.gz ZQDAQGOMFHPKNP-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN CCCC[N@@H+](Cc1ccc(F)cn1)Cc1ccccc1[O-] ZINC000282571515 1129272918 /nfs/dbraw/zinc/27/29/18/1129272918.db2.gz ZQDAQGOMFHPKNP-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN C[C@]1([NH2+]Cc2ccccc2[O-])CCCc2ccccc21 ZINC000734844132 1129323875 /nfs/dbraw/zinc/32/38/75/1129323875.db2.gz VGMDIYRRHUMVLX-SFHVURJKSA-N 0 3 267.372 3.734 20 10 CHCDHN C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccccc1[O-] ZINC000091956663 1129375620 /nfs/dbraw/zinc/37/56/20/1129375620.db2.gz NWUPDNRRUCJKHT-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccccc1[O-] ZINC000091956663 1129375624 /nfs/dbraw/zinc/37/56/24/1129375624.db2.gz NWUPDNRRUCJKHT-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN Cc1noc(C)c1[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000092326648 1129386513 /nfs/dbraw/zinc/38/65/13/1129386513.db2.gz CRDKNGBUGSOJKP-MNOVXSKESA-N 0 3 274.364 3.717 20 10 CHCDHN CC[C@H](C)[C@H](C)[N@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000093132212 1129418073 /nfs/dbraw/zinc/41/80/73/1129418073.db2.gz DDCVSRMFIRZMLL-STQMWFEESA-N 0 3 277.408 3.800 20 10 CHCDHN CC[C@H](C)[C@H](C)[N@@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000093132212 1129418075 /nfs/dbraw/zinc/41/80/75/1129418075.db2.gz DDCVSRMFIRZMLL-STQMWFEESA-N 0 3 277.408 3.800 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000094617031 1129448102 /nfs/dbraw/zinc/44/81/02/1129448102.db2.gz NLMJWHPUGQZXLO-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN Cc1ccccc1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618518 1129448170 /nfs/dbraw/zinc/44/81/70/1129448170.db2.gz FNKCFQDSZSJKMA-ZDUSSCGKSA-N 0 3 273.351 3.733 20 10 CHCDHN C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616934 1129448604 /nfs/dbraw/zinc/44/86/04/1129448604.db2.gz LAPWQKLJMSSDPI-NEPJUHHUSA-N 0 3 277.339 3.796 20 10 CHCDHN CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]21 ZINC000742166382 1129468484 /nfs/dbraw/zinc/46/84/84/1129468484.db2.gz MLERNMQTJMCHAZ-IYBDPMFKSA-N 0 3 267.372 3.633 20 10 CHCDHN CC1(C)[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]21 ZINC000742166382 1129468487 /nfs/dbraw/zinc/46/84/87/1129468487.db2.gz MLERNMQTJMCHAZ-IYBDPMFKSA-N 0 3 267.372 3.633 20 10 CHCDHN Cc1ccc(C)c(OCC[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000303429789 1129542504 /nfs/dbraw/zinc/54/25/04/1129542504.db2.gz BRDBMEMCANMELU-UHFFFAOYSA-N 0 3 285.387 3.520 20 10 CHCDHN Cc1ccc(C)c(OCC[N@H+](C)Cc2ccccc2[O-])c1 ZINC000303429789 1129542506 /nfs/dbraw/zinc/54/25/06/1129542506.db2.gz BRDBMEMCANMELU-UHFFFAOYSA-N 0 3 285.387 3.520 20 10 CHCDHN CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1(C)C ZINC000766330174 1129604617 /nfs/dbraw/zinc/60/46/17/1129604617.db2.gz BQHTZCYBIHBTJN-KNXALSJPSA-N 0 3 295.398 3.774 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC000380325622 1129739756 /nfs/dbraw/zinc/73/97/56/1129739756.db2.gz PMUZFXYLQIISTB-RYUDHWBXSA-N 0 3 295.810 3.676 20 10 CHCDHN C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccccc1[O-] ZINC000828655691 1131394759 /nfs/dbraw/zinc/39/47/59/1131394759.db2.gz GJTYXPGTSYWAQQ-BXKDBHETSA-N 0 3 274.191 3.627 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]Cc1c(C)oc2ccccc21 ZINC000767194986 1129780826 /nfs/dbraw/zinc/78/08/26/1129780826.db2.gz TWMWGNJHQCWING-UHFFFAOYSA-N 0 3 297.354 3.745 20 10 CHCDHN COc1cccc(O)c1CNCc1c(C)oc2ccccc21 ZINC000767194986 1129780829 /nfs/dbraw/zinc/78/08/29/1129780829.db2.gz TWMWGNJHQCWING-UHFFFAOYSA-N 0 3 297.354 3.745 20 10 CHCDHN CCN(Cc1ccsc1)Cc1ccc(N(C)C)cc1 ZINC000768131905 1129835122 /nfs/dbraw/zinc/83/51/22/1129835122.db2.gz BBFLZEIPYHEXFA-UHFFFAOYSA-N 0 3 274.433 3.836 20 10 CHCDHN COc1cccc(C[N@H+](C2CC2)C2CCC(C)CC2)c1[O-] ZINC000768251942 1129847070 /nfs/dbraw/zinc/84/70/70/1129847070.db2.gz BSOZAJUCQRKYAI-UHFFFAOYSA-N 0 3 289.419 3.944 20 10 CHCDHN COc1cccc(C[N@@H+](C2CC2)C2CCC(C)CC2)c1[O-] ZINC000768251942 1129847073 /nfs/dbraw/zinc/84/70/73/1129847073.db2.gz BSOZAJUCQRKYAI-UHFFFAOYSA-N 0 3 289.419 3.944 20 10 CHCDHN CC(C)CCn1cccc1CN(C)Cc1ccccc1O ZINC000768873717 1129877651 /nfs/dbraw/zinc/87/76/51/1129877651.db2.gz VMOAJPQZHIMLOH-UHFFFAOYSA-N 0 3 286.419 3.872 20 10 CHCDHN Cc1cc(C)c(C[N@H+](C)Cc2ccccc2[O-])cc1C ZINC000768870984 1129878661 /nfs/dbraw/zinc/87/86/61/1129878661.db2.gz GJGRNURYHILKRM-UHFFFAOYSA-N 0 3 269.388 3.949 20 10 CHCDHN Cc1cc(C)c(C[N@@H+](C)Cc2ccccc2[O-])cc1C ZINC000768870984 1129878664 /nfs/dbraw/zinc/87/86/64/1129878664.db2.gz GJGRNURYHILKRM-UHFFFAOYSA-N 0 3 269.388 3.949 20 10 CHCDHN C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccccc1[O-] ZINC000800500544 1129881743 /nfs/dbraw/zinc/88/17/43/1129881743.db2.gz FBFSLIYQWCVPJS-ZDUSSCGKSA-N 0 3 280.371 3.767 20 10 CHCDHN C[C@H]1OCCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H]1C ZINC000769422002 1129907337 /nfs/dbraw/zinc/90/73/37/1129907337.db2.gz DZBTYNLANJJTIA-HUUCEWRRSA-N 0 3 297.398 3.668 20 10 CHCDHN Cc1ccc(O)c(CN2CCc3cccc(F)c3[C@@H]2C)c1 ZINC000769426663 1129907992 /nfs/dbraw/zinc/90/79/92/1129907992.db2.gz VTLKCQHWOGSPOW-ZDUSSCGKSA-N 0 3 285.362 3.959 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000769498648 1129914264 /nfs/dbraw/zinc/91/42/64/1129914264.db2.gz NTUSHKQWBQQRHK-GOEBONIOSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000769498648 1129914267 /nfs/dbraw/zinc/91/42/67/1129914267.db2.gz NTUSHKQWBQQRHK-GOEBONIOSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+](CC(C)C)CC(C)(C)C)c1[O-] ZINC000769525202 1129915859 /nfs/dbraw/zinc/91/58/59/1129915859.db2.gz VKFWVUNQIGBQJJ-UHFFFAOYSA-N 0 3 279.424 3.905 20 10 CHCDHN COc1cccc(C[N@@H+](CC(C)C)CC(C)(C)C)c1[O-] ZINC000769525202 1129915861 /nfs/dbraw/zinc/91/58/61/1129915861.db2.gz VKFWVUNQIGBQJJ-UHFFFAOYSA-N 0 3 279.424 3.905 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000769538152 1129916201 /nfs/dbraw/zinc/91/62/01/1129916201.db2.gz TYBCWLBAQLQHTD-CQSZACIVSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CCC(C)C ZINC000769538152 1129916202 /nfs/dbraw/zinc/91/62/02/1129916202.db2.gz TYBCWLBAQLQHTD-CQSZACIVSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CCC(C)C ZINC000769538151 1129916608 /nfs/dbraw/zinc/91/66/08/1129916608.db2.gz TYBCWLBAQLQHTD-AWEZNQCLSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1CCC(C)C ZINC000769538151 1129916610 /nfs/dbraw/zinc/91/66/10/1129916610.db2.gz TYBCWLBAQLQHTD-AWEZNQCLSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000770505244 1129947926 /nfs/dbraw/zinc/94/79/26/1129947926.db2.gz KZHDLDSSFRLPOZ-OAHLLOKOSA-N 0 3 299.414 3.711 20 10 CHCDHN COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000770505244 1129947928 /nfs/dbraw/zinc/94/79/28/1129947928.db2.gz KZHDLDSSFRLPOZ-OAHLLOKOSA-N 0 3 299.414 3.711 20 10 CHCDHN C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccccc1[O-] ZINC000770506109 1129948414 /nfs/dbraw/zinc/94/84/14/1129948414.db2.gz SKEOHMFYFUKVHH-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccccc1[O-] ZINC000770506109 1129948416 /nfs/dbraw/zinc/94/84/16/1129948416.db2.gz SKEOHMFYFUKVHH-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])cc1 ZINC000770509479 1129948750 /nfs/dbraw/zinc/94/87/50/1129948750.db2.gz AESDQDZTFVJWJS-SFHVURJKSA-N 0 3 281.399 3.908 20 10 CHCDHN Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])cc1 ZINC000770509479 1129948753 /nfs/dbraw/zinc/94/87/53/1129948753.db2.gz AESDQDZTFVJWJS-SFHVURJKSA-N 0 3 281.399 3.908 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000770509480 1129948780 /nfs/dbraw/zinc/94/87/80/1129948780.db2.gz AIVHNIIWIMJLSJ-UHFFFAOYSA-N 0 3 259.393 3.939 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000770509480 1129948783 /nfs/dbraw/zinc/94/87/83/1129948783.db2.gz AIVHNIIWIMJLSJ-UHFFFAOYSA-N 0 3 259.393 3.939 20 10 CHCDHN CCCC[N@H+](Cc1ccoc1)Cc1ccccc1[O-] ZINC000802657623 1130026819 /nfs/dbraw/zinc/02/68/19/1130026819.db2.gz LKVNILJFRDUGMB-UHFFFAOYSA-N 0 3 259.349 3.788 20 10 CHCDHN CCCC[N@@H+](Cc1ccoc1)Cc1ccccc1[O-] ZINC000802657623 1130026824 /nfs/dbraw/zinc/02/68/24/1130026824.db2.gz LKVNILJFRDUGMB-UHFFFAOYSA-N 0 3 259.349 3.788 20 10 CHCDHN C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cc(F)ccc1[O-] ZINC000903335406 1130160505 /nfs/dbraw/zinc/16/05/05/1130160505.db2.gz OTKCLGUPCIYOIV-DIFFPNOSSA-N 0 3 286.350 3.728 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)CC2 ZINC000903339764 1130162684 /nfs/dbraw/zinc/16/26/84/1130162684.db2.gz CWZILQKZPLDUNX-YPMHNXCESA-N 0 3 281.346 3.795 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1ccccc1[O-] ZINC000903403630 1130171107 /nfs/dbraw/zinc/17/11/07/1130171107.db2.gz DJDDPKZESQFBKW-UONOGXRCSA-N 0 3 299.418 3.801 20 10 CHCDHN C[C@H](CC[N@H+](C)Cc1ccccc1[O-])OCc1ccccc1 ZINC000789348823 1130242840 /nfs/dbraw/zinc/24/28/40/1130242840.db2.gz REVBUVQUWVBABC-MRXNPFEDSA-N 0 3 299.414 3.819 20 10 CHCDHN C[C@H](CC[N@@H+](C)Cc1ccccc1[O-])OCc1ccccc1 ZINC000789348823 1130242846 /nfs/dbraw/zinc/24/28/46/1130242846.db2.gz REVBUVQUWVBABC-MRXNPFEDSA-N 0 3 299.414 3.819 20 10 CHCDHN COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000747100308 1130517834 /nfs/dbraw/zinc/51/78/34/1130517834.db2.gz VOLYREUNBJAAIZ-ZIAGYGMSSA-N 0 3 285.387 3.683 20 10 CHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C2CC2)O1 ZINC000793214623 1130530997 /nfs/dbraw/zinc/53/09/97/1130530997.db2.gz PPHDCZPPVDQRFJ-ORAYPTAESA-N 0 3 297.398 3.545 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C2CC2)O1 ZINC000793214623 1130530998 /nfs/dbraw/zinc/53/09/98/1130530998.db2.gz PPHDCZPPVDQRFJ-ORAYPTAESA-N 0 3 297.398 3.545 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)CCC=C(C)C)c([O-])c1 ZINC000793387285 1130551405 /nfs/dbraw/zinc/55/14/05/1130551405.db2.gz BUVUPWKYYBFLAI-CYBMUJFWSA-N 0 3 263.381 3.625 20 10 CHCDHN Cc1cccc(C[N@H+](CC2CC2)CC2CCC2)c1[O-] ZINC000793388846 1130551619 /nfs/dbraw/zinc/55/16/19/1130551619.db2.gz JJAWFDWTPIQIRY-UHFFFAOYSA-N 0 3 259.393 3.713 20 10 CHCDHN Cc1cccc(C[N@@H+](CC2CC2)CC2CCC2)c1[O-] ZINC000793388846 1130551625 /nfs/dbraw/zinc/55/16/25/1130551625.db2.gz JJAWFDWTPIQIRY-UHFFFAOYSA-N 0 3 259.393 3.713 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccccc2C2CC2)c([O-])c1 ZINC000793386559 1130551712 /nfs/dbraw/zinc/55/17/12/1130551712.db2.gz WNAGYBGGIWRBGO-UHFFFAOYSA-N 0 3 283.371 3.568 20 10 CHCDHN CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793386280 1130552240 /nfs/dbraw/zinc/55/22/40/1130552240.db2.gz KESAAWDLAORWHN-TZMCWYRMSA-N 0 3 265.397 3.705 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)CCc2ccsc2)c([O-])c1 ZINC000793388465 1130552334 /nfs/dbraw/zinc/55/23/34/1130552334.db2.gz OMJOYJOFKPIEEV-LBPRGKRZSA-N 0 3 291.416 3.573 20 10 CHCDHN CCOc1cccc(C[NH+]2CCC(C)(C3CC3)CC2)c1[O-] ZINC000811514681 1130620276 /nfs/dbraw/zinc/62/02/76/1130620276.db2.gz PBXVOUGWCYRPOJ-UHFFFAOYSA-N 0 3 289.419 3.803 20 10 CHCDHN COc1ccc(CNC(C)(C)c2ccc(C)nc2)cc1C ZINC000759184536 1130642357 /nfs/dbraw/zinc/64/23/57/1130642357.db2.gz DBGBLGRHBGNQPA-UHFFFAOYSA-N 0 3 284.403 3.732 20 10 CHCDHN CC[C@H](C)[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658210 1130669354 /nfs/dbraw/zinc/66/93/54/1130669354.db2.gz XOQPXDNRAUHMBL-JKSUJKDBSA-N 0 3 290.451 3.642 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCCSCC1 ZINC000780892206 1130694646 /nfs/dbraw/zinc/69/46/46/1130694646.db2.gz CNLTZVOFSRZNDC-UHFFFAOYSA-N 0 3 299.439 3.998 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCCSCC1 ZINC000780892206 1130694649 /nfs/dbraw/zinc/69/46/49/1130694649.db2.gz CNLTZVOFSRZNDC-UHFFFAOYSA-N 0 3 299.439 3.998 20 10 CHCDHN CCc1cccc(CN(CC)Cc2ccc(N(C)C)cc2)n1 ZINC001235268164 1130731149 /nfs/dbraw/zinc/73/11/49/1130731149.db2.gz VFHJIGVPJBUYIS-UHFFFAOYSA-N 0 3 297.446 3.732 20 10 CHCDHN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000781920964 1130748162 /nfs/dbraw/zinc/74/81/62/1130748162.db2.gz CENQSVDCSQERJN-STQMWFEESA-N 0 3 287.382 3.699 20 10 CHCDHN CC(C)[C@H]1CN(Cc2ccc(C(C)(C)C)cc2O)CCO1 ZINC001235677079 1130766120 /nfs/dbraw/zinc/76/61/20/1130766120.db2.gz ANYDCACSDKUDMA-QGZVFWFLSA-N 0 3 291.435 3.547 20 10 CHCDHN CCCO[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679596 1130768470 /nfs/dbraw/zinc/76/84/70/1130768470.db2.gz GRKVDLPYXGTMHC-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN CCCO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235679596 1130768472 /nfs/dbraw/zinc/76/84/72/1130768472.db2.gz GRKVDLPYXGTMHC-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN Nc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC001235811497 1130782071 /nfs/dbraw/zinc/78/20/71/1130782071.db2.gz RGHTUTRVKKOTDV-QGZVFWFLSA-N 0 3 284.428 3.559 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)c2c1c(F)ccc2[O-] ZINC000813872899 1130792974 /nfs/dbraw/zinc/79/29/74/1130792974.db2.gz LGMJKBWICQVYMX-KCJUWKMLSA-N 0 3 285.309 3.715 20 10 CHCDHN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccccc1O ZINC000783505785 1130831809 /nfs/dbraw/zinc/83/18/09/1130831809.db2.gz XJIHRHBKAQPLPK-TYNCELHUSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccccc1[O-] ZINC000783505785 1130831819 /nfs/dbraw/zinc/83/18/19/1130831819.db2.gz XJIHRHBKAQPLPK-TYNCELHUSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1[O-] ZINC000783516097 1130832441 /nfs/dbraw/zinc/83/24/41/1130832441.db2.gz AXMLVLCJUQBXJM-YSVLISHTSA-N 0 3 267.372 3.674 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1ccccc1[O-] ZINC000783513752 1130832598 /nfs/dbraw/zinc/83/25/98/1130832598.db2.gz MNPIGHDDIWBXAY-SMDDNHRTSA-N 0 3 271.385 3.890 20 10 CHCDHN C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccccc1O ZINC000783518827 1130833639 /nfs/dbraw/zinc/83/36/39/1130833639.db2.gz PBJKIDLPSJJQCH-IINYFYTJSA-N 0 3 289.762 3.830 20 10 CHCDHN CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000699634275 1130912127 /nfs/dbraw/zinc/91/21/27/1130912127.db2.gz KXMCZKHPWSXZBF-UHFFFAOYSA-N 0 3 275.314 3.692 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)c([O-])c1 ZINC000784621586 1130912981 /nfs/dbraw/zinc/91/29/81/1130912981.db2.gz MISMSKYHBFLUSX-UHFFFAOYSA-N 0 3 299.361 3.849 20 10 CHCDHN CCSCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168809833 1130918091 /nfs/dbraw/zinc/91/80/91/1130918091.db2.gz VEDCKHUTZBMTSN-WDEREUQCSA-N 0 3 271.401 3.714 20 10 CHCDHN COc1ccccc1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000815013212 1130950574 /nfs/dbraw/zinc/95/05/74/1130950574.db2.gz RKJHHEPVLHMKSJ-UHFFFAOYSA-N 0 3 298.430 3.702 20 10 CHCDHN Cc1cc(CN(C)[C@@H](C)c2ccco2)ccc1N(C)C ZINC000815028083 1130953562 /nfs/dbraw/zinc/95/35/62/1130953562.db2.gz PWCQCOZPDHDXNC-AWEZNQCLSA-N 0 3 272.392 3.847 20 10 CHCDHN Cc1cc(Cl)cc(CNCc2ccc3c(c2)CCO3)c1 ZINC000815122672 1130959676 /nfs/dbraw/zinc/95/96/76/1130959676.db2.gz NPNKOMCGYZLTRC-UHFFFAOYSA-N 0 3 287.790 3.873 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c([O-])c1 ZINC000815598012 1131006090 /nfs/dbraw/zinc/00/60/90/1131006090.db2.gz KQPKOKNADFUWCT-WMLDXEAASA-N 0 3 293.451 3.703 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(C3CC3)CC2)c([O-])c1 ZINC000815597844 1131006603 /nfs/dbraw/zinc/00/66/03/1131006603.db2.gz HMJZKENVGYNBLZ-CYBMUJFWSA-N 0 3 259.393 3.850 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccc(C)cc2)c([O-])c1 ZINC001236790339 1131007379 /nfs/dbraw/zinc/00/73/79/1131007379.db2.gz WDLQICBCYXVVAN-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)c([O-])c1 ZINC001236790339 1131007380 /nfs/dbraw/zinc/00/73/80/1131007380.db2.gz WDLQICBCYXVVAN-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC001236790838 1131007434 /nfs/dbraw/zinc/00/74/34/1131007434.db2.gz YJITVLGDBYTUPO-KRWDZBQOSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC001236790838 1131007440 /nfs/dbraw/zinc/00/74/40/1131007440.db2.gz YJITVLGDBYTUPO-KRWDZBQOSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC001236794326 1131010093 /nfs/dbraw/zinc/01/00/93/1131010093.db2.gz LADXHZJOPXUCDH-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN CCc1ccc(C[N@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC001236794326 1131010097 /nfs/dbraw/zinc/01/00/97/1131010097.db2.gz LADXHZJOPXUCDH-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001236794774 1131010240 /nfs/dbraw/zinc/01/02/40/1131010240.db2.gz OIFUUZDKKMOROW-MRXNPFEDSA-N 0 3 296.414 3.729 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c([O-])c1 ZINC001236794774 1131010247 /nfs/dbraw/zinc/01/02/47/1131010247.db2.gz OIFUUZDKKMOROW-MRXNPFEDSA-N 0 3 296.414 3.729 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC001236812627 1131010766 /nfs/dbraw/zinc/01/07/66/1131010766.db2.gz CLZRXALIDRTKMO-AWEZNQCLSA-N 0 3 297.398 3.829 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC001236812627 1131010768 /nfs/dbraw/zinc/01/07/68/1131010768.db2.gz CLZRXALIDRTKMO-AWEZNQCLSA-N 0 3 297.398 3.829 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC23CCCCC3)c([O-])c1 ZINC001236807205 1131012542 /nfs/dbraw/zinc/01/25/42/1131012542.db2.gz DSMJKTHOONXZIP-UHFFFAOYSA-N 0 3 275.392 3.618 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC23CCCCC3)c([O-])c1 ZINC001236807205 1131012547 /nfs/dbraw/zinc/01/25/47/1131012547.db2.gz DSMJKTHOONXZIP-UHFFFAOYSA-N 0 3 275.392 3.618 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001236826450 1131015673 /nfs/dbraw/zinc/01/56/73/1131015673.db2.gz JUTHFZFYAVYNMB-CABCVRRESA-N 0 3 289.325 3.632 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001236826450 1131015682 /nfs/dbraw/zinc/01/56/82/1131015682.db2.gz JUTHFZFYAVYNMB-CABCVRRESA-N 0 3 289.325 3.632 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C[C@H]1F ZINC001236828057 1131015818 /nfs/dbraw/zinc/01/58/18/1131015818.db2.gz ZGAOTRFVTDFCGA-MLGOLLRUSA-N 0 3 273.351 3.725 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C[C@H]1F ZINC001236828057 1131015825 /nfs/dbraw/zinc/01/58/25/1131015825.db2.gz ZGAOTRFVTDFCGA-MLGOLLRUSA-N 0 3 273.351 3.725 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001236826689 1131015965 /nfs/dbraw/zinc/01/59/65/1131015965.db2.gz LSVHIUWEYWKYQU-LJQANCHMSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001236826689 1131015972 /nfs/dbraw/zinc/01/59/72/1131015972.db2.gz LSVHIUWEYWKYQU-LJQANCHMSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001236825667 1131016648 /nfs/dbraw/zinc/01/66/48/1131016648.db2.gz BEBNGDXKUISIFT-LPHOPBHVSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001236825667 1131016654 /nfs/dbraw/zinc/01/66/54/1131016654.db2.gz BEBNGDXKUISIFT-LPHOPBHVSA-N 0 3 297.398 3.546 20 10 CHCDHN CCN(Cc1ccccc1)c1ccc(CNCCF)cc1 ZINC000798087276 1131024738 /nfs/dbraw/zinc/02/47/38/1131024738.db2.gz USXYKGBBMLGIMB-UHFFFAOYSA-N 0 3 286.394 3.772 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000798086045 1131024974 /nfs/dbraw/zinc/02/49/74/1131024974.db2.gz IVVVXMYJYOHKFQ-SAZUREKKSA-N 0 3 271.335 3.567 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c([O-])c1 ZINC001237050637 1131040352 /nfs/dbraw/zinc/04/03/52/1131040352.db2.gz GCOIAFNDBPYWCB-SFHVURJKSA-N 0 3 289.419 3.518 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c([O-])c1 ZINC001237050637 1131040357 /nfs/dbraw/zinc/04/03/57/1131040357.db2.gz GCOIAFNDBPYWCB-SFHVURJKSA-N 0 3 289.419 3.518 20 10 CHCDHN CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@H](C)C1 ZINC001237051516 1131041716 /nfs/dbraw/zinc/04/17/16/1131041716.db2.gz MKYPJHDSPMRPIK-CJNGLKHVSA-N 0 3 277.408 3.515 20 10 CHCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@H](C)C1 ZINC001237051516 1131041723 /nfs/dbraw/zinc/04/17/23/1131041723.db2.gz MKYPJHDSPMRPIK-CJNGLKHVSA-N 0 3 277.408 3.515 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001237138271 1131055458 /nfs/dbraw/zinc/05/54/58/1131055458.db2.gz WMTCGCOYPLAILY-GHMZBOCLSA-N 0 3 285.309 3.643 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001237138096 1131056199 /nfs/dbraw/zinc/05/61/99/1131056199.db2.gz TXOZFKRTKJMNTA-LBPRGKRZSA-N 0 3 291.288 3.735 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001237138096 1131056204 /nfs/dbraw/zinc/05/62/04/1131056204.db2.gz TXOZFKRTKJMNTA-LBPRGKRZSA-N 0 3 291.288 3.735 20 10 CHCDHN CC[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237144502 1131058138 /nfs/dbraw/zinc/05/81/38/1131058138.db2.gz QMMQAGRWURKSTQ-SNVBAGLBSA-N 0 3 273.298 3.643 20 10 CHCDHN CC[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237144502 1131058145 /nfs/dbraw/zinc/05/81/45/1131058145.db2.gz QMMQAGRWURKSTQ-SNVBAGLBSA-N 0 3 273.298 3.643 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001237485778 1131103386 /nfs/dbraw/zinc/10/33/86/1131103386.db2.gz SJRIWKQRMKXIRT-UHFFFAOYSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001237485778 1131103390 /nfs/dbraw/zinc/10/33/90/1131103390.db2.gz SJRIWKQRMKXIRT-UHFFFAOYSA-N 0 3 269.335 3.568 20 10 CHCDHN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c(C)cccc1[O-] ZINC001237492115 1131104248 /nfs/dbraw/zinc/10/42/48/1131104248.db2.gz OJMUWRSLEHTHIP-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c(C)cccc1[O-] ZINC001237492115 1131104249 /nfs/dbraw/zinc/10/42/49/1131104249.db2.gz OJMUWRSLEHTHIP-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCCC2(C)C)cc1Br ZINC001237677352 1131126819 /nfs/dbraw/zinc/12/68/19/1131126819.db2.gz MKKSQQMTJDRZNJ-UHFFFAOYSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCCC2(C)C)cc1Br ZINC001237677352 1131126821 /nfs/dbraw/zinc/12/68/21/1131126821.db2.gz MKKSQQMTJDRZNJ-UHFFFAOYSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CC3(C2)CCCC3)c1[O-] ZINC001237681310 1131126871 /nfs/dbraw/zinc/12/68/71/1131126871.db2.gz MZDAOXMTONBSAI-UHFFFAOYSA-N 0 3 265.784 3.730 20 10 CHCDHN Cc1cc(Cl)cc(CN2CC3(C2)CCCC3)c1O ZINC001237681310 1131126875 /nfs/dbraw/zinc/12/68/75/1131126875.db2.gz MZDAOXMTONBSAI-UHFFFAOYSA-N 0 3 265.784 3.730 20 10 CHCDHN CC[N@H+](Cc1cc(Br)c(C)cc1[O-])C(C)C ZINC001237677854 1131126956 /nfs/dbraw/zinc/12/69/56/1131126956.db2.gz QLOJEKJNNOBBFW-UHFFFAOYSA-N 0 3 286.213 3.693 20 10 CHCDHN CC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C(C)C ZINC001237677854 1131126960 /nfs/dbraw/zinc/12/69/60/1131126960.db2.gz QLOJEKJNNOBBFW-UHFFFAOYSA-N 0 3 286.213 3.693 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+](C)CC(C)C)cc1Br ZINC001237678259 1131127487 /nfs/dbraw/zinc/12/74/87/1131127487.db2.gz XFMUOWPEUHTDRV-UHFFFAOYSA-N 0 3 286.213 3.551 20 10 CHCDHN Cc1cc([O-])c(C[N@H+](C)CC(C)C)cc1Br ZINC001237678259 1131127491 /nfs/dbraw/zinc/12/74/91/1131127491.db2.gz XFMUOWPEUHTDRV-UHFFFAOYSA-N 0 3 286.213 3.551 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)C2CCCCC2)c1[O-] ZINC001238055734 1131165305 /nfs/dbraw/zinc/16/53/05/1131165305.db2.gz CRYWVIRKRIGGIY-UHFFFAOYSA-N 0 3 251.345 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)C2CCCCC2)c1[O-] ZINC001238055734 1131165307 /nfs/dbraw/zinc/16/53/07/1131165307.db2.gz CRYWVIRKRIGGIY-UHFFFAOYSA-N 0 3 251.345 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c1[O-] ZINC001238065906 1131166358 /nfs/dbraw/zinc/16/63/58/1131166358.db2.gz FYOLKNIJWFQCKA-FUKZOUPISA-N 0 3 265.372 3.850 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c1[O-] ZINC001238065906 1131166362 /nfs/dbraw/zinc/16/63/62/1131166362.db2.gz FYOLKNIJWFQCKA-FUKZOUPISA-N 0 3 265.372 3.850 20 10 CHCDHN CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCO1 ZINC000817586762 1131174450 /nfs/dbraw/zinc/17/44/50/1131174450.db2.gz SBNQVSMDPPNXED-SFTQSGBHSA-N 0 3 293.382 3.627 20 10 CHCDHN CC[C@H]([NH2+]CC1(N)CCCCC1)c1cccc(Cl)c1[O-] ZINC000817938602 1131188187 /nfs/dbraw/zinc/18/81/87/1131188187.db2.gz OFWGSEAZXOXIJD-AWEZNQCLSA-N 0 3 296.842 3.748 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccc(C)cc1[O-] ZINC000817958856 1131191382 /nfs/dbraw/zinc/19/13/82/1131191382.db2.gz ZXGZDQFQGFTMAI-KRWDZBQOSA-N 0 3 284.403 3.566 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000817981253 1131195310 /nfs/dbraw/zinc/19/53/10/1131195310.db2.gz IAZSZOJTAWVLQH-GJZGRUSLSA-N 0 3 296.842 3.604 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)OC)c1ccccc1[O-] ZINC000824590755 1131476736 /nfs/dbraw/zinc/47/67/36/1131476736.db2.gz PJDMMTMOMWCRHD-AEFFLSMTSA-N 0 3 299.414 3.691 20 10 CHCDHN C[C@@H](CCCCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824653452 1131478364 /nfs/dbraw/zinc/47/83/64/1131478364.db2.gz BJEIBVGHLWKWET-HNNXBMFYSA-N 0 3 299.414 3.700 20 10 CHCDHN Cc1c(CN(C)Cc2ccncc2)c2ccccc2n1C ZINC001138252543 1131481997 /nfs/dbraw/zinc/48/19/97/1131481997.db2.gz KSRMYZYNGOMEAN-UHFFFAOYSA-N 0 3 279.387 3.514 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C(C)C)C1)c1ccccc1[O-] ZINC000824798825 1131484669 /nfs/dbraw/zinc/48/46/69/1131484669.db2.gz GRYVLRAUADSDTG-HFTRVMKXSA-N 0 3 291.435 3.884 20 10 CHCDHN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824903387 1131487709 /nfs/dbraw/zinc/48/77/09/1131487709.db2.gz FWEBXYUNSYPSPW-IEBWSBKVSA-N 0 3 297.398 3.716 20 10 CHCDHN C[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CCC1(F)F ZINC001138354472 1131493853 /nfs/dbraw/zinc/49/38/53/1131493853.db2.gz LBLOURMGAJOALT-CYBMUJFWSA-N 0 3 294.389 3.546 20 10 CHCDHN Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)Cc1ccccc1[O-] ZINC001138414268 1131501177 /nfs/dbraw/zinc/50/11/77/1131501177.db2.gz UUXGAIHATBEBAQ-UHFFFAOYSA-N 0 3 298.361 3.953 20 10 CHCDHN Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)Cc1ccccc1[O-] ZINC001138414268 1131501179 /nfs/dbraw/zinc/50/11/79/1131501179.db2.gz UUXGAIHATBEBAQ-UHFFFAOYSA-N 0 3 298.361 3.953 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccccc1[O-] ZINC000825240628 1131503292 /nfs/dbraw/zinc/50/32/92/1131503292.db2.gz OTTOCHIZTJYUPN-HNNXBMFYSA-N 0 3 291.435 3.764 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccccc1[O-] ZINC000844924559 1131608109 /nfs/dbraw/zinc/60/81/09/1131608109.db2.gz LXAIIQXBMWQGMY-GOEBONIOSA-N 0 3 296.414 3.860 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001140059214 1131659944 /nfs/dbraw/zinc/65/99/44/1131659944.db2.gz ZOXFBZNUCSKTHW-AWEZNQCLSA-N 0 3 281.346 3.636 20 10 CHCDHN C[N@H+](CCc1ccccc1Cl)Cc1cc(F)ccc1[O-] ZINC001140055162 1131660272 /nfs/dbraw/zinc/66/02/72/1131660272.db2.gz MOOOMODFHBNOSA-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN C[N@@H+](CCc1ccccc1Cl)Cc1cc(F)ccc1[O-] ZINC001140055162 1131660273 /nfs/dbraw/zinc/66/02/73/1131660273.db2.gz MOOOMODFHBNOSA-UHFFFAOYSA-N 0 3 293.769 3.859 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2cccs2)CC1 ZINC001140055176 1131660441 /nfs/dbraw/zinc/66/04/41/1131660441.db2.gz AKXMVIBAVDFUMG-UHFFFAOYSA-N 0 3 291.391 3.972 20 10 CHCDHN COc1ccc(O)c(CNCc2ccc(C)cc2Cl)c1 ZINC000845935861 1131671805 /nfs/dbraw/zinc/67/18/05/1131671805.db2.gz CAWOVFVHFQDFNV-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC23CCCC3)c1[O-] ZINC000846000538 1131677056 /nfs/dbraw/zinc/67/70/56/1131677056.db2.gz SNWHPTKRNCLAED-UHFFFAOYSA-N 0 3 281.783 3.573 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC23CCCC3)c1[O-] ZINC000846000538 1131677057 /nfs/dbraw/zinc/67/70/57/1131677057.db2.gz SNWHPTKRNCLAED-UHFFFAOYSA-N 0 3 281.783 3.573 20 10 CHCDHN CSc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834530114 1131681832 /nfs/dbraw/zinc/68/18/32/1131681832.db2.gz BXDQGMYOABMHNA-HNNXBMFYSA-N 0 3 285.412 3.891 20 10 CHCDHN C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834526336 1131682060 /nfs/dbraw/zinc/68/20/60/1131682060.db2.gz GYKOGXZEJWQVAM-LRDDRELGSA-N 0 3 285.362 3.739 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846110831 1131687280 /nfs/dbraw/zinc/68/72/80/1131687280.db2.gz OLWAGNULIMAAFN-SNVBAGLBSA-N 0 3 292.181 3.595 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3ccc(F)cc31)CC2 ZINC000834640882 1131690311 /nfs/dbraw/zinc/69/03/11/1131690311.db2.gz SAQPWIFGYPBFLC-HOTGVXAUSA-N 0 3 283.346 3.796 20 10 CHCDHN CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834698220 1131695150 /nfs/dbraw/zinc/69/51/50/1131695150.db2.gz WSQJRYYIHNFRAK-MLGOLLRUSA-N 0 3 282.387 3.688 20 10 CHCDHN CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834698217 1131695206 /nfs/dbraw/zinc/69/52/06/1131695206.db2.gz WSQJRYYIHNFRAK-BLLLJJGKSA-N 0 3 282.387 3.688 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)CC2 ZINC000834722743 1131697707 /nfs/dbraw/zinc/69/77/07/1131697707.db2.gz YTZVRJQADUWPAN-OAHLLOKOSA-N 0 3 283.346 3.798 20 10 CHCDHN C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccccc1[O-] ZINC000846185852 1131698005 /nfs/dbraw/zinc/69/80/05/1131698005.db2.gz UDTRKNACVWEWIU-LEWSCRJBSA-N 0 3 271.763 3.748 20 10 CHCDHN CS[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C(C)(C)C ZINC000834759890 1131703467 /nfs/dbraw/zinc/70/34/67/1131703467.db2.gz GPQOGVZQIJIAGS-GXTWGEPZSA-N 0 3 279.449 3.747 20 10 CHCDHN CO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])Cc1ccccc1 ZINC000834856648 1131712631 /nfs/dbraw/zinc/71/26/31/1131712631.db2.gz SVIPGLOHAGDMEO-NVXWUHKLSA-N 0 3 299.414 3.609 20 10 CHCDHN Cc1ccc(F)c(CC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000834892392 1131719582 /nfs/dbraw/zinc/71/95/82/1131719582.db2.gz MHWWUVPDPHNJRE-CYBMUJFWSA-N 0 3 273.351 3.733 20 10 CHCDHN Cc1cc(CN[C@@H](C)c2ccsc2)ccc1N(C)C ZINC000772994838 1131873376 /nfs/dbraw/zinc/87/33/76/1131873376.db2.gz BSKUDTBBMFFJSJ-ZDUSSCGKSA-N 0 3 274.433 3.973 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001140948108 1131969072 /nfs/dbraw/zinc/96/90/72/1131969072.db2.gz TZALAMBINABZCS-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN Cc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001140948108 1131969076 /nfs/dbraw/zinc/96/90/76/1131969076.db2.gz TZALAMBINABZCS-UHFFFAOYSA-N 0 3 259.393 3.857 20 10 CHCDHN Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001140957482 1131973183 /nfs/dbraw/zinc/97/31/83/1131973183.db2.gz AQLULMURBOCGOI-UHFFFAOYSA-N 0 3 267.372 3.865 20 10 CHCDHN Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001140957482 1131973189 /nfs/dbraw/zinc/97/31/89/1131973189.db2.gz AQLULMURBOCGOI-UHFFFAOYSA-N 0 3 267.372 3.865 20 10 CHCDHN C[C@H](NCc1ccccc1O)c1ccc(F)cc1F ZINC000036952737 1131982848 /nfs/dbraw/zinc/98/28/48/1131982848.db2.gz VZIYCDIKEAATHL-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(C)cc1 ZINC000037048092 1131990454 /nfs/dbraw/zinc/99/04/54/1131990454.db2.gz IMAYSANDEWDDMW-MRXNPFEDSA-N 0 3 255.361 3.942 20 10 CHCDHN CN(Cc1ccc2ccccc2c1)Cc1cc(O)ccc1O ZINC001141161848 1132030881 /nfs/dbraw/zinc/03/08/81/1132030881.db2.gz FZWOUPAQOJJHPE-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN Cc1cc(C)c(C[NH2+][C@H]2CCc3c(C)cccc3C2)c([O-])c1 ZINC001171561362 1132055725 /nfs/dbraw/zinc/05/57/25/1132055725.db2.gz YESXSCILXHSQKY-KRWDZBQOSA-N 0 3 295.426 3.965 20 10 CHCDHN C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C[C@H]1C ZINC001172379577 1132171251 /nfs/dbraw/zinc/17/12/51/1132171251.db2.gz ORFCPCVCZOOULJ-UMVBOHGHSA-N 0 3 259.393 3.575 20 10 CHCDHN C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C[C@H]1C ZINC001172379577 1132171255 /nfs/dbraw/zinc/17/12/55/1132171255.db2.gz ORFCPCVCZOOULJ-UMVBOHGHSA-N 0 3 259.393 3.575 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000839163400 1132187340 /nfs/dbraw/zinc/18/73/40/1132187340.db2.gz RFFDGWDIDFRKKZ-BXUZGUMPSA-N 0 3 291.753 3.830 20 10 CHCDHN CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000840859514 1132295724 /nfs/dbraw/zinc/29/57/24/1132295724.db2.gz MYFGNKCVMOHHKV-AHIWAGSCSA-N 0 3 277.408 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000840858967 1132295780 /nfs/dbraw/zinc/29/57/80/1132295780.db2.gz FGEKWZMMQRBCCZ-SCRDCRAPSA-N 0 3 265.422 3.635 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@](C)(OC)C1CC1)c1ccc(C)cc1[O-] ZINC000840858838 1132295804 /nfs/dbraw/zinc/29/58/04/1132295804.db2.gz GZHIPPALFDWLBD-OWQGQXMQSA-N 0 3 291.435 3.945 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)C1(OC)CCC1)c1ccc(C)cc1[O-] ZINC000840883916 1132303230 /nfs/dbraw/zinc/30/32/30/1132303230.db2.gz HDLCQBRRDONMCR-ZFWWWQNUSA-N 0 3 277.408 3.699 20 10 CHCDHN COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000840889626 1132304557 /nfs/dbraw/zinc/30/45/57/1132304557.db2.gz SSDZFMORASZSED-YEWWUXTCSA-N 0 3 297.398 3.855 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CC2(C1)CCCC2 ZINC001231587840 1132317224 /nfs/dbraw/zinc/31/72/24/1132317224.db2.gz ZUYUSKCRXGAHQK-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN COc1cc(N(C)C)ccc1CN(C)Cc1ccccc1C ZINC001231851772 1132377653 /nfs/dbraw/zinc/37/76/53/1132377653.db2.gz HPHNFYWXIYGDSF-UHFFFAOYSA-N 0 3 298.430 3.702 20 10 CHCDHN CCCC[C@H](CC(C)C)[NH2+]Cc1cccc(O)c1[O-] ZINC001173252524 1132422360 /nfs/dbraw/zinc/42/23/60/1132422360.db2.gz JGPSAPRWCZAQLD-CQSZACIVSA-N 0 3 265.397 3.792 20 10 CHCDHN CCN(Cc1ccc(SC)nc1)Cc1ccccc1O ZINC001232333654 1132456703 /nfs/dbraw/zinc/45/67/03/1132456703.db2.gz XFWIMWQJDHMLNE-UHFFFAOYSA-N 0 3 288.416 3.531 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c([O-])c1 ZINC000842736186 1132456831 /nfs/dbraw/zinc/45/68/31/1132456831.db2.gz CCWUPBGZGFGWOQ-SJLPKXTDSA-N 0 3 297.398 3.684 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccc1[O-] ZINC000842922893 1132476590 /nfs/dbraw/zinc/47/65/90/1132476590.db2.gz YYSQIMPGWIXYSH-GUTXKFCHSA-N 0 3 277.408 3.779 20 10 CHCDHN CC[C@@H]([NH2+]CC1CCC(F)CC1)c1ccccc1[O-] ZINC000842930685 1132477824 /nfs/dbraw/zinc/47/78/24/1132477824.db2.gz ZKUQHLBDLNQFRZ-SSDMNJCBSA-N 0 3 265.372 3.961 20 10 CHCDHN CC[N@H+](Cc1cc(C)cc(OC)c1)Cc1ccccc1[O-] ZINC001143159478 1132509599 /nfs/dbraw/zinc/50/95/99/1132509599.db2.gz DNROSZCCSQKMKA-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1cc(C)cc(OC)c1)Cc1ccccc1[O-] ZINC001143159478 1132509604 /nfs/dbraw/zinc/50/96/04/1132509604.db2.gz DNROSZCCSQKMKA-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CN(Cc1ccncc1)Cc1cc(C(C)(C)C)ccc1O ZINC001233284017 1132594194 /nfs/dbraw/zinc/59/41/94/1132594194.db2.gz DUFWPDKFQQGJLW-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN C[C@@H](N(C)Cc1cc(F)c(N(C)C)cc1F)C1(C)CC1 ZINC001204389565 1132974481 /nfs/dbraw/zinc/97/44/81/1132974481.db2.gz NGPAEVLMQIQIGF-LLVKDONJSA-N 0 3 282.378 3.651 20 10 CHCDHN COc1cccc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC001203561372 1133339941 /nfs/dbraw/zinc/33/99/41/1133339941.db2.gz SYASYSHNJNCPQC-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1cccc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC001203561372 1133339947 /nfs/dbraw/zinc/33/99/47/1133339947.db2.gz SYASYSHNJNCPQC-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c1[O-] ZINC001203617856 1133345480 /nfs/dbraw/zinc/34/54/80/1133345480.db2.gz VSBBRZDQVDHNNU-CTYIDZIISA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c1[O-] ZINC001203617856 1133345486 /nfs/dbraw/zinc/34/54/86/1133345486.db2.gz VSBBRZDQVDHNNU-CTYIDZIISA-N 0 3 277.408 3.801 20 10 CHCDHN CC[N@H+](Cc1ccc(OC)c(F)c1)Cc1ccccc1[O-] ZINC001203791920 1133370093 /nfs/dbraw/zinc/37/00/93/1133370093.db2.gz IPKIDSRNSLMBPV-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[N@@H+](Cc1ccc(OC)c(F)c1)Cc1ccccc1[O-] ZINC001203791920 1133370095 /nfs/dbraw/zinc/37/00/95/1133370095.db2.gz IPKIDSRNSLMBPV-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN C[N@H+](Cc1ccc2ccccc2c1)Cc1ccc(O)cc1[O-] ZINC001204277702 1133427390 /nfs/dbraw/zinc/42/73/90/1133427390.db2.gz IPVIMECFKVYDNH-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@@H+](Cc1ccc2ccccc2c1)Cc1ccc(O)cc1[O-] ZINC001204277702 1133427394 /nfs/dbraw/zinc/42/73/94/1133427394.db2.gz IPVIMECFKVYDNH-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c2ccccc21 ZINC001204319281 1133436952 /nfs/dbraw/zinc/43/69/52/1133436952.db2.gz MVVYFCNYPIAEMO-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c2ccccc21 ZINC001204319281 1133436955 /nfs/dbraw/zinc/43/69/55/1133436955.db2.gz MVVYFCNYPIAEMO-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN CC(C)[C@@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001204657192 1133472195 /nfs/dbraw/zinc/47/21/95/1133472195.db2.gz BKNCCABSYFLBDD-HNNXBMFYSA-N 0 3 282.378 3.651 20 10 CHCDHN CCC[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)OC ZINC001204923354 1133499928 /nfs/dbraw/zinc/49/99/28/1133499928.db2.gz KUJHFNJBBCJQAQ-QGZVFWFLSA-N 0 3 291.435 3.952 20 10 CHCDHN CCC[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)OC ZINC001204923354 1133499930 /nfs/dbraw/zinc/49/99/30/1133499930.db2.gz KUJHFNJBBCJQAQ-QGZVFWFLSA-N 0 3 291.435 3.952 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1[O-] ZINC001205298884 1133556916 /nfs/dbraw/zinc/55/69/16/1133556916.db2.gz JREWYIKVTWWOSZ-LLVKDONJSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c1[O-] ZINC001205298884 1133556923 /nfs/dbraw/zinc/55/69/23/1133556923.db2.gz JREWYIKVTWWOSZ-LLVKDONJSA-N 0 3 297.826 3.922 20 10 CHCDHN Cc1ccc([C@H](C)CC[N@H+](C)Cc2ccccc2[O-])o1 ZINC001208169755 1133894348 /nfs/dbraw/zinc/89/43/48/1133894348.db2.gz VDSUCJRIKIEFQH-CYBMUJFWSA-N 0 3 273.376 3.919 20 10 CHCDHN Cc1ccc([C@H](C)CC[N@@H+](C)Cc2ccccc2[O-])o1 ZINC001208169755 1133894353 /nfs/dbraw/zinc/89/43/53/1133894353.db2.gz VDSUCJRIKIEFQH-CYBMUJFWSA-N 0 3 273.376 3.919 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000316830244 1135169276 /nfs/dbraw/zinc/16/92/76/1135169276.db2.gz RVFHFZKHYXGQQW-YCPHGPKFSA-N 0 3 298.430 3.679 20 10 CHCDHN C[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccccc1[O-] ZINC000316948189 1135170312 /nfs/dbraw/zinc/17/03/12/1135170312.db2.gz BXOJCHBVBTXQGC-CQSZACIVSA-N 0 3 292.382 3.834 20 10 CHCDHN CCOc1cccc(C[NH2+]C2CCCCCC2)c1[O-] ZINC000020122619 171003774 /nfs/dbraw/zinc/00/37/74/171003774.db2.gz PMMXWEAGZNXNQS-UHFFFAOYSA-N 0 3 263.381 3.603 20 10 CHCDHN CC[C@H](N[C@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000152369879 261063526 /nfs/dbraw/zinc/06/35/26/261063526.db2.gz CVCJYTOBDVULRH-PBHICJAKSA-N 0 3 283.419 3.950 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)c1ccccc1[O-])c1ccncc1 ZINC000156002294 261111356 /nfs/dbraw/zinc/11/13/56/261111356.db2.gz PPAGKJMBFCLIPT-HOTGVXAUSA-N 0 3 270.376 3.979 20 10 CHCDHN CC[C@H]([NH2+]CC(CC)(CC)CCO)c1ccccc1[O-] ZINC000156159726 261115261 /nfs/dbraw/zinc/11/52/61/261115261.db2.gz KULRGVQVBUSKTR-HNNXBMFYSA-N 0 3 279.424 3.622 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000158169108 261159750 /nfs/dbraw/zinc/15/97/50/261159750.db2.gz OYSGCKZZGIGBKB-OGWOLHLISA-N 0 3 297.398 3.963 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000158169394 261159884 /nfs/dbraw/zinc/15/98/84/261159884.db2.gz OYSGCKZZGIGBKB-ALKREAHSSA-N 0 3 297.398 3.963 20 10 CHCDHN CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163667099 261324488 /nfs/dbraw/zinc/32/44/88/261324488.db2.gz WUKVVCXBRNNFMT-RDTXWAMCSA-N 0 3 283.419 3.950 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCCCO2)c([O-])c1 ZINC000183985581 262003650 /nfs/dbraw/zinc/00/36/50/262003650.db2.gz VUXKIFWSSLLDGS-CABCVRRESA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1nc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])sc1C ZINC000185797898 262071685 /nfs/dbraw/zinc/07/16/85/262071685.db2.gz OHTKPXOAGAGNPR-LBPRGKRZSA-N 0 3 290.432 3.667 20 10 CHCDHN COC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000186035493 262075958 /nfs/dbraw/zinc/07/59/58/262075958.db2.gz NHEBICJCAPTJRV-BLLLJJGKSA-N 0 3 289.350 3.570 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186433560 262093141 /nfs/dbraw/zinc/09/31/41/262093141.db2.gz SARXEURNEXYNNY-CQSZACIVSA-N 0 3 295.304 3.828 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])n1 ZINC000186561759 262098700 /nfs/dbraw/zinc/09/87/00/262098700.db2.gz WVOIPWXVSNRTFL-YPMHNXCESA-N 0 3 290.432 3.920 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000281876326 263072756 /nfs/dbraw/zinc/07/27/56/263072756.db2.gz CYSIOIALEXFKLP-GFCCVEGCSA-N 0 3 269.335 3.616 20 10 CHCDHN CCN(Cc1cc(C)ccc1O)[C@@H](C)c1cccnc1 ZINC000290447203 263116906 /nfs/dbraw/zinc/11/69/06/263116906.db2.gz MCLYBFKEUYZPAS-AWEZNQCLSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[N@H+](Cc1cc(C)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000290447203 263116907 /nfs/dbraw/zinc/11/69/07/263116907.db2.gz MCLYBFKEUYZPAS-AWEZNQCLSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000290447203 263116908 /nfs/dbraw/zinc/11/69/08/263116908.db2.gz MCLYBFKEUYZPAS-AWEZNQCLSA-N 0 3 270.376 3.679 20 10 CHCDHN Cc1ccc([C@H]([NH2+]Cc2ccccc2[O-])C2CC2)cc1 ZINC000134226224 264503313 /nfs/dbraw/zinc/50/33/13/264503313.db2.gz WMXKEAHWNCKQOM-SFHVURJKSA-N 0 3 267.372 3.942 20 10 CHCDHN COc1cccc(C2([NH2+][C@@H](C)c3ccccc3[O-])CC2)c1 ZINC000272908841 328201270 /nfs/dbraw/zinc/20/12/70/328201270.db2.gz WHMFBXFEGWHGRS-ZDUSSCGKSA-N 0 3 283.371 3.741 20 10 CHCDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000037771111 326861056 /nfs/dbraw/zinc/86/10/56/326861056.db2.gz OAOKAGQRUFATSS-OLZOCXBDSA-N 0 3 271.360 3.813 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000527749724 330280928 /nfs/dbraw/zinc/28/09/28/330280928.db2.gz PMSOONDLKNIQCM-CGTJXYLNSA-N 0 3 299.801 3.782 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000134230240 334084931 /nfs/dbraw/zinc/08/49/31/334084931.db2.gz XOSDZVHOOBGKNV-OAHLLOKOSA-N 0 3 273.763 3.823 20 10 CHCDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccccn1 ZINC000299195118 519655077 /nfs/dbraw/zinc/65/50/77/519655077.db2.gz MQZZEFIXZMZPJD-UHFFFAOYSA-N 0 3 283.419 3.558 20 10 CHCDHN CCCCN1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000037150533 520576409 /nfs/dbraw/zinc/57/64/09/520576409.db2.gz HVTMTOSDLPAVAR-OAHLLOKOSA-N 0 3 290.451 3.616 20 10 CHCDHN CCN(CC)c1ccc(CNCc2ccc(O)cc2)cc1 ZINC000069749855 520907407 /nfs/dbraw/zinc/90/74/07/520907407.db2.gz GZOJKFUGCMZEEA-UHFFFAOYSA-N 0 3 284.403 3.528 20 10 CHCDHN CCOc1cccc(CN(C)[C@H](C)c2ccco2)c1O ZINC000131075368 521333053 /nfs/dbraw/zinc/33/30/53/521333053.db2.gz IHBODAFKZSEZOV-GFCCVEGCSA-N 0 3 275.348 3.577 20 10 CHCDHN CCN(Cc1cccc(C)c1O)[C@@H](C)c1cccnc1 ZINC000290519859 521338944 /nfs/dbraw/zinc/33/89/44/521338944.db2.gz PZWCNROIBMBHCC-AWEZNQCLSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[N@H+](Cc1cccc(C)c1[O-])[C@@H](C)c1cccnc1 ZINC000290519859 521338955 /nfs/dbraw/zinc/33/89/55/521338955.db2.gz PZWCNROIBMBHCC-AWEZNQCLSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[N@@H+](Cc1cccc(C)c1[O-])[C@@H](C)c1cccnc1 ZINC000290519859 521338962 /nfs/dbraw/zinc/33/89/62/521338962.db2.gz PZWCNROIBMBHCC-AWEZNQCLSA-N 0 3 270.376 3.679 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617618 521373698 /nfs/dbraw/zinc/37/36/98/521373698.db2.gz YAZKKVJERGBGNC-GFCCVEGCSA-N 0 3 289.350 3.781 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(F)nc1C ZINC000278498059 521690090 /nfs/dbraw/zinc/69/00/90/521690090.db2.gz VBOATOQQVDYISQ-UHFFFAOYSA-N 0 3 288.366 3.647 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccc(F)nc1C ZINC000278498059 521690094 /nfs/dbraw/zinc/69/00/94/521690094.db2.gz VBOATOQQVDYISQ-UHFFFAOYSA-N 0 3 288.366 3.647 20 10 CHCDHN CC[C@H]([NH2+]CC1CCSCC1)c1ccc(C)cc1[O-] ZINC000280065774 522577979 /nfs/dbraw/zinc/57/79/79/522577979.db2.gz KRAYTONFILKSDE-HNNXBMFYSA-N 0 3 279.449 3.885 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000049577262 522644262 /nfs/dbraw/zinc/64/42/62/522644262.db2.gz DRISSRUFIMCVFL-HNNXBMFYSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@H](NCc1cn2ccccc2n1)c1ccc(C)cc1O ZINC000279971899 522661681 /nfs/dbraw/zinc/66/16/81/522661681.db2.gz CZBVYXVVGXAZRY-INIZCTEOSA-N 0 3 295.386 3.589 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000290161506 522694307 /nfs/dbraw/zinc/69/43/07/522694307.db2.gz DETHPXILTXEBIK-FNHZYXHNSA-N 0 3 299.414 3.863 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(C)cc1[O-] ZINC000280272574 522752468 /nfs/dbraw/zinc/75/24/68/522752468.db2.gz YABYPQNEXFHBIX-HOTGVXAUSA-N 0 3 299.418 3.552 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)CCOC)c1ccc(C)cc1[O-] ZINC000280136303 522818545 /nfs/dbraw/zinc/81/85/45/522818545.db2.gz PINDCUJXLDINAQ-OAHLLOKOSA-N 0 3 279.424 3.804 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280270776 522839300 /nfs/dbraw/zinc/83/93/00/522839300.db2.gz XUXJESBEFNCECX-GDBMZVCRSA-N 0 3 277.408 3.701 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(C)cc1[O-] ZINC000279945359 522884126 /nfs/dbraw/zinc/88/41/26/522884126.db2.gz BLNDAVHEXFSPCN-OAHLLOKOSA-N 0 3 299.370 3.670 20 10 CHCDHN CC[C@@H](NCc1nc(C)cs1)c1ccc(C)cc1O ZINC000280003401 522893771 /nfs/dbraw/zinc/89/37/71/522893771.db2.gz GDRWEBOWQPCEPR-CYBMUJFWSA-N 0 3 276.405 3.706 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CCOC)c1ccco1)c1ccccc1[O-] ZINC000274741732 522943811 /nfs/dbraw/zinc/94/38/11/522943811.db2.gz FLXBZCYUGZSUGU-HUUCEWRRSA-N 0 3 289.375 3.804 20 10 CHCDHN COc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1C ZINC000274797015 524072701 /nfs/dbraw/zinc/07/27/01/524072701.db2.gz NSXKLSGXMYENEO-UHFFFAOYSA-N 0 3 299.414 3.521 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2N(C)C)c([O-])c1 ZINC000285402778 524330787 /nfs/dbraw/zinc/33/07/87/524330787.db2.gz XHSGOAXOJYQJSL-OAHLLOKOSA-N 0 3 298.430 3.926 20 10 CHCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000292705912 524752703 /nfs/dbraw/zinc/75/27/03/524752703.db2.gz CUZQIPKFRPVMEH-GFCCVEGCSA-N 0 3 299.361 3.706 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(Cl)c2)c1 ZINC000053148766 524762019 /nfs/dbraw/zinc/76/20/19/524762019.db2.gz PLQQXCTTZHGRSK-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2cccc(Cl)c2)c1 ZINC000053148766 524762030 /nfs/dbraw/zinc/76/20/30/524762030.db2.gz PLQQXCTTZHGRSK-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccsc2)c1 ZINC000061360736 524774289 /nfs/dbraw/zinc/77/42/89/524774289.db2.gz IVIFEZNDICHTPX-MNOVXSKESA-N 0 3 277.389 3.874 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccsc2)c1 ZINC000061360736 524774300 /nfs/dbraw/zinc/77/43/00/524774300.db2.gz IVIFEZNDICHTPX-MNOVXSKESA-N 0 3 277.389 3.874 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1C ZINC000289868712 525316900 /nfs/dbraw/zinc/31/69/00/525316900.db2.gz RBWUMLQNNICMLV-QGZVFWFLSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1C ZINC000289868712 525316906 /nfs/dbraw/zinc/31/69/06/525316906.db2.gz RBWUMLQNNICMLV-QGZVFWFLSA-N 0 3 282.387 3.741 20 10 CHCDHN CSC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CCC1 ZINC000193812781 525335375 /nfs/dbraw/zinc/33/53/75/525335375.db2.gz LMSSGHTYHWHRPD-LBPRGKRZSA-N 0 3 265.422 3.637 20 10 CHCDHN C[C@H](NCCF)c1ccc(N2CCCCCC2)cc1 ZINC000280918204 525347923 /nfs/dbraw/zinc/34/79/23/525347923.db2.gz DPQOTOKJMMIXCR-AWEZNQCLSA-N 0 3 264.388 3.687 20 10 CHCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCOC1 ZINC000266149688 525428905 /nfs/dbraw/zinc/42/89/05/525428905.db2.gz JZRHMFVKZXNGGZ-WMLDXEAASA-N 0 3 297.398 3.574 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000122141089 525445091 /nfs/dbraw/zinc/44/50/91/525445091.db2.gz HQMARMHKMLTEDJ-ZDUSSCGKSA-N 0 3 299.374 3.512 20 10 CHCDHN COc1cccc(CNC(C)(C)c2ccccc2F)c1O ZINC000291761240 526010235 /nfs/dbraw/zinc/01/02/35/526010235.db2.gz RMRFYSOYFRIZAG-UHFFFAOYSA-N 0 3 289.350 3.565 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCSC1 ZINC000266174658 526337417 /nfs/dbraw/zinc/33/74/17/526337417.db2.gz SNHCKUOMVDTELB-MRXNPFEDSA-N 0 3 285.412 3.654 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280604258 526373733 /nfs/dbraw/zinc/37/37/33/526373733.db2.gz JNVHHLAFOCDLRC-KOMQPUFPSA-N 0 3 271.335 3.567 20 10 CHCDHN CCSCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168809380 1120097291 /nfs/dbraw/zinc/09/72/91/1120097291.db2.gz HHIWVUYQBJPZNQ-CHWSQXEVSA-N 0 3 267.438 3.883 20 10 CHCDHN CSCCCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000184104212 1125291470 /nfs/dbraw/zinc/29/14/70/1125291470.db2.gz WQVHSSCIYMNNSN-ZDUSSCGKSA-N 0 3 267.438 3.966 20 10 CHCDHN CC(C)(NCc1ccccc1O)c1ccc(F)cc1F ZINC000886350552 1125673091 /nfs/dbraw/zinc/67/30/91/1125673091.db2.gz YIVUUCGGLYJYKB-UHFFFAOYSA-N 0 3 277.314 3.695 20 10 CHCDHN COc1cccc(CN([C@H](C)c2ccco2)C2CC2)c1O ZINC000092483930 1125758767 /nfs/dbraw/zinc/75/87/67/1125758767.db2.gz PAHAUMCHAQDNEF-GFCCVEGCSA-N 0 3 287.359 3.719 20 10 CHCDHN CCC[N@H+](Cc1cccs1)Cc1ccccc1[O-] ZINC000092705068 1129405026 /nfs/dbraw/zinc/40/50/26/1129405026.db2.gz RVCFUWWWZVRIAN-UHFFFAOYSA-N 0 3 261.390 3.866 20 10 CHCDHN CCC[N@@H+](Cc1cccs1)Cc1ccccc1[O-] ZINC000092705068 1129405028 /nfs/dbraw/zinc/40/50/28/1129405028.db2.gz RVCFUWWWZVRIAN-UHFFFAOYSA-N 0 3 261.390 3.866 20 10 CHCDHN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000384283159 1129905757 /nfs/dbraw/zinc/90/57/57/1129905757.db2.gz OTRASADWMMJYME-GWCFXTLKSA-N 0 3 283.799 3.675 20 10 CHCDHN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000384283159 1129905758 /nfs/dbraw/zinc/90/57/58/1129905758.db2.gz OTRASADWMMJYME-GWCFXTLKSA-N 0 3 283.799 3.675 20 10 CHCDHN Cc1cccc(CN[C@@H](C)c2ccc(F)cc2F)c1O ZINC000158087465 1126745463 /nfs/dbraw/zinc/74/54/63/1126745463.db2.gz GQYPMHHYDBVSOR-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN CS[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183518686 1126887509 /nfs/dbraw/zinc/88/75/09/1126887509.db2.gz QKKXJWCLJCVODL-AGIUHOORSA-N 0 3 265.422 3.717 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccccc1[O-] ZINC000183471333 1126887894 /nfs/dbraw/zinc/88/78/94/1126887894.db2.gz BSDMQBOYDYNKFM-CQSZACIVSA-N 0 3 296.414 3.625 20 10 CHCDHN C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1[O-] ZINC000183527367 1126888497 /nfs/dbraw/zinc/88/84/97/1126888497.db2.gz IAMRWERTWKTRCU-PBHICJAKSA-N 0 3 285.387 3.557 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]Cc1cc2ccccc2s1 ZINC000777452062 1126933083 /nfs/dbraw/zinc/93/30/83/1126933083.db2.gz CWWLGIHPFBXMHR-UHFFFAOYSA-N 0 3 299.395 3.905 20 10 CHCDHN COC[C@@H](NCc1ccccc1O)c1ccc(Cl)cc1 ZINC000193279475 1126967492 /nfs/dbraw/zinc/96/74/92/1126967492.db2.gz FSKOKEDXQIWCBP-OAHLLOKOSA-N 0 3 291.778 3.523 20 10 CHCDHN COC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000193279475 1126967494 /nfs/dbraw/zinc/96/74/94/1126967494.db2.gz FSKOKEDXQIWCBP-OAHLLOKOSA-N 0 3 291.778 3.523 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000271198802 1127072124 /nfs/dbraw/zinc/07/21/24/1127072124.db2.gz AZLQSNPHHLLBCD-KSSFIOAISA-N 0 3 297.398 3.716 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1[O-] ZINC000271669739 1127097108 /nfs/dbraw/zinc/09/71/08/1127097108.db2.gz MYOAYXJYXLVLKM-MEDUHNTESA-N 0 3 271.335 3.869 20 10 CHCDHN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237116206 1131053013 /nfs/dbraw/zinc/05/30/13/1131053013.db2.gz YPEYPMFKKIEBJT-SNVBAGLBSA-N 0 3 289.297 3.665 20 10 CHCDHN CC[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237116206 1131053018 /nfs/dbraw/zinc/05/30/18/1131053018.db2.gz YPEYPMFKKIEBJT-SNVBAGLBSA-N 0 3 289.297 3.665 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000163860969 1127145515 /nfs/dbraw/zinc/14/55/15/1127145515.db2.gz DHPONHLPQVYZJZ-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000163860969 1127145517 /nfs/dbraw/zinc/14/55/17/1127145517.db2.gz DHPONHLPQVYZJZ-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1F ZINC000226582999 1127412665 /nfs/dbraw/zinc/41/26/65/1127412665.db2.gz MRSPOVDWLPPERG-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN CC(C)[C@H](C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000227436418 1127478069 /nfs/dbraw/zinc/47/80/69/1127478069.db2.gz AMKFEQDIUYSPOT-KRWDZBQOSA-N 0 3 269.388 3.922 20 10 CHCDHN C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1ccccc1[O-] ZINC000360697804 1127506622 /nfs/dbraw/zinc/50/66/22/1127506622.db2.gz IYZLLBXHXMBBEW-URLQWDBASA-N 0 3 297.398 3.821 20 10 CHCDHN Cc1cccc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000294050993 1127545550 /nfs/dbraw/zinc/54/55/50/1127545550.db2.gz WZMBGAKWXKMAHF-KRWDZBQOSA-N 0 3 282.387 3.679 20 10 CHCDHN C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[O-] ZINC000295094366 1127619569 /nfs/dbraw/zinc/61/95/69/1127619569.db2.gz UFQDSKBQSVPTJX-CMPLNLGQSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[O-] ZINC000295094366 1127619571 /nfs/dbraw/zinc/61/95/71/1127619571.db2.gz UFQDSKBQSVPTJX-CMPLNLGQSA-N 0 3 273.298 3.555 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]Cc2cscc2C)c1[O-] ZINC000229053212 1127643630 /nfs/dbraw/zinc/64/36/30/1127643630.db2.gz VFBQQEZUZNNEGQ-UHFFFAOYSA-N 0 3 297.807 3.714 20 10 CHCDHN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000229121215 1127650549 /nfs/dbraw/zinc/65/05/49/1127650549.db2.gz WEZAQJGVAMVYNT-GWCFXTLKSA-N 0 3 283.799 3.817 20 10 CHCDHN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000229121215 1127650552 /nfs/dbraw/zinc/65/05/52/1127650552.db2.gz WEZAQJGVAMVYNT-GWCFXTLKSA-N 0 3 283.799 3.817 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296039877 1127661266 /nfs/dbraw/zinc/66/12/66/1127661266.db2.gz QOQUPIQMOIZPRW-MRXNPFEDSA-N 0 3 283.371 3.568 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccccc1[O-] ZINC000296262052 1127667006 /nfs/dbraw/zinc/66/70/06/1127667006.db2.gz DHWCZCIGFIDKBN-DVOMOZLQSA-N 0 3 283.371 3.955 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000296275605 1127667009 /nfs/dbraw/zinc/66/70/09/1127667009.db2.gz CKIFILYDWWRDMR-GXFFZTMASA-N 0 3 288.416 3.538 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cccc3[nH]ccc31)CC2 ZINC000296296912 1127668166 /nfs/dbraw/zinc/66/81/66/1127668166.db2.gz DKHLOOMTZRYMAM-QGZVFWFLSA-N 0 3 292.382 3.693 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)c([O-])c1 ZINC000231791506 1127854338 /nfs/dbraw/zinc/85/43/38/1127854338.db2.gz PYVKAOSZCBJJSG-NXEZZACHSA-N 0 3 261.287 3.692 20 10 CHCDHN CS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000312062995 1127976654 /nfs/dbraw/zinc/97/66/54/1127976654.db2.gz DHHUFARMNSSSSU-VNHYZAJKSA-N 0 3 277.433 3.643 20 10 CHCDHN CCC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000152486424 1128128359 /nfs/dbraw/zinc/12/83/59/1128128359.db2.gz YBWVWEUMHDGABE-HNNXBMFYSA-N 0 3 285.387 3.546 20 10 CHCDHN CCC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000152486424 1128128360 /nfs/dbraw/zinc/12/83/60/1128128360.db2.gz YBWVWEUMHDGABE-HNNXBMFYSA-N 0 3 285.387 3.546 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c([O-])c1 ZINC000926948932 1128205175 /nfs/dbraw/zinc/20/51/75/1128205175.db2.gz LKVDUERFKPMKAU-GRYCIOLGSA-N 0 3 287.325 3.858 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1ccccc1[O-] ZINC000927071019 1128215821 /nfs/dbraw/zinc/21/58/21/1128215821.db2.gz RUWOGLPKVKMNEG-NVXWUHKLSA-N 0 3 287.407 3.564 20 10 CHCDHN CC[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1ccccc1[O-] ZINC000927071018 1128215940 /nfs/dbraw/zinc/21/59/40/1128215940.db2.gz RUWOGLPKVKMNEG-DOTOQJQBSA-N 0 3 287.407 3.564 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000927068990 1128215948 /nfs/dbraw/zinc/21/59/48/1128215948.db2.gz LJWLHQOHSZWNGD-DHSIGJKJSA-N 0 3 289.419 3.556 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000927129963 1128220750 /nfs/dbraw/zinc/22/07/50/1128220750.db2.gz QQJVZCFTRSJDMV-GDBMZVCRSA-N 0 3 289.419 3.925 20 10 CHCDHN CN(Cc1cccn1C)Cc1ccc(N2CCCCC2)cc1 ZINC000153301609 1128228805 /nfs/dbraw/zinc/22/88/05/1128228805.db2.gz JQHOGWVVMKRJBV-UHFFFAOYSA-N 0 3 297.446 3.647 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)c2c1c(F)ccc2[O-] ZINC000762776133 1128317755 /nfs/dbraw/zinc/31/77/55/1128317755.db2.gz CWGSATOMNRNBJG-ZBEGNZNMSA-N 0 3 297.373 3.837 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1F ZINC000777970827 1128351034 /nfs/dbraw/zinc/35/10/34/1128351034.db2.gz WGQRSYNCWHOPDA-MLGOLLRUSA-N 0 3 273.351 3.725 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1F ZINC000777970827 1128351039 /nfs/dbraw/zinc/35/10/39/1128351039.db2.gz WGQRSYNCWHOPDA-MLGOLLRUSA-N 0 3 273.351 3.725 20 10 CHCDHN CC[C@H]([NH2+]CCCNc1ccccc1)c1ccccc1[O-] ZINC000155889288 1128617491 /nfs/dbraw/zinc/61/74/91/1128617491.db2.gz CRKVSNZUPZLVLB-KRWDZBQOSA-N 0 3 284.403 3.935 20 10 CHCDHN CCO[C@H](CC[NH2+][C@@H](CC)c1ccccc1[O-])C(C)C ZINC000156164725 1128628812 /nfs/dbraw/zinc/62/88/12/1128628812.db2.gz MOOSWOKYJLMMEE-DOTOQJQBSA-N 0 3 279.424 3.884 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000778995540 1128674580 /nfs/dbraw/zinc/67/45/80/1128674580.db2.gz BIVYPFZXWZREFX-HNNXBMFYSA-N 0 3 285.362 3.596 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000778995540 1128674583 /nfs/dbraw/zinc/67/45/83/1128674583.db2.gz BIVYPFZXWZREFX-HNNXBMFYSA-N 0 3 285.362 3.596 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000778994864 1128675526 /nfs/dbraw/zinc/67/55/26/1128675526.db2.gz PNGAFSVPMFUUTR-UHFFFAOYSA-N 0 3 285.362 3.911 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000779015862 1128682003 /nfs/dbraw/zinc/68/20/03/1128682003.db2.gz XJAYMJYMWDASGE-ZDUSSCGKSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000779015862 1128682005 /nfs/dbraw/zinc/68/20/05/1128682005.db2.gz XJAYMJYMWDASGE-ZDUSSCGKSA-N 0 3 289.325 3.660 20 10 CHCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779022677 1128685119 /nfs/dbraw/zinc/68/51/19/1128685119.db2.gz FTTMQSNWRPCOEN-CXAGYDPISA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779022677 1128685122 /nfs/dbraw/zinc/68/51/22/1128685122.db2.gz FTTMQSNWRPCOEN-CXAGYDPISA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779022445 1128685346 /nfs/dbraw/zinc/68/53/46/1128685346.db2.gz BTCNNIBOSJUDMT-SFHVURJKSA-N 0 3 285.362 3.695 20 10 CHCDHN C[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779022445 1128685349 /nfs/dbraw/zinc/68/53/49/1128685349.db2.gz BTCNNIBOSJUDMT-SFHVURJKSA-N 0 3 285.362 3.695 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(OC(F)F)cc1 ZINC000134225988 1128705871 /nfs/dbraw/zinc/70/58/71/1128705871.db2.gz VPKIWPRROOPKQO-LLVKDONJSA-N 0 3 293.313 3.844 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000779080900 1128723739 /nfs/dbraw/zinc/72/37/39/1128723739.db2.gz FINZPCFCNDPXLJ-YWPYICTPSA-N 0 3 263.356 3.590 20 10 CHCDHN COc1cccc(C[N@H+](C(C)C)C2CCCCC2)c1[O-] ZINC000159770447 1128726699 /nfs/dbraw/zinc/72/66/99/1128726699.db2.gz AFYYMBICYBRFKX-UHFFFAOYSA-N 0 3 277.408 3.944 20 10 CHCDHN COc1cccc(C[N@@H+](C(C)C)C2CCCCC2)c1[O-] ZINC000159770447 1128726702 /nfs/dbraw/zinc/72/67/02/1128726702.db2.gz AFYYMBICYBRFKX-UHFFFAOYSA-N 0 3 277.408 3.944 20 10 CHCDHN COCCC1(C[NH2+]Cc2cc(C)ccc2[O-])CCCCC1 ZINC000185225980 1117792563 /nfs/dbraw/zinc/79/25/63/1117792563.db2.gz UOMPBSNVSYUGFY-UHFFFAOYSA-N 0 3 291.435 3.777 20 10 CHCDHN C[C@H]([NH2+]CCCOC1CCCC1)c1cc(F)ccc1[O-] ZINC000185240765 1117797056 /nfs/dbraw/zinc/79/70/56/1117797056.db2.gz GVHARTCCQBDECV-LBPRGKRZSA-N 0 3 281.371 3.531 20 10 CHCDHN COc1ccccc1C1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000185293464 1117807423 /nfs/dbraw/zinc/80/74/23/1117807423.db2.gz CYGWDJIRAZGIFK-UHFFFAOYSA-N 0 3 297.398 3.612 20 10 CHCDHN CSc1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000036994321 1117954866 /nfs/dbraw/zinc/95/48/66/1117954866.db2.gz HJQMPFUOFSCMAA-LBPRGKRZSA-N 0 3 273.401 3.965 20 10 CHCDHN CCC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000179523250 1128746273 /nfs/dbraw/zinc/74/62/73/1128746273.db2.gz ZFDNJLNTHZYCPV-CQSZACIVSA-N 0 3 263.381 3.555 20 10 CHCDHN CCC[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000179523250 1128746275 /nfs/dbraw/zinc/74/62/75/1128746275.db2.gz ZFDNJLNTHZYCPV-CQSZACIVSA-N 0 3 263.381 3.555 20 10 CHCDHN CC[C@H](NCc1ccoc1C)c1ccc(N(C)C)cc1 ZINC000765395289 1118148323 /nfs/dbraw/zinc/14/83/23/1118148323.db2.gz GMKLODPUQOYGRK-KRWDZBQOSA-N 0 3 272.392 3.895 20 10 CHCDHN C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179893773 1128764292 /nfs/dbraw/zinc/76/42/92/1128764292.db2.gz KZGWAULFKDECOT-LLVKDONJSA-N 0 3 277.314 3.863 20 10 CHCDHN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179893773 1128764295 /nfs/dbraw/zinc/76/42/95/1128764295.db2.gz KZGWAULFKDECOT-LLVKDONJSA-N 0 3 277.314 3.863 20 10 CHCDHN Cc1cccc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000180021694 1128772418 /nfs/dbraw/zinc/77/24/18/1128772418.db2.gz LVPSTXSRHAIHQG-MAUKXSAKSA-N 0 3 297.398 3.663 20 10 CHCDHN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180250090 1128782961 /nfs/dbraw/zinc/78/29/61/1128782961.db2.gz XKEFECGUDUDGFX-UONOGXRCSA-N 0 3 283.412 3.637 20 10 CHCDHN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180250090 1128782965 /nfs/dbraw/zinc/78/29/65/1128782965.db2.gz XKEFECGUDUDGFX-UONOGXRCSA-N 0 3 283.412 3.637 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455406 1118521162 /nfs/dbraw/zinc/52/11/62/1118521162.db2.gz XQQYKTNAPKXXMI-LBPRGKRZSA-N 0 3 259.393 3.787 20 10 CHCDHN CSCCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296490575 1118587149 /nfs/dbraw/zinc/58/71/49/1118587149.db2.gz POELFVOAYMAXII-CYBMUJFWSA-N 0 3 265.422 3.502 20 10 CHCDHN Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000040499382 1118613839 /nfs/dbraw/zinc/61/38/39/1118613839.db2.gz OLIAQGPRKMBCML-HUUCEWRRSA-N 0 3 285.387 3.819 20 10 CHCDHN CCC[N@H+](CCc1csc(C)n1)Cc1ccccc1[O-] ZINC000124752937 1119320701 /nfs/dbraw/zinc/32/07/01/1119320701.db2.gz GRUZKTZHAMOEIR-UHFFFAOYSA-N 0 3 290.432 3.612 20 10 CHCDHN CCC[N@@H+](CCc1csc(C)n1)Cc1ccccc1[O-] ZINC000124752937 1119320703 /nfs/dbraw/zinc/32/07/03/1119320703.db2.gz GRUZKTZHAMOEIR-UHFFFAOYSA-N 0 3 290.432 3.612 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1[O-] ZINC000051016582 1119360664 /nfs/dbraw/zinc/36/06/64/1119360664.db2.gz ZEMUNUIEIIEOCT-HNNXBMFYSA-N 0 3 277.314 3.911 20 10 CHCDHN CC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000075944387 1128866109 /nfs/dbraw/zinc/86/61/09/1128866109.db2.gz FRABYLDKUJKNHC-MRXNPFEDSA-N 0 3 255.361 3.503 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000179556803 1119752035 /nfs/dbraw/zinc/75/20/35/1119752035.db2.gz MITZQWWQOQBQLL-UHFFFAOYSA-N 0 3 271.335 3.696 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000179556803 1119752038 /nfs/dbraw/zinc/75/20/38/1119752038.db2.gz MITZQWWQOQBQLL-UHFFFAOYSA-N 0 3 271.335 3.696 20 10 CHCDHN Cc1ccccc1OCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000179874735 1119787253 /nfs/dbraw/zinc/78/72/53/1119787253.db2.gz HSPAFHYTBDKVCG-OAHLLOKOSA-N 0 3 285.387 3.820 20 10 CHCDHN CSCC1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000295141746 1119864310 /nfs/dbraw/zinc/86/43/10/1119864310.db2.gz ZVDVHHBCULDEOD-UHFFFAOYSA-N 0 3 283.412 3.543 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(c3ccccc3)CCC2)c([O-])c1 ZINC000725850172 1119919662 /nfs/dbraw/zinc/91/96/62/1119919662.db2.gz OXFNUISMEHPCEI-UHFFFAOYSA-N 0 3 297.398 3.960 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000310933173 1119993730 /nfs/dbraw/zinc/99/37/30/1119993730.db2.gz HYLYWDQSTWIZQB-ZYHUDNBSSA-N 0 3 255.308 3.621 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000695125454 1120110875 /nfs/dbraw/zinc/11/08/75/1120110875.db2.gz ICGFJGDPFLDWGR-RYUDHWBXSA-N 0 3 269.335 3.929 20 10 CHCDHN Cc1ccc(O)c(CN(C)Cc2cc3ccccc3[nH]2)c1 ZINC001116445614 1120121836 /nfs/dbraw/zinc/12/18/36/1120121836.db2.gz PDKGWXITKGBDGL-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CCCCC1 ZINC000695159889 1120128863 /nfs/dbraw/zinc/12/88/63/1120128863.db2.gz HHEXYGLCFPWORI-GUYCJALGSA-N 0 3 277.408 3.638 20 10 CHCDHN FC(F)c1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC001116702205 1120199079 /nfs/dbraw/zinc/19/90/79/1120199079.db2.gz AXXDURFLNTXWGB-UHFFFAOYSA-N 0 3 289.325 3.849 20 10 CHCDHN Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180244989 1120269269 /nfs/dbraw/zinc/26/92/69/1120269269.db2.gz ZHWXOMFJNGMJJX-INIZCTEOSA-N 0 3 288.366 3.597 20 10 CHCDHN Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180244989 1120269275 /nfs/dbraw/zinc/26/92/75/1120269275.db2.gz ZHWXOMFJNGMJJX-INIZCTEOSA-N 0 3 288.366 3.597 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)c2c1c(F)ccc2[O-] ZINC000756410184 1120325532 /nfs/dbraw/zinc/32/55/32/1120325532.db2.gz DXKDNTDKWSHADU-SKDRFNHKSA-N 0 3 277.364 3.931 20 10 CHCDHN C[C@H](NCc1cccc2c1OCC2)c1ccc(N(C)C)cc1 ZINC000922015851 1120336494 /nfs/dbraw/zinc/33/64/94/1120336494.db2.gz USSQSMNCVIRLQN-AWEZNQCLSA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccccn2)c([O-])c1 ZINC000692692147 1120488597 /nfs/dbraw/zinc/48/85/97/1120488597.db2.gz QIHTVERSFCESMH-KBPBESRZSA-N 0 3 270.376 3.550 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1F)c1ccccc1[O-] ZINC000019950295 1120549901 /nfs/dbraw/zinc/54/99/01/1120549901.db2.gz TWJLIAFOQSLKIE-HNNXBMFYSA-N 0 3 259.324 3.772 20 10 CHCDHN COc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1C ZINC000922672112 1120575013 /nfs/dbraw/zinc/57/50/13/1120575013.db2.gz MLZVARDWQOMYQM-AWEZNQCLSA-N 0 3 297.398 3.789 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000020088437 1120582001 /nfs/dbraw/zinc/58/20/01/1120582001.db2.gz CGYMWSSTPUKSSG-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN CSC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000193806049 1120582236 /nfs/dbraw/zinc/58/22/36/1120582236.db2.gz NLNYXORYIMWKMC-GFCCVEGCSA-N 0 3 265.422 3.637 20 10 CHCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000313529979 1120748142 /nfs/dbraw/zinc/74/81/42/1120748142.db2.gz MUEQEGMRLKXXDB-BBRMVZONSA-N 0 3 267.372 3.773 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc(F)c(F)c2)c([O-])c1 ZINC000191514519 1128942276 /nfs/dbraw/zinc/94/22/76/1128942276.db2.gz UWXNWLQUHLNCKX-GFCCVEGCSA-N 0 3 291.341 3.872 20 10 CHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000766085847 1121204423 /nfs/dbraw/zinc/20/44/23/1121204423.db2.gz VSIMILQEFHSMCQ-OAHLLOKOSA-N 0 3 298.434 3.559 20 10 CHCDHN Cc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000766085847 1121204425 /nfs/dbraw/zinc/20/44/25/1121204425.db2.gz VSIMILQEFHSMCQ-OAHLLOKOSA-N 0 3 298.434 3.559 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000094616589 1121215785 /nfs/dbraw/zinc/21/57/85/1121215785.db2.gz QIJLTLIEWCNQRG-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN CCC[C@@H](C[NH2+][C@@H](CC)c1ccccc1[O-])OCC ZINC000705317189 1121396289 /nfs/dbraw/zinc/39/62/89/1121396289.db2.gz OZANMPOICANNHA-ZFWWWQNUSA-N 0 3 265.397 3.638 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c1[O-] ZINC000708455664 1121465039 /nfs/dbraw/zinc/46/50/39/1121465039.db2.gz XSLWAOARBFCHHZ-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c1[O-] ZINC000708455664 1121465042 /nfs/dbraw/zinc/46/50/42/1121465042.db2.gz XSLWAOARBFCHHZ-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000727825267 1121750373 /nfs/dbraw/zinc/75/03/73/1121750373.db2.gz XMPMZAAUHCQWDE-CQSZACIVSA-N 0 3 285.387 3.928 20 10 CHCDHN CC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000727825267 1121750380 /nfs/dbraw/zinc/75/03/80/1121750380.db2.gz XMPMZAAUHCQWDE-CQSZACIVSA-N 0 3 285.387 3.928 20 10 CHCDHN C[C@@H](CCc1ccccc1)[N@H+](C)Cc1ccccc1[O-] ZINC000731842773 1121888029 /nfs/dbraw/zinc/88/80/29/1121888029.db2.gz AIDZHBKQDDNZMV-HNNXBMFYSA-N 0 3 269.388 3.845 20 10 CHCDHN C[C@@H](CCc1ccccc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000731842773 1121888035 /nfs/dbraw/zinc/88/80/35/1121888035.db2.gz AIDZHBKQDDNZMV-HNNXBMFYSA-N 0 3 269.388 3.845 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCc1ccccn1)C1CCCC1 ZINC000732204799 1121912305 /nfs/dbraw/zinc/91/23/05/1121912305.db2.gz SEHPBOBRESSZFX-UHFFFAOYSA-N 0 3 296.414 3.775 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCc1ccccn1)C1CCCC1 ZINC000732204799 1121912313 /nfs/dbraw/zinc/91/23/13/1121912313.db2.gz SEHPBOBRESSZFX-UHFFFAOYSA-N 0 3 296.414 3.775 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001180141992 1121950022 /nfs/dbraw/zinc/95/00/22/1121950022.db2.gz KFTXUQVVSIKOMQ-KDOFPFPSSA-N 0 3 267.372 3.894 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001180141992 1121950028 /nfs/dbraw/zinc/95/00/28/1121950028.db2.gz KFTXUQVVSIKOMQ-KDOFPFPSSA-N 0 3 267.372 3.894 20 10 CHCDHN C[N@H+](CCCc1ccc(F)c(F)c1)Cc1ccccc1[O-] ZINC001180238755 1121967802 /nfs/dbraw/zinc/96/78/02/1121967802.db2.gz AACGZTWHIGGIMS-UHFFFAOYSA-N 0 3 291.341 3.735 20 10 CHCDHN C[N@@H+](CCCc1ccc(F)c(F)c1)Cc1ccccc1[O-] ZINC001180238755 1121967806 /nfs/dbraw/zinc/96/78/06/1121967806.db2.gz AACGZTWHIGGIMS-UHFFFAOYSA-N 0 3 291.341 3.735 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccc3ccccc3n2)c1 ZINC000733325634 1121975947 /nfs/dbraw/zinc/97/59/47/1121975947.db2.gz OKSIFQSWTVKXTB-UHFFFAOYSA-N 0 3 278.355 3.539 20 10 CHCDHN CC1(c2ccccc2)CC([NH2+]Cc2ccccc2[O-])C1 ZINC000733326635 1121978059 /nfs/dbraw/zinc/97/80/59/1121978059.db2.gz PYIFVBAEYOCHFD-UHFFFAOYSA-N 0 3 267.372 3.602 20 10 CHCDHN CN(C)c1cc(F)c(CN2CCC[C@@H](C3CC3)C2)cc1F ZINC001182184783 1122117516 /nfs/dbraw/zinc/11/75/16/1122117516.db2.gz UPGFFRFPBHMXCZ-CYBMUJFWSA-N 0 3 294.389 3.653 20 10 CHCDHN COc1cccc([C@@H](C)[N@H+](C)Cc2ccccc2[O-])c1 ZINC000079433193 1129033702 /nfs/dbraw/zinc/03/37/02/1129033702.db2.gz LGVCJECAYKNVIM-CYBMUJFWSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1cccc([C@@H](C)[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000079433193 1129033705 /nfs/dbraw/zinc/03/37/05/1129033705.db2.gz LGVCJECAYKNVIM-CYBMUJFWSA-N 0 3 271.360 3.594 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000192749839 1129033730 /nfs/dbraw/zinc/03/37/30/1129033730.db2.gz AVIIXEVAVDUYQA-CHWSQXEVSA-N 0 3 299.370 3.841 20 10 CHCDHN CC[C@@H]1CN(Cc2cc(C(C)C)ccc2O)C[C@@H](CC)O1 ZINC001182461949 1122165584 /nfs/dbraw/zinc/16/55/84/1122165584.db2.gz MREREULEKOYZOC-IAGOWNOFSA-N 0 3 291.435 3.905 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000273386361 1122229885 /nfs/dbraw/zinc/22/98/85/1122229885.db2.gz CTMJLAVDHLXHEI-ILXRZTDVSA-N 0 3 277.408 3.556 20 10 CHCDHN COCC[C@@H](N[C@H](C)c1cc(C)ccc1O)c1ccco1 ZINC000273413966 1122231139 /nfs/dbraw/zinc/23/11/39/1122231139.db2.gz IIGZGODMWFLOON-UKRRQHHQSA-N 0 3 289.375 3.722 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)c([O-])c1 ZINC000273606058 1122240105 /nfs/dbraw/zinc/24/01/05/1122240105.db2.gz UEQZSGKFPWCZSL-LRDDRELGSA-N 0 3 283.371 3.744 20 10 CHCDHN CCN(Cc1ccc(OC)cc1O)Cc1ccccc1F ZINC001203628544 1122364338 /nfs/dbraw/zinc/36/43/38/1122364338.db2.gz CNFSYVMQAXOMCW-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccccc1[O-] ZINC000183419223 1129053115 /nfs/dbraw/zinc/05/31/15/1129053115.db2.gz DOZBMEWVSPJCRK-LSDHHAIUSA-N 0 3 284.403 3.568 20 10 CHCDHN Cc1cccc(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000775135056 1122437679 /nfs/dbraw/zinc/43/76/79/1122437679.db2.gz CORYDFCCWROWBK-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1ccccc1[O-] ZINC000775503422 1122630728 /nfs/dbraw/zinc/63/07/28/1122630728.db2.gz IGQHUXGUUJAFGR-BBRMVZONSA-N 0 3 287.407 3.972 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccc1[O-] ZINC000775503423 1122630931 /nfs/dbraw/zinc/63/09/31/1122630931.db2.gz IGQHUXGUUJAFGR-CJNGLKHVSA-N 0 3 287.407 3.972 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@](C)(OC)C1(C)C)c1ccccc1[O-] ZINC000775513166 1122633540 /nfs/dbraw/zinc/63/35/40/1122633540.db2.gz OONHHJIOUSRLHJ-LXZKKBNFSA-N 0 3 277.408 3.637 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000266444520 1129086075 /nfs/dbraw/zinc/08/60/75/1129086075.db2.gz MQLUHUIZHOFQGL-UHFFFAOYSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000266444520 1129086080 /nfs/dbraw/zinc/08/60/80/1129086080.db2.gz MQLUHUIZHOFQGL-UHFFFAOYSA-N 0 3 297.398 3.548 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(F)F)CC2)c1[O-] ZINC000775701698 1122913843 /nfs/dbraw/zinc/91/38/43/1122913843.db2.gz VVPKIKYHOHIKQI-UHFFFAOYSA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCCOC(C)C)c1[O-] ZINC000775708216 1122916099 /nfs/dbraw/zinc/91/60/99/1122916099.db2.gz AJTGBUPADDMQPU-UHFFFAOYSA-N 0 3 285.815 3.601 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)CCCOC(C)C)c1[O-] ZINC000775708216 1122916101 /nfs/dbraw/zinc/91/61/01/1122916101.db2.gz AJTGBUPADDMQPU-UHFFFAOYSA-N 0 3 285.815 3.601 20 10 CHCDHN CSC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000775724828 1122926189 /nfs/dbraw/zinc/92/61/89/1122926189.db2.gz RDAOTVLLRSWCQW-ZDUSSCGKSA-N 0 3 285.840 3.681 20 10 CHCDHN CSC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000775724828 1122926191 /nfs/dbraw/zinc/92/61/91/1122926191.db2.gz RDAOTVLLRSWCQW-ZDUSSCGKSA-N 0 3 285.840 3.681 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](OCC(C)C)C2)c1[O-] ZINC000775737449 1122928578 /nfs/dbraw/zinc/92/85/78/1122928578.db2.gz HGFXAOBDWUZTNV-HNNXBMFYSA-N 0 3 297.826 3.601 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1[O-] ZINC000775737449 1122928583 /nfs/dbraw/zinc/92/85/83/1122928583.db2.gz HGFXAOBDWUZTNV-HNNXBMFYSA-N 0 3 297.826 3.601 20 10 CHCDHN C[C@@H](CO)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776002600 1123034668 /nfs/dbraw/zinc/03/46/68/1123034668.db2.gz GGWQZZKIGGHXHD-CVEARBPZSA-N 0 3 299.414 3.584 20 10 CHCDHN C[C@@H](CO)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000776002600 1123034671 /nfs/dbraw/zinc/03/46/71/1123034671.db2.gz GGWQZZKIGGHXHD-CVEARBPZSA-N 0 3 299.414 3.584 20 10 CHCDHN Cc1cccc(CNCc2ccc([C@H]3C[C@H]3C)o2)c1O ZINC000776024907 1123041777 /nfs/dbraw/zinc/04/17/77/1123041777.db2.gz ZVDBXACNYQXJJY-DOMZBBRYSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)C2(C)CC2)c1[O-] ZINC000776068217 1123052694 /nfs/dbraw/zinc/05/26/94/1123052694.db2.gz HEYNVVCDAWEHAI-JTQLQIEISA-N 0 3 298.224 3.741 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+]CCC2CCC2)c1[O-] ZINC000776251770 1123179731 /nfs/dbraw/zinc/17/97/31/1123179731.db2.gz ZOLCPMOMZFIFNL-UHFFFAOYSA-N 0 3 298.224 3.743 20 10 CHCDHN CCCC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169086560 1123264622 /nfs/dbraw/zinc/26/46/22/1123264622.db2.gz BSQOGASOAFWNSQ-UHFFFAOYSA-N 0 3 271.788 3.723 20 10 CHCDHN Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000850411684 1123264699 /nfs/dbraw/zinc/26/46/99/1123264699.db2.gz IGMWPDFRSHBHOV-KRWDZBQOSA-N 0 3 267.372 3.868 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cc2cnccc2o1 ZINC000850422672 1123265383 /nfs/dbraw/zinc/26/53/83/1123265383.db2.gz ZECGKORTTCRSIF-ZDUSSCGKSA-N 0 3 295.386 3.745 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc2cnccc2o1 ZINC000850422671 1123265542 /nfs/dbraw/zinc/26/55/42/1123265542.db2.gz ZECGKORTTCRSIF-CYBMUJFWSA-N 0 3 295.386 3.745 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1cc2cnccc2o1 ZINC000850431086 1123266011 /nfs/dbraw/zinc/26/60/11/1123266011.db2.gz YTXYDBWTSNQTKU-LBPRGKRZSA-N 0 3 294.354 3.614 20 10 CHCDHN CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000850501861 1123275324 /nfs/dbraw/zinc/27/53/24/1123275324.db2.gz QIQNEGOCHFUPJT-AWEZNQCLSA-N 0 3 293.451 3.929 20 10 CHCDHN CC[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(C)cc1[O-] ZINC000850527475 1123282736 /nfs/dbraw/zinc/28/27/36/1123282736.db2.gz XTSOTUGXDSEFJB-OAHLLOKOSA-N 0 3 279.424 3.947 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)c1ccc(C)cc1[O-] ZINC000850535017 1123286022 /nfs/dbraw/zinc/28/60/22/1123286022.db2.gz PQYKJGHNNSGSSF-DZKIICNBSA-N 0 3 277.408 3.699 20 10 CHCDHN COCc1csc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000850533340 1123286406 /nfs/dbraw/zinc/28/64/06/1123286406.db2.gz WEKCIBBABLBZNH-LBPRGKRZSA-N 0 3 291.416 3.759 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)c2c1c(F)ccc2[O-] ZINC000850536505 1123286908 /nfs/dbraw/zinc/28/69/08/1123286908.db2.gz KQRKDTWTGOFUOB-YACGNSKGSA-N 0 3 285.309 3.715 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)c2c1c(F)ccc2[O-] ZINC000850535691 1123287344 /nfs/dbraw/zinc/28/73/44/1123287344.db2.gz ZHMZGIAWAPVMPB-SFTQSGBHSA-N 0 3 293.382 3.627 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)c1[O-] ZINC000850570410 1123294326 /nfs/dbraw/zinc/29/43/26/1123294326.db2.gz GYLIRWZCUDAAAC-NWDGAFQWSA-N 0 3 297.826 3.820 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCCOCC1 ZINC000776498223 1123305294 /nfs/dbraw/zinc/30/52/94/1123305294.db2.gz OCHFXENBEXUYGA-GOSISDBHSA-N 0 3 297.398 3.718 20 10 CHCDHN CC(C)C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCCC1 ZINC000110362239 1123395266 /nfs/dbraw/zinc/39/52/66/1123395266.db2.gz VCTXTUDMHLSPNL-UHFFFAOYSA-N 0 3 291.391 3.522 20 10 CHCDHN CC(C)C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCCC1 ZINC000110362239 1123395272 /nfs/dbraw/zinc/39/52/72/1123395272.db2.gz VCTXTUDMHLSPNL-UHFFFAOYSA-N 0 3 291.391 3.522 20 10 CHCDHN COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000783521095 1123470137 /nfs/dbraw/zinc/47/01/37/1123470137.db2.gz DTRMFCIBIJBMAS-ZIAGYGMSSA-N 0 3 285.387 3.683 20 10 CHCDHN CCC(CC)[C@H](CC[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000783519322 1123470311 /nfs/dbraw/zinc/47/03/11/1123470311.db2.gz RLSZAXGZBUUYSB-GUYCJALGSA-N 0 3 279.424 3.884 20 10 CHCDHN CCN1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000273440200 1129125831 /nfs/dbraw/zinc/12/58/31/1129125831.db2.gz YHGWRJCCBPZMBT-CQSZACIVSA-N 0 3 298.430 3.680 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000194155225 1129130863 /nfs/dbraw/zinc/13/08/63/1129130863.db2.gz WFMYSGLJMLICFC-CYBMUJFWSA-N 0 3 286.341 3.527 20 10 CHCDHN COc1ccc(F)c(CN[C@H](C)c2ccc(C)cc2O)c1 ZINC000857082000 1123585970 /nfs/dbraw/zinc/58/59/70/1123585970.db2.gz SGKYCUQNROMBRB-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccns1 ZINC000858576478 1123664542 /nfs/dbraw/zinc/66/45/42/1123664542.db2.gz KXHPPLUUAYRLAX-YWVKMMECSA-N 0 3 292.379 3.887 20 10 CHCDHN C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000840772482 1123789738 /nfs/dbraw/zinc/78/97/38/1123789738.db2.gz UPZJMJBJUGXCCH-HUUCEWRRSA-N 0 3 284.403 3.849 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1[O-] ZINC000862527779 1123815543 /nfs/dbraw/zinc/81/55/43/1123815543.db2.gz GGYJUPQUFZKDNC-CULMDFNYSA-N 0 3 295.810 3.580 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C)cc1[O-] ZINC000840819125 1123827947 /nfs/dbraw/zinc/82/79/47/1123827947.db2.gz FDJPVAWDBGYCRH-OEAJRASXSA-N 0 3 259.393 3.930 20 10 CHCDHN CC[C@H]([NH2+]CCCCSC)c1ccccc1[O-] ZINC000119186770 1123835193 /nfs/dbraw/zinc/83/51/93/1123835193.db2.gz HXYUDUWATIWWEW-ZDUSSCGKSA-N 0 3 253.411 3.576 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)c1[O-] ZINC000840859821 1123861609 /nfs/dbraw/zinc/86/16/09/1123861609.db2.gz MXXMYTYNWCHTLQ-JFGNBEQYSA-N 0 3 285.840 3.899 20 10 CHCDHN CC[C@@H]([NH2+]CCc1nc(C)cs1)c1ccc(C)cc1[O-] ZINC000794793739 1123951822 /nfs/dbraw/zinc/95/18/22/1123951822.db2.gz BPEFGLFQKNTQDS-CQSZACIVSA-N 0 3 290.432 3.749 20 10 CHCDHN CC[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(C)cc1[O-] ZINC000794806279 1123955381 /nfs/dbraw/zinc/95/53/81/1123955381.db2.gz ZSUJAZFQANNXRN-JQHSSLGASA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000794807842 1123956494 /nfs/dbraw/zinc/95/64/94/1123956494.db2.gz MBYBKNIVYVBEMV-MJGOQNOKSA-N 0 3 299.414 3.649 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)c1ccc(C)cc1[O-] ZINC000794811599 1123956506 /nfs/dbraw/zinc/95/65/06/1123956506.db2.gz RYQZJEBRNGMCRG-NUEKZKHPSA-N 0 3 277.408 3.555 20 10 CHCDHN CC[C@H]([NH2+]CCc1cnc(C)s1)c1ccc(C)cc1[O-] ZINC000794814039 1123957511 /nfs/dbraw/zinc/95/75/11/1123957511.db2.gz GNQFNDCBTZGZSX-HNNXBMFYSA-N 0 3 290.432 3.749 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1ccc(C)cc1[O-] ZINC000794815172 1123957801 /nfs/dbraw/zinc/95/78/01/1123957801.db2.gz HYFDIRIPYBHGFN-KMFMINBZSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(C)cc1[O-] ZINC000794812539 1123959067 /nfs/dbraw/zinc/95/90/67/1123959067.db2.gz XCPIDPKFDAHLGN-OCCSQVGLSA-N 0 3 265.422 3.637 20 10 CHCDHN C[C@H]([NH2+]CCCc1ccccc1F)c1ccccc1[O-] ZINC000794840487 1123988112 /nfs/dbraw/zinc/98/81/12/1123988112.db2.gz IXYGMEVHIYHNRX-ZDUSSCGKSA-N 0 3 273.351 3.815 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccccc1[O-] ZINC000866528949 1124078387 /nfs/dbraw/zinc/07/83/87/1124078387.db2.gz KVBGSSJPSRJZDH-HOCLYGCPSA-N 0 3 289.419 3.640 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)CC2 ZINC000866609308 1124087783 /nfs/dbraw/zinc/08/77/83/1124087783.db2.gz LGIKZEXHRVYMMW-JHJVBQTASA-N 0 3 297.320 3.866 20 10 CHCDHN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1cc(F)ccc1[O-] ZINC000866622541 1124091355 /nfs/dbraw/zinc/09/13/55/1124091355.db2.gz GEWGYLKUBMUYKH-MLGOLLRUSA-N 0 3 293.382 3.674 20 10 CHCDHN COCC(C)(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000872105050 1124683813 /nfs/dbraw/zinc/68/38/13/1124683813.db2.gz ZPMBQGWOTRWJSW-CQSZACIVSA-N 0 3 279.424 3.722 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@@H](O)c1ccccc1)c1ccccc1[O-] ZINC000872133524 1124692364 /nfs/dbraw/zinc/69/23/64/1124692364.db2.gz QOEUUTXYIRUSSI-LNLFQRSKSA-N 0 3 299.414 3.945 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CNc3ccccc32)c([O-])c1 ZINC000873236417 1124752736 /nfs/dbraw/zinc/75/27/36/1124752736.db2.gz HBSKRNXTQWRKNL-HUUCEWRRSA-N 0 3 296.414 3.951 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2)c([O-])c1 ZINC000020087388 1124805487 /nfs/dbraw/zinc/80/54/87/1124805487.db2.gz WJQSXQLTLHAUFC-ZDUSSCGKSA-N 0 3 273.351 3.733 20 10 CHCDHN CC[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccccc1[O-] ZINC000020826819 1124878393 /nfs/dbraw/zinc/87/83/93/1124878393.db2.gz XFDUZFXGUNGOMD-GOSISDBHSA-N 0 3 298.430 3.959 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)c([O-])c1 ZINC000876973883 1124992824 /nfs/dbraw/zinc/99/28/24/1124992824.db2.gz RGQFVYQGVZXVOF-MRXNPFEDSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1ccc(CN[C@@H]2COc3ccc(Cl)cc32)c(O)c1 ZINC000877090650 1125008957 /nfs/dbraw/zinc/00/89/57/1125008957.db2.gz WTWSUUNFMFLIRF-CQSZACIVSA-N 0 3 289.762 3.577 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000877533647 1125041240 /nfs/dbraw/zinc/04/12/40/1125041240.db2.gz UUVIHAUGHCDXRI-UHFFFAOYSA-N 0 3 269.335 3.710 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)C1CCC(F)(F)CC1 ZINC000877533647 1125041249 /nfs/dbraw/zinc/04/12/49/1125041249.db2.gz UUVIHAUGHCDXRI-UHFFFAOYSA-N 0 3 269.335 3.710 20 10 CHCDHN Cc1cccc(O)c1CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000877547074 1125042415 /nfs/dbraw/zinc/04/24/15/1125042415.db2.gz WLLAHJZTQNJWPJ-QGZVFWFLSA-N 0 3 282.387 3.679 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C1CC(OCc2ccccc2)C1 ZINC000821391554 1131327559 /nfs/dbraw/zinc/32/75/59/1131327559.db2.gz OBZWJBNAPPFLDA-UHFFFAOYSA-N 0 3 297.398 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C1CC(OCc2ccccc2)C1 ZINC000821391554 1131327565 /nfs/dbraw/zinc/32/75/65/1131327565.db2.gz OBZWJBNAPPFLDA-UHFFFAOYSA-N 0 3 297.398 3.572 20 10 CHCDHN CC[C@H](C[NH2+]Cc1c(C)cccc1[O-])CC(F)(F)F ZINC000877589503 1125049638 /nfs/dbraw/zinc/04/96/38/1125049638.db2.gz PGRIYRPGLJUNDC-NSHDSACASA-N 0 3 275.314 3.769 20 10 CHCDHN COc1ccc(CN[C@H](C)c2ccccc2O)c(Cl)c1 ZINC000877756345 1125072556 /nfs/dbraw/zinc/07/25/56/1125072556.db2.gz ICXXQISUGXOLBT-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(Cl)c1 ZINC000877756345 1125072562 /nfs/dbraw/zinc/07/25/62/1125072562.db2.gz ICXXQISUGXOLBT-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877757634 1125073952 /nfs/dbraw/zinc/07/39/52/1125073952.db2.gz PBHIDNUGCHXHRW-QWQRMKEZSA-N 0 3 285.387 3.819 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ccccc1[O-] ZINC000877756570 1125075157 /nfs/dbraw/zinc/07/51/57/1125075157.db2.gz UAKXQIAOVMUNLY-CYBMUJFWSA-N 0 3 267.372 3.732 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1[O-] ZINC000127658329 1125209119 /nfs/dbraw/zinc/20/91/19/1125209119.db2.gz IHDKWKLEPGHJPJ-CYBMUJFWSA-N 0 3 278.355 3.791 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1N(C)C ZINC000879648857 1125221974 /nfs/dbraw/zinc/22/19/74/1125221974.db2.gz CRJRCPNXYSBXOM-CQSZACIVSA-N 0 3 284.403 3.617 20 10 CHCDHN CSc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879650133 1125222419 /nfs/dbraw/zinc/22/24/19/1125222419.db2.gz KKIHHPMJGHPQDS-GFCCVEGCSA-N 0 3 273.401 3.965 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(CF)cc1)c1ccccc1[O-] ZINC000879650454 1125224334 /nfs/dbraw/zinc/22/43/34/1125224334.db2.gz APFGJWRLSQIAPO-LBPRGKRZSA-N 0 3 259.324 3.713 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC(C2CC2)C2CC2)c1[O-] ZINC000228675700 1125251287 /nfs/dbraw/zinc/25/12/87/1125251287.db2.gz AWUHWQKNZLZYRD-UHFFFAOYSA-N 0 3 295.810 3.580 20 10 CHCDHN COc1cccc(C[N@H+](CC(C)C)C2CCCC2)c1[O-] ZINC000211538888 1125308444 /nfs/dbraw/zinc/30/84/44/1125308444.db2.gz MIXFFJXPIWLWTA-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc(C[N@@H+](CC(C)C)C2CCCC2)c1[O-] ZINC000211538888 1125308450 /nfs/dbraw/zinc/30/84/50/1125308450.db2.gz MIXFFJXPIWLWTA-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1C)c1ccccc1[O-] ZINC000037718898 1129210001 /nfs/dbraw/zinc/21/00/01/1129210001.db2.gz IGXCPNMRRFARHV-INIZCTEOSA-N 0 3 255.361 3.942 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cccc([N+](=O)[O-])c1 ZINC000295992118 1129220912 /nfs/dbraw/zinc/22/09/12/1129220912.db2.gz NUFDGPWWIFAWPO-ABAIWWIYSA-N 0 3 298.342 3.639 20 10 CHCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)Cc2ccccc2O1 ZINC000795428725 1129274185 /nfs/dbraw/zinc/27/41/85/1129274185.db2.gz BAEXMVXAMQLEQK-OAHLLOKOSA-N 0 3 296.414 3.536 20 10 CHCDHN CN(C)c1ccc(CNC(C)(C)c2cccs2)cc1F ZINC000735086746 1129330893 /nfs/dbraw/zinc/33/08/93/1129330893.db2.gz RPUALNREPXTEFI-UHFFFAOYSA-N 0 3 292.423 3.978 20 10 CHCDHN CCC[C@@](C)(CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000735926150 1129361149 /nfs/dbraw/zinc/36/11/49/1129361149.db2.gz KIQBZYKBQURZTL-IBGZPJMESA-N 0 3 299.414 3.700 20 10 CHCDHN CCn1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000093319228 1129421004 /nfs/dbraw/zinc/42/10/04/1129421004.db2.gz XTLYRPRJEGGMHV-UHFFFAOYSA-N 0 3 299.418 3.553 20 10 CHCDHN CCn1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000093319228 1129421007 /nfs/dbraw/zinc/42/10/07/1129421007.db2.gz XTLYRPRJEGGMHV-UHFFFAOYSA-N 0 3 299.418 3.553 20 10 CHCDHN COc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000093689636 1129426646 /nfs/dbraw/zinc/42/66/46/1129426646.db2.gz SEURTYUTNDHCMB-WMLDXEAASA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000093689636 1129426648 /nfs/dbraw/zinc/42/66/48/1129426648.db2.gz SEURTYUTNDHCMB-WMLDXEAASA-N 0 3 297.398 3.779 20 10 CHCDHN CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000094617001 1129448160 /nfs/dbraw/zinc/44/81/60/1129448160.db2.gz IITVNAXMBQVUSZ-MLGOLLRUSA-N 0 3 296.430 3.548 20 10 CHCDHN C[C@@H]([NH2+]CCc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000094617112 1129448274 /nfs/dbraw/zinc/44/82/74/1129448274.db2.gz KRLUPSWTXCVDKF-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN C[C@H]([NH2+]CCC1CCCC1)c1cc(F)ccc1[O-] ZINC000094617631 1129448323 /nfs/dbraw/zinc/44/83/23/1129448323.db2.gz AMCYMJOSEKFIDM-NSHDSACASA-N 0 3 251.345 3.762 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1cc(F)ccc1[O-] ZINC000094617883 1129448362 /nfs/dbraw/zinc/44/83/62/1129448362.db2.gz CKBYQARLIPUVJS-WDEREUQCSA-N 0 3 279.380 3.875 20 10 CHCDHN CC[C@@H](O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742374112 1129475611 /nfs/dbraw/zinc/47/56/11/1129475611.db2.gz YUWWCSIRKSLWJV-GOSISDBHSA-N 0 3 299.414 3.700 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccncc1 ZINC000743870146 1129541681 /nfs/dbraw/zinc/54/16/81/1129541681.db2.gz IUHSQPSOZKLXJY-AWEZNQCLSA-N 0 3 270.376 3.760 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccncc1 ZINC000743870146 1129541683 /nfs/dbraw/zinc/54/16/83/1129541683.db2.gz IUHSQPSOZKLXJY-AWEZNQCLSA-N 0 3 270.376 3.760 20 10 CHCDHN Cc1cc(O)c(CNCc2ccc3c(n2)CCCC3)cc1C ZINC000767728814 1129810009 /nfs/dbraw/zinc/81/00/09/1129810009.db2.gz SUIRVOHKGOKGOX-UHFFFAOYSA-N 0 3 296.414 3.573 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOC1CCC1 ZINC000742385622 1129817697 /nfs/dbraw/zinc/81/76/97/1129817697.db2.gz MABNLQBXQBDTNJ-UHFFFAOYSA-N 0 3 297.398 3.718 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000768192864 1129843040 /nfs/dbraw/zinc/84/30/40/1129843040.db2.gz GBYFGFWHZLNCDH-QGZVFWFLSA-N 0 3 297.398 3.910 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000768192864 1129843046 /nfs/dbraw/zinc/84/30/46/1129843046.db2.gz GBYFGFWHZLNCDH-QGZVFWFLSA-N 0 3 297.398 3.910 20 10 CHCDHN Cc1cncc([C@@H](C)NCc2ccc(N(C)C)cc2C)c1 ZINC000768222606 1129843998 /nfs/dbraw/zinc/84/39/98/1129843998.db2.gz HBTBXGYIYGORTO-OAHLLOKOSA-N 0 3 283.419 3.615 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1[O-] ZINC000822812693 1131401291 /nfs/dbraw/zinc/40/12/91/1131401291.db2.gz KOOYSADABAENAR-ZJUUUORDSA-N 0 3 274.191 3.627 20 10 CHCDHN CCOc1ccc(CN(C)[C@H](C)c2ccco2)c(O)c1 ZINC000768261310 1129849309 /nfs/dbraw/zinc/84/93/09/1129849309.db2.gz AWFJHXDMNRNZLL-GFCCVEGCSA-N 0 3 275.348 3.577 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CC2CCC1CC2 ZINC000381987313 1129853289 /nfs/dbraw/zinc/85/32/89/1129853289.db2.gz XBLKXEAFJJSWKV-WOICTCIZSA-N 0 3 259.393 3.697 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000769426051 1129907705 /nfs/dbraw/zinc/90/77/05/1129907705.db2.gz BHISOHMDBCKZMX-GOSISDBHSA-N 0 3 287.403 3.723 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000769426051 1129907706 /nfs/dbraw/zinc/90/77/06/1129907706.db2.gz BHISOHMDBCKZMX-GOSISDBHSA-N 0 3 287.403 3.723 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000769542061 1129916331 /nfs/dbraw/zinc/91/63/31/1129916331.db2.gz ZBHKIUAKEUHDQL-FZKQIMNGSA-N 0 3 283.371 3.594 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000769542061 1129916334 /nfs/dbraw/zinc/91/63/34/1129916334.db2.gz ZBHKIUAKEUHDQL-FZKQIMNGSA-N 0 3 283.371 3.594 20 10 CHCDHN CCCC[N@H+](CC[C@H]1CCCCO1)Cc1ccccc1[O-] ZINC000801594653 1129930982 /nfs/dbraw/zinc/93/09/82/1129930982.db2.gz JFEQLSARJZIKHU-QGZVFWFLSA-N 0 3 291.435 3.954 20 10 CHCDHN CCCC[N@@H+](CC[C@H]1CCCCO1)Cc1ccccc1[O-] ZINC000801594653 1129930986 /nfs/dbraw/zinc/93/09/86/1129930986.db2.gz JFEQLSARJZIKHU-QGZVFWFLSA-N 0 3 291.435 3.954 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000770508585 1129948103 /nfs/dbraw/zinc/94/81/03/1129948103.db2.gz AGMXYQNIUGQOBN-QGZVFWFLSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000770508585 1129948106 /nfs/dbraw/zinc/94/81/06/1129948106.db2.gz AGMXYQNIUGQOBN-QGZVFWFLSA-N 0 3 285.362 3.738 20 10 CHCDHN CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccccc1[O-] ZINC000770509824 1129949006 /nfs/dbraw/zinc/94/90/06/1129949006.db2.gz UNJCLUYGYFCXMP-AWEZNQCLSA-N 0 3 273.401 3.963 20 10 CHCDHN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1[O-] ZINC000770509824 1129949010 /nfs/dbraw/zinc/94/90/10/1129949010.db2.gz UNJCLUYGYFCXMP-AWEZNQCLSA-N 0 3 273.401 3.963 20 10 CHCDHN CC1CCC([N@H+](Cc2ccccc2[O-])C2CC2)CC1 ZINC000770509329 1129949054 /nfs/dbraw/zinc/94/90/54/1129949054.db2.gz LJLGEWOFPZQPLJ-UHFFFAOYSA-N 0 3 259.393 3.935 20 10 CHCDHN CC1CCC([N@@H+](Cc2ccccc2[O-])C2CC2)CC1 ZINC000770509329 1129949056 /nfs/dbraw/zinc/94/90/56/1129949056.db2.gz LJLGEWOFPZQPLJ-UHFFFAOYSA-N 0 3 259.393 3.935 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000770739531 1129957533 /nfs/dbraw/zinc/95/75/33/1129957533.db2.gz CRSQIHHETOSGGZ-WBVHZDCISA-N 0 3 267.372 3.818 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2cccc(F)c2C1 ZINC001171005900 1131413238 /nfs/dbraw/zinc/41/32/38/1131413238.db2.gz SDZOWPRQFACJMK-OAHLLOKOSA-N 0 3 285.362 3.521 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2cccc(F)c2C1 ZINC001171005900 1131413240 /nfs/dbraw/zinc/41/32/40/1131413240.db2.gz SDZOWPRQFACJMK-OAHLLOKOSA-N 0 3 285.362 3.521 20 10 CHCDHN CNc1ccc(C)cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000902489667 1130016708 /nfs/dbraw/zinc/01/67/08/1130016708.db2.gz KGMAUODAISXJKS-HNNXBMFYSA-N 0 3 297.446 3.954 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccccc1[O-] ZINC000786431602 1130094142 /nfs/dbraw/zinc/09/41/42/1130094142.db2.gz ROZQWNAZRIALGN-LSDHHAIUSA-N 0 3 289.419 3.925 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1F ZINC000787112206 1130130900 /nfs/dbraw/zinc/13/09/00/1130130900.db2.gz QQPLSPGWWUKYNJ-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1F ZINC000787112206 1130130903 /nfs/dbraw/zinc/13/09/03/1130130903.db2.gz QQPLSPGWWUKYNJ-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2c(C)cc(CO)cc2C)c([O-])c1 ZINC000903307784 1130149994 /nfs/dbraw/zinc/14/99/94/1130149994.db2.gz KNPGHUUCISISNP-OAHLLOKOSA-N 0 3 299.414 3.661 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cncs1)c1ccc(C)cc1[O-] ZINC000903312725 1130151509 /nfs/dbraw/zinc/15/15/09/1130151509.db2.gz XXROKCJCXJDKMK-YPMHNXCESA-N 0 3 276.405 3.959 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cncs1)c1ccc(C)cc1[O-] ZINC000903312722 1130151792 /nfs/dbraw/zinc/15/17/92/1130151792.db2.gz XXROKCJCXJDKMK-DGCLKSJQSA-N 0 3 276.405 3.959 20 10 CHCDHN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903341308 1130163123 /nfs/dbraw/zinc/16/31/23/1130163123.db2.gz XLAMYHDHSHAZRZ-LIRRHRJNSA-N 0 3 295.430 3.950 20 10 CHCDHN CCOC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(C)C ZINC000788985783 1130222044 /nfs/dbraw/zinc/22/20/44/1130222044.db2.gz RXMTXMLFOVTWCR-UBHSHLNASA-N 0 3 295.398 3.730 20 10 CHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1C=CCC1 ZINC000826940900 1130315733 /nfs/dbraw/zinc/31/57/33/1130315733.db2.gz HDFZITRSGIJNFW-KRWDZBQOSA-N 0 3 295.382 3.779 20 10 CHCDHN COc1cccc([C@@]2(C)CC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC000827283952 1130545902 /nfs/dbraw/zinc/54/59/02/1130545902.db2.gz RLNMMUAAYQFABX-IBGZPJMESA-N 0 3 297.398 3.564 20 10 CHCDHN COc1cccc([C@@]2(C)CC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC000827283952 1130545909 /nfs/dbraw/zinc/54/59/09/1130545909.db2.gz RLNMMUAAYQFABX-IBGZPJMESA-N 0 3 297.398 3.564 20 10 CHCDHN COc1ccc(C[NH2+]C[C@H](C)CCc2ccccc2)c([O-])c1 ZINC000793389037 1130551262 /nfs/dbraw/zinc/55/12/62/1130551262.db2.gz TWESBAIDBPDSDL-OAHLLOKOSA-N 0 3 299.414 3.759 20 10 CHCDHN CCCC[C@@H](C)[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000811520378 1130615186 /nfs/dbraw/zinc/61/51/86/1130615186.db2.gz NWKHJYFKUBKYQI-CYBMUJFWSA-N 0 3 265.397 3.801 20 10 CHCDHN CCCC[C@@H](C)[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000811520378 1130615188 /nfs/dbraw/zinc/61/51/88/1130615188.db2.gz NWKHJYFKUBKYQI-CYBMUJFWSA-N 0 3 265.397 3.801 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000780520428 1130683014 /nfs/dbraw/zinc/68/30/14/1130683014.db2.gz PEPGULUMPWCKII-WMLDXEAASA-N 0 3 285.362 3.957 20 10 CHCDHN C[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001235002371 1130700384 /nfs/dbraw/zinc/70/03/84/1130700384.db2.gz PTIPRBDOLXBUTA-AWEZNQCLSA-N 0 3 267.372 3.901 20 10 CHCDHN C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001235002371 1130700389 /nfs/dbraw/zinc/70/03/89/1130700389.db2.gz PTIPRBDOLXBUTA-AWEZNQCLSA-N 0 3 267.372 3.901 20 10 CHCDHN [O-]c1c(C[NH+]2CCCC2)cccc1-c1ccccc1 ZINC001234989304 1130701028 /nfs/dbraw/zinc/70/10/28/1130701028.db2.gz CUFXCDZYWFCAPB-UHFFFAOYSA-N 0 3 253.345 3.655 20 10 CHCDHN CN(Cc1ccncc1)Cc1ccc(C(C)(C)C)cc1O ZINC001235676776 1130766704 /nfs/dbraw/zinc/76/67/04/1130766704.db2.gz URLFPYFADRFHBT-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN CO[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@H](C)C1 ZINC001235682403 1130768997 /nfs/dbraw/zinc/76/89/97/1130768997.db2.gz WTYZOFLAIUAOEV-CJNGLKHVSA-N 0 3 291.435 3.689 20 10 CHCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@H](C)C1 ZINC001235682403 1130769002 /nfs/dbraw/zinc/76/90/02/1130769002.db2.gz WTYZOFLAIUAOEV-CJNGLKHVSA-N 0 3 291.435 3.689 20 10 CHCDHN Cc1cccc(C)c1OCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000783500478 1130830647 /nfs/dbraw/zinc/83/06/47/1130830647.db2.gz HJWLIUIWNNGDJO-OAHLLOKOSA-N 0 3 285.387 3.739 20 10 CHCDHN C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccccc1O ZINC000783518828 1130833879 /nfs/dbraw/zinc/83/38/79/1130833879.db2.gz PBJKIDLPSJJQCH-QMTHXVAHSA-N 0 3 289.762 3.830 20 10 CHCDHN C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccccc1[O-] ZINC000783522542 1130834190 /nfs/dbraw/zinc/83/41/90/1130834190.db2.gz PFRFMCZHAWJXET-FHSNZYRGSA-N 0 3 267.372 3.976 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000814169202 1130837969 /nfs/dbraw/zinc/83/79/69/1130837969.db2.gz FEEDXJJPFCSHFU-LLVKDONJSA-N 0 3 287.325 3.837 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000783593501 1130842128 /nfs/dbraw/zinc/84/21/28/1130842128.db2.gz VBBDMHKRGCMZIH-IAOVAPTHSA-N 0 3 289.419 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000783593501 1130842133 /nfs/dbraw/zinc/84/21/33/1130842133.db2.gz VBBDMHKRGCMZIH-IAOVAPTHSA-N 0 3 289.419 3.801 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H]2CC[C@H](CC)CC2)c([O-])c1 ZINC000814299791 1130861944 /nfs/dbraw/zinc/86/19/44/1130861944.db2.gz CPNQIJCIBMKGRZ-CTYIDZIISA-N 0 3 277.408 3.849 20 10 CHCDHN CCOc1ccc(C[NH2+]C(C)(C)C(C)(C)C)c([O-])c1 ZINC000814301025 1130862593 /nfs/dbraw/zinc/86/25/93/1130862593.db2.gz SYOIWQMPWWDONH-UHFFFAOYSA-N 0 3 265.397 3.705 20 10 CHCDHN CCN(C)c1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000815119703 1130958484 /nfs/dbraw/zinc/95/84/84/1130958484.db2.gz FJDRTWMCFXEIPJ-CYBMUJFWSA-N 0 3 282.378 3.620 20 10 CHCDHN CO[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000815153767 1130963016 /nfs/dbraw/zinc/96/30/16/1130963016.db2.gz XXHOGXKNNPTQSS-LJQANCHMSA-N 0 3 297.398 3.574 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(C)(C)O ZINC000815155913 1130963173 /nfs/dbraw/zinc/96/31/73/1130963173.db2.gz ZDTNWYHSATVGFM-GOSISDBHSA-N 0 3 299.414 3.698 20 10 CHCDHN COCCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCC1 ZINC000815589259 1131004827 /nfs/dbraw/zinc/00/48/27/1131004827.db2.gz NHHUFTGDZPVUMF-OAHLLOKOSA-N 0 3 291.435 3.866 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001236783279 1131006652 /nfs/dbraw/zinc/00/66/52/1131006652.db2.gz JOFIJURIRBJKTF-CQSZACIVSA-N 0 3 287.325 3.524 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c([O-])c1 ZINC001236783279 1131006657 /nfs/dbraw/zinc/00/66/57/1131006657.db2.gz JOFIJURIRBJKTF-CQSZACIVSA-N 0 3 287.325 3.524 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccccc2C)c([O-])c1 ZINC001236789642 1131006710 /nfs/dbraw/zinc/00/67/10/1131006710.db2.gz PQECALAHYAYVAL-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccccc2C)c([O-])c1 ZINC001236789642 1131006715 /nfs/dbraw/zinc/00/67/15/1131006715.db2.gz PQECALAHYAYVAL-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001236787610 1131007416 /nfs/dbraw/zinc/00/74/16/1131007416.db2.gz IQOZXSVVBPHDLR-HZPDHXFCSA-N 0 3 273.420 3.967 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001236787610 1131007423 /nfs/dbraw/zinc/00/74/23/1131007423.db2.gz IQOZXSVVBPHDLR-HZPDHXFCSA-N 0 3 273.420 3.967 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC=C(C)C3)c2c1 ZINC000797821750 1131007779 /nfs/dbraw/zinc/00/77/79/1131007779.db2.gz DFFJZEJJINQHNN-UHFFFAOYSA-N 0 3 283.371 3.706 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC=C(C)C3)c2c1 ZINC000797821750 1131007783 /nfs/dbraw/zinc/00/77/83/1131007783.db2.gz DFFJZEJJINQHNN-UHFFFAOYSA-N 0 3 283.371 3.706 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000815576437 1131008036 /nfs/dbraw/zinc/00/80/36/1131008036.db2.gz QHXNNJRSJXABJR-GJZGRUSLSA-N 0 3 299.414 3.996 20 10 CHCDHN CCc1ccc(CN2CCc3ccc(F)cc3C2)c(O)c1 ZINC001236795676 1131008346 /nfs/dbraw/zinc/00/83/46/1131008346.db2.gz YUHSNLJFNGJLIW-UHFFFAOYSA-N 0 3 285.362 3.652 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001236807658 1131012185 /nfs/dbraw/zinc/01/21/85/1131012185.db2.gz HWUVCFOFAWVUDV-UHFFFAOYSA-N 0 3 289.419 3.865 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001236807658 1131012190 /nfs/dbraw/zinc/01/21/90/1131012190.db2.gz HWUVCFOFAWVUDV-UHFFFAOYSA-N 0 3 289.419 3.865 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@H](C)F)c1[O-] ZINC000815645452 1131015319 /nfs/dbraw/zinc/01/53/19/1131015319.db2.gz FYWUYUWNKMITBP-VHSXEESVSA-N 0 3 259.752 3.753 20 10 CHCDHN CC(C)O[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835042 1131018499 /nfs/dbraw/zinc/01/84/99/1131018499.db2.gz GGHOKLJCPCIQFR-QGZVFWFLSA-N 0 3 285.387 3.545 20 10 CHCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835042 1131018502 /nfs/dbraw/zinc/01/85/02/1131018502.db2.gz GGHOKLJCPCIQFR-QGZVFWFLSA-N 0 3 285.387 3.545 20 10 CHCDHN CCCO[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833223 1131019478 /nfs/dbraw/zinc/01/94/78/1131019478.db2.gz AZKHQIZEQUQIDT-QGZVFWFLSA-N 0 3 285.387 3.546 20 10 CHCDHN CCCO[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236833223 1131019483 /nfs/dbraw/zinc/01/94/83/1131019483.db2.gz AZKHQIZEQUQIDT-QGZVFWFLSA-N 0 3 285.387 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001236839576 1131020496 /nfs/dbraw/zinc/02/04/96/1131020496.db2.gz GUCORMAUGMMUAT-CYBMUJFWSA-N 0 3 273.351 3.727 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001236839576 1131020501 /nfs/dbraw/zinc/02/05/01/1131020501.db2.gz GUCORMAUGMMUAT-CYBMUJFWSA-N 0 3 273.351 3.727 20 10 CHCDHN CCCC1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC001237041024 1131038473 /nfs/dbraw/zinc/03/84/73/1131038473.db2.gz ALPLGSVTAFBLFL-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c([O-])c1 ZINC001237048919 1131040077 /nfs/dbraw/zinc/04/00/77/1131040077.db2.gz JTJGFVMKHVQSDU-SFHVURJKSA-N 0 3 289.419 3.518 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c([O-])c1 ZINC001237048919 1131040082 /nfs/dbraw/zinc/04/00/82/1131040082.db2.gz JTJGFVMKHVQSDU-SFHVURJKSA-N 0 3 289.419 3.518 20 10 CHCDHN CC(C)c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001237045799 1131040961 /nfs/dbraw/zinc/04/09/61/1131040961.db2.gz KXLYKEPEYOKJFL-HUUCEWRRSA-N 0 3 259.393 3.748 20 10 CHCDHN CCC[N@H+](CC)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138232 1131056571 /nfs/dbraw/zinc/05/65/71/1131056571.db2.gz WBYHXTLPLQPZRG-UHFFFAOYSA-N 0 3 261.287 3.643 20 10 CHCDHN CCC[N@@H+](CC)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237138232 1131056576 /nfs/dbraw/zinc/05/65/76/1131056576.db2.gz WBYHXTLPLQPZRG-UHFFFAOYSA-N 0 3 261.287 3.643 20 10 CHCDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1c(C)cccc1[O-] ZINC001237491044 1131104319 /nfs/dbraw/zinc/10/43/19/1131104319.db2.gz FPBLMERRNKIJPM-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(C)cccc1[O-] ZINC001237491044 1131104322 /nfs/dbraw/zinc/10/43/22/1131104322.db2.gz FPBLMERRNKIJPM-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN Cc1cccc(O)c1CN1CCc2cc(Cl)ccc2C1 ZINC001237488005 1131104764 /nfs/dbraw/zinc/10/47/64/1131104764.db2.gz OMGFSDUQNNCACY-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])C1CC1 ZINC001237641720 1131124068 /nfs/dbraw/zinc/12/40/68/1131124068.db2.gz WHAHQKUPGQWDGW-UHFFFAOYSA-N 0 3 271.335 3.793 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])C1CC1 ZINC001237641720 1131124072 /nfs/dbraw/zinc/12/40/72/1131124072.db2.gz WHAHQKUPGQWDGW-UHFFFAOYSA-N 0 3 271.335 3.793 20 10 CHCDHN C[C@H](c1cccnc1)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001116590488 1131156208 /nfs/dbraw/zinc/15/62/08/1131156208.db2.gz WMGLNVJVLPJLHZ-MRXNPFEDSA-N 0 3 295.430 3.875 20 10 CHCDHN CCN(CC)c1ccc(CNCc2cc(C)nc(C)c2)cc1 ZINC000817411461 1131160917 /nfs/dbraw/zinc/16/09/17/1131160917.db2.gz RNJDCENLUNUXHB-UHFFFAOYSA-N 0 3 297.446 3.834 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCCCC[C@H]2C)c1[O-] ZINC001238062140 1131167164 /nfs/dbraw/zinc/16/71/64/1131167164.db2.gz UZKSMYJJPZRVIV-GFCCVEGCSA-N 0 3 251.345 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCCCC[C@H]2C)c1[O-] ZINC001238062140 1131167165 /nfs/dbraw/zinc/16/71/65/1131167165.db2.gz UZKSMYJJPZRVIV-GFCCVEGCSA-N 0 3 251.345 3.604 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CC13CCSCC3)CC2 ZINC000817590629 1131175269 /nfs/dbraw/zinc/17/52/69/1131175269.db2.gz ZFXYGZBXRQYBNP-ZIAGYGMSSA-N 0 3 289.444 3.502 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C/C=C\C2CC2)c1[O-] ZINC001117712577 1131193544 /nfs/dbraw/zinc/19/35/44/1131193544.db2.gz IONZZEULGNRRNF-DLRQAJBASA-N 0 3 265.784 3.971 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)cc(N)c1)c1ccc(C)cc1[O-] ZINC000817980408 1131195472 /nfs/dbraw/zinc/19/54/72/1131195472.db2.gz LCULTPXNFQJJCM-KRWDZBQOSA-N 0 3 284.403 3.832 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1cc(F)ccc1[O-] ZINC000818344856 1131209749 /nfs/dbraw/zinc/20/97/49/1131209749.db2.gz HKCFGINRKPLGAW-GMXABZIVSA-N 0 3 263.356 3.618 20 10 CHCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])c1cc(F)cc(F)c1 ZINC000823752067 1131440890 /nfs/dbraw/zinc/44/08/90/1131440890.db2.gz BHGHCWPXOZKHIT-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000824593937 1131476310 /nfs/dbraw/zinc/47/63/10/1131476310.db2.gz VSRSOPUIAIOINF-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000824593937 1131476311 /nfs/dbraw/zinc/47/63/11/1131476311.db2.gz VSRSOPUIAIOINF-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C1CC(F)(F)C1 ZINC001138213824 1131478066 /nfs/dbraw/zinc/47/80/66/1131478066.db2.gz AZZYCDUVYGHLHB-UHFFFAOYSA-N 0 3 294.389 3.906 20 10 CHCDHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138214242 1131478209 /nfs/dbraw/zinc/47/82/09/1131478209.db2.gz ZCMBFHPRBKHXGV-UHFFFAOYSA-N 0 3 258.409 3.519 20 10 CHCDHN CCCc1ncc(CN[C@H](CC)c2ccccc2O)o1 ZINC000825085457 1131499134 /nfs/dbraw/zinc/49/91/34/1131499134.db2.gz KVVFKHHXEHCMGH-CQSZACIVSA-N 0 3 274.364 3.574 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134450 1131499892 /nfs/dbraw/zinc/49/98/92/1131499892.db2.gz ZJWDWWBCOHJXBM-IBGZPJMESA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134450 1131499894 /nfs/dbraw/zinc/49/98/94/1131499894.db2.gz ZJWDWWBCOHJXBM-IBGZPJMESA-N 0 3 297.398 3.548 20 10 CHCDHN CCCc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)s1 ZINC001138527091 1131516359 /nfs/dbraw/zinc/51/63/59/1131516359.db2.gz DPHWYTUKBFMLFA-UHFFFAOYSA-N 0 3 287.428 3.965 20 10 CHCDHN CCCc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)s1 ZINC001138527091 1131516361 /nfs/dbraw/zinc/51/63/61/1131516361.db2.gz DPHWYTUKBFMLFA-UHFFFAOYSA-N 0 3 287.428 3.965 20 10 CHCDHN Cc1ccc(CC[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC001140055413 1131659603 /nfs/dbraw/zinc/65/96/03/1131659603.db2.gz WUVQDQLRWZDZOV-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1ccc(CC[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC001140055413 1131659609 /nfs/dbraw/zinc/65/96/09/1131659609.db2.gz WUVQDQLRWZDZOV-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](COC)CC(C)(C)C)c1ccccc1[O-] ZINC000845993348 1131679305 /nfs/dbraw/zinc/67/93/05/1131679305.db2.gz YGPOALJTIORNFW-UKRRQHHQSA-N 0 3 279.424 3.884 20 10 CHCDHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCc3cccc(O)c32)o1 ZINC000834518165 1131680918 /nfs/dbraw/zinc/68/09/18/1131680918.db2.gz DYAWEPAUVMCXLD-BYCMXARLSA-N 0 3 283.371 3.886 20 10 CHCDHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCc3cccc(O)c32)o1 ZINC000834518168 1131681197 /nfs/dbraw/zinc/68/11/97/1131681197.db2.gz DYAWEPAUVMCXLD-UGFHNGPFSA-N 0 3 283.371 3.886 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccccc1[O-] ZINC000846044042 1131683747 /nfs/dbraw/zinc/68/37/47/1131683747.db2.gz NKUKJLGRTLLUSH-UCLAIMLFSA-N 0 3 299.414 3.729 20 10 CHCDHN CCC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccn1 ZINC000834566960 1131683971 /nfs/dbraw/zinc/68/39/71/1131683971.db2.gz WBHNYAPSQBTTAK-HZPDHXFCSA-N 0 3 282.387 3.906 20 10 CHCDHN COc1cc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)ccc1C ZINC000834598066 1131686235 /nfs/dbraw/zinc/68/62/35/1131686235.db2.gz MNUQNBKZKPAITC-MRXNPFEDSA-N 0 3 297.398 3.529 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846118674 1131688458 /nfs/dbraw/zinc/68/84/58/1131688458.db2.gz YIOQPEHLLXWGDM-ZDUSSCGKSA-N 0 3 287.737 3.585 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846118674 1131688460 /nfs/dbraw/zinc/68/84/60/1131688460.db2.gz YIOQPEHLLXWGDM-ZDUSSCGKSA-N 0 3 287.737 3.585 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cc3ccccc3o1)CC2 ZINC000834663997 1131691816 /nfs/dbraw/zinc/69/18/16/1131691816.db2.gz LRNAFJGKKDNRKQ-MRXNPFEDSA-N 0 3 293.366 3.958 20 10 CHCDHN Cc1cccc(C)c1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834685146 1131693500 /nfs/dbraw/zinc/69/35/00/1131693500.db2.gz JHYCJZPZKCEKNS-INIZCTEOSA-N 0 3 267.372 3.786 20 10 CHCDHN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000846183996 1131696912 /nfs/dbraw/zinc/69/69/12/1131696912.db2.gz LLPPMKUDFJFFQF-NUEKZKHPSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834765454 1131703311 /nfs/dbraw/zinc/70/33/11/1131703311.db2.gz MJKRQBOTBZWNRI-QWRGUYRKSA-N 0 3 273.298 3.700 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1C[C@H](c3ccccc3)C1)CC2 ZINC000834790728 1131705190 /nfs/dbraw/zinc/70/51/90/1131705190.db2.gz VDEFTRSLHISLCA-ULQDDVLXSA-N 0 3 279.383 3.915 20 10 CHCDHN C[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1(Cl)Cl ZINC000834884052 1131717990 /nfs/dbraw/zinc/71/79/90/1131717990.db2.gz IRVJOGHYFHNFAC-ZWNOBZJWSA-N 0 3 286.202 3.553 20 10 CHCDHN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(C)cc1O ZINC000834895822 1131720751 /nfs/dbraw/zinc/72/07/51/1131720751.db2.gz RVIDWFLDJIOEBP-QEJZJMRPSA-N 0 3 285.391 3.644 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000834906139 1131728984 /nfs/dbraw/zinc/72/89/84/1131728984.db2.gz NCGSFXHZFHNVJF-QEJZJMRPSA-N 0 3 259.393 3.706 20 10 CHCDHN C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000834908973 1131730071 /nfs/dbraw/zinc/73/00/71/1131730071.db2.gz NVUDOIHXNDFIFA-SECBINFHSA-N 0 3 273.298 3.617 20 10 CHCDHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1cccnc1 ZINC000835036711 1131761422 /nfs/dbraw/zinc/76/14/22/1131761422.db2.gz QMLDXOOEVKCNNM-DRDHIDPGSA-N 0 3 281.403 3.512 20 10 CHCDHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1cncc(F)c1 ZINC000835048171 1131764873 /nfs/dbraw/zinc/76/48/73/1131764873.db2.gz MNVWYVMCEYJVLH-WSNITJDQSA-N 0 3 299.393 3.651 20 10 CHCDHN CSC1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925133 1131964735 /nfs/dbraw/zinc/96/47/35/1131964735.db2.gz OLLFXCKVUWWLOS-UHFFFAOYSA-N 0 3 298.883 3.733 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC001140948056 1131969124 /nfs/dbraw/zinc/96/91/24/1131969124.db2.gz RBIUYRBEBWMLBV-AWEZNQCLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC001140948056 1131969127 /nfs/dbraw/zinc/96/91/27/1131969127.db2.gz RBIUYRBEBWMLBV-AWEZNQCLSA-N 0 3 267.372 3.820 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2c(F)cccc2C1)c1ccccc1[O-] ZINC001171404112 1131970113 /nfs/dbraw/zinc/97/01/13/1131970113.db2.gz FPHQRZAMGKXTJS-TZMCWYRMSA-N 0 3 285.362 3.739 20 10 CHCDHN COc1cccc([C@@H]2CC[N@H+](Cc3ccc(C)cc3[O-])C2)c1 ZINC001140954458 1131972219 /nfs/dbraw/zinc/97/22/19/1131972219.db2.gz SGGYKGAGBDFLAA-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])C2)c1 ZINC001140954458 1131972222 /nfs/dbraw/zinc/97/22/22/1131972222.db2.gz SGGYKGAGBDFLAA-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN Cc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c([O-])c1 ZINC001140957738 1131974326 /nfs/dbraw/zinc/97/43/26/1131974326.db2.gz MDGQOMVPXCFSGF-HNNXBMFYSA-N 0 3 277.383 3.805 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)Cc1ccco1)c1ccccc1[O-] ZINC000036993587 1131985599 /nfs/dbraw/zinc/98/55/99/1131985599.db2.gz WUNCNCKKLKQFEO-WFASDCNBSA-N 0 3 259.349 3.657 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccco2)c([O-])c1 ZINC000036993359 1131986456 /nfs/dbraw/zinc/98/64/56/1131986456.db2.gz MAGZFBCGIFBTTF-OLZOCXBDSA-N 0 3 259.349 3.575 20 10 CHCDHN Cc1cccc2c1CC[C@@H]([N@@H+]1CCc3cccc([O-])c3C1)C2 ZINC001171572194 1132058615 /nfs/dbraw/zinc/05/86/15/1132058615.db2.gz ABTMTTNVWGLVKX-QGZVFWFLSA-N 0 3 293.410 3.616 20 10 CHCDHN Cc1cccc2c1CC[C@@H]([N@H+]1CCc3cccc([O-])c3C1)C2 ZINC001171572194 1132058617 /nfs/dbraw/zinc/05/86/17/1132058617.db2.gz ABTMTTNVWGLVKX-QGZVFWFLSA-N 0 3 293.410 3.616 20 10 CHCDHN CC[C@@H](C)OCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001172343475 1132178004 /nfs/dbraw/zinc/17/80/04/1132178004.db2.gz QFMXGXDHTJRTLG-BFHYXJOUSA-N 0 3 265.397 3.637 20 10 CHCDHN CSc1ccc(CN2CCc3cccc(O)c3C2)s1 ZINC001142029095 1132302758 /nfs/dbraw/zinc/30/27/58/1132302758.db2.gz KEKAINFJPSPHEU-UHFFFAOYSA-N 0 3 291.441 3.734 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)s1 ZINC001231502376 1132309146 /nfs/dbraw/zinc/30/91/46/1132309146.db2.gz BQBMMVIFAVFEJB-UHFFFAOYSA-N 0 3 273.401 3.574 20 10 CHCDHN CCc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)s1 ZINC001231502376 1132309157 /nfs/dbraw/zinc/30/91/57/1132309157.db2.gz BQBMMVIFAVFEJB-UHFFFAOYSA-N 0 3 273.401 3.574 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H](c1ccccn1)C(C)C ZINC000840934749 1132310738 /nfs/dbraw/zinc/31/07/38/1132310738.db2.gz WWDHLIZYKPNBKU-IBGZPJMESA-N 0 3 297.446 3.943 20 10 CHCDHN C[C@]1(F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1F ZINC001231587627 1132319331 /nfs/dbraw/zinc/31/93/31/1132319331.db2.gz WSISTPCOUCEPBE-IRXDYDNUSA-N 0 3 291.341 3.817 20 10 CHCDHN C[C@]1(F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1F ZINC001231587627 1132319339 /nfs/dbraw/zinc/31/93/39/1132319339.db2.gz WSISTPCOUCEPBE-IRXDYDNUSA-N 0 3 291.341 3.817 20 10 CHCDHN Cc1ccc2c(c1)C[C@H]([N@@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001172844361 1132335860 /nfs/dbraw/zinc/33/58/60/1132335860.db2.gz RPEZLCJMYFTFSZ-GOSISDBHSA-N 0 3 293.410 3.616 20 10 CHCDHN Cc1ccc2c(c1)C[C@H]([N@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001172844361 1132335868 /nfs/dbraw/zinc/33/58/68/1132335868.db2.gz RPEZLCJMYFTFSZ-GOSISDBHSA-N 0 3 293.410 3.616 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCCCC2)c([O-])c1 ZINC000841760980 1132396154 /nfs/dbraw/zinc/39/61/54/1132396154.db2.gz HLJFXZKJRWYVIW-GOEBONIOSA-N 0 3 291.435 3.683 20 10 CHCDHN C[C@@H](N[C@H]1COCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000841762357 1132397173 /nfs/dbraw/zinc/39/71/73/1132397173.db2.gz WNLZVJPYKYALCN-KUHUBIRLSA-N 0 3 296.414 3.675 20 10 CHCDHN CN(Cc1ccnc(C(C)(C)C)c1)Cc1ccccc1O ZINC001232220186 1132438911 /nfs/dbraw/zinc/43/89/11/1132438911.db2.gz GJJLCTYUSPFXFB-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000842903839 1132474288 /nfs/dbraw/zinc/47/42/88/1132474288.db2.gz YUXLIZPAFGFEDC-ZACQAIPSSA-N 0 3 279.383 3.773 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCS[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000842929958 1132477253 /nfs/dbraw/zinc/47/72/53/1132477253.db2.gz RAWMUMAXUZVUIW-IQIPOGNMSA-N 0 3 281.396 3.563 20 10 CHCDHN CC[C@H]([NH2+]CC1CCC(F)CC1)c1ccccc1[O-] ZINC000842930682 1132477913 /nfs/dbraw/zinc/47/79/13/1132477913.db2.gz ZKUQHLBDLNQFRZ-PIMMBPRGSA-N 0 3 265.372 3.961 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1cccc3ncsc31)CC2 ZINC001232735726 1132512892 /nfs/dbraw/zinc/51/28/92/1132512892.db2.gz AKBJRXRUWZZOPP-UHFFFAOYSA-N 0 3 296.395 3.560 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1cccc3ncsc31)CC2 ZINC001232735726 1132512893 /nfs/dbraw/zinc/51/28/93/1132512893.db2.gz AKBJRXRUWZZOPP-UHFFFAOYSA-N 0 3 296.395 3.560 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000843416458 1132531067 /nfs/dbraw/zinc/53/10/67/1132531067.db2.gz SDLJIBDLYLDQRF-BBRMVZONSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000843416458 1132531074 /nfs/dbraw/zinc/53/10/74/1132531074.db2.gz SDLJIBDLYLDQRF-BBRMVZONSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1[O-] ZINC001233288002 1132597095 /nfs/dbraw/zinc/59/70/95/1132597095.db2.gz RARWCJXRHNXHJH-NEPJUHHUSA-N 0 3 295.810 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1[O-] ZINC001233288002 1132597097 /nfs/dbraw/zinc/59/70/97/1132597097.db2.gz RARWCJXRHNXHJH-NEPJUHHUSA-N 0 3 295.810 3.676 20 10 CHCDHN CSCCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808695973 1132765906 /nfs/dbraw/zinc/76/59/06/1132765906.db2.gz QPYRALFTRSUYAM-JTQLQIEISA-N 0 3 273.829 3.758 20 10 CHCDHN COc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC001203620391 1133345574 /nfs/dbraw/zinc/34/55/74/1133345574.db2.gz DAXDQGCXJCMELO-CYBMUJFWSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC001203620391 1133345579 /nfs/dbraw/zinc/34/55/79/1133345579.db2.gz DAXDQGCXJCMELO-CYBMUJFWSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)c(C)c1C ZINC001203723055 1133359013 /nfs/dbraw/zinc/35/90/13/1133359013.db2.gz CUZQYIWGLKLATG-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN COc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)c(C)c1C ZINC001203723055 1133359017 /nfs/dbraw/zinc/35/90/17/1133359017.db2.gz CUZQYIWGLKLATG-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(O)c(O)c1 ZINC001203879959 1133378363 /nfs/dbraw/zinc/37/83/63/1133378363.db2.gz KWGJXACMQVVZFX-NSHDSACASA-N 0 3 291.778 3.944 20 10 CHCDHN CC[N@H+](Cc1ccc(C)s1)Cc1ccccc1[O-] ZINC001204033593 1133401662 /nfs/dbraw/zinc/40/16/62/1133401662.db2.gz JDGVJMUTCABVSN-UHFFFAOYSA-N 0 3 261.390 3.784 20 10 CHCDHN CC[N@@H+](Cc1ccc(C)s1)Cc1ccccc1[O-] ZINC001204033593 1133401665 /nfs/dbraw/zinc/40/16/65/1133401665.db2.gz JDGVJMUTCABVSN-UHFFFAOYSA-N 0 3 261.390 3.784 20 10 CHCDHN Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204273039 1133427269 /nfs/dbraw/zinc/42/72/69/1133427269.db2.gz JWYFCNSLAKCZAL-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204273039 1133427272 /nfs/dbraw/zinc/42/72/72/1133427272.db2.gz JWYFCNSLAKCZAL-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN CC[C@H](c1ccccc1)[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204281616 1133428406 /nfs/dbraw/zinc/42/84/06/1133428406.db2.gz XGFULBUOECYOGY-MRXNPFEDSA-N 0 3 271.360 3.681 20 10 CHCDHN CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204281616 1133428410 /nfs/dbraw/zinc/42/84/10/1133428410.db2.gz XGFULBUOECYOGY-MRXNPFEDSA-N 0 3 271.360 3.681 20 10 CHCDHN CC[N@H+](Cc1cn(C)c2ccccc12)Cc1ccccc1[O-] ZINC001204318826 1133436918 /nfs/dbraw/zinc/43/69/18/1133436918.db2.gz CPCANHJWFCIALH-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN CC[N@@H+](Cc1cn(C)c2ccccc12)Cc1ccccc1[O-] ZINC001204318826 1133436921 /nfs/dbraw/zinc/43/69/21/1133436921.db2.gz CPCANHJWFCIALH-UHFFFAOYSA-N 0 3 294.398 3.906 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c([O-])c1 ZINC001204960502 1133508439 /nfs/dbraw/zinc/50/84/39/1133508439.db2.gz BKWKRMORVLXZSM-INIZCTEOSA-N 0 3 297.398 3.602 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c([O-])c1 ZINC001204960502 1133508442 /nfs/dbraw/zinc/50/84/42/1133508442.db2.gz BKWKRMORVLXZSM-INIZCTEOSA-N 0 3 297.398 3.602 20 10 CHCDHN COc1cc(C)c(C[NH+]2CC(C3CCCCC3)C2)c([O-])c1 ZINC001206180192 1133668285 /nfs/dbraw/zinc/66/82/85/1133668285.db2.gz HFOJOXZJQUYQSM-UHFFFAOYSA-N 0 3 289.419 3.721 20 10 CHCDHN Oc1cccc2c1CN(Cc1cccc(C(F)F)c1)CC2 ZINC001207131871 1133770396 /nfs/dbraw/zinc/77/03/96/1133770396.db2.gz MTZCZNSNRMSEDT-UHFFFAOYSA-N 0 3 289.325 3.888 20 10 CHCDHN CC[N@H+](CCc1cccc(F)c1)Cc1ccccc1[O-] ZINC001208198532 1133905698 /nfs/dbraw/zinc/90/56/98/1133905698.db2.gz JXUMFPGUUYSPSA-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN CC[N@@H+](CCc1cccc(F)c1)Cc1ccccc1[O-] ZINC001208198532 1133905703 /nfs/dbraw/zinc/90/57/03/1133905703.db2.gz JXUMFPGUUYSPSA-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC(C)C)C2)c1[O-] ZINC000307778486 1134947388 /nfs/dbraw/zinc/94/73/88/1134947388.db2.gz RDQGNVFRJIZQDY-GFCCVEGCSA-N 0 3 297.826 3.922 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CC(C)C)C2)c1[O-] ZINC000307778486 1134947391 /nfs/dbraw/zinc/94/73/91/1134947391.db2.gz RDQGNVFRJIZQDY-GFCCVEGCSA-N 0 3 297.826 3.922 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCc2ccccc21 ZINC000404789707 1134949486 /nfs/dbraw/zinc/94/94/86/1134949486.db2.gz NOXKOGMAILICOW-CYBMUJFWSA-N 0 3 285.362 3.693 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCc2ccccc21 ZINC000404789707 1134949493 /nfs/dbraw/zinc/94/94/93/1134949493.db2.gz NOXKOGMAILICOW-CYBMUJFWSA-N 0 3 285.362 3.693 20 10 CHCDHN Cc1cc(F)ccc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000315550533 1135156711 /nfs/dbraw/zinc/15/67/11/1135156711.db2.gz QJCNYVQAWFCRIE-INIZCTEOSA-N 0 3 285.362 3.659 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccccc1[O-] ZINC000020123559 171004825 /nfs/dbraw/zinc/00/48/25/171004825.db2.gz ZJASMSCGSHPGGK-TZMCWYRMSA-N 0 3 256.349 3.589 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000020129851 171019173 /nfs/dbraw/zinc/01/91/73/171019173.db2.gz MYPSNNIXSKSHCD-SJKOYZFVSA-N 0 3 283.371 3.739 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(C)c2)c1 ZINC000020134176 171021755 /nfs/dbraw/zinc/02/17/55/171021755.db2.gz IFMVTRPDDOCXPS-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)CCCC(C)C)c1[O-] ZINC000020138721 171026173 /nfs/dbraw/zinc/02/61/73/171026173.db2.gz RSAMJIOZDYZYKN-ZDUSSCGKSA-N 0 3 265.397 3.705 20 10 CHCDHN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000020146068 171032151 /nfs/dbraw/zinc/03/21/51/171032151.db2.gz XQMNENCFWNKABT-AWEZNQCLSA-N 0 3 284.403 3.612 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc(F)c1 ZINC000020147845 171035131 /nfs/dbraw/zinc/03/51/31/171035131.db2.gz KFKFKPMWWUOILU-RYUDHWBXSA-N 0 3 259.324 3.943 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cccc(F)c2)c1 ZINC000020147928 171035394 /nfs/dbraw/zinc/03/53/94/171035394.db2.gz VAZVUEIAJBPOMY-VXGBXAGGSA-N 0 3 289.350 3.952 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000020147928 171035395 /nfs/dbraw/zinc/03/53/95/171035395.db2.gz VAZVUEIAJBPOMY-VXGBXAGGSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2)c([O-])c1 ZINC000020473295 171216736 /nfs/dbraw/zinc/21/67/36/171216736.db2.gz KXUUEIZCRUVQSA-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccccc1[O-] ZINC000038041699 174043534 /nfs/dbraw/zinc/04/35/34/174043534.db2.gz DTAZCMRKBWMRGF-DOTOQJQBSA-N 0 3 290.451 3.555 20 10 CHCDHN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000037199087 260074078 /nfs/dbraw/zinc/07/40/78/260074078.db2.gz PRVFYNJUHLYSEC-AWEZNQCLSA-N 0 3 284.403 3.612 20 10 CHCDHN COc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000078638556 260168371 /nfs/dbraw/zinc/16/83/71/260168371.db2.gz NLRNWEPITSOWEI-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN CC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(OC)cc1 ZINC000126986254 260360216 /nfs/dbraw/zinc/36/02/16/260360216.db2.gz KSQSOZXGNWPNLR-SFHVURJKSA-N 0 3 297.398 3.871 20 10 CHCDHN CC[C@@H](N[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000152369806 261063602 /nfs/dbraw/zinc/06/36/02/261063602.db2.gz CVCJYTOBDVULRH-WMLDXEAASA-N 0 3 283.419 3.950 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](OC)c1ccccc1)c1ccccc1[O-] ZINC000155259512 261099836 /nfs/dbraw/zinc/09/98/36/261099836.db2.gz XFVTUFBZVOBTMR-SJLPKXTDSA-N 0 3 285.387 3.821 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccccc1[O-] ZINC000155696638 261105833 /nfs/dbraw/zinc/10/58/33/261105833.db2.gz SMQOYOFOKPKQDN-HOTGVXAUSA-N 0 3 283.371 3.826 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccccc1[O-] ZINC000157008648 261137384 /nfs/dbraw/zinc/13/73/84/261137384.db2.gz AARBDKWHNSSHAO-INIZCTEOSA-N 0 3 289.350 3.781 20 10 CHCDHN CCC[C@@H](NCc1ccc(N(C)C)cc1)c1cccnc1 ZINC000184894674 262032680 /nfs/dbraw/zinc/03/26/80/262032680.db2.gz PGGYPGRCGOSHTE-GOSISDBHSA-N 0 3 283.419 3.779 20 10 CHCDHN Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185501267 262056834 /nfs/dbraw/zinc/05/68/34/262056834.db2.gz YVHMUEKIMIWALI-RYUDHWBXSA-N 0 3 288.391 3.587 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c([O-])c1 ZINC000185532611 262058634 /nfs/dbraw/zinc/05/86/34/262058634.db2.gz ADPXLEZRADDGSH-YJBOKZPZSA-N 0 3 299.414 3.865 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000185532143 262058677 /nfs/dbraw/zinc/05/86/77/262058677.db2.gz KIUFWTGEGCQBMI-MAUKXSAKSA-N 0 3 299.414 3.865 20 10 CHCDHN COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000186035476 262076548 /nfs/dbraw/zinc/07/65/48/262076548.db2.gz NHEBICJCAPTJRV-WBMJQRKESA-N 0 3 289.350 3.570 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000186129757 262081118 /nfs/dbraw/zinc/08/11/18/262081118.db2.gz YJIVNXFTHZRFDI-GJZGRUSLSA-N 0 3 289.419 3.843 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1[O-] ZINC000186319941 262088770 /nfs/dbraw/zinc/08/87/70/262088770.db2.gz AKYNZHLOOOEVAO-CLCXKQKWSA-N 0 3 298.430 3.734 20 10 CHCDHN COc1cccc(C[NH2+]C2(c3ccccc3)CCC2)c1[O-] ZINC000171129220 327751829 /nfs/dbraw/zinc/75/18/29/327751829.db2.gz TUSFMAKDZNBLOQ-UHFFFAOYSA-N 0 3 283.371 3.570 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000171129256 327752117 /nfs/dbraw/zinc/75/21/17/327752117.db2.gz GNQPVFAOQOGLQX-UHFFFAOYSA-N 0 3 253.345 3.561 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1ccccc1F ZINC000183534714 327820493 /nfs/dbraw/zinc/82/04/93/327820493.db2.gz XOEPOMDZRLNLRS-OLZOCXBDSA-N 0 3 289.350 3.649 20 10 CHCDHN Cc1cccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1[O-] ZINC000271866085 328198596 /nfs/dbraw/zinc/19/85/96/328198596.db2.gz WGHHWMWWDMFOHL-MRXNPFEDSA-N 0 3 289.419 3.672 20 10 CHCDHN COc1cccc(CNCc2ccc(C)c(Cl)c2)c1O ZINC000289561986 328255436 /nfs/dbraw/zinc/25/54/36/328255436.db2.gz YRTRIIKWWAUXNI-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN CCOc1cccc(C[NH2+]CC[C@H]2CC=CCC2)c1[O-] ZINC000527789695 326868290 /nfs/dbraw/zinc/86/82/90/326868290.db2.gz NJPQNAWJSMXTIY-AWEZNQCLSA-N 0 3 275.392 3.627 20 10 CHCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])n1 ZINC000180162941 329218283 /nfs/dbraw/zinc/21/82/83/329218283.db2.gz RKUFFXUZOCJKFJ-MRXNPFEDSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])n1 ZINC000180162941 329218285 /nfs/dbraw/zinc/21/82/85/329218285.db2.gz RKUFFXUZOCJKFJ-MRXNPFEDSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1ncccc1C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000527989352 330299086 /nfs/dbraw/zinc/29/90/86/330299086.db2.gz YBBAQZIGQAGBHX-YGRLFVJLSA-N 0 3 286.350 3.573 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1CC=CCC1)CC2 ZINC000527978095 330302265 /nfs/dbraw/zinc/30/22/65/330302265.db2.gz JEMBZTNHWWVMFH-ZFWWWQNUSA-N 0 3 257.377 3.716 20 10 CHCDHN CCN(CC)c1ccc(CNCc2ccncc2C)cc1 ZINC000229661166 333307294 /nfs/dbraw/zinc/30/72/94/333307294.db2.gz UUUBHJKDNUJCKY-UHFFFAOYSA-N 0 3 283.419 3.526 20 10 CHCDHN CCOCc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000037762243 520216802 /nfs/dbraw/zinc/21/68/02/520216802.db2.gz JYRPRXBMCYTLET-CQSZACIVSA-N 0 3 285.387 3.780 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2ccccc2)cc1 ZINC000269046795 520288332 /nfs/dbraw/zinc/28/83/32/520288332.db2.gz YOXNOSVVQSGVNY-BEFAXECRSA-N 0 3 298.430 3.527 20 10 CHCDHN CCOC1CC(CC[NH2+][C@@H](CC)c2ccc(C)cc2[O-])C1 ZINC000280138338 521646065 /nfs/dbraw/zinc/64/60/65/521646065.db2.gz POAJWGRVPSCGBT-DQPZFDDXSA-N 0 3 291.435 3.947 20 10 CHCDHN CCSCC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297909350 521716729 /nfs/dbraw/zinc/71/67/29/521716729.db2.gz WPELOYYUNPNNMW-AAEUAGOBSA-N 0 3 265.422 3.501 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280105878 522610498 /nfs/dbraw/zinc/61/04/98/522610498.db2.gz NIWWFYHUXOKBOL-WMZOPIPTSA-N 0 3 299.414 3.517 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(C)cc1[O-] ZINC000280235183 522645403 /nfs/dbraw/zinc/64/54/03/522645403.db2.gz VMMUWUDDIAZZME-AWEZNQCLSA-N 0 3 290.794 3.990 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CCOC)c1ccco1)c1ccccc1[O-] ZINC000274741730 522705733 /nfs/dbraw/zinc/70/57/33/522705733.db2.gz FLXBZCYUGZSUGU-GJZGRUSLSA-N 0 3 289.375 3.804 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(C)cc1[O-] ZINC000280274254 522720131 /nfs/dbraw/zinc/72/01/31/522720131.db2.gz YATCFJANFWAJCD-ZBFHGGJFSA-N 0 3 289.419 3.843 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000279999756 522818523 /nfs/dbraw/zinc/81/85/23/522818523.db2.gz FWHCILWAJXAJMX-UKRRQHHQSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cnc(C)s1)c1ccc(C)cc1[O-] ZINC000280191538 522888203 /nfs/dbraw/zinc/88/82/03/522888203.db2.gz SGDSEXFMYXZNMG-CQSZACIVSA-N 0 3 276.405 3.706 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000280075626 522951956 /nfs/dbraw/zinc/95/19/56/522951956.db2.gz LJMHBNUNYGGRNA-DZGCQCFKSA-N 0 3 277.408 3.699 20 10 CHCDHN COCc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000121426738 523055867 /nfs/dbraw/zinc/05/58/67/523055867.db2.gz IQBUNQYSHXSEKD-HNNXBMFYSA-N 0 3 298.430 3.750 20 10 CHCDHN COCCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263733653 523174661 /nfs/dbraw/zinc/17/46/61/523174661.db2.gz YNGJTOHSZDGDCR-UHFFFAOYSA-N 0 3 285.387 3.575 20 10 CHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC000281106056 523282906 /nfs/dbraw/zinc/28/29/06/523282906.db2.gz AVDUXTWIUZEHEU-HNNXBMFYSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC000281106056 523282915 /nfs/dbraw/zinc/28/29/15/523282915.db2.gz AVDUXTWIUZEHEU-HNNXBMFYSA-N 0 3 285.387 3.546 20 10 CHCDHN C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297568305 524234967 /nfs/dbraw/zinc/23/49/67/524234967.db2.gz GLCZFRJFGSRMHU-CXAGYDPISA-N 0 3 297.398 3.696 20 10 CHCDHN C[C@H]1COCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000277252217 524732726 /nfs/dbraw/zinc/73/27/26/524732726.db2.gz AHOJEAGKOMCLCQ-KBXCAEBGSA-N 0 3 297.398 3.574 20 10 CHCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000292705914 524752115 /nfs/dbraw/zinc/75/21/15/524752115.db2.gz CUZQIPKFRPVMEH-LBPRGKRZSA-N 0 3 299.361 3.706 20 10 CHCDHN C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036993105 524756258 /nfs/dbraw/zinc/75/62/58/524756258.db2.gz MTBDAUBWCHPXFY-VXGBXAGGSA-N 0 3 261.390 3.736 20 10 CHCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCOC1 ZINC000266149690 525428996 /nfs/dbraw/zinc/42/89/96/525428996.db2.gz JZRHMFVKZXNGGZ-YOEHRIQHSA-N 0 3 297.398 3.574 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(F)cc2F)c(O)c1 ZINC000051016670 525926996 /nfs/dbraw/zinc/92/69/96/525926996.db2.gz HOCBPLKZVUMGMJ-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141686 526374275 /nfs/dbraw/zinc/37/42/75/526374275.db2.gz SVSPKHMHTROQBZ-NEPJUHHUSA-N 0 3 273.298 3.603 20 10 CHCDHN Cc1nc(C(C)C)ccc1CN(C)Cc1ccccc1O ZINC000292819642 526667422 /nfs/dbraw/zinc/66/74/22/526667422.db2.gz NWYXIHCDKWHEMJ-UHFFFAOYSA-N 0 3 284.403 3.851 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccsc1 ZINC000310771715 1119949572 /nfs/dbraw/zinc/94/95/72/1119949572.db2.gz CVJHYRVYXMIEMG-GXFFZTMASA-N 0 3 259.374 3.792 20 10 CHCDHN Cc1occc1CN(C)Cc1cc(C)c(C)cc1O ZINC000092438580 1120478667 /nfs/dbraw/zinc/47/86/67/1120478667.db2.gz JJNKBLBXUGWPSP-UHFFFAOYSA-N 0 3 259.349 3.542 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000877498830 1125036594 /nfs/dbraw/zinc/03/65/94/1125036594.db2.gz VHFWGBCYLJHWDH-LBPRGKRZSA-N 0 3 269.335 3.616 20 10 CHCDHN CS[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C(C)(C)C ZINC000834759896 1131703111 /nfs/dbraw/zinc/70/31/11/1131703111.db2.gz GPQOGVZQIJIAGS-OCCSQVGLSA-N 0 3 279.449 3.747 20 10 CHCDHN CC[C@H](C)OCC[C@H](C)[N@H+](CC)Cc1ccccc1[O-] ZINC001172356435 1132185569 /nfs/dbraw/zinc/18/55/69/1132185569.db2.gz YKXOLRLMJKCTNS-GJZGRUSLSA-N 0 3 279.424 3.808 20 10 CHCDHN CC[C@H](C)OCC[C@H](C)[N@@H+](CC)Cc1ccccc1[O-] ZINC001172356435 1132185575 /nfs/dbraw/zinc/18/55/75/1132185575.db2.gz YKXOLRLMJKCTNS-GJZGRUSLSA-N 0 3 279.424 3.808 20 10 CHCDHN CC(C)(C)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000134230898 1125546167 /nfs/dbraw/zinc/54/61/67/1125546167.db2.gz OOQKZGUOQJBASA-UHFFFAOYSA-N 0 3 269.388 3.980 20 10 CHCDHN C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000886774538 1125715619 /nfs/dbraw/zinc/71/56/19/1125715619.db2.gz PNYQOIYHCMFKNK-RHSMWYFYSA-N 0 3 289.419 3.782 20 10 CHCDHN CC[C@@H](NCc1cn2c(cccc2C)n1)c1ccccc1O ZINC000183331257 1126884823 /nfs/dbraw/zinc/88/48/23/1126884823.db2.gz HSYVKWRECFSECR-MRXNPFEDSA-N 0 3 295.386 3.589 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000183504709 1126888094 /nfs/dbraw/zinc/88/80/94/1126888094.db2.gz NJDYZEUBTUQLHF-KBPBESRZSA-N 0 3 283.371 3.609 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccccc1[O-] ZINC000183599225 1126889770 /nfs/dbraw/zinc/88/97/70/1126889770.db2.gz LBRLDGFOJGJWAR-IAQYHMDHSA-N 0 3 287.334 3.706 20 10 CHCDHN C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccccc1O ZINC000183599225 1126889774 /nfs/dbraw/zinc/88/97/74/1126889774.db2.gz LBRLDGFOJGJWAR-IAQYHMDHSA-N 0 3 287.334 3.706 20 10 CHCDHN CN(C)c1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000191656025 1126953540 /nfs/dbraw/zinc/95/35/40/1126953540.db2.gz MMXDJFMMKXNMAB-GOSISDBHSA-N 0 3 296.414 3.625 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000245585646 1129213035 /nfs/dbraw/zinc/21/30/35/1129213035.db2.gz DKAZEJLOWUVRGO-CXAGYDPISA-N 0 3 253.345 3.585 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000245585646 1129213037 /nfs/dbraw/zinc/21/30/37/1129213037.db2.gz DKAZEJLOWUVRGO-CXAGYDPISA-N 0 3 253.345 3.585 20 10 CHCDHN CC[C@H](N[C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268849682 1127026047 /nfs/dbraw/zinc/02/60/47/1127026047.db2.gz BHVFMBYLWQAFMS-RBUKOAKNSA-N 0 3 298.430 3.527 20 10 CHCDHN Cc1ccncc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269582157 1127042383 /nfs/dbraw/zinc/04/23/83/1127042383.db2.gz QBFKHJKMRCKDSF-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN C[C@H](CO)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000270248331 1127052201 /nfs/dbraw/zinc/05/22/01/1127052201.db2.gz FNIDJCNJBQKWRW-HNNXBMFYSA-N 0 3 299.414 3.557 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000271198805 1127071882 /nfs/dbraw/zinc/07/18/82/1127071882.db2.gz AZLQSNPHHLLBCD-RDTXWAMCSA-N 0 3 297.398 3.716 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284016706 1127170212 /nfs/dbraw/zinc/17/02/12/1127170212.db2.gz HXVXPPMESBQCPZ-IEBWSBKVSA-N 0 3 297.398 3.689 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284016706 1127170214 /nfs/dbraw/zinc/17/02/14/1127170214.db2.gz HXVXPPMESBQCPZ-IEBWSBKVSA-N 0 3 297.398 3.689 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1F ZINC000166044100 1127258632 /nfs/dbraw/zinc/25/86/32/1127258632.db2.gz OSLNBHVXFWTSAH-HNNXBMFYSA-N 0 3 259.324 3.772 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1[O-] ZINC001238058763 1131165679 /nfs/dbraw/zinc/16/56/79/1131165679.db2.gz VKNHJNAQXLEKER-DGCLKSJQSA-N 0 3 265.372 3.708 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c1[O-] ZINC001238058763 1131165684 /nfs/dbraw/zinc/16/56/84/1131165684.db2.gz VKNHJNAQXLEKER-DGCLKSJQSA-N 0 3 265.372 3.708 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(C)cc1[O-] ZINC000286973795 1127277815 /nfs/dbraw/zinc/27/78/15/1127277815.db2.gz IQLGVXJTEMWDSR-ZFWWWQNUSA-N 0 3 279.449 3.885 20 10 CHCDHN CC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226611029 1127412300 /nfs/dbraw/zinc/41/23/00/1127412300.db2.gz WBYQVJGSCGGRNO-BXUZGUMPSA-N 0 3 251.345 3.590 20 10 CHCDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cncc(F)c1 ZINC000359000562 1127443852 /nfs/dbraw/zinc/44/38/52/1127443852.db2.gz IBNWANZCKLEIMC-ZDUSSCGKSA-N 0 3 297.377 3.872 20 10 CHCDHN COCC1(CC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCC1 ZINC000293731936 1127516682 /nfs/dbraw/zinc/51/66/82/1127516682.db2.gz OLYZJPGLFIIRCI-OAHLLOKOSA-N 0 3 291.435 3.866 20 10 CHCDHN CCOCc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295814288 1127653708 /nfs/dbraw/zinc/65/37/08/1127653708.db2.gz CWQZTHJKNISWRV-KRWDZBQOSA-N 0 3 297.398 3.706 20 10 CHCDHN COCCC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCCC1 ZINC000296854397 1127684160 /nfs/dbraw/zinc/68/41/60/1127684160.db2.gz NIBPONKBOZWBER-OAHLLOKOSA-N 0 3 289.419 3.566 20 10 CHCDHN CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000296800245 1127683585 /nfs/dbraw/zinc/68/35/85/1127683585.db2.gz LMSXLKQUJIULNX-OAGGEKHMSA-N 0 3 289.419 3.563 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccccc1[O-] ZINC000229578851 1127696532 /nfs/dbraw/zinc/69/65/32/1127696532.db2.gz JIYZDTFYWZJIDA-ONGXEEELSA-N 0 3 261.287 3.774 20 10 CHCDHN Oc1cc(Cl)c(F)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001237937753 1129221663 /nfs/dbraw/zinc/22/16/63/1129221663.db2.gz UPTPEMIFCDXMNP-QMMMGPOBSA-N 0 3 297.679 3.569 20 10 CHCDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C)cc1O)CO2 ZINC000373263967 1127831047 /nfs/dbraw/zinc/83/10/47/1127831047.db2.gz ALZQDANLCCULLR-CZUORRHYSA-N 0 3 283.371 3.793 20 10 CHCDHN C[C@@H](N[C@H]1COc2c1cccc2Cl)c1ccccc1O ZINC000374681220 1127909748 /nfs/dbraw/zinc/90/97/48/1127909748.db2.gz ULDPLWJWYYQUBZ-YGRLFVJLSA-N 0 3 289.762 3.830 20 10 CHCDHN C[C@H](N[C@H]1COc2c1cccc2Cl)c1ccccc1O ZINC000374681216 1127910065 /nfs/dbraw/zinc/91/00/65/1127910065.db2.gz ULDPLWJWYYQUBZ-HZMBPMFUSA-N 0 3 289.762 3.830 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCCC1(F)F)CC2 ZINC000297211813 1129224962 /nfs/dbraw/zinc/22/49/62/1129224962.db2.gz GRNLYSRGFRLSDI-CHWSQXEVSA-N 0 3 281.346 3.795 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(C)cc1[O-] ZINC000926951446 1128205674 /nfs/dbraw/zinc/20/56/74/1128205674.db2.gz RDDAHRSGSAESTM-CYZMBNFOSA-N 0 3 287.325 3.940 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H](C)C2)c([O-])c1 ZINC000927032729 1128209772 /nfs/dbraw/zinc/20/97/72/1128209772.db2.gz OPYVQMQTQJJAPC-AGIUHOORSA-N 0 3 265.422 3.635 20 10 CHCDHN COc1cccc([C@H](C)N[C@@H]2CCCc3cccnc32)c1O ZINC000927063000 1128213022 /nfs/dbraw/zinc/21/30/22/1128213022.db2.gz RJIQJWBQMUHIDR-SWLSCSKDSA-N 0 3 298.386 3.524 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1cc(F)ccc1[O-] ZINC000927099675 1128217343 /nfs/dbraw/zinc/21/73/43/1128217343.db2.gz DDOQSRDEQDSCCL-NEPJUHHUSA-N 0 3 295.398 3.776 20 10 CHCDHN CCC[N@H+](CCCc1cccnc1)Cc1ccccc1[O-] ZINC000929752886 1128285231 /nfs/dbraw/zinc/28/52/31/1128285231.db2.gz HBFGFNXHJLDQSR-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN CCC[N@@H+](CCCc1cccnc1)Cc1ccccc1[O-] ZINC000929752886 1128285232 /nfs/dbraw/zinc/28/52/32/1128285232.db2.gz HBFGFNXHJLDQSR-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN CCCC[N@H+](Cc1[nH]c(C)nc1C)Cc1ccccc1[O-] ZINC000930350081 1128315658 /nfs/dbraw/zinc/31/56/58/1128315658.db2.gz FJMCQFZVFSKEJV-UHFFFAOYSA-N 0 3 287.407 3.534 20 10 CHCDHN CCCC[N@@H+](Cc1[nH]c(C)nc1C)Cc1ccccc1[O-] ZINC000930350081 1128315663 /nfs/dbraw/zinc/31/56/63/1128315663.db2.gz FJMCQFZVFSKEJV-UHFFFAOYSA-N 0 3 287.407 3.534 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1F ZINC000777970835 1128351406 /nfs/dbraw/zinc/35/14/06/1128351406.db2.gz WGQRSYNCWHOPDA-WBMJQRKESA-N 0 3 273.351 3.725 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1F ZINC000777970835 1128351410 /nfs/dbraw/zinc/35/14/10/1128351410.db2.gz WGQRSYNCWHOPDA-WBMJQRKESA-N 0 3 273.351 3.725 20 10 CHCDHN Cc1cccc(CCC[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000778220194 1128451217 /nfs/dbraw/zinc/45/12/17/1128451217.db2.gz RTVPCNRBACPSQV-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN Cc1cccc(CCC[N@H+](C)Cc2ccccc2[O-])c1 ZINC000778220194 1128451219 /nfs/dbraw/zinc/45/12/19/1128451219.db2.gz RTVPCNRBACPSQV-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccccc1OC)c1ccccc1[O-] ZINC000154878005 1128586650 /nfs/dbraw/zinc/58/66/50/1128586650.db2.gz KAAQRVPQTXCHOG-INIZCTEOSA-N 0 3 285.387 3.684 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1ccccc1[O-] ZINC000155971836 1128621412 /nfs/dbraw/zinc/62/14/12/1128621412.db2.gz QEDWMQIUGNLSMH-WBVHZDCISA-N 0 3 279.424 3.620 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000778994783 1128674984 /nfs/dbraw/zinc/67/49/84/1128674984.db2.gz LCTIYQQKNCGNQM-QGZVFWFLSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000778994783 1128674986 /nfs/dbraw/zinc/67/49/86/1128674986.db2.gz LCTIYQQKNCGNQM-QGZVFWFLSA-N 0 3 285.362 3.738 20 10 CHCDHN Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779005611 1128676483 /nfs/dbraw/zinc/67/64/83/1128676483.db2.gz MASWOEHAOJSAJP-CQSZACIVSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779005611 1128676486 /nfs/dbraw/zinc/67/64/86/1128676486.db2.gz MASWOEHAOJSAJP-CQSZACIVSA-N 0 3 285.362 3.829 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000779021056 1128684615 /nfs/dbraw/zinc/68/46/15/1128684615.db2.gz QQOZUANLJKSUFP-KRWDZBQOSA-N 0 3 275.367 3.854 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000779021056 1128684616 /nfs/dbraw/zinc/68/46/16/1128684616.db2.gz QQOZUANLJKSUFP-KRWDZBQOSA-N 0 3 275.367 3.854 20 10 CHCDHN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779022680 1128685135 /nfs/dbraw/zinc/68/51/35/1128685135.db2.gz FTTMQSNWRPCOEN-SUMWQHHRSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779022680 1128685137 /nfs/dbraw/zinc/68/51/37/1128685137.db2.gz FTTMQSNWRPCOEN-SUMWQHHRSA-N 0 3 285.362 3.909 20 10 CHCDHN C[N@H+](Cc1cc2ccccc2o1)Cc1cc(F)ccc1[O-] ZINC000779023405 1128686031 /nfs/dbraw/zinc/68/60/31/1128686031.db2.gz RGVVAXFULNMKOX-UHFFFAOYSA-N 0 3 285.318 3.910 20 10 CHCDHN C[N@@H+](Cc1cc2ccccc2o1)Cc1cc(F)ccc1[O-] ZINC000779023405 1128686033 /nfs/dbraw/zinc/68/60/33/1128686033.db2.gz RGVVAXFULNMKOX-UHFFFAOYSA-N 0 3 285.318 3.910 20 10 CHCDHN Cc1cc(C)c(C[NH2+]Cc2ccccc2[O-])cc1C ZINC000134237189 1128706733 /nfs/dbraw/zinc/70/67/33/1128706733.db2.gz JQTSGJYYIMNMGB-UHFFFAOYSA-N 0 3 255.361 3.607 20 10 CHCDHN C[C@H]([NH2+]CCc1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000185067886 1117759742 /nfs/dbraw/zinc/75/97/42/1117759742.db2.gz XIWXFXQVQFECKJ-JTQLQIEISA-N 0 3 295.304 3.703 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCOc2cccc(F)c2)c([O-])c1 ZINC000185106310 1117764637 /nfs/dbraw/zinc/76/46/37/1117764637.db2.gz CRSSOUJLAZGTFP-CYBMUJFWSA-N 0 3 289.350 3.569 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)c(O)c1 ZINC000185378051 1117813807 /nfs/dbraw/zinc/81/38/07/1117813807.db2.gz HIYAAYCXIWOBRX-GFCCVEGCSA-N 0 3 284.334 3.562 20 10 CHCDHN CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185494653 1117829933 /nfs/dbraw/zinc/82/99/33/1117829933.db2.gz ZYCGQRNFRUQWIF-UONOGXRCSA-N 0 3 265.397 3.556 20 10 CHCDHN CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000799728925 1117845268 /nfs/dbraw/zinc/84/52/68/1117845268.db2.gz GOWSUFYEIJDJSZ-DNVSUFBTSA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])Oc1ccccc1 ZINC000186041242 1117974298 /nfs/dbraw/zinc/97/42/98/1117974298.db2.gz SUEZFCDEPYAQKV-STQMWFEESA-N 0 3 289.350 3.649 20 10 CHCDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])Oc1ccccc1 ZINC000186041297 1117974736 /nfs/dbraw/zinc/97/47/36/1117974736.db2.gz SUEZFCDEPYAQKV-CHWSQXEVSA-N 0 3 289.350 3.649 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cccs1)c1ccccc1[O-] ZINC000019949194 1118034698 /nfs/dbraw/zinc/03/46/98/1118034698.db2.gz NZRYMEWNMPCMAC-CQSZACIVSA-N 0 3 261.390 3.737 20 10 CHCDHN COc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000037771112 1118037856 /nfs/dbraw/zinc/03/78/56/1118037856.db2.gz OAOKAGQRUFATSS-QWHCGFSZSA-N 0 3 271.360 3.813 20 10 CHCDHN COCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179646616 1128752335 /nfs/dbraw/zinc/75/23/35/1128752335.db2.gz DSALDWSMZQOSCQ-INIZCTEOSA-N 0 3 299.414 3.992 20 10 CHCDHN COCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179646616 1128752339 /nfs/dbraw/zinc/75/23/39/1128752339.db2.gz DSALDWSMZQOSCQ-INIZCTEOSA-N 0 3 299.414 3.992 20 10 CHCDHN CCOc1ccc(O)c(CN(C)Cc2ccc(F)cc2)c1 ZINC000179646955 1128752721 /nfs/dbraw/zinc/75/27/21/1128752721.db2.gz SOIPVGVGDGZPCJ-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN COc1cnccc1[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000188782292 1128765372 /nfs/dbraw/zinc/76/53/72/1128765372.db2.gz XYULIXUVXMSLIV-OLZOCXBDSA-N 0 3 286.375 3.516 20 10 CHCDHN C[C@H]([NH2+]CCCOc1ccc(F)cc1)c1ccccc1[O-] ZINC000179890292 1128764353 /nfs/dbraw/zinc/76/43/53/1128764353.db2.gz MMAFNWDIMPNALM-ZDUSSCGKSA-N 0 3 289.350 3.651 20 10 CHCDHN c1c2ccccc2[nH]c1CNCc1ccc2c(c1)CCCO2 ZINC000921624962 1118236427 /nfs/dbraw/zinc/23/64/27/1118236427.db2.gz XYRKQBZMCZOKEL-UHFFFAOYSA-N 0 3 292.382 3.783 20 10 CHCDHN C[C@H]([NH2+]CCCOCCc1ccccc1)c1ccccc1[O-] ZINC000179878927 1128764950 /nfs/dbraw/zinc/76/49/50/1128764950.db2.gz BTSGJSRAUIEXND-INIZCTEOSA-N 0 3 299.414 3.692 20 10 CHCDHN Cc1ccc(C)c(CN2CCc3c(F)cccc3C2)c1O ZINC001140184399 1118254962 /nfs/dbraw/zinc/25/49/62/1118254962.db2.gz RUMDZLUXBIQXHA-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)c1[O-] ZINC000076274241 1118284554 /nfs/dbraw/zinc/28/45/54/1118284554.db2.gz FEHLZEMNIAOXHD-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1c(C)noc1C ZINC000186187633 1118291461 /nfs/dbraw/zinc/29/14/61/1118291461.db2.gz NTLVJJDHVCFSHH-YMTOWFKASA-N 0 3 292.354 3.938 20 10 CHCDHN CCC(CC)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N(C)C ZINC000083551805 1118356598 /nfs/dbraw/zinc/35/65/98/1118356598.db2.gz CXBKKVDQXSKUEC-OAHLLOKOSA-N 0 3 298.858 3.502 20 10 CHCDHN C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccccc1[O-] ZINC000693335951 1118545100 /nfs/dbraw/zinc/54/51/00/1118545100.db2.gz REZYZKCLZQGZSX-NSHDSACASA-N 0 3 269.335 3.868 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000092326652 1118582975 /nfs/dbraw/zinc/58/29/75/1118582975.db2.gz CRDKNGBUGSOJKP-WDEREUQCSA-N 0 3 274.364 3.717 20 10 CHCDHN C[C@H]([NH2+]CCCC(C)(F)F)c1cc(F)ccc1[O-] ZINC000297383259 1118622058 /nfs/dbraw/zinc/62/20/58/1118622058.db2.gz RFGZXEUJCWKMHT-VIFPVBQESA-N 0 3 261.287 3.617 20 10 CHCDHN Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180577132 1128799914 /nfs/dbraw/zinc/79/99/14/1128799914.db2.gz NRKBVNNLYKVOMB-UHFFFAOYSA-N 0 3 298.361 3.653 20 10 CHCDHN C[C@H](c1cccnc1)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835048543 1118823453 /nfs/dbraw/zinc/82/34/53/1118823453.db2.gz UJMVUKKRJVRYRS-FYCOFBDGSA-N 0 3 295.430 3.854 20 10 CHCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1 ZINC000158493846 1119066044 /nfs/dbraw/zinc/06/60/44/1119066044.db2.gz QQMHXKKNJFJJEG-GJZGRUSLSA-N 0 3 283.419 3.950 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(F)cc2F)c1 ZINC000051016751 1119361055 /nfs/dbraw/zinc/36/10/55/1119361055.db2.gz OHGQKBJDZMBOBO-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000708455630 1119468554 /nfs/dbraw/zinc/46/85/54/1119468554.db2.gz XDYLXSSLERIJFR-CYBMUJFWSA-N 0 3 265.372 3.789 20 10 CHCDHN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000708455630 1119468555 /nfs/dbraw/zinc/46/85/55/1119468555.db2.gz XDYLXSSLERIJFR-CYBMUJFWSA-N 0 3 265.372 3.789 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000695125318 1120110766 /nfs/dbraw/zinc/11/07/66/1120110766.db2.gz ICGFJGDPFLDWGR-NEPJUHHUSA-N 0 3 269.335 3.929 20 10 CHCDHN Cc1cccc(CN(C)Cc2ccc(F)c(F)c2)c1O ZINC000179680776 1120252356 /nfs/dbraw/zinc/25/23/56/1120252356.db2.gz XCPSJNLQRAWHAQ-UHFFFAOYSA-N 0 3 277.314 3.611 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000180162746 1120267117 /nfs/dbraw/zinc/26/71/17/1120267117.db2.gz AYWCNQIZAUQART-HNNXBMFYSA-N 0 3 285.362 3.596 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000180162746 1120267120 /nfs/dbraw/zinc/26/71/20/1120267120.db2.gz AYWCNQIZAUQART-HNNXBMFYSA-N 0 3 285.362 3.596 20 10 CHCDHN CC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309409030 1120294990 /nfs/dbraw/zinc/29/49/90/1120294990.db2.gz BKIJVLIYXKGCHA-NXEZZACHSA-N 0 3 286.213 3.912 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC3CCC2CC3)c1[O-] ZINC000312615045 1120493837 /nfs/dbraw/zinc/49/38/37/1120493837.db2.gz AOYRAQRPJADNJO-MGULZYLOSA-N 0 3 295.810 3.723 20 10 CHCDHN Cc1cccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000312650571 1120522533 /nfs/dbraw/zinc/52/25/33/1120522533.db2.gz FLFWIAUCIUJIFI-INIZCTEOSA-N 0 3 267.372 3.520 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCC2CC2)c1[O-] ZINC000398082221 1120565631 /nfs/dbraw/zinc/56/56/31/1120565631.db2.gz RVLJITQXOMOMKN-JTQLQIEISA-N 0 3 283.799 3.723 20 10 CHCDHN C[C@@H]1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000781927307 1120572673 /nfs/dbraw/zinc/57/26/73/1120572673.db2.gz DJJVUXIMGUEQBO-WBMJQRKESA-N 0 3 263.356 3.543 20 10 CHCDHN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000781927307 1120572676 /nfs/dbraw/zinc/57/26/76/1120572676.db2.gz DJJVUXIMGUEQBO-WBMJQRKESA-N 0 3 263.356 3.543 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000186579523 1120598610 /nfs/dbraw/zinc/59/86/10/1120598610.db2.gz NCKILWYJWLSNHJ-MWLCHTKSSA-N 0 3 294.395 3.751 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168737647 1120633060 /nfs/dbraw/zinc/63/30/60/1120633060.db2.gz BQTATGUSJNYJBY-AWEZNQCLSA-N 0 3 299.801 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@H+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168737647 1120633063 /nfs/dbraw/zinc/63/30/63/1120633063.db2.gz BQTATGUSJNYJBY-AWEZNQCLSA-N 0 3 299.801 3.571 20 10 CHCDHN CCOc1cccc(C[N@H+](C(C)C)C2CCC2)c1[O-] ZINC000093608321 1120830755 /nfs/dbraw/zinc/83/07/55/1120830755.db2.gz RMVIFSPNKPKZRU-UHFFFAOYSA-N 0 3 263.381 3.554 20 10 CHCDHN CCOc1cccc(C[N@@H+](C(C)C)C2CCC2)c1[O-] ZINC000093608321 1120830758 /nfs/dbraw/zinc/83/07/58/1120830758.db2.gz RMVIFSPNKPKZRU-UHFFFAOYSA-N 0 3 263.381 3.554 20 10 CHCDHN COc1ccccc1CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000184861492 1120906734 /nfs/dbraw/zinc/90/67/34/1120906734.db2.gz CJFUPOMGRMEOOS-CQSZACIVSA-N 0 3 285.387 3.603 20 10 CHCDHN CCCC[N@H+](Cc1ccccn1)Cc1ccccc1[O-] ZINC000282513005 1121055790 /nfs/dbraw/zinc/05/57/90/1121055790.db2.gz SGRBGQPQBLRPIU-UHFFFAOYSA-N 0 3 270.376 3.590 20 10 CHCDHN CCCC[N@@H+](Cc1ccccn1)Cc1ccccc1[O-] ZINC000282513005 1121055799 /nfs/dbraw/zinc/05/57/99/1121055799.db2.gz SGRBGQPQBLRPIU-UHFFFAOYSA-N 0 3 270.376 3.590 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(COC)c1)c1ccccc1[O-] ZINC000038010505 1121095234 /nfs/dbraw/zinc/09/52/34/1121095234.db2.gz RLHXELWMTKSPEU-KRWDZBQOSA-N 0 3 285.387 3.780 20 10 CHCDHN C[C@@H](NCc1cncc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000702965142 1121223543 /nfs/dbraw/zinc/22/35/43/1121223543.db2.gz CLKITALHUPZSOI-GFCCVEGCSA-N 0 3 289.810 3.652 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1cccc(F)c1OC ZINC001143537089 1121425931 /nfs/dbraw/zinc/42/59/31/1121425931.db2.gz OONXKJHREOOETE-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(C2CCCC2)CC1 ZINC000708798436 1121466427 /nfs/dbraw/zinc/46/64/27/1121466427.db2.gz BCEPEYLLPWWLEE-UHFFFAOYSA-N 0 3 259.393 3.794 20 10 CHCDHN CCc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001204178474 1121693946 /nfs/dbraw/zinc/69/39/46/1121693946.db2.gz UJXNXUUAEHLOKF-UHFFFAOYSA-N 0 3 297.398 3.609 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](OC)[C@H](C)CC ZINC001180194735 1121964719 /nfs/dbraw/zinc/96/47/19/1121964719.db2.gz MAEQHOWKZHSHKO-RHSMWYFYSA-N 0 3 279.424 3.665 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](OC)[C@H](C)CC ZINC001180194735 1121964729 /nfs/dbraw/zinc/96/47/29/1121964729.db2.gz MAEQHOWKZHSHKO-RHSMWYFYSA-N 0 3 279.424 3.665 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1NC ZINC001180195079 1121965603 /nfs/dbraw/zinc/96/56/03/1121965603.db2.gz QFYICYDTDXUIHD-UHFFFAOYSA-N 0 3 284.403 3.846 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1NC ZINC001180195079 1121965607 /nfs/dbraw/zinc/96/56/07/1121965607.db2.gz QFYICYDTDXUIHD-UHFFFAOYSA-N 0 3 284.403 3.846 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC001180271335 1121971320 /nfs/dbraw/zinc/97/13/20/1121971320.db2.gz ISFPEDDZHKSMQO-KCXAZCMYSA-N 0 3 277.383 3.932 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC001180271335 1121971324 /nfs/dbraw/zinc/97/13/24/1121971324.db2.gz ISFPEDDZHKSMQO-KCXAZCMYSA-N 0 3 277.383 3.932 20 10 CHCDHN CC[C@@H]1CCCCN1Cc1cc(F)c(N(C)C)cc1F ZINC001180372567 1121984878 /nfs/dbraw/zinc/98/48/78/1121984878.db2.gz VCGBPWKIDGIYSU-CYBMUJFWSA-N 0 3 282.378 3.795 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)CC2CCCCC2)c([O-])c1 ZINC001180539850 1121998151 /nfs/dbraw/zinc/99/81/51/1121998151.db2.gz BRDOCXNGUBLPGX-UHFFFAOYSA-N 0 3 277.408 3.721 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)CC2CCCCC2)c([O-])c1 ZINC001180539850 1121998157 /nfs/dbraw/zinc/99/81/57/1121998157.db2.gz BRDOCXNGUBLPGX-UHFFFAOYSA-N 0 3 277.408 3.721 20 10 CHCDHN c1ccc2c(c1)NCCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000774159969 1122135596 /nfs/dbraw/zinc/13/55/96/1122135596.db2.gz AABORFWHAZSLPV-GOSISDBHSA-N 0 3 294.398 3.658 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000192749822 1129033770 /nfs/dbraw/zinc/03/37/70/1129033770.db2.gz AVIIXEVAVDUYQA-STQMWFEESA-N 0 3 299.370 3.841 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCCc2occc21 ZINC000774193626 1122138270 /nfs/dbraw/zinc/13/82/70/1122138270.db2.gz UQUWCKTZRZPIOW-KRWDZBQOSA-N 0 3 284.403 3.821 20 10 CHCDHN CCSCCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000271683165 1122171775 /nfs/dbraw/zinc/17/17/75/1122171775.db2.gz IVMKRIULWDVSQI-CYBMUJFWSA-N 0 3 253.411 3.576 20 10 CHCDHN CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CCO1 ZINC000272895338 1122215428 /nfs/dbraw/zinc/21/54/28/1122215428.db2.gz UCOKMZLEGVZWJF-QLFBSQMISA-N 0 3 277.408 3.637 20 10 CHCDHN CC1(C)CCC(C[N@@H+]2Cc3cccc([O-])c3C2)CC1 ZINC001183453772 1122223564 /nfs/dbraw/zinc/22/35/64/1122223564.db2.gz HEZRSNXTWOSORY-UHFFFAOYSA-N 0 3 259.393 3.924 20 10 CHCDHN CC1(C)CCC(C[N@H+]2Cc3cccc([O-])c3C2)CC1 ZINC001183453772 1122223568 /nfs/dbraw/zinc/22/35/68/1122223568.db2.gz HEZRSNXTWOSORY-UHFFFAOYSA-N 0 3 259.393 3.924 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cccc3c2OCO3)c(O)c1C ZINC000273302338 1122228255 /nfs/dbraw/zinc/22/82/55/1122228255.db2.gz BRRFMTKDPFBGTO-ZDUSSCGKSA-N 0 3 299.370 3.589 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000273386365 1122230222 /nfs/dbraw/zinc/23/02/22/1122230222.db2.gz CTMJLAVDHLXHEI-KKUMJFAQSA-N 0 3 277.408 3.556 20 10 CHCDHN COCC[C@H](N[C@@H](C)c1cc(C)ccc1O)c1ccco1 ZINC000273413969 1122231176 /nfs/dbraw/zinc/23/11/76/1122231176.db2.gz IIGZGODMWFLOON-ZFWWWQNUSA-N 0 3 289.375 3.722 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000273391105 1122231730 /nfs/dbraw/zinc/23/17/30/1122231730.db2.gz KSBGYUIXGVZCTG-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])CCO1 ZINC000273533197 1122237331 /nfs/dbraw/zinc/23/73/31/1122237331.db2.gz WTPRZZZGXVITOS-VHDGCEQUSA-N 0 3 295.398 3.776 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000273530924 1122237847 /nfs/dbraw/zinc/23/78/47/1122237847.db2.gz WHUCKDVBJGVNDK-DETPVDSQSA-N 0 3 295.398 3.776 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(F)ccc1[O-] ZINC000273562935 1122239120 /nfs/dbraw/zinc/23/91/20/1122239120.db2.gz IPYMCRLKEHMSCA-BMIGLBTASA-N 0 3 287.334 3.575 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000192907538 1129046667 /nfs/dbraw/zinc/04/66/67/1129046667.db2.gz UIRNPGWWSRBRFJ-QAPCUYQASA-N 0 3 298.430 3.654 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1[O-] ZINC000775134972 1122437389 /nfs/dbraw/zinc/43/73/89/1122437389.db2.gz AOTAINRWJVEADA-ZBEGNZNMSA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])Oc1ccc(F)cc1 ZINC000183534827 1129060841 /nfs/dbraw/zinc/06/08/41/1129060841.db2.gz NCXUOPGUMLUTJM-CHWSQXEVSA-N 0 3 289.350 3.649 20 10 CHCDHN COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183560011 1129065654 /nfs/dbraw/zinc/06/56/54/1129065654.db2.gz MPTHHTBVZDFVSB-BLLLJJGKSA-N 0 3 283.371 3.739 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@@](C)(OC)C1(C)C)c1ccccc1[O-] ZINC000775513170 1122633220 /nfs/dbraw/zinc/63/32/20/1122633220.db2.gz OONHHJIOUSRLHJ-YSVLISHTSA-N 0 3 277.408 3.637 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccccc1[O-] ZINC000775512921 1122634487 /nfs/dbraw/zinc/63/44/87/1122634487.db2.gz SMQFKGPFSHXQFH-CZUORRHYSA-N 0 3 270.376 3.632 20 10 CHCDHN CC[C@H]([NH2+][C@H](COC)Cc1ccccc1)c1ccccc1[O-] ZINC000775514085 1122634510 /nfs/dbraw/zinc/63/45/10/1122634510.db2.gz VOWLLTHNEYUTBV-WMZOPIPTSA-N 0 3 299.414 3.691 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)C2)c1[O-] ZINC000775638220 1122849123 /nfs/dbraw/zinc/84/91/23/1122849123.db2.gz CITFMYRCOGAKES-JTQLQIEISA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)C2)c1[O-] ZINC000775638220 1122849127 /nfs/dbraw/zinc/84/91/27/1122849127.db2.gz CITFMYRCOGAKES-JTQLQIEISA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000775737054 1122928366 /nfs/dbraw/zinc/92/83/66/1122928366.db2.gz NXWGJKWGEHFONA-KOLCDFICSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000775737054 1122928368 /nfs/dbraw/zinc/92/83/68/1122928368.db2.gz NXWGJKWGEHFONA-KOLCDFICSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C2(C)CCCC2)c1[O-] ZINC000775819443 1122980944 /nfs/dbraw/zinc/98/09/44/1122980944.db2.gz HQQTVJVCEZKVTQ-UHFFFAOYSA-N 0 3 253.773 3.776 20 10 CHCDHN C[C@H](NCc1ccnc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775832372 1122984471 /nfs/dbraw/zinc/98/44/71/1122984471.db2.gz ZXPMVEKSJCOIBI-LBPRGKRZSA-N 0 3 289.810 3.652 20 10 CHCDHN C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000776012508 1123036564 /nfs/dbraw/zinc/03/65/64/1123036564.db2.gz HFNQRRYJXWAIKQ-JOYOIKCWSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000776012508 1123036570 /nfs/dbraw/zinc/03/65/70/1123036570.db2.gz HFNQRRYJXWAIKQ-JOYOIKCWSA-N 0 3 291.288 3.694 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCCC2CC2)c1[O-] ZINC000776208991 1123147065 /nfs/dbraw/zinc/14/70/65/1123147065.db2.gz PWJXGGBIDHHYPG-UHFFFAOYSA-N 0 3 253.773 3.634 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(F)(F)C2)c1[O-] ZINC000776251388 1123179401 /nfs/dbraw/zinc/17/94/01/1123179401.db2.gz GSGNJZZWSSFCNU-LLVKDONJSA-N 0 3 275.726 3.631 20 10 CHCDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)C(C)(F)F ZINC000696595989 1123220605 /nfs/dbraw/zinc/22/06/05/1123220605.db2.gz GMDFFSXQPIOXJB-LLVKDONJSA-N 0 3 269.335 3.651 20 10 CHCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCc2c(C)cccc21 ZINC000850411500 1123264671 /nfs/dbraw/zinc/26/46/71/1123264671.db2.gz CYIRTMNQIHEARQ-KRWDZBQOSA-N 0 3 297.398 3.876 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1C[C@H](Oc3ccccc3)C1)CC2 ZINC000850530966 1123284809 /nfs/dbraw/zinc/28/48/09/1123284809.db2.gz FVTKLFJUQSAKQN-XIRDDKMYSA-N 0 3 295.382 3.579 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@H](Oc3ccccc3)C1)CC2 ZINC000850530965 1123285193 /nfs/dbraw/zinc/28/51/93/1123285193.db2.gz FVTKLFJUQSAKQN-DJIMGWMZSA-N 0 3 295.382 3.579 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CCC(F)CC1 ZINC000850555990 1123290808 /nfs/dbraw/zinc/29/08/08/1123290808.db2.gz QDERRIUOCIIBSI-WZKVNAIUSA-N 0 3 277.383 3.886 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCc2ccco2)c([O-])c1 ZINC000850570308 1123294406 /nfs/dbraw/zinc/29/44/06/1123294406.db2.gz UNLNECXZOQVNOU-CYBMUJFWSA-N 0 3 259.349 3.577 20 10 CHCDHN CO[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CCCCC1 ZINC000850569598 1123294501 /nfs/dbraw/zinc/29/45/01/1123294501.db2.gz KADRQYCTMDRBRO-WBVHZDCISA-N 0 3 289.419 3.564 20 10 CHCDHN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](C)O)c1ccccc1[O-] ZINC000850582913 1123296524 /nfs/dbraw/zinc/29/65/24/1123296524.db2.gz HOTIWSBEYJPSRQ-RPVQJOFSSA-N 0 3 285.387 3.555 20 10 CHCDHN CCCN(Cc1cc(C2CC2)no1)Cc1ccccc1O ZINC000851791445 1123380512 /nfs/dbraw/zinc/38/05/12/1123380512.db2.gz AMSSNZLOLBQOQZ-UHFFFAOYSA-N 0 3 286.375 3.670 20 10 CHCDHN CC1(C)C[C@@]1([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000853091738 1123424133 /nfs/dbraw/zinc/42/41/33/1123424133.db2.gz OYSXGDBHXNRZDW-GOSISDBHSA-N 0 3 267.372 3.807 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)CC(F)(F)F)c1 ZINC000853096308 1123424242 /nfs/dbraw/zinc/42/42/42/1123424242.db2.gz WUQUYOKEXKUKST-UHFFFAOYSA-N 0 3 275.314 3.769 20 10 CHCDHN CCN1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000273440199 1129125908 /nfs/dbraw/zinc/12/59/08/1129125908.db2.gz YHGWRJCCBPZMBT-AWEZNQCLSA-N 0 3 298.430 3.680 20 10 CHCDHN COCCCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCC1 ZINC000895852343 1123522848 /nfs/dbraw/zinc/52/28/48/1123522848.db2.gz SHTQTBWWXKQVCC-AWEZNQCLSA-N 0 3 277.408 3.640 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[O-] ZINC001237685196 1129128088 /nfs/dbraw/zinc/12/80/88/1129128088.db2.gz FILWSDHKHHQZEK-QWRGUYRKSA-N 0 3 267.800 3.832 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CC2(F)F)c([O-])c1 ZINC000857081923 1123585816 /nfs/dbraw/zinc/58/58/16/1123585816.db2.gz RKWDCHRBOIBUKJ-RYUDHWBXSA-N 0 3 269.335 3.705 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H](c1ccccn1)C1CC1 ZINC000896609393 1123605492 /nfs/dbraw/zinc/60/54/92/1123605492.db2.gz NGTGVISBQXBOKF-IBGZPJMESA-N 0 3 295.430 3.697 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CO)CCC(C)C)c1ccc(C)cc1[O-] ZINC000858486631 1123657811 /nfs/dbraw/zinc/65/78/11/1123657811.db2.gz XSCFBRHRYDUKDG-GOEBONIOSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000858548246 1123661670 /nfs/dbraw/zinc/66/16/70/1123661670.db2.gz RPODEDAHAXRXIK-PSOPSSQASA-N 0 3 295.810 3.572 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000192785099 1123816008 /nfs/dbraw/zinc/81/60/08/1123816008.db2.gz FXYLHWFVTGJULA-CHWSQXEVSA-N 0 3 299.370 3.575 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794794009 1123951267 /nfs/dbraw/zinc/95/12/67/1123951267.db2.gz PBGKSXXZNDQTMW-CZUORRHYSA-N 0 3 273.376 3.966 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)c1ccc(C)cc1[O-] ZINC000794806397 1123955406 /nfs/dbraw/zinc/95/54/06/1123955406.db2.gz IGRZQFFERPBBPV-PKOBYXMFSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]C1CCC(O)(CC)CC1)c1ccc(C)cc1[O-] ZINC000794810398 1123955557 /nfs/dbraw/zinc/95/55/57/1123955557.db2.gz KZQGYVUANVVMPG-HQVVEAJESA-N 0 3 291.435 3.825 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794818358 1123960077 /nfs/dbraw/zinc/96/00/77/1123960077.db2.gz SFUXXTVCLZSCKF-IAGOWNOFSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000794818124 1123960481 /nfs/dbraw/zinc/96/04/81/1123960481.db2.gz QIKPQIFIZLRKFO-DZKIICNBSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCSC2)c2c1c(F)ccc2[O-] ZINC000866402379 1124063196 /nfs/dbraw/zinc/06/31/96/1124063196.db2.gz JQWUGAGBTGJQLZ-NTZNESFSSA-N 0 3 295.423 3.812 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccnc(F)c2)c1[O-] ZINC000866473820 1124069767 /nfs/dbraw/zinc/06/97/67/1124069767.db2.gz HZAQQHBTKNTFQR-JTQLQIEISA-N 0 3 294.757 3.739 20 10 CHCDHN C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)c2c1c(F)ccc2[O-] ZINC000866499023 1124073484 /nfs/dbraw/zinc/07/34/84/1124073484.db2.gz CWQBXKAJGJTLPP-WDQPUEAGSA-N 0 3 289.272 3.620 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccccc1[O-] ZINC000866512727 1124076147 /nfs/dbraw/zinc/07/61/47/1124076147.db2.gz OFPWGMPISYGPNY-ZVZYQTTQSA-N 0 3 289.419 3.638 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c([O-])c1 ZINC000866513012 1124076227 /nfs/dbraw/zinc/07/62/27/1124076227.db2.gz RADDFZCHHPJQLN-YEWWUXTCSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)c([O-])c1 ZINC000866529658 1124078726 /nfs/dbraw/zinc/07/87/26/1124078726.db2.gz RJXDFCMBXDFFCP-CABCVRRESA-N 0 3 289.419 3.558 20 10 CHCDHN C[N@H+](CCSc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000121139341 1124086053 /nfs/dbraw/zinc/08/60/53/1124086053.db2.gz WIAJMKGPXWVTMK-UHFFFAOYSA-N 0 3 291.391 3.755 20 10 CHCDHN C[N@@H+](CCSc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000121139341 1124086055 /nfs/dbraw/zinc/08/60/55/1124086055.db2.gz WIAJMKGPXWVTMK-UHFFFAOYSA-N 0 3 291.391 3.755 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cc2cnccc2o1 ZINC000866618868 1124090625 /nfs/dbraw/zinc/09/06/25/1124090625.db2.gz BKFIQPILHONUHI-RISCZKNCSA-N 0 3 294.354 3.872 20 10 CHCDHN CCCOc1ccc(CNCc2cccnc2C)cc1C ZINC000873145160 1124741754 /nfs/dbraw/zinc/74/17/54/1124741754.db2.gz ZRPXNRLNQCAQDY-UHFFFAOYSA-N 0 3 284.403 3.777 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccccc1)c1ccccc1[O-] ZINC000019919943 1124770017 /nfs/dbraw/zinc/77/00/17/1124770017.db2.gz OVTQFZICDDDVKP-MRXNPFEDSA-N 0 3 255.361 3.676 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1[O-] ZINC000019912775 1124770902 /nfs/dbraw/zinc/77/09/02/1124770902.db2.gz LMTNVQZBKCQOFA-MRXNPFEDSA-N 0 3 273.351 3.815 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccccc2F)c([O-])c1 ZINC000020088797 1124805795 /nfs/dbraw/zinc/80/57/95/1124805795.db2.gz SPJMPBMDTWKRNC-ZDUSSCGKSA-N 0 3 273.351 3.733 20 10 CHCDHN CCC(CC)[C@H](C[NH2+][C@H](CC)c1ccccc1[O-])N(C)C ZINC000021036377 1124892223 /nfs/dbraw/zinc/89/22/23/1124892223.db2.gz WHNCVMAIPKREHR-SJORKVTESA-N 0 3 292.467 3.799 20 10 CHCDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000126056905 1124965009 /nfs/dbraw/zinc/96/50/09/1124965009.db2.gz GVCHSTWKQJWYAW-CYBMUJFWSA-N 0 3 299.374 3.512 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCc2ccccc2)c([O-])c1 ZINC000021813600 1124972670 /nfs/dbraw/zinc/97/26/70/1124972670.db2.gz VBFVDMWHNFCUEH-HNNXBMFYSA-N 0 3 269.388 3.984 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)c([O-])c1 ZINC000876925669 1124990153 /nfs/dbraw/zinc/99/01/53/1124990153.db2.gz BLNDKXGXIFKFEI-UHFFFAOYSA-N 0 3 285.387 3.778 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])c1ccccc1 ZINC000876989460 1124995122 /nfs/dbraw/zinc/99/51/22/1124995122.db2.gz ZSJXZABVXYEULM-MRXNPFEDSA-N 0 3 255.361 3.942 20 10 CHCDHN CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000876990713 1124995552 /nfs/dbraw/zinc/99/55/52/1124995552.db2.gz AOMJNNFHFRLHSG-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)cc1[O-])CC2 ZINC000877015356 1124998735 /nfs/dbraw/zinc/99/87/35/1124998735.db2.gz MZXWAVNRAQSBDO-QGZVFWFLSA-N 0 3 267.372 3.786 20 10 CHCDHN CC[C@@H](NCc1c(C)cccc1O)c1nc(C)cs1 ZINC000877025221 1125000042 /nfs/dbraw/zinc/00/00/42/1125000042.db2.gz DEAIIXMHBGAXBT-CYBMUJFWSA-N 0 3 276.405 3.706 20 10 CHCDHN CCc1ccccc1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877059704 1125003803 /nfs/dbraw/zinc/00/38/03/1125003803.db2.gz PRYYZVMBVPAWCD-UHFFFAOYSA-N 0 3 255.361 3.553 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C1CCC(OC(C)C)CC1 ZINC000877114681 1125010717 /nfs/dbraw/zinc/01/07/17/1125010717.db2.gz XVAFLSATFBAUSN-UHFFFAOYSA-N 0 3 277.408 3.526 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000877498853 1125036453 /nfs/dbraw/zinc/03/64/53/1125036453.db2.gz VTHGKWCNIUJVCC-GFCCVEGCSA-N 0 3 269.335 3.616 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000529666234 1125039052 /nfs/dbraw/zinc/03/90/52/1125039052.db2.gz SHKHBMNZKFXURG-HNNXBMFYSA-N 0 3 291.753 3.962 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)c([O-])c1 ZINC000877644139 1125058458 /nfs/dbraw/zinc/05/84/58/1125058458.db2.gz RGWAHBUGJVUKDA-AWEZNQCLSA-N 0 3 297.398 3.876 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cnc1Cl ZINC000877756485 1125071660 /nfs/dbraw/zinc/07/16/60/1125071660.db2.gz LWRXEIFXVRVBAI-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccccc1[O-] ZINC000877756267 1125071887 /nfs/dbraw/zinc/07/18/87/1125071887.db2.gz DDXRZASDEBICIB-CYBMUJFWSA-N 0 3 297.398 3.957 20 10 CHCDHN C[C@H]([NH2+]Cc1cncc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000879650562 1125223928 /nfs/dbraw/zinc/22/39/28/1125223928.db2.gz HIUCRHTXFRVGPL-JTQLQIEISA-N 0 3 296.292 3.657 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C)C2)c1[O-] ZINC000783710101 1125285794 /nfs/dbraw/zinc/28/57/94/1125285794.db2.gz JNSWVPRREQEBDK-ZANVPECISA-N 0 3 298.224 3.741 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCC(C)(C)CC2)c1[O-] ZINC000211479043 1125306754 /nfs/dbraw/zinc/30/67/54/1125306754.db2.gz TUOPSYIFSFOVRH-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCC(C)(C)CC2)c1[O-] ZINC000211479043 1125306757 /nfs/dbraw/zinc/30/67/57/1125306757.db2.gz TUOPSYIFSFOVRH-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(C)cc1[O-] ZINC000883357023 1125401272 /nfs/dbraw/zinc/40/12/72/1125401272.db2.gz BBTOBHYITRFXDW-HOCLYGCPSA-N 0 3 289.419 3.843 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1[O-] ZINC000883365664 1125402023 /nfs/dbraw/zinc/40/20/23/1125402023.db2.gz FBWFJNJUHYQAKJ-UAGQMJEPSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[N@H+](Cc1cccc(OC)c1[O-])C1CCCCC1 ZINC000131771031 1125409685 /nfs/dbraw/zinc/40/96/85/1125409685.db2.gz HABRLANHCNJIBL-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])C1CCCCC1 ZINC000131771031 1125409687 /nfs/dbraw/zinc/40/96/87/1125409687.db2.gz HABRLANHCNJIBL-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)CC2 ZINC000297495677 1129225009 /nfs/dbraw/zinc/22/50/09/1129225009.db2.gz BRMFTWYFEPIEQP-CQSZACIVSA-N 0 3 291.753 3.962 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccccc1[O-] ZINC000037763986 1129266602 /nfs/dbraw/zinc/26/66/02/1129266602.db2.gz UFCAIHTZFSGTDN-RYUDHWBXSA-N 0 3 259.324 3.943 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1[O-] ZINC000282683822 1129276504 /nfs/dbraw/zinc/27/65/04/1129276504.db2.gz JVGGAMMVGBTEAE-WBVHZDCISA-N 0 3 289.419 3.782 20 10 CHCDHN C[C@H]([NH2+]CCSc1ccccc1)c1ccccc1[O-] ZINC000037904075 1129290167 /nfs/dbraw/zinc/29/01/67/1129290167.db2.gz LPVINAXLNYTWQD-ZDUSSCGKSA-N 0 3 273.401 3.835 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000734509970 1129310480 /nfs/dbraw/zinc/31/04/80/1129310480.db2.gz PLFGIFUSTDONOJ-GFCCVEGCSA-N 0 3 265.397 3.563 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000735309560 1129340526 /nfs/dbraw/zinc/34/05/26/1129340526.db2.gz OWUGBOIDJWEAEI-UHFFFAOYSA-N 0 3 255.361 3.587 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000735309560 1129340529 /nfs/dbraw/zinc/34/05/29/1129340529.db2.gz OWUGBOIDJWEAEI-UHFFFAOYSA-N 0 3 255.361 3.587 20 10 CHCDHN CCC[C@](C)(CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000735926151 1129361398 /nfs/dbraw/zinc/36/13/98/1129361398.db2.gz KIQBZYKBQURZTL-LJQANCHMSA-N 0 3 299.414 3.700 20 10 CHCDHN Cc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1C ZINC000091956747 1129376090 /nfs/dbraw/zinc/37/60/90/1129376090.db2.gz DCJURIHXIDZLBL-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1C ZINC000091956747 1129376094 /nfs/dbraw/zinc/37/60/94/1129376094.db2.gz DCJURIHXIDZLBL-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc2oc(C[NH2+]Cc3ccccc3[O-])cc2c1 ZINC000740003918 1129408826 /nfs/dbraw/zinc/40/88/26/1129408826.db2.gz BUPDNHAODGCOJU-UHFFFAOYSA-N 0 3 267.328 3.737 20 10 CHCDHN CCc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618344 1129448311 /nfs/dbraw/zinc/44/83/11/1129448311.db2.gz ANNOSXGUAUVZOT-GFCCVEGCSA-N 0 3 273.351 3.945 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000094616762 1129448335 /nfs/dbraw/zinc/44/83/35/1129448335.db2.gz KVABRNCJWNJYGX-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCOCC1CC1)C1CCCC1 ZINC000741786151 1129452705 /nfs/dbraw/zinc/45/27/05/1129452705.db2.gz WUMKLHHPJHIKEU-UHFFFAOYSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCOCC1CC1)C1CCCC1 ZINC000741786151 1129452708 /nfs/dbraw/zinc/45/27/08/1129452708.db2.gz WUMKLHHPJHIKEU-UHFFFAOYSA-N 0 3 289.419 3.563 20 10 CHCDHN CC(C)[C@@H](CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742381252 1129473287 /nfs/dbraw/zinc/47/32/87/1129473287.db2.gz UKVDHQLSVJWOTH-GOSISDBHSA-N 0 3 299.414 3.556 20 10 CHCDHN CCOc1ccc(C[NH2+]C(CC)(CC)CC)c([O-])c1 ZINC000742373409 1129475567 /nfs/dbraw/zinc/47/55/67/1129475567.db2.gz BQTSKOUFRFPFSM-UHFFFAOYSA-N 0 3 265.397 3.849 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCC1CC1)Cc1ccco1 ZINC000744398720 1129575519 /nfs/dbraw/zinc/57/55/19/1129575519.db2.gz YLPMUOAFCGQAIZ-UHFFFAOYSA-N 0 3 271.360 3.788 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCC1CC1)Cc1ccco1 ZINC000744398720 1129575522 /nfs/dbraw/zinc/57/55/22/1129575522.db2.gz YLPMUOAFCGQAIZ-UHFFFAOYSA-N 0 3 271.360 3.788 20 10 CHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C)O1 ZINC000252442488 1129576503 /nfs/dbraw/zinc/57/65/03/1129576503.db2.gz ACNKTYNDCMHGMV-UKRRQHHQSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C)O1 ZINC000252442488 1129576508 /nfs/dbraw/zinc/57/65/08/1129576508.db2.gz ACNKTYNDCMHGMV-UKRRQHHQSA-N 0 3 285.387 3.545 20 10 CHCDHN CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1(C)C ZINC000766331755 1129604658 /nfs/dbraw/zinc/60/46/58/1129604658.db2.gz UKWXERANPLTFBU-DAXOMENPSA-N 0 3 277.408 3.635 20 10 CHCDHN CC(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O)cc1[O-] ZINC001169059529 1129693644 /nfs/dbraw/zinc/69/36/44/1129693644.db2.gz RDCXOMRZBBJZTP-KRWDZBQOSA-N 0 3 299.414 3.845 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CCC(C)C ZINC001169754356 1129754060 /nfs/dbraw/zinc/75/40/60/1129754060.db2.gz LIGMCWXVASDFKG-QGZVFWFLSA-N 0 3 293.451 3.791 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CCC(C)C ZINC001169754356 1129754062 /nfs/dbraw/zinc/75/40/62/1129754062.db2.gz LIGMCWXVASDFKG-QGZVFWFLSA-N 0 3 293.451 3.791 20 10 CHCDHN CCOc1ccc(C[N@H+](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000768196499 1129842367 /nfs/dbraw/zinc/84/23/67/1129842367.db2.gz GHOUVOSOQPEZRE-CQSZACIVSA-N 0 3 285.387 3.984 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC000768196499 1129842372 /nfs/dbraw/zinc/84/23/72/1129842372.db2.gz GHOUVOSOQPEZRE-CQSZACIVSA-N 0 3 285.387 3.984 20 10 CHCDHN Oc1cc2c(cc1CN1CCc3cc(F)ccc3C1)CCC2 ZINC000768481005 1129857877 /nfs/dbraw/zinc/85/78/77/1129857877.db2.gz DGFYQEMGECBIOE-UHFFFAOYSA-N 0 3 297.373 3.578 20 10 CHCDHN C[C@@H]1CO[C@@H](C)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000768536266 1129861020 /nfs/dbraw/zinc/86/10/20/1129861020.db2.gz GXYXNOKJJIAITC-CABCVRRESA-N 0 3 297.398 3.668 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)CCCCc1ccccc1 ZINC000768871088 1129878150 /nfs/dbraw/zinc/87/81/50/1129878150.db2.gz HWBQTDZZZYZDGZ-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)CCCCc1ccccc1 ZINC000768871088 1129878155 /nfs/dbraw/zinc/87/81/55/1129878155.db2.gz HWBQTDZZZYZDGZ-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000769445518 1129910152 /nfs/dbraw/zinc/91/01/52/1129910152.db2.gz JZAOPGGSILOFLB-ZBFHGGJFSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000769445518 1129910154 /nfs/dbraw/zinc/91/01/54/1129910154.db2.gz JZAOPGGSILOFLB-ZBFHGGJFSA-N 0 3 297.398 3.779 20 10 CHCDHN C[C@@H]1COCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769458411 1129911762 /nfs/dbraw/zinc/91/17/62/1129911762.db2.gz TZTWSWGXCKPUQV-OAHLLOKOSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@@H]1COCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769458411 1129911764 /nfs/dbraw/zinc/91/17/64/1129911764.db2.gz TZTWSWGXCKPUQV-OAHLLOKOSA-N 0 3 297.398 3.670 20 10 CHCDHN COc1cccc(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000769462006 1129911885 /nfs/dbraw/zinc/91/18/85/1129911885.db2.gz FBVRVNSCSBHMMW-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1cccc(C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000769462006 1129911887 /nfs/dbraw/zinc/91/18/87/1129911887.db2.gz FBVRVNSCSBHMMW-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000769464477 1129911945 /nfs/dbraw/zinc/91/19/45/1129911945.db2.gz YCUDGPGEHSRCAT-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000769464477 1129911946 /nfs/dbraw/zinc/91/19/46/1129911946.db2.gz YCUDGPGEHSRCAT-OAHLLOKOSA-N 0 3 299.414 3.772 20 10 CHCDHN CCCC[N@H+](Cc1ccc(C)cn1)Cc1ccccc1[O-] ZINC000801596173 1129932237 /nfs/dbraw/zinc/93/22/37/1129932237.db2.gz RLHYBHAIYWGMTC-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@@H+](Cc1ccc(C)cn1)Cc1ccccc1[O-] ZINC000801596173 1129932238 /nfs/dbraw/zinc/93/22/38/1129932238.db2.gz RLHYBHAIYWGMTC-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])CC1(O)CCCCC1 ZINC000801596573 1129932259 /nfs/dbraw/zinc/93/22/59/1129932259.db2.gz GFHMNUHUGDGFLV-UHFFFAOYSA-N 0 3 291.435 3.690 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])CC1(O)CCCCC1 ZINC000801596573 1129932261 /nfs/dbraw/zinc/93/22/61/1129932261.db2.gz GFHMNUHUGDGFLV-UHFFFAOYSA-N 0 3 291.435 3.690 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000770509095 1129947849 /nfs/dbraw/zinc/94/78/49/1129947849.db2.gz HXZPMWBCUKVVGO-GOSISDBHSA-N 0 3 281.399 3.989 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000770509095 1129947851 /nfs/dbraw/zinc/94/78/51/1129947851.db2.gz HXZPMWBCUKVVGO-GOSISDBHSA-N 0 3 281.399 3.989 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CC1CCCCC1)C1CC1 ZINC000770509688 1129949030 /nfs/dbraw/zinc/94/90/30/1129949030.db2.gz RCAUIYVDNFIBLW-UHFFFAOYSA-N 0 3 259.393 3.937 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000770509688 1129949032 /nfs/dbraw/zinc/94/90/32/1129949032.db2.gz RCAUIYVDNFIBLW-UHFFFAOYSA-N 0 3 259.393 3.937 20 10 CHCDHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000771388971 1129979496 /nfs/dbraw/zinc/97/94/96/1129979496.db2.gz QDRVGEMFXCQVRI-LSDHHAIUSA-N 0 3 283.419 3.868 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000802308717 1129991315 /nfs/dbraw/zinc/99/13/15/1129991315.db2.gz HGGRSHYOFQKQMX-KKUMJFAQSA-N 0 3 291.435 3.945 20 10 CHCDHN C[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCOC1 ZINC000771896844 1129995766 /nfs/dbraw/zinc/99/57/66/1129995766.db2.gz RJTCENWZPWICJX-IBGZPJMESA-N 0 3 297.398 3.718 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC000771939246 1129996891 /nfs/dbraw/zinc/99/68/91/1129996891.db2.gz OOKYXKFJNINUIY-KRWDZBQOSA-N 0 3 283.371 3.738 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC000771939246 1129996893 /nfs/dbraw/zinc/99/68/93/1129996893.db2.gz OOKYXKFJNINUIY-KRWDZBQOSA-N 0 3 283.371 3.738 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2cccc(F)c2C1 ZINC001171005899 1131412712 /nfs/dbraw/zinc/41/27/12/1131412712.db2.gz SDZOWPRQFACJMK-HNNXBMFYSA-N 0 3 285.362 3.521 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2cccc(F)c2C1 ZINC001171005899 1131412714 /nfs/dbraw/zinc/41/27/14/1131412714.db2.gz SDZOWPRQFACJMK-HNNXBMFYSA-N 0 3 285.362 3.521 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccccc1[O-] ZINC000786431599 1130093550 /nfs/dbraw/zinc/09/35/50/1130093550.db2.gz ROZQWNAZRIALGN-HUUCEWRRSA-N 0 3 289.419 3.925 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000903333094 1130158798 /nfs/dbraw/zinc/15/87/98/1130158798.db2.gz NNZODHAEGNDEND-NEPJUHHUSA-N 0 3 269.335 3.868 20 10 CHCDHN COc1cccc([C@H](C)N[C@@H](c2ccccn2)C2CC2)c1O ZINC000903335284 1130160783 /nfs/dbraw/zinc/16/07/83/1130160783.db2.gz NJLGPUAOJORIRM-YVEFUNNKSA-N 0 3 298.386 3.598 20 10 CHCDHN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903341305 1130163009 /nfs/dbraw/zinc/16/30/09/1130163009.db2.gz XLAMYHDHSHAZRZ-AUUYWEPGSA-N 0 3 295.430 3.950 20 10 CHCDHN CC[C@H]([NH2+]CCc1cccnc1C)c1ccc(C)cc1[O-] ZINC000903419257 1130173971 /nfs/dbraw/zinc/17/39/71/1130173971.db2.gz UCGYAPHBIYVNDZ-KRWDZBQOSA-N 0 3 284.403 3.687 20 10 CHCDHN COc1c2ccccc2oc1CN[C@H](C)c1ccccc1O ZINC000788982682 1130225139 /nfs/dbraw/zinc/22/51/39/1130225139.db2.gz YICGGDUODDXKDP-GFCCVEGCSA-N 0 3 297.354 3.998 20 10 CHCDHN CC(C)(C)[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000790416446 1130312984 /nfs/dbraw/zinc/31/29/84/1130312984.db2.gz PPNOXCDKTONMFC-GOSISDBHSA-N 0 3 299.414 3.792 20 10 CHCDHN CC(C)(C)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000790416446 1130312991 /nfs/dbraw/zinc/31/29/91/1130312991.db2.gz PPNOXCDKTONMFC-GOSISDBHSA-N 0 3 299.414 3.792 20 10 CHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2CC[C@@H](C)C2)C1 ZINC001170152353 1130361201 /nfs/dbraw/zinc/36/12/01/1130361201.db2.gz KQJOUJKBZSGXHW-KGLIPLIRSA-N 0 3 298.430 3.734 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])CC1(OC)CCCC1 ZINC000792163957 1130434020 /nfs/dbraw/zinc/43/40/20/1130434020.db2.gz DTPZBZAXJUSZHG-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])CC1(OC)CCCC1 ZINC000792163957 1130434024 /nfs/dbraw/zinc/43/40/24/1130434024.db2.gz DTPZBZAXJUSZHG-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN COc1ccc(CN[C@H](C)c2ccc(C)cc2O)c(F)c1 ZINC000756755589 1130439266 /nfs/dbraw/zinc/43/92/66/1130439266.db2.gz AXLHMBXOQDLLQU-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCCOC(C)(C)C)c1[O-] ZINC000827168940 1130457095 /nfs/dbraw/zinc/45/70/95/1130457095.db2.gz ADLYNNDGMGYVKJ-UHFFFAOYSA-N 0 3 285.815 3.649 20 10 CHCDHN CCC[N@H+](CCCCCF)Cc1ccccc1[O-] ZINC000792868335 1130503076 /nfs/dbraw/zinc/50/30/76/1130503076.db2.gz TZNFTWNBUBDURZ-UHFFFAOYSA-N 0 3 253.361 3.744 20 10 CHCDHN CCC[N@@H+](CCCCCF)Cc1ccccc1[O-] ZINC000792868335 1130503078 /nfs/dbraw/zinc/50/30/78/1130503078.db2.gz TZNFTWNBUBDURZ-UHFFFAOYSA-N 0 3 253.361 3.744 20 10 CHCDHN C[C@H]1C[C@H](C)[NH+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000793220978 1130530879 /nfs/dbraw/zinc/53/08/79/1130530879.db2.gz SQGHDGHBEMGUHD-GJZGRUSLSA-N 0 3 297.398 3.954 20 10 CHCDHN CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000793340496 1130540824 /nfs/dbraw/zinc/54/08/24/1130540824.db2.gz PCPNCASGROVWPV-INIZCTEOSA-N 0 3 297.826 3.745 20 10 CHCDHN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000793340496 1130540830 /nfs/dbraw/zinc/54/08/30/1130540830.db2.gz PCPNCASGROVWPV-INIZCTEOSA-N 0 3 297.826 3.745 20 10 CHCDHN CCCc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793388076 1130551528 /nfs/dbraw/zinc/55/15/28/1130551528.db2.gz KULAYMRNMHKYJQ-UHFFFAOYSA-N 0 3 285.387 3.643 20 10 CHCDHN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cccc1-c1ccccc1 ZINC001235001278 1130699897 /nfs/dbraw/zinc/69/98/97/1130699897.db2.gz LYUWKVSQRNZWFW-RYQLBKOJSA-N 0 3 297.373 3.849 20 10 CHCDHN [O-]c1c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cccc1-c1ccccc1 ZINC001235001278 1130699902 /nfs/dbraw/zinc/69/99/02/1130699902.db2.gz LYUWKVSQRNZWFW-RYQLBKOJSA-N 0 3 297.373 3.849 20 10 CHCDHN C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993261 1130700007 /nfs/dbraw/zinc/70/00/07/1130700007.db2.gz XTWRXJSWMLJGLI-CJNGLKHVSA-N 0 3 285.362 3.992 20 10 CHCDHN C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993261 1130700013 /nfs/dbraw/zinc/70/00/13/1130700013.db2.gz XTWRXJSWMLJGLI-CJNGLKHVSA-N 0 3 285.362 3.992 20 10 CHCDHN CC[C@H]1COCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996721 1130700502 /nfs/dbraw/zinc/70/05/02/1130700502.db2.gz NARDFSKNWUNQKN-KRWDZBQOSA-N 0 3 297.398 3.670 20 10 CHCDHN CC[C@H]1COCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996721 1130700506 /nfs/dbraw/zinc/70/05/06/1130700506.db2.gz NARDFSKNWUNQKN-KRWDZBQOSA-N 0 3 297.398 3.670 20 10 CHCDHN CCC[N@H+](CCOC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234990574 1130701447 /nfs/dbraw/zinc/70/14/47/1130701447.db2.gz IBOQJOGPVWKGMW-UHFFFAOYSA-N 0 3 299.414 3.918 20 10 CHCDHN CCC[N@@H+](CCOC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234990574 1130701453 /nfs/dbraw/zinc/70/14/53/1130701453.db2.gz IBOQJOGPVWKGMW-UHFFFAOYSA-N 0 3 299.414 3.918 20 10 CHCDHN CC(C)(C)c1ccc(CN2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001235674881 1130765795 /nfs/dbraw/zinc/76/57/95/1130765795.db2.gz HUTPVGLGNLMHPD-UHFFFAOYSA-N 0 3 295.373 3.921 20 10 CHCDHN CCO[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235685990 1130767443 /nfs/dbraw/zinc/76/74/43/1130767443.db2.gz WGBCZTZQMYJDCK-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN CCO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235685990 1130767450 /nfs/dbraw/zinc/76/74/50/1130767450.db2.gz WGBCZTZQMYJDCK-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN CC(C)[C@@H]1COCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001235679453 1130768062 /nfs/dbraw/zinc/76/80/62/1130768062.db2.gz OQWOPGMUTLMWRG-INIZCTEOSA-N 0 3 291.435 3.547 20 10 CHCDHN Cc1nc2cc(C[N@@H+](C)Cc3ccccc3[O-])ccc2s1 ZINC001235862687 1130788799 /nfs/dbraw/zinc/78/87/99/1130788799.db2.gz JWDRRYNHDXJTCH-UHFFFAOYSA-N 0 3 298.411 3.942 20 10 CHCDHN Cc1nc2cc(C[N@H+](C)Cc3ccccc3[O-])ccc2s1 ZINC001235862687 1130788805 /nfs/dbraw/zinc/78/88/05/1130788805.db2.gz JWDRRYNHDXJTCH-UHFFFAOYSA-N 0 3 298.411 3.942 20 10 CHCDHN C[C@@H]([NH2+]CCCOc1ccccc1F)c1ccccc1[O-] ZINC000783504003 1130830667 /nfs/dbraw/zinc/83/06/67/1130830667.db2.gz WPGYINQZTMNWOU-CYBMUJFWSA-N 0 3 289.350 3.651 20 10 CHCDHN Cc1ccc(OCC[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000783501736 1130831298 /nfs/dbraw/zinc/83/12/98/1130831298.db2.gz PTEBANHTWCDZGI-OAHLLOKOSA-N 0 3 285.387 3.739 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1c(C)nn(C)c1C ZINC000783517995 1130833114 /nfs/dbraw/zinc/83/31/14/1130833114.db2.gz MJIKVBFCSKOSAX-IAQYHMDHSA-N 0 3 287.407 3.544 20 10 CHCDHN C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccccc1[O-] ZINC000783509941 1130833321 /nfs/dbraw/zinc/83/33/21/1130833321.db2.gz UZGGNPOIXVLFNX-GFCCVEGCSA-N 0 3 298.361 3.906 20 10 CHCDHN C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccccc1[O-] ZINC000783522545 1130833541 /nfs/dbraw/zinc/83/35/41/1130833541.db2.gz PFRFMCZHAWJXET-ZJNRKIDTSA-N 0 3 267.372 3.976 20 10 CHCDHN C[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1ccccc1[O-] ZINC000783520292 1130833719 /nfs/dbraw/zinc/83/37/19/1130833719.db2.gz ZYPLSBGVDGIJJN-CQSZACIVSA-N 0 3 281.399 3.848 20 10 CHCDHN CCC(CC)[C@H](CC[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000783519321 1130834551 /nfs/dbraw/zinc/83/45/51/1130834551.db2.gz RLSZAXGZBUUYSB-DYVFJYSZSA-N 0 3 279.424 3.884 20 10 CHCDHN C[C@H](C[N@H+](C)Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000783535074 1130835206 /nfs/dbraw/zinc/83/52/06/1130835206.db2.gz LPEPMWCOEWIXCE-CYBMUJFWSA-N 0 3 273.351 3.767 20 10 CHCDHN C[C@H](C[N@@H+](C)Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000783535074 1130835216 /nfs/dbraw/zinc/83/52/16/1130835216.db2.gz LPEPMWCOEWIXCE-CYBMUJFWSA-N 0 3 273.351 3.767 20 10 CHCDHN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000784640497 1130915017 /nfs/dbraw/zinc/91/50/17/1130915017.db2.gz PGSZWINAANMFGH-KUHUBIRLSA-N 0 3 297.398 3.716 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c([O-])c1 ZINC000815576078 1131001739 /nfs/dbraw/zinc/00/17/39/1131001739.db2.gz IVFVTHOSSCDDLC-HOCLYGCPSA-N 0 3 281.399 4.000 20 10 CHCDHN CCc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC001236788606 1131005895 /nfs/dbraw/zinc/00/58/95/1131005895.db2.gz PTJMJVHJYLWEJD-SAZUREKKSA-N 0 3 261.409 3.965 20 10 CHCDHN CCc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC001236788606 1131005897 /nfs/dbraw/zinc/00/58/97/1131005897.db2.gz PTJMJVHJYLWEJD-SAZUREKKSA-N 0 3 261.409 3.965 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c([O-])c1 ZINC000815598010 1131006242 /nfs/dbraw/zinc/00/62/42/1131006242.db2.gz KQPKOKNADFUWCT-PBHICJAKSA-N 0 3 293.451 3.703 20 10 CHCDHN CCc1ccc(CN(Cc2ccco2)C2CC2)c(O)c1 ZINC001236792803 1131008230 /nfs/dbraw/zinc/00/82/30/1131008230.db2.gz RNBFJHHBPDOWTM-UHFFFAOYSA-N 0 3 271.360 3.712 20 10 CHCDHN CCOCC(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000815626823 1131010561 /nfs/dbraw/zinc/01/05/61/1131010561.db2.gz MXWGXYLGEVVZBU-CQSZACIVSA-N 0 3 279.424 3.722 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c([O-])c1 ZINC000797876791 1131011770 /nfs/dbraw/zinc/01/17/70/1131011770.db2.gz GQPATRJQAYUYSA-QAQDUYKDSA-N 0 3 297.398 3.827 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001236806788 1131012649 /nfs/dbraw/zinc/01/26/49/1131012649.db2.gz BDMXJBCVYZOSEM-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001236806788 1131012654 /nfs/dbraw/zinc/01/26/54/1131012654.db2.gz BDMXJBCVYZOSEM-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)c([O-])c1 ZINC000815648132 1131017158 /nfs/dbraw/zinc/01/71/58/1131017158.db2.gz FKTGCNKSYMXWRN-GDBMZVCRSA-N 0 3 291.435 3.540 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001237042042 1131038790 /nfs/dbraw/zinc/03/87/90/1131038790.db2.gz DPWWKKQNAOAYEG-RHSMWYFYSA-N 0 3 289.419 3.946 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001237042042 1131038794 /nfs/dbraw/zinc/03/87/94/1131038794.db2.gz DPWWKKQNAOAYEG-RHSMWYFYSA-N 0 3 289.419 3.946 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c([O-])c1 ZINC001237050106 1131039796 /nfs/dbraw/zinc/03/97/96/1131039796.db2.gz YHAGSYULIPBAHT-AWEZNQCLSA-N 0 3 283.362 3.993 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c([O-])c1 ZINC001237050106 1131039803 /nfs/dbraw/zinc/03/98/03/1131039803.db2.gz YHAGSYULIPBAHT-AWEZNQCLSA-N 0 3 283.362 3.993 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CCC(n3ccnc3)CC2)c([O-])c1 ZINC001237049675 1131039895 /nfs/dbraw/zinc/03/98/95/1131039895.db2.gz RHYGEDFNWIOSOI-UHFFFAOYSA-N 0 3 299.418 3.549 20 10 CHCDHN CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H](C)C1 ZINC001237051515 1131040008 /nfs/dbraw/zinc/04/00/08/1131040008.db2.gz MKYPJHDSPMRPIK-BBRMVZONSA-N 0 3 277.408 3.515 20 10 CHCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2[O-])[C@@H](C)C1 ZINC001237051515 1131040015 /nfs/dbraw/zinc/04/00/15/1131040015.db2.gz MKYPJHDSPMRPIK-BBRMVZONSA-N 0 3 277.408 3.515 20 10 CHCDHN CCOc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)c([O-])c1 ZINC001237046221 1131040464 /nfs/dbraw/zinc/04/04/64/1131040464.db2.gz ZSMBPUUPUGTCNI-CHWSQXEVSA-N 0 3 263.381 3.554 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cc(O)cc2ccccc21 ZINC001237076284 1131044618 /nfs/dbraw/zinc/04/46/18/1131044618.db2.gz KYMSMMDAGSGVCE-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cc(O)cc2ccccc21 ZINC001237076284 1131044625 /nfs/dbraw/zinc/04/46/25/1131044625.db2.gz KYMSMMDAGSGVCE-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN CC[C@H](C)[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237115048 1131052255 /nfs/dbraw/zinc/05/22/55/1131052255.db2.gz DTEDDFPNHGVMJN-VIFPVBQESA-N 0 3 277.286 3.521 20 10 CHCDHN CC[C@H](C)[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237115048 1131052261 /nfs/dbraw/zinc/05/22/61/1131052261.db2.gz DTEDDFPNHGVMJN-VIFPVBQESA-N 0 3 277.286 3.521 20 10 CHCDHN C[N@H+](Cc1c([O-])cccc1OC(F)(F)F)C(C)(C)C ZINC001237111463 1131053156 /nfs/dbraw/zinc/05/31/56/1131053156.db2.gz PCNYCHRIDLMPDZ-UHFFFAOYSA-N 0 3 277.286 3.521 20 10 CHCDHN C[N@@H+](Cc1c([O-])cccc1OC(F)(F)F)C(C)(C)C ZINC001237111463 1131053162 /nfs/dbraw/zinc/05/31/62/1131053162.db2.gz PCNYCHRIDLMPDZ-UHFFFAOYSA-N 0 3 277.286 3.521 20 10 CHCDHN Cc1c(F)c(F)ccc1C[N@H+](C)Cc1ccccc1[O-] ZINC001237166599 1131064785 /nfs/dbraw/zinc/06/47/85/1131064785.db2.gz MNNAEPZSPNKNHE-UHFFFAOYSA-N 0 3 277.314 3.611 20 10 CHCDHN Cc1c(F)c(F)ccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC001237166599 1131064791 /nfs/dbraw/zinc/06/47/91/1131064791.db2.gz MNNAEPZSPNKNHE-UHFFFAOYSA-N 0 3 277.314 3.611 20 10 CHCDHN C[N@H+](Cc1ccco1)Cc1ccc2ccccc2c1[O-] ZINC000816482055 1131097844 /nfs/dbraw/zinc/09/78/44/1131097844.db2.gz STFUBBRLVRTOGQ-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[N@@H+](Cc1ccco1)Cc1ccc2ccccc2c1[O-] ZINC000816482055 1131097851 /nfs/dbraw/zinc/09/78/51/1131097851.db2.gz STFUBBRLVRTOGQ-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[N@H+](Cc1ccoc1)Cc1ccc2ccccc2c1[O-] ZINC000816495295 1131100421 /nfs/dbraw/zinc/10/04/21/1131100421.db2.gz RVJBRZLTYDBXBT-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[N@@H+](Cc1ccoc1)Cc1ccc2ccccc2c1[O-] ZINC000816495295 1131100424 /nfs/dbraw/zinc/10/04/24/1131100424.db2.gz RVJBRZLTYDBXBT-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001237492477 1131104985 /nfs/dbraw/zinc/10/49/85/1131104985.db2.gz RCRVVFUWUSUTKU-GASCZTMLSA-N 0 3 279.383 3.787 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001237492477 1131104988 /nfs/dbraw/zinc/10/49/88/1131104988.db2.gz RCRVVFUWUSUTKU-GASCZTMLSA-N 0 3 279.383 3.787 20 10 CHCDHN CCc1ccc([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC000816619388 1131116326 /nfs/dbraw/zinc/11/63/26/1131116326.db2.gz DQCLCNKBDXVQQN-QGZVFWFLSA-N 0 3 281.399 3.944 20 10 CHCDHN CCc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC000816619388 1131116328 /nfs/dbraw/zinc/11/63/28/1131116328.db2.gz DQCLCNKBDXVQQN-QGZVFWFLSA-N 0 3 281.399 3.944 20 10 CHCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[C@H](F)C1 ZINC001237641597 1131123946 /nfs/dbraw/zinc/12/39/46/1131123946.db2.gz UMHBLRKTGVSBQW-INIZCTEOSA-N 0 3 289.325 3.742 20 10 CHCDHN CC[C@@H](C)[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237681994 1131126847 /nfs/dbraw/zinc/12/68/47/1131126847.db2.gz VELCZKWJYABAMI-SNVBAGLBSA-N 0 3 286.213 3.693 20 10 CHCDHN CC[C@@H](C)[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237681994 1131126848 /nfs/dbraw/zinc/12/68/48/1131126848.db2.gz VELCZKWJYABAMI-SNVBAGLBSA-N 0 3 286.213 3.693 20 10 CHCDHN Cc1cc([O-])c(C[NH+]2C3CCC2CC3)cc1Br ZINC001237677671 1131126945 /nfs/dbraw/zinc/12/69/45/1131126945.db2.gz AXRCBAVFKIQMOV-UHFFFAOYSA-N 0 3 296.208 3.590 20 10 CHCDHN Cc1c(Cl)cccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC001237736823 1131134649 /nfs/dbraw/zinc/13/46/49/1131134649.db2.gz YHYFNXWXTPCIAG-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1c(Cl)cccc1C[N@H+](C)Cc1ccccc1[O-] ZINC001237736823 1131134653 /nfs/dbraw/zinc/13/46/53/1131134653.db2.gz YHYFNXWXTPCIAG-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1cc(F)cc(CN2CCC[C@H]2c2cccnc2)c1O ZINC001238058812 1131165329 /nfs/dbraw/zinc/16/53/29/1131165329.db2.gz WKJJRZYLNVCXLT-INIZCTEOSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)CCc2ccccc2F)c1[O-] ZINC001238066725 1131166848 /nfs/dbraw/zinc/16/68/48/1131166848.db2.gz JQFJGQDYBOMKJX-UHFFFAOYSA-N 0 3 291.341 3.653 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)CCc2ccccc2F)c1[O-] ZINC001238066725 1131166850 /nfs/dbraw/zinc/16/68/50/1131166850.db2.gz JQFJGQDYBOMKJX-UHFFFAOYSA-N 0 3 291.341 3.653 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1[O-] ZINC001238069049 1131167112 /nfs/dbraw/zinc/16/71/12/1131167112.db2.gz HQNCPWBZGYGPIB-UHFFFAOYSA-N 0 3 295.373 3.944 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1[O-] ZINC001238069049 1131167114 /nfs/dbraw/zinc/16/71/14/1131167114.db2.gz HQNCPWBZGYGPIB-UHFFFAOYSA-N 0 3 295.373 3.944 20 10 CHCDHN CCOc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1C ZINC001238077497 1131168285 /nfs/dbraw/zinc/16/82/85/1131168285.db2.gz RXHCKUXRXWPCKH-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCOc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1C ZINC001238077497 1131168289 /nfs/dbraw/zinc/16/82/89/1131168289.db2.gz RXHCKUXRXWPCKH-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC2(O)CCC2)c1[O-] ZINC000817587461 1131174191 /nfs/dbraw/zinc/17/41/91/1131174191.db2.gz XYYWJYRGTQVLMJ-LBPRGKRZSA-N 0 3 297.826 3.700 20 10 CHCDHN Cc1cc(CN2CCc3cccc(O)c3C2)cnc1C1CC1 ZINC001238622938 1131224286 /nfs/dbraw/zinc/22/42/86/1131224286.db2.gz GFFVYMCIBUOBSH-UHFFFAOYSA-N 0 3 294.398 3.531 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171012193 1131419326 /nfs/dbraw/zinc/41/93/26/1131419326.db2.gz GSTHNDDZCTZGJW-CQSZACIVSA-N 0 3 287.790 3.693 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c([O-])c1 ZINC000824544373 1131475250 /nfs/dbraw/zinc/47/52/50/1131475250.db2.gz VZYNKRUJGJYCLJ-ZDUSSCGKSA-N 0 3 299.361 3.706 20 10 CHCDHN C[C@H](CCCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824603147 1131476115 /nfs/dbraw/zinc/47/61/15/1131476115.db2.gz LIYLRIIHBDLYIM-OAHLLOKOSA-N 0 3 299.414 3.557 20 10 CHCDHN CC1(C)OCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824625222 1131478110 /nfs/dbraw/zinc/47/81/10/1131478110.db2.gz HCAVTPZPADRXON-GOSISDBHSA-N 0 3 297.398 3.716 20 10 CHCDHN Cc1c(CN2CCC(F)(F)CC2)c2ccccc2n1C ZINC001138252767 1131482582 /nfs/dbraw/zinc/48/25/82/1131482582.db2.gz TWBAUISWPWSETE-UHFFFAOYSA-N 0 3 278.346 3.718 20 10 CHCDHN Cc1csc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000824750045 1131483806 /nfs/dbraw/zinc/48/38/06/1131483806.db2.gz BNZOORGXRYDPKU-UHFFFAOYSA-N 0 3 278.396 3.551 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@](C)(OC)c1ccccc1)c1ccccc1[O-] ZINC000824780327 1131484071 /nfs/dbraw/zinc/48/40/71/1131484071.db2.gz KMYRLARPSHJOKL-IEBWSBKVSA-N 0 3 299.414 3.995 20 10 CHCDHN CC[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccccc1[O-] ZINC000825143601 1131499815 /nfs/dbraw/zinc/49/98/15/1131499815.db2.gz GXYYGOFFVYACMG-YIZWMMSDSA-N 0 3 299.361 3.983 20 10 CHCDHN COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000825321978 1131506274 /nfs/dbraw/zinc/50/62/74/1131506274.db2.gz TYIPKVXEYXMKPF-ZDUSSCGKSA-N 0 3 297.826 3.603 20 10 CHCDHN COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000825321978 1131506278 /nfs/dbraw/zinc/50/62/78/1131506278.db2.gz TYIPKVXEYXMKPF-ZDUSSCGKSA-N 0 3 297.826 3.603 20 10 CHCDHN COc1ccccc1CN(C)Cc1c(C)ccc(C)c1O ZINC001140180350 1131672984 /nfs/dbraw/zinc/67/29/84/1131672984.db2.gz VNNMHBQPBOLIQX-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2cccc(C)c2F)c1 ZINC000845972549 1131673528 /nfs/dbraw/zinc/67/35/28/1131673528.db2.gz RQISXSSMDXNSCC-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCc3cccc(O)c32)o1 ZINC000834518166 1131681229 /nfs/dbraw/zinc/68/12/29/1131681229.db2.gz DYAWEPAUVMCXLD-DFBGVHRSSA-N 0 3 283.371 3.886 20 10 CHCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000834566411 1131684430 /nfs/dbraw/zinc/68/44/30/1131684430.db2.gz MOVKAHZKJXYPHX-MLGOLLRUSA-N 0 3 285.362 3.912 20 10 CHCDHN Cc1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834654504 1131691102 /nfs/dbraw/zinc/69/11/02/1131691102.db2.gz OOMVFAMKVFEXTI-INIZCTEOSA-N 0 3 267.372 3.520 20 10 CHCDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1CCCCO1 ZINC000834680626 1131693510 /nfs/dbraw/zinc/69/35/10/1131693510.db2.gz CYDLMTYWJCUSEO-GOEBONIOSA-N 0 3 289.419 3.564 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)CC2 ZINC000834693477 1131694135 /nfs/dbraw/zinc/69/41/35/1131694135.db2.gz OWSOUMZZFFBLED-MAUKXSAKSA-N 0 3 280.371 3.515 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)c([O-])c1 ZINC000846187844 1131697919 /nfs/dbraw/zinc/69/79/19/1131697919.db2.gz LPSNANGIFPGXFU-DOXZYTNZSA-N 0 3 299.414 3.647 20 10 CHCDHN CCC[C@@H](C[NH2+][C@@H](CC)c1ccc(C)cc1[O-])OC ZINC000834841500 1131710923 /nfs/dbraw/zinc/71/09/23/1131710923.db2.gz VAJDUNGWAGYZDM-ZFWWWQNUSA-N 0 3 265.397 3.556 20 10 CHCDHN CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])Cc1ccccc1 ZINC000834856651 1131712839 /nfs/dbraw/zinc/71/28/39/1131712839.db2.gz SVIPGLOHAGDMEO-WBVHZDCISA-N 0 3 299.414 3.609 20 10 CHCDHN CO[C@@](C)(C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000834885074 1131718459 /nfs/dbraw/zinc/71/84/59/1131718459.db2.gz SVWLEXSMWYOCGY-KSSFIOAISA-N 0 3 285.387 3.605 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000834886216 1131718645 /nfs/dbraw/zinc/71/86/45/1131718645.db2.gz QXKSNJNGMKIPTJ-HDMKZQKVSA-N 0 3 291.435 3.802 20 10 CHCDHN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(C)cc1O ZINC000834895823 1131720982 /nfs/dbraw/zinc/72/09/82/1131720982.db2.gz RVIDWFLDJIOEBP-SNPRPXQTSA-N 0 3 285.391 3.644 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccccc1[O-] ZINC000834911521 1131731346 /nfs/dbraw/zinc/73/13/46/1131731346.db2.gz TZZJOKHSOYTWCN-UKRRQHHQSA-N 0 3 277.408 3.638 20 10 CHCDHN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834914824 1131733808 /nfs/dbraw/zinc/73/38/08/1131733808.db2.gz WRJBXAFMAFJKPM-BPGGGUHBSA-N 0 3 293.382 3.627 20 10 CHCDHN CC(C)O[C@H](C[N@H+](C)Cc1ccccc1[O-])c1ccccc1 ZINC000794412482 1131919667 /nfs/dbraw/zinc/91/96/67/1131919667.db2.gz PJMPKRWVLJCZEA-LJQANCHMSA-N 0 3 299.414 3.990 20 10 CHCDHN CC(C)O[C@H](C[N@@H+](C)Cc1ccccc1[O-])c1ccccc1 ZINC000794412482 1131919672 /nfs/dbraw/zinc/91/96/72/1131919672.db2.gz PJMPKRWVLJCZEA-LJQANCHMSA-N 0 3 299.414 3.990 20 10 CHCDHN COc1ccc([C@H](C)[N@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140951009 1131971260 /nfs/dbraw/zinc/97/12/60/1131971260.db2.gz SXUSIZUJDZCWRZ-AWEZNQCLSA-N 0 3 285.387 3.902 20 10 CHCDHN COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140951009 1131971261 /nfs/dbraw/zinc/97/12/61/1131971261.db2.gz SXUSIZUJDZCWRZ-AWEZNQCLSA-N 0 3 285.387 3.902 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ccns2)c1 ZINC000715964029 1131999855 /nfs/dbraw/zinc/99/98/55/1131999855.db2.gz CLEYIIDOCHDEFG-QWRGUYRKSA-N 0 3 262.378 3.569 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1C[C@H]3CC[C@@H](C1)S3)CC2 ZINC000716059072 1132003816 /nfs/dbraw/zinc/00/38/16/1132003816.db2.gz IDMXPWXMKNODKX-CHEQUFIKSA-N 0 3 289.444 3.643 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CSc2ccccc2C1)c1ccccc1[O-] ZINC001172188749 1132137360 /nfs/dbraw/zinc/13/73/60/1132137360.db2.gz WDEDXLPGOVMSFL-OCCSQVGLSA-N 0 3 285.412 3.760 20 10 CHCDHN COCC1(C)C[NH+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000839145562 1132184687 /nfs/dbraw/zinc/18/46/87/1132184687.db2.gz OEWWZJATCMIWNN-UHFFFAOYSA-N 0 3 297.398 3.528 20 10 CHCDHN C[N@H+](Cc1coc2ccc(F)cc12)Cc1ccccc1[O-] ZINC001141856728 1132258389 /nfs/dbraw/zinc/25/83/89/1132258389.db2.gz NUIPWYCTKXKSIW-UHFFFAOYSA-N 0 3 285.318 3.910 20 10 CHCDHN C[N@@H+](Cc1coc2ccc(F)cc12)Cc1ccccc1[O-] ZINC001141856728 1132258391 /nfs/dbraw/zinc/25/83/91/1132258391.db2.gz NUIPWYCTKXKSIW-UHFFFAOYSA-N 0 3 285.318 3.910 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccnc2ccccc12 ZINC001204090757 1132273702 /nfs/dbraw/zinc/27/37/02/1132273702.db2.gz LZKXSGOKAPOWKP-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccnc2ccccc12 ZINC001204090757 1132273710 /nfs/dbraw/zinc/27/37/10/1132273710.db2.gz LZKXSGOKAPOWKP-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000840821581 1132291020 /nfs/dbraw/zinc/29/10/20/1132291020.db2.gz OGWVFPQEUJQLMT-HONMWMINSA-N 0 3 283.799 3.572 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)C1(OC)CCC1)c1ccc(C)cc1[O-] ZINC000840883911 1132302704 /nfs/dbraw/zinc/30/27/04/1132302704.db2.gz HDLCQBRRDONMCR-DZGCQCFKSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccccc1[O-] ZINC000840891060 1132303742 /nfs/dbraw/zinc/30/37/42/1132303742.db2.gz FJBJRFDOVDQYGV-MRXNPFEDSA-N 0 3 284.403 3.806 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(F)ccc1[O-] ZINC000840890641 1132304709 /nfs/dbraw/zinc/30/47/09/1132304709.db2.gz CCRPLPUSWRSIJO-LBPRGKRZSA-N 0 3 288.366 3.555 20 10 CHCDHN Cc1cc(N(C)C)ccc1CNC1(c2ccc(F)cc2)CC1 ZINC000840934555 1132309352 /nfs/dbraw/zinc/30/93/52/1132309352.db2.gz SNOCFCGXDJVJOJ-UHFFFAOYSA-N 0 3 298.405 3.979 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1c2ccccc2O[C@H]1C ZINC000840947209 1132312340 /nfs/dbraw/zinc/31/23/40/1132312340.db2.gz RCOOFSDQYWFIBR-IFXJQAMLSA-N 0 3 296.414 3.673 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1c2ccccc2O[C@H]1C ZINC000840947213 1132312411 /nfs/dbraw/zinc/31/24/11/1132312411.db2.gz RCOOFSDQYWFIBR-LIRRHRJNSA-N 0 3 296.414 3.673 20 10 CHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H]2CCC[C@H]21 ZINC001231853975 1132377926 /nfs/dbraw/zinc/37/79/26/1132377926.db2.gz VOAPIPIECUUKJT-RHSMWYFYSA-N 0 3 288.435 3.526 20 10 CHCDHN CC[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)OC ZINC000842149094 1132410879 /nfs/dbraw/zinc/41/08/79/1132410879.db2.gz VZHOYHLROIYPME-INIZCTEOSA-N 0 3 277.408 3.562 20 10 CHCDHN CC[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)OC ZINC000842149094 1132410883 /nfs/dbraw/zinc/41/08/83/1132410883.db2.gz VZHOYHLROIYPME-INIZCTEOSA-N 0 3 277.408 3.562 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccnc2c(F)cccc12 ZINC001232211340 1132437570 /nfs/dbraw/zinc/43/75/70/1132437570.db2.gz CQFZZQMDCFDQII-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccnc2c(F)cccc12 ZINC001232211340 1132437576 /nfs/dbraw/zinc/43/75/76/1132437576.db2.gz CQFZZQMDCFDQII-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN Cc1ccccc1C1(NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000842732468 1132455226 /nfs/dbraw/zinc/45/52/26/1132455226.db2.gz KVXMBTAIIOENLF-UHFFFAOYSA-N 0 3 298.405 3.979 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)c1[O-] ZINC000842928826 1132478078 /nfs/dbraw/zinc/47/80/78/1132478078.db2.gz LTXWLLBKQZJTDO-OPQQBVKSSA-N 0 3 285.840 3.899 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1ccnc(Cl)c1C ZINC001232758441 1132516988 /nfs/dbraw/zinc/51/69/88/1132516988.db2.gz YGBVHUWIXZDHME-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1ccnc(Cl)c1C ZINC001232758441 1132516995 /nfs/dbraw/zinc/51/69/95/1132516995.db2.gz YGBVHUWIXZDHME-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC(C)(C)c1ccc(O)c(CN2CC3(C2)CC(F)(F)C3)c1 ZINC001233284122 1132594767 /nfs/dbraw/zinc/59/47/67/1132594767.db2.gz JLWWDAPLMPGBTR-UHFFFAOYSA-N 0 3 295.373 3.921 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001233288003 1132598183 /nfs/dbraw/zinc/59/81/83/1132598183.db2.gz RARWCJXRHNXHJH-NWDGAFQWSA-N 0 3 295.810 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001233288003 1132598189 /nfs/dbraw/zinc/59/81/89/1132598189.db2.gz RARWCJXRHNXHJH-NWDGAFQWSA-N 0 3 295.810 3.676 20 10 CHCDHN CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001203558699 1133340469 /nfs/dbraw/zinc/34/04/69/1133340469.db2.gz WSJIPFJTPAFAJE-UHFFFAOYSA-N 0 3 259.324 3.553 20 10 CHCDHN CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC001203558699 1133340472 /nfs/dbraw/zinc/34/04/72/1133340472.db2.gz WSJIPFJTPAFAJE-UHFFFAOYSA-N 0 3 259.324 3.553 20 10 CHCDHN CC[N@H+](Cc1cc(C)c(C)o1)Cc1ccccc1[O-] ZINC001204539271 1133459344 /nfs/dbraw/zinc/45/93/44/1133459344.db2.gz NALYRWFQSNCARV-UHFFFAOYSA-N 0 3 259.349 3.624 20 10 CHCDHN CC[N@@H+](Cc1cc(C)c(C)o1)Cc1ccccc1[O-] ZINC001204539271 1133459349 /nfs/dbraw/zinc/45/93/49/1133459349.db2.gz NALYRWFQSNCARV-UHFFFAOYSA-N 0 3 259.349 3.624 20 10 CHCDHN Cc1ncsc1CN(C)Cc1cc(C(C)C)ccc1O ZINC001204790576 1133485298 /nfs/dbraw/zinc/48/52/98/1133485298.db2.gz NPCDNXKMRPNIGJ-UHFFFAOYSA-N 0 3 290.432 3.913 20 10 CHCDHN Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2C)o1 ZINC001205185661 1133543206 /nfs/dbraw/zinc/54/32/06/1133543206.db2.gz PTYVBILQLWTPMC-UHFFFAOYSA-N 0 3 272.392 3.594 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)c1[O-] ZINC001206040163 1133646533 /nfs/dbraw/zinc/64/65/33/1133646533.db2.gz OORXHPARJOLGLL-OAHLLOKOSA-N 0 3 297.826 3.921 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)c1[O-] ZINC001206040163 1133646534 /nfs/dbraw/zinc/64/65/34/1133646534.db2.gz OORXHPARJOLGLL-OAHLLOKOSA-N 0 3 297.826 3.921 20 10 CHCDHN COc1cc(Cl)cc(CN2CC(C)(C)[C@H]2C(C)C)c1O ZINC001206040163 1133646536 /nfs/dbraw/zinc/64/65/36/1133646536.db2.gz OORXHPARJOLGLL-OAHLLOKOSA-N 0 3 297.826 3.921 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCCCCOc1ccccc1)C2 ZINC001207243344 1133782474 /nfs/dbraw/zinc/78/24/74/1133782474.db2.gz JQJBFBXJDNMQAB-UHFFFAOYSA-N 0 3 297.398 3.957 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCCCCOc1ccccc1)C2 ZINC001207243344 1133782480 /nfs/dbraw/zinc/78/24/80/1133782480.db2.gz JQJBFBXJDNMQAB-UHFFFAOYSA-N 0 3 297.398 3.957 20 10 CHCDHN CC[N@H+](CCCc1ccc(C)o1)Cc1ccccc1[O-] ZINC001207952060 1133870686 /nfs/dbraw/zinc/87/06/86/1133870686.db2.gz IKAKESSPMBTBRR-UHFFFAOYSA-N 0 3 273.376 3.748 20 10 CHCDHN CC[N@@H+](CCCc1ccc(C)o1)Cc1ccccc1[O-] ZINC001207952060 1133870692 /nfs/dbraw/zinc/87/06/92/1133870692.db2.gz IKAKESSPMBTBRR-UHFFFAOYSA-N 0 3 273.376 3.748 20 10 CHCDHN Cc1ccoc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000312869632 1135136054 /nfs/dbraw/zinc/13/60/54/1135136054.db2.gz UAMXUMWBHZQOBI-STQMWFEESA-N 0 3 271.360 3.940 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000020122033 171002022 /nfs/dbraw/zinc/00/20/22/171002022.db2.gz NOMRHAPEOJGYNU-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN COc1ccc(O)c(CN[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000020122033 171002023 /nfs/dbraw/zinc/00/20/23/171002023.db2.gz NOMRHAPEOJGYNU-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cccc(Cl)c1 ZINC000020124194 171006290 /nfs/dbraw/zinc/00/62/90/171006290.db2.gz DXNSGRWPGBZKCU-LLVKDONJSA-N 0 3 261.752 3.896 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000020126369 171010300 /nfs/dbraw/zinc/01/03/00/171010300.db2.gz OICYUGLQFFLLSF-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2cccc(F)c2)c1 ZINC000020147929 171035425 /nfs/dbraw/zinc/03/54/25/171035425.db2.gz VAZVUEIAJBPOMY-NEPJUHHUSA-N 0 3 289.350 3.952 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000020147929 171035427 /nfs/dbraw/zinc/03/54/27/171035427.db2.gz VAZVUEIAJBPOMY-NEPJUHHUSA-N 0 3 289.350 3.952 20 10 CHCDHN CCOc1cccc(CN[C@@H]2CCCc3occc32)c1O ZINC000020204321 171069608 /nfs/dbraw/zinc/06/96/08/171069608.db2.gz SHYPWPQRMUKKTG-CQSZACIVSA-N 0 3 287.359 3.551 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@H](C)c2ccccn2)c1 ZINC000035628782 172307988 /nfs/dbraw/zinc/30/79/88/172307988.db2.gz JIVMJJFNBNQFQW-QWHCGFSZSA-N 0 3 256.349 3.507 20 10 CHCDHN COc1cccc(C2(NCc3cc(C)c(C)cc3O)CC2)c1 ZINC000150910806 260975682 /nfs/dbraw/zinc/97/56/82/260975682.db2.gz OJIKNCXRVOCLSL-UHFFFAOYSA-N 0 3 297.398 3.797 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccccc1[O-] ZINC000155696750 261106157 /nfs/dbraw/zinc/10/61/57/261106157.db2.gz SMQOYOFOKPKQDN-CVEARBPZSA-N 0 3 283.371 3.826 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])c1ccncc1 ZINC000156002423 261111308 /nfs/dbraw/zinc/11/13/08/261111308.db2.gz PPAGKJMBFCLIPT-CVEARBPZSA-N 0 3 270.376 3.979 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1)c1ccccc1[O-] ZINC000156861871 261134144 /nfs/dbraw/zinc/13/41/44/261134144.db2.gz JWAYUQBKWXXYTF-KRWDZBQOSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCOC2CCCC2)c1 ZINC000185240519 262047811 /nfs/dbraw/zinc/04/78/11/262047811.db2.gz YRPVUANDBRPCAP-AWEZNQCLSA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185501738 262057042 /nfs/dbraw/zinc/05/70/42/262057042.db2.gz TVWSZVLNEBLQAA-VXGBXAGGSA-N 0 3 288.391 3.587 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186158044 262082907 /nfs/dbraw/zinc/08/29/07/262082907.db2.gz PESAFQVXBDRGKM-NWDGAFQWSA-N 0 3 288.391 3.760 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCc2sccc21 ZINC000185643114 262305135 /nfs/dbraw/zinc/30/51/35/262305135.db2.gz FSRJVTUPCVWPJF-ZDUSSCGKSA-N 0 3 277.364 3.760 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2nccs2)c([O-])c1 ZINC000186743670 262322975 /nfs/dbraw/zinc/32/29/75/262322975.db2.gz ASYWDNLUZGAPPW-NWDGAFQWSA-N 0 3 276.405 3.611 20 10 CHCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCOC1 ZINC000266149683 262914500 /nfs/dbraw/zinc/91/45/00/262914500.db2.gz JZRHMFVKZXNGGZ-PBHICJAKSA-N 0 3 297.398 3.574 20 10 CHCDHN Cc1cccc(CNC(C)(C)c2ccccc2F)c1O ZINC000292718637 263134159 /nfs/dbraw/zinc/13/41/59/263134159.db2.gz DYPBWTRLIGFHIF-UHFFFAOYSA-N 0 3 273.351 3.865 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3c1cccc3F)CC2 ZINC000297946380 263212959 /nfs/dbraw/zinc/21/29/59/263212959.db2.gz YJACGXTVUACNFI-CVEARBPZSA-N 0 3 283.346 3.796 20 10 CHCDHN COc1cccc(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000370560413 267328356 /nfs/dbraw/zinc/32/83/56/267328356.db2.gz YODKBIVPKCSAAH-XOKHGSTOSA-N 0 3 297.398 3.683 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccncc1 ZINC000185541877 327840656 /nfs/dbraw/zinc/84/06/56/327840656.db2.gz SRAKESJUTGGJFD-XHDPSFHLSA-N 0 3 274.339 3.728 20 10 CHCDHN Cc1cc(C)c([C@@H](C)NCc2ccc(Cl)cn2)c(O)c1 ZINC000285258828 328247603 /nfs/dbraw/zinc/24/76/03/328247603.db2.gz QGGUBHRFITZPRH-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000090339506 327094112 /nfs/dbraw/zinc/09/41/12/327094112.db2.gz MBTJCKHUELCVNA-CHWSQXEVSA-N 0 3 271.360 3.813 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000527749723 330280942 /nfs/dbraw/zinc/28/09/42/330280942.db2.gz PMSOONDLKNIQCM-BPQIPLTHSA-N 0 3 299.801 3.782 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527858087 330288987 /nfs/dbraw/zinc/28/89/87/330288987.db2.gz ORACIJHKYPBFBL-HNNXBMFYSA-N 0 3 291.753 3.962 20 10 CHCDHN CC(C)n1ncc2c1[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CCC2 ZINC000364882162 520079492 /nfs/dbraw/zinc/07/94/92/520079492.db2.gz KNAYBMFJKVPRCI-XJKSGUPXSA-N 0 3 299.418 3.898 20 10 CHCDHN CCOCc1ccccc1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000071408039 520214204 /nfs/dbraw/zinc/21/42/04/520214204.db2.gz KZNJDMABEHYJJQ-UHFFFAOYSA-N 0 3 285.387 3.527 20 10 CHCDHN CCCCN1CCC([NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000037150146 520576156 /nfs/dbraw/zinc/57/61/56/520576156.db2.gz DLWBCTWYZFUOQO-KRWDZBQOSA-N 0 3 290.451 3.697 20 10 CHCDHN CCOc1ccc(O)c(CN[C@H]2CCCc3occc32)c1 ZINC000237092711 521153830 /nfs/dbraw/zinc/15/38/30/521153830.db2.gz AKAHIWCBVRNWSV-HNNXBMFYSA-N 0 3 287.359 3.551 20 10 CHCDHN CCN(Cc1cc(C)c(C)cc1O)[C@@H](C)c1cccnc1 ZINC000290656203 521287242 /nfs/dbraw/zinc/28/72/42/521287242.db2.gz ZJAIZEKOEOIVQA-HNNXBMFYSA-N 0 3 284.403 3.987 20 10 CHCDHN CC[N@H+](Cc1cc(C)c(C)cc1[O-])[C@@H](C)c1cccnc1 ZINC000290656203 521287251 /nfs/dbraw/zinc/28/72/51/521287251.db2.gz ZJAIZEKOEOIVQA-HNNXBMFYSA-N 0 3 284.403 3.987 20 10 CHCDHN CC[N@@H+](Cc1cc(C)c(C)cc1[O-])[C@@H](C)c1cccnc1 ZINC000290656203 521287260 /nfs/dbraw/zinc/28/72/60/521287260.db2.gz ZJAIZEKOEOIVQA-HNNXBMFYSA-N 0 3 284.403 3.987 20 10 CHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000290425154 521293796 /nfs/dbraw/zinc/29/37/96/521293796.db2.gz KZJKJHPXDNBAAR-LBPRGKRZSA-N 0 3 274.339 3.509 20 10 CHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000290425154 521293825 /nfs/dbraw/zinc/29/38/25/521293825.db2.gz KZJKJHPXDNBAAR-LBPRGKRZSA-N 0 3 274.339 3.509 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000037679526 521374378 /nfs/dbraw/zinc/37/43/78/521374378.db2.gz WCXWFCRLYYPWNG-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN CCc1cnc(CN[C@@H](CC)c2ccc(C)cc2O)s1 ZINC000279950039 522039678 /nfs/dbraw/zinc/03/96/78/522039678.db2.gz BTDYPUKYOBDQNJ-AWEZNQCLSA-N 0 3 290.432 3.960 20 10 CHCDHN CC[C@H](NCc1cn2ccc(C)cc2n1)c1ccccc1O ZINC000274912183 522662466 /nfs/dbraw/zinc/66/24/66/522662466.db2.gz NKXSPBJGQCMAAY-INIZCTEOSA-N 0 3 295.386 3.589 20 10 CHCDHN CC[C@H](NCc1nc(C)cs1)c1ccc(C)cc1O ZINC000280003406 522671085 /nfs/dbraw/zinc/67/10/85/522671085.db2.gz GDRWEBOWQPCEPR-ZDUSSCGKSA-N 0 3 276.405 3.706 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(C)cc1[O-] ZINC000280009299 522711406 /nfs/dbraw/zinc/71/14/06/522711406.db2.gz GPCHNJCGRROHCP-OCCSQVGLSA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@@H]([NH2+]CC1CCSCC1)c1ccc(C)cc1[O-] ZINC000280065776 522823777 /nfs/dbraw/zinc/82/37/77/522823777.db2.gz KRAYTONFILKSDE-OAHLLOKOSA-N 0 3 279.449 3.885 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccccc1[O-] ZINC000289846616 522856649 /nfs/dbraw/zinc/85/66/49/522856649.db2.gz BBSPWPUSPVSTJL-CZUORRHYSA-N 0 3 283.371 3.609 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(C)cc1[O-] ZINC000291301164 522859830 /nfs/dbraw/zinc/85/98/30/522859830.db2.gz SKVIQRLRVNTEOW-NVXWUHKLSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(C)cc1[O-] ZINC000280092288 522879713 /nfs/dbraw/zinc/87/97/13/522879713.db2.gz MOGJZXKEMYQZOT-MRXNPFEDSA-N 0 3 271.360 3.647 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])c1ccccc1 ZINC000051626383 522882519 /nfs/dbraw/zinc/88/25/19/522882519.db2.gz FAZSBRITBQAUNI-OAHLLOKOSA-N 0 3 271.360 3.642 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(C)cc1[O-] ZINC000280119781 522913151 /nfs/dbraw/zinc/91/31/51/522913151.db2.gz OGQHVEPLVUHBEE-DZGCQCFKSA-N 0 3 270.376 3.898 20 10 CHCDHN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000036961158 523853079 /nfs/dbraw/zinc/85/30/79/523853079.db2.gz XQNVCDPMAPHTQA-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000277252227 524728255 /nfs/dbraw/zinc/72/82/55/524728255.db2.gz AHOJEAGKOMCLCQ-KSSFIOAISA-N 0 3 297.398 3.574 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000050225149 524764507 /nfs/dbraw/zinc/76/45/07/524764507.db2.gz LCTIVRXSUJGLAL-LLVKDONJSA-N 0 3 277.389 3.622 20 10 CHCDHN C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000049154512 524941797 /nfs/dbraw/zinc/94/17/97/524941797.db2.gz BKRMWDVAUHISKD-RYUDHWBXSA-N 0 3 261.390 3.736 20 10 CHCDHN C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)c2ccccc2O1 ZINC000295100750 525266907 /nfs/dbraw/zinc/26/69/07/525266907.db2.gz SSUQUENTNHWDSC-RDTXWAMCSA-N 0 3 296.414 3.755 20 10 CHCDHN Cc1ccc(O)c(CNC2(c3ccccc3F)CC2)c1 ZINC000076766956 525346071 /nfs/dbraw/zinc/34/60/71/525346071.db2.gz VSGFTKYKTCJNEZ-UHFFFAOYSA-N 0 3 271.335 3.619 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)c2cccc(F)c2)c1 ZINC000076902060 525346955 /nfs/dbraw/zinc/34/69/55/525346955.db2.gz ZUUJCNATCUVQLB-UHFFFAOYSA-N 0 3 273.351 3.865 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000071407672 525351908 /nfs/dbraw/zinc/35/19/08/525351908.db2.gz HMHIGFIZFAUOPZ-SFHVURJKSA-N 0 3 267.372 3.942 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000071406622 525353550 /nfs/dbraw/zinc/35/35/50/525353550.db2.gz SCLQZSMLECNOQI-UHFFFAOYSA-N 0 3 293.313 3.592 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000037718997 525364095 /nfs/dbraw/zinc/36/40/95/525364095.db2.gz KFCBEAGDRDQBMG-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000280699183 525637907 /nfs/dbraw/zinc/63/79/07/525637907.db2.gz CCRZKXUMJNLOMT-BPUTZDHNSA-N 0 3 267.372 3.989 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccccc1[O-] ZINC000188053072 525688198 /nfs/dbraw/zinc/68/81/98/525688198.db2.gz FPJBANFGHHZTDK-ABAIWWIYSA-N 0 3 287.334 3.706 20 10 CHCDHN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(N(C)C)cc1 ZINC000130334182 525691370 /nfs/dbraw/zinc/69/13/70/525691370.db2.gz YHOIYGFUROTYOK-ACJLOTCBSA-N 0 3 296.414 3.796 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000289539734 526345328 /nfs/dbraw/zinc/34/53/28/526345328.db2.gz WRXZJYFHAGWCQK-UHFFFAOYSA-N 0 3 283.371 3.510 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000289539734 526345331 /nfs/dbraw/zinc/34/53/31/526345331.db2.gz WRXZJYFHAGWCQK-UHFFFAOYSA-N 0 3 283.371 3.510 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000279936487 526374564 /nfs/dbraw/zinc/37/45/64/526374564.db2.gz YMHSRCOTQQERMV-MRXNPFEDSA-N 0 3 271.335 3.699 20 10 CHCDHN Clc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000048400259 526976381 /nfs/dbraw/zinc/97/63/81/526976381.db2.gz APIUZKCRNGALSB-UHFFFAOYSA-N 0 3 273.763 3.565 20 10 CHCDHN Cc1cc(CNCc2ccc(N(C)C)cc2C)cs1 ZINC000823848274 1131444396 /nfs/dbraw/zinc/44/43/96/1131444396.db2.gz RMYUZQIGOHDVEI-UHFFFAOYSA-N 0 3 274.433 3.721 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000133919000 1125505802 /nfs/dbraw/zinc/50/58/02/1125505802.db2.gz GGHIQFYLOWWCQX-UHFFFAOYSA-N 0 3 259.393 3.939 20 10 CHCDHN C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000776014050 1123034879 /nfs/dbraw/zinc/03/48/79/1123034879.db2.gz QGVSAHASFPGBQN-JQWIXIFHSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccccc1[O-] ZINC000776014050 1123034884 /nfs/dbraw/zinc/03/48/84/1123034884.db2.gz QGVSAHASFPGBQN-JQWIXIFHSA-N 0 3 273.298 3.555 20 10 CHCDHN CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CS1 ZINC000877758124 1125073717 /nfs/dbraw/zinc/07/37/17/1125073717.db2.gz JRPUOBGIXFNZLH-ZOWXZIJZSA-N 0 3 265.422 3.573 20 10 CHCDHN C[C@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC001140056395 1131659489 /nfs/dbraw/zinc/65/94/89/1131659489.db2.gz VCNQFWWOCRLICN-YEORSEQZSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC001140056395 1131659491 /nfs/dbraw/zinc/65/94/91/1131659491.db2.gz VCNQFWWOCRLICN-YEORSEQZSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1[O-] ZINC000282753119 1131892783 /nfs/dbraw/zinc/89/27/83/1131892783.db2.gz NUZSSLRJUNBSIV-NWDGAFQWSA-N 0 3 269.335 3.868 20 10 CHCDHN COc1cccc([C@H](C)NCc2cscc2Cl)c1O ZINC000886657905 1125704576 /nfs/dbraw/zinc/70/45/76/1125704576.db2.gz IAPXLWXOKGVLAQ-VIFPVBQESA-N 0 3 297.807 3.967 20 10 CHCDHN CC[C@@](C)(NCc1cc(C)ccc1O)c1nc(C)cs1 ZINC000174505910 1126770712 /nfs/dbraw/zinc/77/07/12/1126770712.db2.gz PDZUEPJJYIBXPC-MRXNPFEDSA-N 0 3 290.432 3.881 20 10 CHCDHN C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cc(F)ccc1[O-] ZINC000903323840 1126800475 /nfs/dbraw/zinc/80/04/75/1126800475.db2.gz LREIHRFQYRPVEN-BLQFLSLASA-N 0 3 293.382 3.530 20 10 CHCDHN C[C@@H](c1cccs1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179935604 1126836538 /nfs/dbraw/zinc/83/65/38/1126836538.db2.gz PKFXDMQKKHZUSV-JTQLQIEISA-N 0 3 265.353 3.786 20 10 CHCDHN C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179935604 1126836541 /nfs/dbraw/zinc/83/65/41/1126836541.db2.gz PKFXDMQKKHZUSV-JTQLQIEISA-N 0 3 265.353 3.786 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000183430134 1126886957 /nfs/dbraw/zinc/88/69/57/1126886957.db2.gz RWKWQCXUAWUNAZ-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1csc(CCCC[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000183485570 1126887754 /nfs/dbraw/zinc/88/77/54/1126887754.db2.gz XLFWIPYFQAKDSO-CYBMUJFWSA-N 0 3 290.432 3.831 20 10 CHCDHN COCc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1F ZINC000183521213 1126888001 /nfs/dbraw/zinc/88/80/01/1126888001.db2.gz WJNBAWHNEOKACE-GFCCVEGCSA-N 0 3 289.350 3.529 20 10 CHCDHN C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587354 1126889804 /nfs/dbraw/zinc/88/98/04/1126889804.db2.gz FQERAZBIWBLTRS-QWQRMKEZSA-N 0 3 285.387 3.555 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2cn3c(cccc3C)n2)c1 ZINC000185412388 1126899344 /nfs/dbraw/zinc/89/93/44/1126899344.db2.gz GYQOTCVJKPIETN-AWEZNQCLSA-N 0 3 295.386 3.508 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000191858025 1126956118 /nfs/dbraw/zinc/95/61/18/1126956118.db2.gz HHAGINHHUYLNIW-QOKNQOGYSA-N 0 3 297.398 3.821 20 10 CHCDHN CCO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000193434419 1126969254 /nfs/dbraw/zinc/96/92/54/1126969254.db2.gz NEJCPWXKBJRSHE-RDTXWAMCSA-N 0 3 285.387 3.821 20 10 CHCDHN COC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271032977 1127065667 /nfs/dbraw/zinc/06/56/67/1127065667.db2.gz IIIRCZFWZIMMJN-UHFFFAOYSA-N 0 3 297.398 3.670 20 10 CHCDHN COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CCO2 ZINC000274413177 1127118577 /nfs/dbraw/zinc/11/85/77/1127118577.db2.gz SGQQHAUKBQBIMW-LRDDRELGSA-N 0 3 299.370 3.575 20 10 CHCDHN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC001237686835 1131127073 /nfs/dbraw/zinc/12/70/73/1131127073.db2.gz QAZNXMGVZXECAD-CQSZACIVSA-N 0 3 297.826 3.743 20 10 CHCDHN COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC001237686835 1131127075 /nfs/dbraw/zinc/12/70/75/1131127075.db2.gz QAZNXMGVZXECAD-CQSZACIVSA-N 0 3 297.826 3.743 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H](C)C2)c1[O-] ZINC001237682052 1131127264 /nfs/dbraw/zinc/12/72/64/1131127264.db2.gz VTBCNJJYVWIKHY-NSHDSACASA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H](C)C2)c1[O-] ZINC001237682052 1131127268 /nfs/dbraw/zinc/12/72/68/1131127268.db2.gz VTBCNJJYVWIKHY-NSHDSACASA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2C)c1[O-] ZINC001237687225 1131127859 /nfs/dbraw/zinc/12/78/59/1131127859.db2.gz VVZXADQTPOMNQY-CMPLNLGQSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c1[O-] ZINC001237687225 1131127863 /nfs/dbraw/zinc/12/78/63/1131127863.db2.gz VVZXADQTPOMNQY-CMPLNLGQSA-N 0 3 267.800 3.974 20 10 CHCDHN CCCC[C@H](CCC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000226269761 1127389166 /nfs/dbraw/zinc/38/91/66/1127389166.db2.gz NKUOUCYPBOAJTH-ZDUSSCGKSA-N 0 3 279.380 3.569 20 10 CHCDHN Cc1noc(C)c1C[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000046478229 1127408290 /nfs/dbraw/zinc/40/82/90/1127408290.db2.gz KBAXFIQIKLHWQD-UHFFFAOYSA-N 0 3 296.370 3.782 20 10 CHCDHN Cc1noc(C)c1C[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000046478229 1127408293 /nfs/dbraw/zinc/40/82/93/1127408293.db2.gz KBAXFIQIKLHWQD-UHFFFAOYSA-N 0 3 296.370 3.782 20 10 CHCDHN Cc1noc(C)c1CN(C)Cc1c(O)ccc2ccccc21 ZINC000046478229 1127408295 /nfs/dbraw/zinc/40/82/95/1127408295.db2.gz KBAXFIQIKLHWQD-UHFFFAOYSA-N 0 3 296.370 3.782 20 10 CHCDHN C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584846 1127412483 /nfs/dbraw/zinc/41/24/83/1127412483.db2.gz SPZVRNXXBDMUGH-LLVKDONJSA-N 0 3 293.769 3.906 20 10 CHCDHN CC(C)(NCc1ccc(N)cc1)c1ccc(F)c(F)c1 ZINC001120371450 1127521949 /nfs/dbraw/zinc/52/19/49/1127521949.db2.gz YWRYSPSDWIUIPD-UHFFFAOYSA-N 0 3 276.330 3.572 20 10 CHCDHN CCc1nc(C)c(CN[C@H](C)c2c(C)cc(C)cc2O)o1 ZINC000294050244 1127545428 /nfs/dbraw/zinc/54/54/28/1127545428.db2.gz GQJTWTRJUYBYQV-CYBMUJFWSA-N 0 3 288.391 3.719 20 10 CHCDHN C[C@H](CCO)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000295200569 1127626975 /nfs/dbraw/zinc/62/69/75/1127626975.db2.gz YQIIWMLDRZIMDW-HNNXBMFYSA-N 0 3 299.414 3.557 20 10 CHCDHN CCOc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295877584 1127656542 /nfs/dbraw/zinc/65/65/42/1127656542.db2.gz HNJDATDHVBFFHR-HNNXBMFYSA-N 0 3 283.371 3.568 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccncc1 ZINC000296241943 1127666416 /nfs/dbraw/zinc/66/64/16/1127666416.db2.gz ATYCAGRNHNKLMQ-LSDHHAIUSA-N 0 3 268.360 3.515 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccncc1 ZINC000296241937 1127666609 /nfs/dbraw/zinc/66/66/09/1127666609.db2.gz ATYCAGRNHNKLMQ-HUUCEWRRSA-N 0 3 268.360 3.515 20 10 CHCDHN CC[C@@H]([NH2+]CCc1scnc1C)c1ccc(C)cc1[O-] ZINC000296390805 1127670831 /nfs/dbraw/zinc/67/08/31/1127670831.db2.gz KBENSUYUJCAVTP-CQSZACIVSA-N 0 3 290.432 3.749 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCc2ncccc2C)c([O-])c1 ZINC000296530626 1127674695 /nfs/dbraw/zinc/67/46/95/1127674695.db2.gz QIYGVQYHQYLARJ-HNNXBMFYSA-N 0 3 284.403 3.687 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(c3cccc(F)c3)CC1)CC2 ZINC000296644278 1127680153 /nfs/dbraw/zinc/68/01/53/1127680153.db2.gz DAQKWSHKTXIYGY-HNNXBMFYSA-N 0 3 283.346 3.798 20 10 CHCDHN COc1cccc(C2([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)c1 ZINC000297118456 1127689233 /nfs/dbraw/zinc/68/92/33/1127689233.db2.gz YKZSYICCMSOVEM-MRXNPFEDSA-N 0 3 295.382 3.667 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000372096558 1127787915 /nfs/dbraw/zinc/78/79/15/1127787915.db2.gz TVVFVUIGFJCCSA-MORSLUCNSA-N 0 3 289.419 3.556 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000374260489 1127882142 /nfs/dbraw/zinc/88/21/42/1127882142.db2.gz WGKCUTYBZHCLFV-QGZVFWFLSA-N 0 3 285.412 3.682 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000374260489 1127882144 /nfs/dbraw/zinc/88/21/44/1127882144.db2.gz WGKCUTYBZHCLFV-QGZVFWFLSA-N 0 3 285.412 3.682 20 10 CHCDHN CC[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1ccccc1[O-] ZINC000927071020 1128215565 /nfs/dbraw/zinc/21/55/65/1128215565.db2.gz RUWOGLPKVKMNEG-RDJZCZTQSA-N 0 3 287.407 3.564 20 10 CHCDHN COc1cc(C)c(C)cc1CN(C)Cc1ccccc1O ZINC001238768402 1131242825 /nfs/dbraw/zinc/24/28/25/1131242825.db2.gz VZKGXTNMJCGBKQ-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN Cc1nc(C)c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)[nH]1 ZINC000929634226 1128280856 /nfs/dbraw/zinc/28/08/56/1128280856.db2.gz BCHZHZOVYAUOEX-UHFFFAOYSA-N 0 3 299.418 3.677 20 10 CHCDHN Cc1nc(C)c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)[nH]1 ZINC000929634226 1128280859 /nfs/dbraw/zinc/28/08/59/1128280859.db2.gz BCHZHZOVYAUOEX-UHFFFAOYSA-N 0 3 299.418 3.677 20 10 CHCDHN CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000777824986 1128288686 /nfs/dbraw/zinc/28/86/86/1128288686.db2.gz MPCLTEFAULIFBH-KRWDZBQOSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000777824986 1128288688 /nfs/dbraw/zinc/28/86/88/1128288688.db2.gz MPCLTEFAULIFBH-KRWDZBQOSA-N 0 3 285.387 3.984 20 10 CHCDHN CC(C)[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000915209851 1128292247 /nfs/dbraw/zinc/29/22/47/1128292247.db2.gz VFFLTJFPZRORLD-GFCCVEGCSA-N 0 3 279.424 3.872 20 10 CHCDHN CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000915209851 1128292251 /nfs/dbraw/zinc/29/22/51/1128292251.db2.gz VFFLTJFPZRORLD-GFCCVEGCSA-N 0 3 279.424 3.872 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2CC3CC(C3)C2)c([O-])c1 ZINC001235678141 1128347269 /nfs/dbraw/zinc/34/72/69/1128347269.db2.gz AHRKPHXUILIPKY-UHFFFAOYSA-N 0 3 259.393 3.532 20 10 CHCDHN CN(C)c1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000043388552 1128603591 /nfs/dbraw/zinc/60/35/91/1128603591.db2.gz SZCYHSVGSXHASP-UHFFFAOYSA-N 0 3 292.785 3.835 20 10 CHCDHN CC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccccc1[O-] ZINC000155971604 1128621480 /nfs/dbraw/zinc/62/14/80/1128621480.db2.gz QEDWMQIUGNLSMH-NVXWUHKLSA-N 0 3 279.424 3.620 20 10 CHCDHN CCc1cnc(CC[NH2+][C@H](CC)c2ccccc2[O-])s1 ZINC000156089097 1128624798 /nfs/dbraw/zinc/62/47/98/1128624798.db2.gz ISZVXIQFNIFBNQ-CQSZACIVSA-N 0 3 290.432 3.695 20 10 CHCDHN COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[O-])cc1 ZINC000155171639 1128661393 /nfs/dbraw/zinc/66/13/93/1128661393.db2.gz QBJVTNAYXWFHGA-QGZVFWFLSA-N 0 3 283.371 3.738 20 10 CHCDHN COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2[O-])cc1 ZINC000155171639 1128661394 /nfs/dbraw/zinc/66/13/94/1128661394.db2.gz QBJVTNAYXWFHGA-QGZVFWFLSA-N 0 3 283.371 3.738 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000778993986 1128674427 /nfs/dbraw/zinc/67/44/27/1128674427.db2.gz ZZXRPFYWBMICIW-UHFFFAOYSA-N 0 3 273.351 3.726 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000778993986 1128674428 /nfs/dbraw/zinc/67/44/28/1128674428.db2.gz ZZXRPFYWBMICIW-UHFFFAOYSA-N 0 3 273.351 3.726 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000778998139 1128675395 /nfs/dbraw/zinc/67/53/95/1128675395.db2.gz IPWXLVCDWLCLNC-QGZVFWFLSA-N 0 3 285.362 3.738 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000778998139 1128675397 /nfs/dbraw/zinc/67/53/97/1128675397.db2.gz IPWXLVCDWLCLNC-QGZVFWFLSA-N 0 3 285.362 3.738 20 10 CHCDHN Cc1ccc([C@@H]([NH2+]Cc2ccccc2[O-])C2CC2)cc1 ZINC000134226240 1128706248 /nfs/dbraw/zinc/70/62/48/1128706248.db2.gz WMXKEAHWNCKQOM-GOSISDBHSA-N 0 3 267.372 3.942 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000779052672 1128710254 /nfs/dbraw/zinc/71/02/54/1128710254.db2.gz RFCOKLBYDQYBSO-OAHLLOKOSA-N 0 3 277.364 3.834 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC23CCCC3)c1[O-] ZINC000763458870 1128730918 /nfs/dbraw/zinc/73/09/18/1128730918.db2.gz SJZZYYLOSRNMEA-ZDUSSCGKSA-N 0 3 265.784 3.776 20 10 CHCDHN Cc1cccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000185086071 1117761253 /nfs/dbraw/zinc/76/12/53/1117761253.db2.gz ZVSDLQAJQWSVQV-CQSZACIVSA-N 0 3 296.414 3.825 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)c([O-])c1 ZINC000185184347 1117780030 /nfs/dbraw/zinc/78/00/30/1117780030.db2.gz XWPJCLZEJLTKJY-UHFFFAOYSA-N 0 3 293.313 3.628 20 10 CHCDHN C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185471860 1117828349 /nfs/dbraw/zinc/82/83/49/1117828349.db2.gz MIRSFLJMVLYVLM-MLGOLLRUSA-N 0 3 296.430 3.548 20 10 CHCDHN COCCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000185753394 1117880128 /nfs/dbraw/zinc/88/01/28/1117880128.db2.gz IRZXYANTNVHFQZ-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])c1 ZINC000179577438 1128748844 /nfs/dbraw/zinc/74/88/44/1128748844.db2.gz FROFYSOOXBEHHE-SFHVURJKSA-N 0 3 296.414 3.795 20 10 CHCDHN CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2[O-])c1 ZINC000179577438 1128748850 /nfs/dbraw/zinc/74/88/50/1128748850.db2.gz FROFYSOOXBEHHE-SFHVURJKSA-N 0 3 296.414 3.795 20 10 CHCDHN CC[C@H]([NH2+]CCc1cccs1)c1ccccc1[O-] ZINC000019949198 1118034377 /nfs/dbraw/zinc/03/43/77/1118034377.db2.gz NZRYMEWNMPCMAC-AWEZNQCLSA-N 0 3 261.390 3.737 20 10 CHCDHN Cc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000765571131 1118172204 /nfs/dbraw/zinc/17/22/04/1118172204.db2.gz YMFYZCOGVVSMEB-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN CC[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccccc1[O-] ZINC000188660424 1118326218 /nfs/dbraw/zinc/32/62/18/1118326218.db2.gz CJFAGPCKXPBMNE-AEFFLSMTSA-N 0 3 291.435 3.764 20 10 CHCDHN COc1cccc(C[NH+]2CCC(C)(C(C)C)CC2)c1[O-] ZINC000779190946 1128781020 /nfs/dbraw/zinc/78/10/20/1128781020.db2.gz DEJBYQJGCXZIDZ-UHFFFAOYSA-N 0 3 277.408 3.659 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1c(C)noc1C)c1ccccc1[O-] ZINC000092327879 1118583004 /nfs/dbraw/zinc/58/30/04/1118583004.db2.gz MXXMWIQLBNGNBV-HZMBPMFUSA-N 0 3 274.364 3.799 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1CCC(F)(F)CC1)CC2 ZINC000693388356 1118614728 /nfs/dbraw/zinc/61/47/28/1118614728.db2.gz RRPVAICRHIIONH-ZDUSSCGKSA-N 0 3 281.346 3.795 20 10 CHCDHN COC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000089668352 1118795515 /nfs/dbraw/zinc/79/55/15/1118795515.db2.gz WOCXOGIPIUHUPO-KXBFYZLASA-N 0 3 298.430 3.791 20 10 CHCDHN CCCN(Cc1ccnn1C1CCC1)Cc1ccccc1O ZINC000891853107 1118803686 /nfs/dbraw/zinc/80/36/86/1118803686.db2.gz BJDZMWDIXVIHSQ-UHFFFAOYSA-N 0 3 299.418 3.726 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000051630690 1119059110 /nfs/dbraw/zinc/05/91/10/1119059110.db2.gz WSXKUPGFZAHXLX-CZUORRHYSA-N 0 3 267.372 3.600 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000051630632 1119059557 /nfs/dbraw/zinc/05/95/57/1119059557.db2.gz PDUOEDIFTXLFGN-WMZOPIPTSA-N 0 3 281.399 3.990 20 10 CHCDHN Cc1cc([C@H](C)NCc2ccc(N(C)C)cc2)cs1 ZINC000294304319 1119633154 /nfs/dbraw/zinc/63/31/54/1119633154.db2.gz VJQIMFYFKDYTBG-ZDUSSCGKSA-N 0 3 274.433 3.973 20 10 CHCDHN CC(C)Cc1ccc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000892476923 1119756990 /nfs/dbraw/zinc/75/69/90/1119756990.db2.gz YUIUANLDRUHBFP-UHFFFAOYSA-N 0 3 297.446 3.636 20 10 CHCDHN Cc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000179877666 1119787889 /nfs/dbraw/zinc/78/78/89/1119787889.db2.gz GYKSTNHOMAUSNY-CQSZACIVSA-N 0 3 255.361 3.594 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000052336176 1119814528 /nfs/dbraw/zinc/81/45/28/1119814528.db2.gz BLOHYNZCGIXXNV-AWEZNQCLSA-N 0 3 291.391 3.569 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1CCC(F)(F)CC1 ZINC000690786843 1119819854 /nfs/dbraw/zinc/81/98/54/1119819854.db2.gz VOUVAHZGEWKYIW-LLVKDONJSA-N 0 3 269.335 3.696 20 10 CHCDHN COC1(c2ccccc2)CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203558332 1120031568 /nfs/dbraw/zinc/03/15/68/1120031568.db2.gz FOZBMEXATXNEKJ-UHFFFAOYSA-N 0 3 297.398 3.530 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708868062 1120040656 /nfs/dbraw/zinc/04/06/56/1120040656.db2.gz HNLMMZQAKBTRIK-OAHLLOKOSA-N 0 3 259.393 3.794 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708868062 1120040661 /nfs/dbraw/zinc/04/06/61/1120040661.db2.gz HNLMMZQAKBTRIK-OAHLLOKOSA-N 0 3 259.393 3.794 20 10 CHCDHN CCSCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168809296 1120097489 /nfs/dbraw/zinc/09/74/89/1120097489.db2.gz HHIWVUYQBJPZNQ-STQMWFEESA-N 0 3 267.438 3.883 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000695125455 1120110675 /nfs/dbraw/zinc/11/06/75/1120110675.db2.gz ICGFJGDPFLDWGR-VXGBXAGGSA-N 0 3 269.335 3.929 20 10 CHCDHN c1ccc(C2(NCc3ccc4c(c3)CCCO4)CC2)cc1 ZINC000921716987 1120170955 /nfs/dbraw/zinc/17/09/55/1120170955.db2.gz OOBOTFDCLBFAKH-UHFFFAOYSA-N 0 3 279.383 3.791 20 10 CHCDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[O-] ZINC000179937114 1120258002 /nfs/dbraw/zinc/25/80/02/1120258002.db2.gz PYHPICMPMONJGP-UHFFFAOYSA-N 0 3 298.361 3.815 20 10 CHCDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[O-] ZINC000179937114 1120258006 /nfs/dbraw/zinc/25/80/06/1120258006.db2.gz PYHPICMPMONJGP-UHFFFAOYSA-N 0 3 298.361 3.815 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCc2cccs2)c2c1c(F)ccc2[O-] ZINC000756373130 1120276383 /nfs/dbraw/zinc/27/63/83/1120276383.db2.gz SZTRYKSZAYZRDK-MFKMUULPSA-N 0 3 291.391 3.973 20 10 CHCDHN Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183438565 1120341936 /nfs/dbraw/zinc/34/19/36/1120341936.db2.gz MODUMOCBDHBDEB-HUUCEWRRSA-N 0 3 285.387 3.819 20 10 CHCDHN COC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCCCC1 ZINC000186508935 1120349384 /nfs/dbraw/zinc/34/93/84/1120349384.db2.gz ODXPVXFZHQNEHR-LBPRGKRZSA-N 0 3 281.371 3.531 20 10 CHCDHN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000092327737 1120357141 /nfs/dbraw/zinc/35/71/41/1120357141.db2.gz GBFHXWGIOKBZDM-QWRGUYRKSA-N 0 3 274.364 3.717 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000185377836 1120375667 /nfs/dbraw/zinc/37/56/67/1120375667.db2.gz NFWJSQPNGQPYST-LBPRGKRZSA-N 0 3 284.334 3.562 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1cc(F)ccc1[O-] ZINC000756496703 1120387049 /nfs/dbraw/zinc/38/70/49/1120387049.db2.gz XLDOYJKZEXYRJY-QWHCGFSZSA-N 0 3 289.350 3.649 20 10 CHCDHN CCCC[N@H+](CCc1ccncc1)Cc1ccccc1[O-] ZINC000282340927 1120466456 /nfs/dbraw/zinc/46/64/56/1120466456.db2.gz BTGOKQLYIMETTO-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN CCCC[N@@H+](CCc1ccncc1)Cc1ccccc1[O-] ZINC000282340927 1120466459 /nfs/dbraw/zinc/46/64/59/1120466459.db2.gz BTGOKQLYIMETTO-UHFFFAOYSA-N 0 3 284.403 3.632 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC3CCC2CC3)c1[O-] ZINC000312615052 1120493731 /nfs/dbraw/zinc/49/37/31/1120493731.db2.gz AOYRAQRPJADNJO-QIMFLAQGSA-N 0 3 295.810 3.723 20 10 CHCDHN Cc1cc(O)c(CNCc2nccc3c2CCCC3)cc1C ZINC000922466175 1120542067 /nfs/dbraw/zinc/54/20/67/1120542067.db2.gz GLFSLEIVGGWKHB-UHFFFAOYSA-N 0 3 296.414 3.573 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])n1 ZINC000186573071 1120587830 /nfs/dbraw/zinc/58/78/30/1120587830.db2.gz OFDFHEKWTYTUJZ-DGCLKSJQSA-N 0 3 290.432 3.920 20 10 CHCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC000191658831 1128950356 /nfs/dbraw/zinc/95/03/56/1128950356.db2.gz WJEIKXSQCOJXBJ-CYBMUJFWSA-N 0 3 287.325 3.803 20 10 CHCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC000191658831 1128950359 /nfs/dbraw/zinc/95/03/59/1128950359.db2.gz WJEIKXSQCOJXBJ-CYBMUJFWSA-N 0 3 287.325 3.803 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC2)c1[O-] ZINC000186979039 1121043481 /nfs/dbraw/zinc/04/34/81/1121043481.db2.gz SMPGWTGQYZHZDK-SECBINFHSA-N 0 3 284.197 3.524 20 10 CHCDHN C[C@H]([NH2+]CC1CC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000701945113 1121174193 /nfs/dbraw/zinc/17/41/93/1121174193.db2.gz OROLRWBMCDSMAL-JTQLQIEISA-N 0 3 251.345 3.618 20 10 CHCDHN CCC[C@@H](C[NH2+][C@H](CC)c1ccccc1[O-])OCC ZINC000705317181 1121396089 /nfs/dbraw/zinc/39/60/89/1121396089.db2.gz OZANMPOICANNHA-DZGCQCFKSA-N 0 3 265.397 3.638 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000877462119 1121631897 /nfs/dbraw/zinc/63/18/97/1121631897.db2.gz KSOHMVPPJMZQED-GFCCVEGCSA-N 0 3 275.314 3.767 20 10 CHCDHN CCN(C)c1ccc(CN2CCc3ccsc3C2)cc1 ZINC000773827267 1121909275 /nfs/dbraw/zinc/90/92/75/1121909275.db2.gz WGMMTRWFQQESGB-UHFFFAOYSA-N 0 3 286.444 3.763 20 10 CHCDHN CC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@H](C)O1 ZINC000732184547 1121910552 /nfs/dbraw/zinc/91/05/52/1121910552.db2.gz CLZUIKMRSMHBPQ-GOEBONIOSA-N 0 3 291.435 3.823 20 10 CHCDHN Cc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)on1 ZINC000732205066 1121912711 /nfs/dbraw/zinc/91/27/11/1121912711.db2.gz YXOGECRMMFNTJW-UHFFFAOYSA-N 0 3 286.375 3.633 20 10 CHCDHN Cc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)on1 ZINC000732205066 1121912716 /nfs/dbraw/zinc/91/27/16/1121912716.db2.gz YXOGECRMMFNTJW-UHFFFAOYSA-N 0 3 286.375 3.633 20 10 CHCDHN c1ccc2c(c1)NCCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000774159970 1122136225 /nfs/dbraw/zinc/13/62/25/1122136225.db2.gz AABORFWHAZSLPV-SFHVURJKSA-N 0 3 294.398 3.658 20 10 CHCDHN CC(C)C1(c2ccccc2)C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC001182424148 1122152437 /nfs/dbraw/zinc/15/24/37/1122152437.db2.gz OYAPMQKSYOQJCG-UHFFFAOYSA-N 0 3 299.389 3.941 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([O-])c1 ZINC001204347844 1122177048 /nfs/dbraw/zinc/17/70/48/1122177048.db2.gz MIALCTZDMSJLGG-MRXNPFEDSA-N 0 3 299.389 3.904 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([O-])c1 ZINC001204347844 1122177052 /nfs/dbraw/zinc/17/70/52/1122177052.db2.gz MIALCTZDMSJLGG-MRXNPFEDSA-N 0 3 299.389 3.904 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC000273451665 1122233973 /nfs/dbraw/zinc/23/39/73/1122233973.db2.gz GCMYUMHOZRULDP-JYJNAYRXSA-N 0 3 291.435 3.945 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000273530928 1122238032 /nfs/dbraw/zinc/23/80/32/1122238032.db2.gz WHUCKDVBJGVNDK-NORZTCDRSA-N 0 3 295.398 3.776 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccccc1[O-] ZINC000183425866 1129054670 /nfs/dbraw/zinc/05/46/70/1129054670.db2.gz JCOARAKJLAEOFD-RHSMWYFYSA-N 0 3 290.451 3.553 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1[O-] ZINC000775134964 1122437666 /nfs/dbraw/zinc/43/76/66/1122437666.db2.gz AOTAINRWJVEADA-BDJLRTHQSA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183438710 1129055234 /nfs/dbraw/zinc/05/52/34/1129055234.db2.gz JDIHTDPETNYSAQ-STQMWFEESA-N 0 3 273.351 3.813 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]Cc1cccc(C(C)C)c1 ZINC000775343045 1122523956 /nfs/dbraw/zinc/52/39/56/1122523956.db2.gz XFQAHQQKFONTOO-UHFFFAOYSA-N 0 3 285.387 3.814 20 10 CHCDHN C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccccc1[O-] ZINC000183523968 1129060715 /nfs/dbraw/zinc/06/07/15/1129060715.db2.gz AAVPGDMJVIOQGA-ZDUSSCGKSA-N 0 3 285.362 3.914 20 10 CHCDHN Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183533733 1129061165 /nfs/dbraw/zinc/06/11/65/1129061165.db2.gz YNMMOZNNJXCJAT-LSDHHAIUSA-N 0 3 285.387 3.819 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)c1ccccc1[O-] ZINC000775413852 1122556300 /nfs/dbraw/zinc/55/63/00/1122556300.db2.gz CMECFDZGGQGXFH-MJGOQNOKSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)c1ccccc1[O-] ZINC000775413850 1122556614 /nfs/dbraw/zinc/55/66/14/1122556614.db2.gz CMECFDZGGQGXFH-HKUYNNGSSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccccc1[O-] ZINC000775487022 1122616179 /nfs/dbraw/zinc/61/61/79/1122616179.db2.gz GAQORXMILILJDU-YJBOKZPZSA-N 0 3 298.430 3.958 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)CN1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000775488018 1122616796 /nfs/dbraw/zinc/61/67/96/1122616796.db2.gz GAJMGAVRXNMTHJ-ZOBUZTSGSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000775487491 1122618689 /nfs/dbraw/zinc/61/86/89/1122618689.db2.gz CHYMYUQCQRVMGS-WMLDXEAASA-N 0 3 297.398 3.684 20 10 CHCDHN CC[C@H]([NH2+]CCNc1ccccc1)c1ccccc1[O-] ZINC000775512896 1122634405 /nfs/dbraw/zinc/63/44/05/1122634405.db2.gz RWJRFFHRQHKELG-INIZCTEOSA-N 0 3 270.376 3.545 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cnccc1C)c1ccccc1[O-] ZINC000775519609 1122638751 /nfs/dbraw/zinc/63/87/51/1122638751.db2.gz MSLSCFBDWBCPQP-CZUORRHYSA-N 0 3 270.376 3.898 20 10 CHCDHN CCOc1ccccc1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183596310 1129068532 /nfs/dbraw/zinc/06/85/32/1129068532.db2.gz POFSTYJROUGINE-AWEZNQCLSA-N 0 3 285.387 3.684 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1[O-] ZINC000183600065 1129068853 /nfs/dbraw/zinc/06/88/53/1129068853.db2.gz UKWFVBPAEDYNPA-JLJPHGGASA-N 0 3 267.372 3.847 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)C(C2CC2)C2CC2)c1[O-] ZINC000775667199 1122881394 /nfs/dbraw/zinc/88/13/94/1122881394.db2.gz FKERQQIDJTXWCR-UHFFFAOYSA-N 0 3 279.811 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)C(C2CC2)C2CC2)c1[O-] ZINC000775667199 1122881398 /nfs/dbraw/zinc/88/13/98/1122881398.db2.gz FKERQQIDJTXWCR-UHFFFAOYSA-N 0 3 279.811 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1[O-] ZINC000775702383 1122914540 /nfs/dbraw/zinc/91/45/40/1122914540.db2.gz RZDMJBLKPBJJJA-MNOVXSKESA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1[O-] ZINC000775702383 1122914543 /nfs/dbraw/zinc/91/45/43/1122914543.db2.gz RZDMJBLKPBJJJA-MNOVXSKESA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000775737469 1122928281 /nfs/dbraw/zinc/92/82/81/1122928281.db2.gz HVRAGKHXKSBLLE-PHIMTYICSA-N 0 3 253.773 3.727 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000775737469 1122928283 /nfs/dbraw/zinc/92/82/83/1122928283.db2.gz HVRAGKHXKSBLLE-PHIMTYICSA-N 0 3 253.773 3.727 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCSC(F)(F)F)c1[O-] ZINC000776014667 1123034826 /nfs/dbraw/zinc/03/48/26/1123034826.db2.gz AZTCKSVBJDNQIB-UHFFFAOYSA-N 0 3 299.745 3.697 20 10 CHCDHN CC[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccccc1[O-] ZINC000895134422 1123248164 /nfs/dbraw/zinc/24/81/64/1123248164.db2.gz XNQDEZTWUNOWQG-DBQDNQAGSA-N 0 3 289.419 3.781 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)c1[O-] ZINC000850482592 1123273261 /nfs/dbraw/zinc/27/32/61/1123273261.db2.gz PZWRACBAHWLHEM-JQWIXIFHSA-N 0 3 283.799 3.572 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000850492210 1123274160 /nfs/dbraw/zinc/27/41/60/1123274160.db2.gz BQKLXRZMJRZHAS-ZBFHGGJFSA-N 0 3 290.451 3.614 20 10 CHCDHN CC[C@H](COCC1CC1)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000850494118 1123275295 /nfs/dbraw/zinc/27/52/95/1123275295.db2.gz MZONSUVYKCQHGF-GDBMZVCRSA-N 0 3 277.408 3.638 20 10 CHCDHN CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000850500903 1123275402 /nfs/dbraw/zinc/27/54/02/1123275402.db2.gz IGKGQBHHRHUENY-CQSZACIVSA-N 0 3 293.451 3.929 20 10 CHCDHN C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000850518662 1123279084 /nfs/dbraw/zinc/27/90/84/1123279084.db2.gz SMVJBFMSMBGHGU-AFAVFJNCSA-N 0 3 279.383 3.698 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)c2c1c(F)ccc2[O-] ZINC000850535689 1123287354 /nfs/dbraw/zinc/28/73/54/1123287354.db2.gz ZHMZGIAWAPVMPB-FMCLSXCISA-N 0 3 293.382 3.627 20 10 CHCDHN CO[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CCCCC1 ZINC000850569596 1123294182 /nfs/dbraw/zinc/29/41/82/1123294182.db2.gz KADRQYCTMDRBRO-NVXWUHKLSA-N 0 3 289.419 3.564 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c([O-])c1 ZINC000850573460 1123294995 /nfs/dbraw/zinc/29/49/95/1123294995.db2.gz MIRKEEXRLBQZNW-VCBZYWHSSA-N 0 3 299.414 3.516 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1[O-] ZINC000783510992 1123403562 /nfs/dbraw/zinc/40/35/62/1123403562.db2.gz WCZTVCLTQMXIPQ-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN CCN(C)c1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000852673314 1123411879 /nfs/dbraw/zinc/41/18/79/1123411879.db2.gz PTVASOAWSIJLPZ-UHFFFAOYSA-N 0 3 299.418 3.510 20 10 CHCDHN CC(C)CCn1cccc1CNCc1ccc2c(c1)CCO2 ZINC000738430944 1123449810 /nfs/dbraw/zinc/44/98/10/1123449810.db2.gz VLNBAMMNRQAUCW-UHFFFAOYSA-N 0 3 298.430 3.759 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)CC2 ZINC000857080441 1123584792 /nfs/dbraw/zinc/58/47/92/1123584792.db2.gz GMZPYJFFPITURH-QWRGUYRKSA-N 0 3 286.202 3.553 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)c([O-])c1 ZINC000857082297 1123586100 /nfs/dbraw/zinc/58/61/00/1123586100.db2.gz MJOBFTXJSWCOIB-GHMZBOCLSA-N 0 3 288.218 3.935 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858538331 1123660869 /nfs/dbraw/zinc/66/08/69/1123660869.db2.gz UEJWHKUDLFYXJG-ZJOBFFGXSA-N 0 3 259.393 3.787 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccns1 ZINC000858576477 1123664904 /nfs/dbraw/zinc/66/49/04/1123664904.db2.gz KXHPPLUUAYRLAX-WCABBAIRSA-N 0 3 292.379 3.887 20 10 CHCDHN CN(Cc1cc(F)cc(Cl)c1)Cc1ccccc1O ZINC000777222313 1123786198 /nfs/dbraw/zinc/78/61/98/1123786198.db2.gz QLYOEHDPTQNQAQ-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C2Cc3ccccc3C2)c([O-])c1 ZINC000184005917 1129145407 /nfs/dbraw/zinc/14/54/07/1129145407.db2.gz LEQIITBBBNKGMR-ZDUSSCGKSA-N 0 3 267.372 3.519 20 10 CHCDHN COc1cc(C)ccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000119822546 1123914737 /nfs/dbraw/zinc/91/47/37/1123914737.db2.gz POHJKBFWERDDTE-HNNXBMFYSA-N 0 3 298.430 3.920 20 10 CHCDHN CCCN1CCC([NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794789887 1123948880 /nfs/dbraw/zinc/94/88/80/1123948880.db2.gz AVBDMQNRTNNGCQ-QGZVFWFLSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1ccc(C)cc1[O-] ZINC000794801684 1123950332 /nfs/dbraw/zinc/95/03/32/1123950332.db2.gz JWTKUVDISCBWOU-RDTXWAMCSA-N 0 3 299.414 3.995 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794793521 1123950688 /nfs/dbraw/zinc/95/06/88/1123950688.db2.gz OWPGJYWEWYFRHD-NVXWUHKLSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1ccc(C)cc1[O-] ZINC000794802499 1123950773 /nfs/dbraw/zinc/95/07/73/1123950773.db2.gz NNWGJFXGCOJDBK-PKOBYXMFSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(C)cc1[O-] ZINC000794799975 1123950787 /nfs/dbraw/zinc/95/07/87/1123950787.db2.gz ASYDBTZTPCUUHI-WMLDXEAASA-N 0 3 284.403 3.768 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794805115 1123952255 /nfs/dbraw/zinc/95/22/55/1123952255.db2.gz FWCJAOCFELCBIU-AEFFLSMTSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000794805611 1123955384 /nfs/dbraw/zinc/95/53/84/1123955384.db2.gz XWHSDGDQYFVWKB-IAGOWNOFSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794817030 1123959594 /nfs/dbraw/zinc/95/95/94/1123959594.db2.gz OHRLIJIPGMQYFX-HKUYNNGSSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794811922 1123960104 /nfs/dbraw/zinc/96/01/04/1123960104.db2.gz UTNHRGDYIKGPQR-LZWOXQAQSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(C)cc1[O-] ZINC000794818971 1123960994 /nfs/dbraw/zinc/96/09/94/1123960994.db2.gz ZWSOTYIGKUXIIK-DZGCQCFKSA-N 0 3 277.408 3.699 20 10 CHCDHN Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])s1 ZINC000866455461 1124067987 /nfs/dbraw/zinc/06/79/87/1124067987.db2.gz LUNYBMCKXYSGAN-BDAKNGLRSA-N 0 3 280.368 3.708 20 10 CHCDHN CC[C@H]([NH2+]CCC(C)(C)OC)c1ccc(C)cc1[O-] ZINC000866505540 1124074748 /nfs/dbraw/zinc/07/47/48/1124074748.db2.gz OBLKAQWOEPNSGE-AWEZNQCLSA-N 0 3 265.397 3.556 20 10 CHCDHN CC[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(N(C)C)cc1 ZINC000866632721 1124091782 /nfs/dbraw/zinc/09/17/82/1124091782.db2.gz ORMZXCJXQVTDIN-IAGOWNOFSA-N 0 3 298.434 3.525 20 10 CHCDHN COc1ccccc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000122705232 1124524241 /nfs/dbraw/zinc/52/42/41/1124524241.db2.gz ZXROWPYFJSWJHG-HNNXBMFYSA-N 0 3 298.430 3.920 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(C)cc1[O-] ZINC000872105730 1124683834 /nfs/dbraw/zinc/68/38/34/1124683834.db2.gz BDIDVTHRKCDQOE-OAOQPFQOSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])[C@@H](O)c1ccccc1 ZINC000872133305 1124692437 /nfs/dbraw/zinc/69/24/37/1124692437.db2.gz PGJZOZJANRPQFF-LJHODMEESA-N 0 3 299.414 3.863 20 10 CHCDHN Cc1ccc([C@@H](C)N[C@H](C)c2nccnc2C)c(O)c1C ZINC000872134333 1124692750 /nfs/dbraw/zinc/69/27/50/1124692750.db2.gz RKVKNYSNZZOGPI-TZMCWYRMSA-N 0 3 285.391 3.519 20 10 CHCDHN COc1ccccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000020096562 1124805132 /nfs/dbraw/zinc/80/51/32/1124805132.db2.gz VCKVIHDKARVCJD-CQSZACIVSA-N 0 3 284.403 3.612 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)c([O-])c1 ZINC000020145206 1124808304 /nfs/dbraw/zinc/80/83/04/1124808304.db2.gz FKCDXODLXFUTFN-UONOGXRCSA-N 0 3 273.376 3.966 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC000124974259 1124828870 /nfs/dbraw/zinc/82/88/70/1124828870.db2.gz JBWLLZJLGZPBRF-KRWDZBQOSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC000124974259 1124828876 /nfs/dbraw/zinc/82/88/76/1124828876.db2.gz JBWLLZJLGZPBRF-KRWDZBQOSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876756915 1124975286 /nfs/dbraw/zinc/97/52/86/1124975286.db2.gz ACFQWHDDIGNISW-HNNXBMFYSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876756915 1124975289 /nfs/dbraw/zinc/97/52/89/1124975289.db2.gz ACFQWHDDIGNISW-HNNXBMFYSA-N 0 3 297.398 3.699 20 10 CHCDHN Cc1ccc(CN[C@H](C)c2ccc(F)cc2F)c(O)c1 ZINC000876905832 1124988403 /nfs/dbraw/zinc/98/84/03/1124988403.db2.gz LKNOQFQEIHBLEG-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN CC(C)O[C@@H](C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000876996057 1124996593 /nfs/dbraw/zinc/99/65/93/1124996593.db2.gz MUDINKBUSYMRKL-SFHVURJKSA-N 0 3 285.387 3.648 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3C)c([O-])c1 ZINC000877015260 1124998136 /nfs/dbraw/zinc/99/81/36/1124998136.db2.gz JGOMCGFYQNIQDV-KRWDZBQOSA-N 0 3 267.372 3.786 20 10 CHCDHN COc1cc(Cl)ccc1CNCc1ccc(C)cc1O ZINC000877046134 1125001863 /nfs/dbraw/zinc/00/18/63/1125001863.db2.gz JAZVUUHJORKANY-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])CCO1 ZINC000877167485 1125016126 /nfs/dbraw/zinc/01/61/26/1125016126.db2.gz ZOCXYQPRFNBMOK-MAUKXSAKSA-N 0 3 291.435 3.774 20 10 CHCDHN Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C)cc1[O-])CCC2 ZINC000877183098 1125019522 /nfs/dbraw/zinc/01/95/22/1125019522.db2.gz YCARUOWYSDEZQS-CYBMUJFWSA-N 0 3 288.416 3.633 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000877376541 1125023744 /nfs/dbraw/zinc/02/37/44/1125023744.db2.gz JLMJIBWXKHVIMQ-LPHOPBHVSA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000877595197 1125052746 /nfs/dbraw/zinc/05/27/46/1125052746.db2.gz UVZHDGNDARDRDN-LBPRGKRZSA-N 0 3 287.325 3.865 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000877595197 1125052754 /nfs/dbraw/zinc/05/27/54/1125052754.db2.gz UVZHDGNDARDRDN-LBPRGKRZSA-N 0 3 287.325 3.865 20 10 CHCDHN Cc1cccc(O)c1CNCc1ccc(C(C)(C)C)o1 ZINC000877735016 1125070852 /nfs/dbraw/zinc/07/08/52/1125070852.db2.gz MZHGPVYDNYENCK-UHFFFAOYSA-N 0 3 273.376 3.881 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(Cl)n1 ZINC000877755625 1125071319 /nfs/dbraw/zinc/07/13/19/1125071319.db2.gz INGAZZOBMWAZND-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755920 1125072308 /nfs/dbraw/zinc/07/23/08/1125072308.db2.gz SVSVRXSGVQCLMY-MRRFBWAASA-N 0 3 299.351 3.766 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(C)c1O ZINC000877755432 1125073546 /nfs/dbraw/zinc/07/35/46/1125073546.db2.gz BAUPGOZJLOCRON-CYBMUJFWSA-N 0 3 271.360 3.565 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(Cl)n1 ZINC000877758093 1125074007 /nfs/dbraw/zinc/07/40/07/1125074007.db2.gz INGAZZOBMWAZND-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccccc1[O-] ZINC000877757097 1125074255 /nfs/dbraw/zinc/07/42/55/1125074255.db2.gz FVUMZJUGBLGABQ-ZDUSSCGKSA-N 0 3 297.398 3.957 20 10 CHCDHN CC(C)Cc1ncc(C[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000877757137 1125075116 /nfs/dbraw/zinc/07/51/16/1125075116.db2.gz IRGGGSPERWAHFO-LBPRGKRZSA-N 0 3 290.432 3.898 20 10 CHCDHN COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000877757119 1125075428 /nfs/dbraw/zinc/07/54/28/1125075428.db2.gz IADFUTDRGZYQCX-KBPBESRZSA-N 0 3 285.387 3.683 20 10 CHCDHN CCc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1O ZINC000877758358 1125075575 /nfs/dbraw/zinc/07/55/75/1125075575.db2.gz VPIHDSPFQTYOPJ-LBPRGKRZSA-N 0 3 271.360 3.511 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000717108813 1125151862 /nfs/dbraw/zinc/15/18/62/1125151862.db2.gz GJLHTJGZGWOIKF-UONOGXRCSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1[O-] ZINC000127658114 1125209598 /nfs/dbraw/zinc/20/95/98/1125209598.db2.gz IHDKWKLEPGHJPJ-ZDUSSCGKSA-N 0 3 278.355 3.791 20 10 CHCDHN COc1ccc(CN[C@H](C)c2cccs2)cc1C ZINC000035052631 1125234220 /nfs/dbraw/zinc/23/42/20/1125234220.db2.gz FEVMYOUYGZCLMU-GFCCVEGCSA-N 0 3 261.390 3.916 20 10 CHCDHN CSC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000130931959 1125370551 /nfs/dbraw/zinc/37/05/51/1125370551.db2.gz JZPQYUXUILRUAC-AWEZNQCLSA-N 0 3 287.428 3.873 20 10 CHCDHN CSC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000130931959 1125370555 /nfs/dbraw/zinc/37/05/55/1125370555.db2.gz JZPQYUXUILRUAC-AWEZNQCLSA-N 0 3 287.428 3.873 20 10 CHCDHN C[C@@H]([NH2+]C[C@]1(C)OCCc2ccccc21)c1ccccc1[O-] ZINC000883339971 1125397960 /nfs/dbraw/zinc/39/79/60/1125397960.db2.gz GNGKWDHMLZGUMQ-KUHUBIRLSA-N 0 3 297.398 3.531 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(C)cc1[O-] ZINC000883357024 1125401367 /nfs/dbraw/zinc/40/13/67/1125401367.db2.gz BBTOBHYITRFXDW-ZBFHGGJFSA-N 0 3 289.419 3.843 20 10 CHCDHN CCOCc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295861517 1129219233 /nfs/dbraw/zinc/21/92/33/1129219233.db2.gz GOAWMUKKUZCLAF-KRWDZBQOSA-N 0 3 297.398 3.706 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295977002 1129220950 /nfs/dbraw/zinc/22/09/50/1129220950.db2.gz MZLQQDWRDQUNJH-INIZCTEOSA-N 0 3 283.371 3.568 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)CC2 ZINC000297211816 1129225466 /nfs/dbraw/zinc/22/54/66/1129225466.db2.gz GRNLYSRGFRLSDI-OLZOCXBDSA-N 0 3 281.346 3.795 20 10 CHCDHN CCN(Cc1ccoc1)Cc1cc(C)c(C)cc1O ZINC000092935845 1129412278 /nfs/dbraw/zinc/41/22/78/1129412278.db2.gz VYDSGSXAEOCIIM-UHFFFAOYSA-N 0 3 259.349 3.624 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000248389510 1129415991 /nfs/dbraw/zinc/41/59/91/1129415991.db2.gz SFBPYOXTQGWWDC-XCRHUMRWSA-N 0 3 283.371 3.573 20 10 CHCDHN Cc1ccc(O)c(CN2CCO[C@H](c3ccccc3C)C2)c1 ZINC000093478530 1129424741 /nfs/dbraw/zinc/42/47/41/1129424741.db2.gz KSXFFSPAJXJTGP-IBGZPJMESA-N 0 3 297.398 3.583 20 10 CHCDHN CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2[O-])C1 ZINC000093868830 1129428632 /nfs/dbraw/zinc/42/86/32/1129428632.db2.gz YRIXGWKYTNNNDG-KBPBESRZSA-N 0 3 295.448 3.507 20 10 CHCDHN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C1 ZINC000093868830 1129428635 /nfs/dbraw/zinc/42/86/35/1129428635.db2.gz YRIXGWKYTNNNDG-KBPBESRZSA-N 0 3 295.448 3.507 20 10 CHCDHN C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617881 1129448263 /nfs/dbraw/zinc/44/82/63/1129448263.db2.gz CKBYQARLIPUVJS-QWRGUYRKSA-N 0 3 279.380 3.875 20 10 CHCDHN Oc1cc2c(cc1CN1CC[C@H]1c1cccc(F)c1)CCC2 ZINC000743391701 1129522055 /nfs/dbraw/zinc/52/20/55/1129522055.db2.gz WSXIVBUIFPWIGV-SFHVURJKSA-N 0 3 297.373 3.967 20 10 CHCDHN COc1cc(C)c(C[NH2+]CC2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC001206612463 1129522903 /nfs/dbraw/zinc/52/29/03/1129522903.db2.gz JZJGYGUCXPLCHQ-STQMWFEESA-N 0 3 291.435 3.871 20 10 CHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CC12CC2 ZINC000822498250 1131385183 /nfs/dbraw/zinc/38/51/83/1131385183.db2.gz WVASVEJMAZKOTQ-SFHVURJKSA-N 0 3 295.382 3.613 20 10 CHCDHN CC[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CCCO1 ZINC000098051746 1129642590 /nfs/dbraw/zinc/64/25/90/1129642590.db2.gz YANKRJIUYATYGF-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CCCO1 ZINC000098051746 1129642592 /nfs/dbraw/zinc/64/25/92/1129642592.db2.gz YANKRJIUYATYGF-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000380325623 1129739572 /nfs/dbraw/zinc/73/95/72/1129739572.db2.gz PMUZFXYLQIISTB-TXEJJXNPSA-N 0 3 295.810 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000380325623 1129739575 /nfs/dbraw/zinc/73/95/75/1129739575.db2.gz PMUZFXYLQIISTB-TXEJJXNPSA-N 0 3 295.810 3.676 20 10 CHCDHN C[N@H+](CCOC(C)(C)C)Cc1c([O-])ccc2ccccc21 ZINC000767771939 1129812658 /nfs/dbraw/zinc/81/26/58/1129812658.db2.gz MLQBDJNWTQHKLA-UHFFFAOYSA-N 0 3 287.403 3.792 20 10 CHCDHN C[N@@H+](CCOC(C)(C)C)Cc1c([O-])ccc2ccccc21 ZINC000767771939 1129812660 /nfs/dbraw/zinc/81/26/60/1129812660.db2.gz MLQBDJNWTQHKLA-UHFFFAOYSA-N 0 3 287.403 3.792 20 10 CHCDHN CCOc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC000768195635 1129841843 /nfs/dbraw/zinc/84/18/43/1129841843.db2.gz PESKWVSBQFCKGE-AWEZNQCLSA-N 0 3 297.398 3.910 20 10 CHCDHN CCOc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC000768195635 1129841850 /nfs/dbraw/zinc/84/18/50/1129841850.db2.gz PESKWVSBQFCKGE-AWEZNQCLSA-N 0 3 297.398 3.910 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000768228404 1129845196 /nfs/dbraw/zinc/84/51/96/1129845196.db2.gz IMJSLKPZVONJPA-MRXNPFEDSA-N 0 3 283.371 3.738 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000768228404 1129845199 /nfs/dbraw/zinc/84/51/99/1129845199.db2.gz IMJSLKPZVONJPA-MRXNPFEDSA-N 0 3 283.371 3.738 20 10 CHCDHN CCOc1ccc(C[N@H+](CCC(C)C)C2CC2)c([O-])c1 ZINC000768258796 1129847192 /nfs/dbraw/zinc/84/71/92/1129847192.db2.gz XCSYWMMSLKSGSD-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@@H+](CCC(C)C)C2CC2)c([O-])c1 ZINC000768258796 1129847197 /nfs/dbraw/zinc/84/71/97/1129847197.db2.gz XCSYWMMSLKSGSD-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CN(C)c1ccc(CN(Cc2ccsc2)C2CC2)cc1 ZINC000768258215 1129849045 /nfs/dbraw/zinc/84/90/45/1129849045.db2.gz VCMLSXNWGXIRBT-UHFFFAOYSA-N 0 3 286.444 3.979 20 10 CHCDHN Cc1cc(O)c(CN2CCc3cc(F)ccc3C2)cc1C ZINC000768482075 1129858227 /nfs/dbraw/zinc/85/82/27/1129858227.db2.gz PQAJODHLEOWLEE-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN CCOc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000769403301 1129906985 /nfs/dbraw/zinc/90/69/85/1129906985.db2.gz BUHGTQJVKLJULG-CPUCHLNUSA-N 0 3 289.419 3.944 20 10 CHCDHN CCOc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000769403301 1129906988 /nfs/dbraw/zinc/90/69/88/1129906988.db2.gz BUHGTQJVKLJULG-CPUCHLNUSA-N 0 3 289.419 3.944 20 10 CHCDHN Cc1ccc(O)c(CN2CCc3cccc(F)c3[C@H]2C)c1 ZINC000769426660 1129908120 /nfs/dbraw/zinc/90/81/20/1129908120.db2.gz VTLKCQHWOGSPOW-CYBMUJFWSA-N 0 3 285.362 3.959 20 10 CHCDHN COc1cccc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000769462004 1129911673 /nfs/dbraw/zinc/91/16/73/1129911673.db2.gz FBVRVNSCSBHMMW-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN COc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000769462004 1129911676 /nfs/dbraw/zinc/91/16/76/1129911676.db2.gz FBVRVNSCSBHMMW-HNNXBMFYSA-N 0 3 299.414 3.772 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000769540458 1129913235 /nfs/dbraw/zinc/91/32/35/1129913235.db2.gz PZPBMULNHSFILF-KUHUBIRLSA-N 0 3 297.398 3.984 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000769540458 1129913237 /nfs/dbraw/zinc/91/32/37/1129913237.db2.gz PZPBMULNHSFILF-KUHUBIRLSA-N 0 3 297.398 3.984 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000769542064 1129916558 /nfs/dbraw/zinc/91/65/58/1129916558.db2.gz ZBHKIUAKEUHDQL-SCLBCKFNSA-N 0 3 283.371 3.594 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000769542064 1129916560 /nfs/dbraw/zinc/91/65/60/1129916560.db2.gz ZBHKIUAKEUHDQL-SCLBCKFNSA-N 0 3 283.371 3.594 20 10 CHCDHN CCc1cccc(CNCc2ccc(F)cc2F)c1O ZINC000691466493 1129920313 /nfs/dbraw/zinc/92/03/13/1129920313.db2.gz OKHXNQDMTFEGML-UHFFFAOYSA-N 0 3 277.314 3.523 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000770509642 1129949306 /nfs/dbraw/zinc/94/93/06/1129949306.db2.gz QAAUFCDWNKHPOW-INIZCTEOSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000770509642 1129949309 /nfs/dbraw/zinc/94/93/09/1129949309.db2.gz QAAUFCDWNKHPOW-INIZCTEOSA-N 0 3 271.335 3.868 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](OC)c1ccccc1 ZINC000801925280 1129960157 /nfs/dbraw/zinc/96/01/57/1129960157.db2.gz KSMJBOGVZHMORX-LJQANCHMSA-N 0 3 299.414 3.992 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](OC)c1ccccc1 ZINC000801925280 1129960158 /nfs/dbraw/zinc/96/01/58/1129960158.db2.gz KSMJBOGVZHMORX-LJQANCHMSA-N 0 3 299.414 3.992 20 10 CHCDHN CCNc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000902643236 1130034343 /nfs/dbraw/zinc/03/43/43/1130034343.db2.gz KZHTZYXZJNOSNU-ZDUSSCGKSA-N 0 3 270.376 3.675 20 10 CHCDHN COc1c(Cl)cccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000903245820 1130135507 /nfs/dbraw/zinc/13/55/07/1130135507.db2.gz JHQWAOYWLOSBGX-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CCc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000787280274 1130142755 /nfs/dbraw/zinc/14/27/55/1130142755.db2.gz VTQAQTKUEIIZQB-ZDUSSCGKSA-N 0 3 255.361 3.805 20 10 CHCDHN CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCS1 ZINC000903281821 1130144786 /nfs/dbraw/zinc/14/47/86/1130144786.db2.gz INEIOACEPDDKKQ-QWHCGFSZSA-N 0 3 277.433 3.643 20 10 CHCDHN CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000788624885 1130199226 /nfs/dbraw/zinc/19/92/26/1130199226.db2.gz HCUKQVYEZQNOBK-JVPBZIDWSA-N 0 3 299.414 3.801 20 10 CHCDHN CN(C)c1ccc(CN[C@@H]2c3ccccc3NC2(C)C)cc1 ZINC000903948573 1130212177 /nfs/dbraw/zinc/21/21/77/1130212177.db2.gz RPKXQOUWBJBRML-GOSISDBHSA-N 0 3 295.430 3.788 20 10 CHCDHN CCn1ccc(C[N@H+](C)Cc2c([O-])ccc3ccccc32)c1 ZINC000790452077 1130313683 /nfs/dbraw/zinc/31/36/83/1130313683.db2.gz RULYCYWRBIIWMO-UHFFFAOYSA-N 0 3 294.398 3.999 20 10 CHCDHN CCn1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccccc32)c1 ZINC000790452077 1130313687 /nfs/dbraw/zinc/31/36/87/1130313687.db2.gz RULYCYWRBIIWMO-UHFFFAOYSA-N 0 3 294.398 3.999 20 10 CHCDHN COc1cc(CN2CCc3cc(C)ccc3C2)c(O)cc1C ZINC000790452004 1130314672 /nfs/dbraw/zinc/31/46/72/1130314672.db2.gz OCNSUJIRPMQFMB-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN CC[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccccc1[O-] ZINC001137320006 1130345306 /nfs/dbraw/zinc/34/53/06/1130345306.db2.gz UGJTURVFFDHTFK-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN CC[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccccc1[O-] ZINC001137320006 1130345311 /nfs/dbraw/zinc/34/53/11/1130345311.db2.gz UGJTURVFFDHTFK-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000792192853 1130438021 /nfs/dbraw/zinc/43/80/21/1130438021.db2.gz RLPVWJFTRZQHAQ-HNNXBMFYSA-N 0 3 293.382 3.503 20 10 CHCDHN COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000793233879 1130532398 /nfs/dbraw/zinc/53/23/98/1130532398.db2.gz WEZSZUHMDFVBCP-GOSISDBHSA-N 0 3 299.414 3.520 20 10 CHCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])Oc1ccc(Cl)cc1 ZINC000758497023 1130615425 /nfs/dbraw/zinc/61/54/25/1130615425.db2.gz XPELUQCTLAPCID-LBPRGKRZSA-N 0 3 291.778 3.603 20 10 CHCDHN COc1ccc2ccc([O-])c(C[NH+]3CC4(C3)CCCC4)c2c1 ZINC001234526496 1130654636 /nfs/dbraw/zinc/65/46/36/1130654636.db2.gz WLSQVBSORKKDAI-UHFFFAOYSA-N 0 3 297.398 3.930 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)CC34CC4)c2c1 ZINC001234569096 1130657052 /nfs/dbraw/zinc/65/70/52/1130657052.db2.gz JKSDPEJJTFIHHF-ZDUSSCGKSA-N 0 3 297.398 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)CC34CC4)c2c1 ZINC001234569096 1130657056 /nfs/dbraw/zinc/65/70/56/1130657056.db2.gz JKSDPEJJTFIHHF-ZDUSSCGKSA-N 0 3 297.398 3.928 20 10 CHCDHN C[C@@H]1COCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234989286 1130699755 /nfs/dbraw/zinc/69/97/55/1130699755.db2.gz CGRDVGSKNPPXME-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN C[C@@H]1COCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234989286 1130699758 /nfs/dbraw/zinc/69/97/58/1130699758.db2.gz CGRDVGSKNPPXME-HNNXBMFYSA-N 0 3 297.398 3.528 20 10 CHCDHN COC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234989589 1130700267 /nfs/dbraw/zinc/70/02/67/1130700267.db2.gz FAKDZQCYNVBDOU-UHFFFAOYSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000782053100 1130753012 /nfs/dbraw/zinc/75/30/12/1130753012.db2.gz OSSRJPQJRWDACH-CABCVRRESA-N 0 3 281.399 3.848 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2CCC(CF)CC2)c([O-])c1 ZINC001235686209 1130767632 /nfs/dbraw/zinc/76/76/32/1130767632.db2.gz YPIAUWLYAIBZQS-UHFFFAOYSA-N 0 3 279.399 3.871 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC001235685567 1130768107 /nfs/dbraw/zinc/76/81/07/1130768107.db2.gz QUDXQQSDTVPNNR-INIZCTEOSA-N 0 3 295.373 3.921 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC001235685567 1130768112 /nfs/dbraw/zinc/76/81/12/1130768112.db2.gz QUDXQQSDTVPNNR-INIZCTEOSA-N 0 3 295.373 3.921 20 10 CHCDHN Nc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 ZINC001235811496 1130782180 /nfs/dbraw/zinc/78/21/80/1130782180.db2.gz RGHTUTRVKKOTDV-KRWDZBQOSA-N 0 3 284.428 3.559 20 10 CHCDHN CCCc1nc(C)c(CN[C@@H](CC)c2ccccc2O)o1 ZINC000813886101 1130795023 /nfs/dbraw/zinc/79/50/23/1130795023.db2.gz VXUMVAPCMZBZLD-AWEZNQCLSA-N 0 3 288.391 3.882 20 10 CHCDHN C[C@H](CCc1cccc(F)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000783424589 1130823818 /nfs/dbraw/zinc/82/38/18/1130823818.db2.gz PBDYXAVBUPGNTO-CQSZACIVSA-N 0 3 287.378 3.984 20 10 CHCDHN C[C@H](CCc1cccc(F)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000783424589 1130823824 /nfs/dbraw/zinc/82/38/24/1130823824.db2.gz PBDYXAVBUPGNTO-CQSZACIVSA-N 0 3 287.378 3.984 20 10 CHCDHN CC(C)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000783507967 1130830530 /nfs/dbraw/zinc/83/05/30/1130830530.db2.gz KRHSKVZCJUBPTJ-KRWDZBQOSA-N 0 3 291.435 3.809 20 10 CHCDHN CC(C)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000783507967 1130830537 /nfs/dbraw/zinc/83/05/37/1130830537.db2.gz KRHSKVZCJUBPTJ-KRWDZBQOSA-N 0 3 291.435 3.809 20 10 CHCDHN C[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])c1cccc(F)c1 ZINC000783500448 1130830588 /nfs/dbraw/zinc/83/05/88/1130830588.db2.gz GQXDJWKGXBCCNN-QWHCGFSZSA-N 0 3 273.351 3.986 20 10 CHCDHN CCN(CC)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])CC(C)C ZINC000783500517 1130831159 /nfs/dbraw/zinc/83/11/59/1130831159.db2.gz WOXDURGVLCKMOU-CVEARBPZSA-N 0 3 292.467 3.799 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000783508744 1130831287 /nfs/dbraw/zinc/83/12/87/1130831287.db2.gz KQTZGACBWVIIDO-STQMWFEESA-N 0 3 273.351 3.986 20 10 CHCDHN Cc1cccc(C)c1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783517748 1130832193 /nfs/dbraw/zinc/83/21/93/1130832193.db2.gz IFNBUCUBHCBRCO-HNNXBMFYSA-N 0 3 269.388 3.902 20 10 CHCDHN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccccc1[O-] ZINC000783522543 1130833698 /nfs/dbraw/zinc/83/36/98/1130833698.db2.gz PFRFMCZHAWJXET-LXIYXOSZSA-N 0 3 267.372 3.976 20 10 CHCDHN C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccccc1[O-] ZINC000783526054 1130834826 /nfs/dbraw/zinc/83/48/26/1130834826.db2.gz RGAXDWVQTXPHPC-SJCJKPOMSA-N 0 3 268.360 3.589 20 10 CHCDHN CCOCC(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000815148339 1130966969 /nfs/dbraw/zinc/96/69/69/1130966969.db2.gz SPOKJFGNFVRHFN-UHFFFAOYSA-N 0 3 299.414 3.964 20 10 CHCDHN CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815555290 1130998261 /nfs/dbraw/zinc/99/82/61/1130998261.db2.gz VNXPDLHOQVSEEI-MRXNPFEDSA-N 0 3 255.361 3.676 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([O-])c1 ZINC001236787245 1131005827 /nfs/dbraw/zinc/00/58/27/1131005827.db2.gz APSULZJHMJSYTI-GOEBONIOSA-N 0 3 259.393 3.719 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c([O-])c1 ZINC001236787245 1131005833 /nfs/dbraw/zinc/00/58/33/1131005833.db2.gz APSULZJHMJSYTI-GOEBONIOSA-N 0 3 259.393 3.719 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c([O-])c1 ZINC000815598013 1131006579 /nfs/dbraw/zinc/00/65/79/1131006579.db2.gz KQPKOKNADFUWCT-YOEHRIQHSA-N 0 3 293.451 3.703 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001236825666 1131015618 /nfs/dbraw/zinc/01/56/18/1131015618.db2.gz BEBNGDXKUISIFT-APWZRJJASA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001236825666 1131015624 /nfs/dbraw/zinc/01/56/24/1131015624.db2.gz BEBNGDXKUISIFT-APWZRJJASA-N 0 3 297.398 3.546 20 10 CHCDHN C[C@]1(F)CCC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236826094 1131016029 /nfs/dbraw/zinc/01/60/29/1131016029.db2.gz GUNLKAMODUUQCJ-KRWDZBQOSA-N 0 3 273.351 3.869 20 10 CHCDHN C[C@]1(F)CCC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236826094 1131016034 /nfs/dbraw/zinc/01/60/34/1131016034.db2.gz GUNLKAMODUUQCJ-KRWDZBQOSA-N 0 3 273.351 3.869 20 10 CHCDHN CCCO[C@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834713 1131018121 /nfs/dbraw/zinc/01/81/21/1131018121.db2.gz AZKHQIZEQUQIDT-KRWDZBQOSA-N 0 3 285.387 3.546 20 10 CHCDHN CCCO[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236834713 1131018126 /nfs/dbraw/zinc/01/81/26/1131018126.db2.gz AZKHQIZEQUQIDT-KRWDZBQOSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236838162 1131018212 /nfs/dbraw/zinc/01/82/12/1131018212.db2.gz WPXLEQCWXJZMNU-MRXNPFEDSA-N 0 3 255.361 3.920 20 10 CHCDHN CC[C@@H]1CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236838162 1131018217 /nfs/dbraw/zinc/01/82/17/1131018217.db2.gz WPXLEQCWXJZMNU-MRXNPFEDSA-N 0 3 255.361 3.920 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC2CCC1CC2 ZINC001236832766 1131018519 /nfs/dbraw/zinc/01/85/19/1131018519.db2.gz KVUUASMPKUTHBP-UHFFFAOYSA-N 0 3 267.372 3.920 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC2CCC1CC2 ZINC001236832766 1131018525 /nfs/dbraw/zinc/01/85/25/1131018525.db2.gz KVUUASMPKUTHBP-UHFFFAOYSA-N 0 3 267.372 3.920 20 10 CHCDHN CO[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])[C@H](C)C1 ZINC001236834593 1131018770 /nfs/dbraw/zinc/01/87/70/1131018770.db2.gz BWPNZEOVYJUOCV-CXAGYDPISA-N 0 3 285.387 3.545 20 10 CHCDHN CO[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])[C@H](C)C1 ZINC001236834593 1131018775 /nfs/dbraw/zinc/01/87/75/1131018775.db2.gz BWPNZEOVYJUOCV-CXAGYDPISA-N 0 3 285.387 3.545 20 10 CHCDHN C[N@H+](CCc1cccnc1)Cc1cc2ccccc2cc1[O-] ZINC001236832619 1131019335 /nfs/dbraw/zinc/01/93/35/1131019335.db2.gz JGYMRMYPGZMCQO-UHFFFAOYSA-N 0 3 292.382 3.615 20 10 CHCDHN C[N@@H+](CCc1cccnc1)Cc1cc2ccccc2cc1[O-] ZINC001236832619 1131019337 /nfs/dbraw/zinc/01/93/37/1131019337.db2.gz JGYMRMYPGZMCQO-UHFFFAOYSA-N 0 3 292.382 3.615 20 10 CHCDHN CC(C)c1ccc(CN2CC3(C2)C[C@@H](F)CS3)c(O)c1 ZINC001237049433 1131039849 /nfs/dbraw/zinc/03/98/49/1131039849.db2.gz OVNVOIGCQAWDAT-CQSZACIVSA-N 0 3 295.423 3.545 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c([O-])c1 ZINC001237048915 1131040906 /nfs/dbraw/zinc/04/09/06/1131040906.db2.gz JTJGFVMKHVQSDU-GOSISDBHSA-N 0 3 289.419 3.518 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c([O-])c1 ZINC001237048915 1131040912 /nfs/dbraw/zinc/04/09/12/1131040912.db2.gz JTJGFVMKHVQSDU-GOSISDBHSA-N 0 3 289.419 3.518 20 10 CHCDHN CC(C)c1ccc(CN(C)Cc2cccnc2)c(O)c1 ZINC001237048818 1131041187 /nfs/dbraw/zinc/04/11/87/1131041187.db2.gz WSGGGUGXIUQEGP-UHFFFAOYSA-N 0 3 270.376 3.543 20 10 CHCDHN CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237047852 1131041217 /nfs/dbraw/zinc/04/12/17/1131041217.db2.gz AIKABYRNMCBZDY-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237047852 1131041224 /nfs/dbraw/zinc/04/12/24/1131041224.db2.gz AIKABYRNMCBZDY-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c([O-])c1 ZINC001237053277 1131042909 /nfs/dbraw/zinc/04/29/09/1131042909.db2.gz ICYFCAYMUARMFE-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)c([O-])c1 ZINC001237053277 1131042917 /nfs/dbraw/zinc/04/29/17/1131042917.db2.gz ICYFCAYMUARMFE-INIZCTEOSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+](C)CCc2ccncc2)c([O-])c1 ZINC001237054361 1131043877 /nfs/dbraw/zinc/04/38/77/1131043877.db2.gz WSESDTVSWSANTE-UHFFFAOYSA-N 0 3 284.403 3.585 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](C)CCc2ccncc2)c([O-])c1 ZINC001237054361 1131043882 /nfs/dbraw/zinc/04/38/82/1131043882.db2.gz WSESDTVSWSANTE-UHFFFAOYSA-N 0 3 284.403 3.585 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C2(CC2)C1 ZINC001237144017 1131058626 /nfs/dbraw/zinc/05/86/26/1131058626.db2.gz NTXLVPUZONHVJQ-JTQLQIEISA-N 0 3 285.309 3.785 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C2(CC2)C1 ZINC001237144017 1131058630 /nfs/dbraw/zinc/05/86/30/1131058630.db2.gz NTXLVPUZONHVJQ-JTQLQIEISA-N 0 3 285.309 3.785 20 10 CHCDHN CCc1cccc(C)c1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001237330959 1131086527 /nfs/dbraw/zinc/08/65/27/1131086527.db2.gz VEZHAGSFYPFQQX-UHFFFAOYSA-N 0 3 281.399 3.821 20 10 CHCDHN CCc1cccc(C)c1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001237330959 1131086534 /nfs/dbraw/zinc/08/65/34/1131086534.db2.gz VEZHAGSFYPFQQX-UHFFFAOYSA-N 0 3 281.399 3.821 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001237483725 1131103563 /nfs/dbraw/zinc/10/35/63/1131103563.db2.gz RWXKDKXHDJTVLU-AWEZNQCLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001237483725 1131103566 /nfs/dbraw/zinc/10/35/66/1131103566.db2.gz RWXKDKXHDJTVLU-AWEZNQCLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001237491055 1131103753 /nfs/dbraw/zinc/10/37/53/1131103753.db2.gz FVWUFHZTXYLFFC-CQSZACIVSA-N 0 3 277.383 3.805 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001237482148 1131104312 /nfs/dbraw/zinc/10/43/12/1131104312.db2.gz JTULMJZLGCOKGX-AWEZNQCLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001237482148 1131104314 /nfs/dbraw/zinc/10/43/14/1131104314.db2.gz JTULMJZLGCOKGX-AWEZNQCLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001237487768 1131104998 /nfs/dbraw/zinc/10/49/98/1131104998.db2.gz MXYDMWRCFWLGKN-GDBMZVCRSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001237487768 1131105002 /nfs/dbraw/zinc/10/50/02/1131105002.db2.gz MXYDMWRCFWLGKN-GDBMZVCRSA-N 0 3 259.393 3.855 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)c([O-])c1 ZINC000816625247 1131112591 /nfs/dbraw/zinc/11/25/91/1131112591.db2.gz YEOQOWGVZUDKBN-INIZCTEOSA-N 0 3 277.408 3.657 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)c([O-])c1 ZINC000816625247 1131112593 /nfs/dbraw/zinc/11/25/93/1131112593.db2.gz YEOQOWGVZUDKBN-INIZCTEOSA-N 0 3 277.408 3.657 20 10 CHCDHN CCC[N@H+](CC)Cc1cc(Br)c(C)cc1[O-] ZINC001237676521 1131126706 /nfs/dbraw/zinc/12/67/06/1131126706.db2.gz KBYIJIIERWXJLN-UHFFFAOYSA-N 0 3 286.213 3.695 20 10 CHCDHN CCC[N@@H+](CC)Cc1cc(Br)c(C)cc1[O-] ZINC001237676521 1131126709 /nfs/dbraw/zinc/12/67/09/1131126709.db2.gz KBYIJIIERWXJLN-UHFFFAOYSA-N 0 3 286.213 3.695 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1[O-] ZINC000816619849 1131118128 /nfs/dbraw/zinc/11/81/28/1131118128.db2.gz XXCBBHGZSLBPGM-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1[O-] ZINC000816619849 1131118130 /nfs/dbraw/zinc/11/81/30/1131118130.db2.gz XXCBBHGZSLBPGM-INIZCTEOSA-N 0 3 297.398 3.780 20 10 CHCDHN CCN(Cc1cccnc1)Cc1cc(Cl)cc(C)c1O ZINC001237685496 1131126719 /nfs/dbraw/zinc/12/67/19/1131126719.db2.gz DCYHIHKADFNCHF-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(C)c1[O-] ZINC001237685496 1131126721 /nfs/dbraw/zinc/12/67/21/1131126721.db2.gz DCYHIHKADFNCHF-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(C)c1[O-] ZINC001237685496 1131126725 /nfs/dbraw/zinc/12/67/25/1131126725.db2.gz DCYHIHKADFNCHF-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN CC[N@H+](Cc1ccccc1)Cc1cc(F)cc(C)c1[O-] ZINC001238055738 1131164558 /nfs/dbraw/zinc/16/45/58/1131164558.db2.gz CVURQXKNXBPKKQ-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(C)c1[O-] ZINC001238055738 1131164560 /nfs/dbraw/zinc/16/45/60/1131164560.db2.gz CVURQXKNXBPKKQ-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1[O-] ZINC001238056374 1131165712 /nfs/dbraw/zinc/16/57/12/1131165712.db2.gz HTESCPOZTUKUQX-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1[O-] ZINC001238056374 1131165715 /nfs/dbraw/zinc/16/57/15/1131165715.db2.gz HTESCPOZTUKUQX-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc(F)ccc1[O-] ZINC000817588308 1131174035 /nfs/dbraw/zinc/17/40/35/1131174035.db2.gz DGGBLCCTZKXSOF-RYUDHWBXSA-N 0 3 295.423 3.715 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccccc1[O-] ZINC000817590663 1131175398 /nfs/dbraw/zinc/17/53/98/1131175398.db2.gz ZOXZNMYCHBQCKV-STQMWFEESA-N 0 3 277.433 3.576 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)c([O-])c1 ZINC000817977971 1131195656 /nfs/dbraw/zinc/19/56/56/1131195656.db2.gz SFWZQHUNSFSESS-CQSZACIVSA-N 0 3 296.414 3.910 20 10 CHCDHN Cc1cc(CN(C)Cc2ccccc2O)cnc1C1CC1 ZINC001238626095 1131224932 /nfs/dbraw/zinc/22/49/32/1131224932.db2.gz VGWZBPKTJIKINY-UHFFFAOYSA-N 0 3 282.387 3.605 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000824483855 1131470481 /nfs/dbraw/zinc/47/04/81/1131470481.db2.gz VTDNRHOTIKTZPH-LBPRGKRZSA-N 0 3 289.375 3.510 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCCC2CCOCC2)c1[O-] ZINC000824477381 1131470598 /nfs/dbraw/zinc/47/05/98/1131470598.db2.gz QXQDQMBZZDDPLL-UHFFFAOYSA-N 0 3 297.826 3.650 20 10 CHCDHN Oc1cc(OCc2ccccc2)ccc1CN1CC2(CC2)C1 ZINC000824533667 1131473542 /nfs/dbraw/zinc/47/35/42/1131473542.db2.gz JIECDUIGYLHNHH-UHFFFAOYSA-N 0 3 295.382 3.567 20 10 CHCDHN CN(Cc1cccs1)c1ccc(CN2CC3(CC3)C2)cc1 ZINC000824533730 1131473628 /nfs/dbraw/zinc/47/36/28/1131473628.db2.gz LOSJKIAOBIOTAY-UHFFFAOYSA-N 0 3 298.455 3.980 20 10 CHCDHN CC[C@H]([NH2+]CC1(COC)CCCC1)c1ccccc1[O-] ZINC000825244891 1131504642 /nfs/dbraw/zinc/50/46/42/1131504642.db2.gz AJPKZAITVVNANS-HNNXBMFYSA-N 0 3 277.408 3.640 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccccc1[O-] ZINC000844924561 1131608507 /nfs/dbraw/zinc/60/85/07/1131608507.db2.gz LXAIIQXBMWQGMY-ZBFHGGJFSA-N 0 3 296.414 3.860 20 10 CHCDHN Oc1cccc2c1CN(Cc1ccccc1C(F)F)CC2 ZINC001139800719 1131637610 /nfs/dbraw/zinc/63/76/10/1131637610.db2.gz WMNCSULUDZPNBX-UHFFFAOYSA-N 0 3 289.325 3.888 20 10 CHCDHN CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000834554455 1131683348 /nfs/dbraw/zinc/68/33/48/1131683348.db2.gz AXRSMAZZQMHNSP-OAHLLOKOSA-N 0 3 273.401 3.924 20 10 CHCDHN Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)o1 ZINC000834602540 1131686622 /nfs/dbraw/zinc/68/66/22/1131686622.db2.gz RYACVLIHSJGXFS-BLLLJJGKSA-N 0 3 285.387 3.892 20 10 CHCDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1CCCCO1 ZINC000834680628 1131693641 /nfs/dbraw/zinc/69/36/41/1131693641.db2.gz CYDLMTYWJCUSEO-ZBFHGGJFSA-N 0 3 289.419 3.564 20 10 CHCDHN C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1cc(F)ccc1[O-] ZINC000846185227 1131697886 /nfs/dbraw/zinc/69/78/86/1131697886.db2.gz RESCNIYONLGIMF-CUOATXAZSA-N 0 3 289.753 3.887 20 10 CHCDHN C[C@]1(CC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@@]1(F)Cl ZINC000846184292 1131697937 /nfs/dbraw/zinc/69/79/37/1131697937.db2.gz JLMWVOXKMZKOTB-UGFHNGPFSA-N 0 3 283.774 3.674 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC)c1ccc(C)cc1[O-] ZINC000846201037 1131699904 /nfs/dbraw/zinc/69/99/04/1131699904.db2.gz INVNABVUUOAAHR-BFYDXBDKSA-N 0 3 277.408 3.699 20 10 CHCDHN CSc1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834790559 1131705714 /nfs/dbraw/zinc/70/57/14/1131705714.db2.gz RXSOGXBYCHIYDK-MRXNPFEDSA-N 0 3 299.439 3.934 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccccc1[O-] ZINC000834817875 1131707889 /nfs/dbraw/zinc/70/78/89/1131707889.db2.gz DTAHJKBGBIAZFN-QWHCGFSZSA-N 0 3 285.412 3.932 20 10 CHCDHN CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000834843801 1131711929 /nfs/dbraw/zinc/71/19/29/1131711929.db2.gz MBQWWKBGWPMNGP-CVEARBPZSA-N 0 3 290.451 3.553 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccnc(C)c2)cc1 ZINC000834859924 1131712918 /nfs/dbraw/zinc/71/29/18/1131712918.db2.gz LYZZYDILGURISP-OAHLLOKOSA-N 0 3 283.419 3.697 20 10 CHCDHN C[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1(Cl)Cl ZINC000834884050 1131717757 /nfs/dbraw/zinc/71/77/57/1131717757.db2.gz IRVJOGHYFHNFAC-GXFFZTMASA-N 0 3 286.202 3.553 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2cnccc2C)cc1 ZINC000834886298 1131718302 /nfs/dbraw/zinc/71/83/02/1131718302.db2.gz BIWXOMAXVFXOAP-OAHLLOKOSA-N 0 3 283.419 3.697 20 10 CHCDHN CCO[C@@H]1CCC[C@H]1[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000834914810 1131733235 /nfs/dbraw/zinc/73/32/35/1131733235.db2.gz WNXJWQVKBBVSGW-BFYDXBDKSA-N 0 3 277.408 3.699 20 10 CHCDHN C[C@H](c1cccnc1)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835048545 1131765723 /nfs/dbraw/zinc/76/57/23/1131765723.db2.gz UJMVUKKRJVRYRS-MWWKQMNYSA-N 0 3 295.430 3.854 20 10 CHCDHN CCN(C/C=C/c1ccc(N(C)C)cc1)Cc1ccncc1 ZINC000835054828 1131766788 /nfs/dbraw/zinc/76/67/88/1131766788.db2.gz ZKALTQKUCAPAFY-AATRIKPKSA-N 0 3 295.430 3.683 20 10 CHCDHN Cc1cc(CN[C@H](C)c2ccsc2)ccc1N(C)C ZINC000772994837 1131873438 /nfs/dbraw/zinc/87/34/38/1131873438.db2.gz BSKUDTBBMFFJSJ-CYBMUJFWSA-N 0 3 274.433 3.973 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1[O-] ZINC000282753118 1131892928 /nfs/dbraw/zinc/89/29/28/1131892928.db2.gz NUZSSLRJUNBSIV-NEPJUHHUSA-N 0 3 269.335 3.868 20 10 CHCDHN CCN(Cc1[nH]cc(C)c1C)Cc1ccc(N(C)C)cc1 ZINC001140864304 1131952809 /nfs/dbraw/zinc/95/28/09/1131952809.db2.gz MUDODDQNDQAJRK-UHFFFAOYSA-N 0 3 285.435 3.720 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1C[C@H]3CC[C@@H](C1)S3)CC2 ZINC000716059074 1132004186 /nfs/dbraw/zinc/00/41/86/1132004186.db2.gz IDMXPWXMKNODKX-FBAPMCOASA-N 0 3 289.444 3.643 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2c(F)cccc2C1 ZINC001171436872 1132015004 /nfs/dbraw/zinc/01/50/04/1132015004.db2.gz GZGZXQQHJUVWJJ-OAHLLOKOSA-N 0 3 285.362 3.521 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2c(F)cccc2C1 ZINC001171436872 1132015011 /nfs/dbraw/zinc/01/50/11/1132015011.db2.gz GZGZXQQHJUVWJJ-OAHLLOKOSA-N 0 3 285.362 3.521 20 10 CHCDHN C[C@H]([NH2+][C@H]1CSc2ccccc2C1)c1ccccc1[O-] ZINC001172188747 1132137575 /nfs/dbraw/zinc/13/75/75/1132137575.db2.gz WDEDXLPGOVMSFL-GXTWGEPZSA-N 0 3 285.412 3.760 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CSc2ccccc2C1 ZINC001172206333 1132140742 /nfs/dbraw/zinc/14/07/42/1132140742.db2.gz OQUYIILFLMYUSQ-HNNXBMFYSA-N 0 3 285.412 3.541 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CSc2ccccc2C1 ZINC001172206333 1132140743 /nfs/dbraw/zinc/14/07/43/1132140743.db2.gz OQUYIILFLMYUSQ-HNNXBMFYSA-N 0 3 285.412 3.541 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CSc2ccccc2C1 ZINC001172206568 1132140791 /nfs/dbraw/zinc/14/07/91/1132140791.db2.gz ROWSJTXYMFCXCA-MRXNPFEDSA-N 0 3 299.439 3.931 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CSc2ccccc2C1 ZINC001172206568 1132140793 /nfs/dbraw/zinc/14/07/93/1132140793.db2.gz ROWSJTXYMFCXCA-MRXNPFEDSA-N 0 3 299.439 3.931 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1cnccn1)C1CCCCC1 ZINC000838781285 1132145292 /nfs/dbraw/zinc/14/52/92/1132145292.db2.gz IBLURORBJZAHMY-UHFFFAOYSA-N 0 3 297.402 3.517 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1cnccn1)C1CCCCC1 ZINC000838781285 1132145293 /nfs/dbraw/zinc/14/52/93/1132145293.db2.gz IBLURORBJZAHMY-UHFFFAOYSA-N 0 3 297.402 3.517 20 10 CHCDHN Oc1cccc2c1CN(Cc1coc3ccc(F)cc13)CC2 ZINC001141856815 1132257735 /nfs/dbraw/zinc/25/77/35/1132257735.db2.gz SGPYBSPPWRBEDV-UHFFFAOYSA-N 0 3 297.329 3.836 20 10 CHCDHN COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000840889625 1132303890 /nfs/dbraw/zinc/30/38/90/1132303890.db2.gz SSDZFMORASZSED-XUWXXGDYSA-N 0 3 297.398 3.855 20 10 CHCDHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)[C@](C)(CO)C1 ZINC001231587617 1132318562 /nfs/dbraw/zinc/31/85/62/1132318562.db2.gz WSCZROIFCKLRNX-IBGZPJMESA-N 0 3 299.414 3.528 20 10 CHCDHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@](C)(CO)C1 ZINC001231587617 1132318571 /nfs/dbraw/zinc/31/85/71/1132318571.db2.gz WSCZROIFCKLRNX-IBGZPJMESA-N 0 3 299.414 3.528 20 10 CHCDHN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC001231591079 1132319602 /nfs/dbraw/zinc/31/96/02/1132319602.db2.gz SGULNBCMIDOQEK-XYPWUTKMSA-N 0 3 297.398 3.687 20 10 CHCDHN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC001231591079 1132319606 /nfs/dbraw/zinc/31/96/06/1132319606.db2.gz SGULNBCMIDOQEK-XYPWUTKMSA-N 0 3 297.398 3.687 20 10 CHCDHN Cc1cccc(CN2CCc3ccc(Cl)cc3C2)c1O ZINC001231591270 1132321493 /nfs/dbraw/zinc/32/14/93/1132321493.db2.gz YKUWBKYOBFRPGR-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN Cc1cc(C)c(CN(Cc2ccco2)C2CC2)c(O)c1 ZINC001231849153 1132378057 /nfs/dbraw/zinc/37/80/57/1132378057.db2.gz OUIPPIPKVQEJGB-UHFFFAOYSA-N 0 3 271.360 3.767 20 10 CHCDHN COc1cc(N(C)C)ccc1CN1CC2(C1)CCCCC2 ZINC001231855456 1132379152 /nfs/dbraw/zinc/37/91/52/1132379152.db2.gz VJILSIQDUSDNRA-UHFFFAOYSA-N 0 3 288.435 3.527 20 10 CHCDHN CC[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccccc1[O-] ZINC000841760453 1132394905 /nfs/dbraw/zinc/39/49/05/1132394905.db2.gz FLDUTHAHSPIJOB-RDJZCZTQSA-N 0 3 291.435 3.764 20 10 CHCDHN CC[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)OC ZINC000842149095 1132410206 /nfs/dbraw/zinc/41/02/06/1132410206.db2.gz VZHOYHLROIYPME-MRXNPFEDSA-N 0 3 277.408 3.562 20 10 CHCDHN CC[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)OC ZINC000842149095 1132410210 /nfs/dbraw/zinc/41/02/10/1132410210.db2.gz VZHOYHLROIYPME-MRXNPFEDSA-N 0 3 277.408 3.562 20 10 CHCDHN CCc1ccc(C[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC001173236613 1132415416 /nfs/dbraw/zinc/41/54/16/1132415416.db2.gz BADXBPXSOIQQDP-AWEZNQCLSA-N 0 3 269.388 3.675 20 10 CHCDHN CCCC[C@@H](CC(C)C)[NH2+]Cc1cccc(O)c1[O-] ZINC001173252523 1132422624 /nfs/dbraw/zinc/42/26/24/1132422624.db2.gz JGPSAPRWCZAQLD-AWEZNQCLSA-N 0 3 265.397 3.792 20 10 CHCDHN CC(C)O[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000842613354 1132444150 /nfs/dbraw/zinc/44/41/50/1132444150.db2.gz ZMABJNIFUYMMLV-OAHLLOKOSA-N 0 3 285.387 3.545 20 10 CHCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000842613354 1132444157 /nfs/dbraw/zinc/44/41/57/1132444157.db2.gz ZMABJNIFUYMMLV-OAHLLOKOSA-N 0 3 285.387 3.545 20 10 CHCDHN COc1ccccc1C1(NCc2cc(C)c(C)cc2O)CC1 ZINC000842738887 1132456243 /nfs/dbraw/zinc/45/62/43/1132456243.db2.gz ALEJQSOMEWWWSP-UHFFFAOYSA-N 0 3 297.398 3.797 20 10 CHCDHN Cc1ccc(C2([NH2+]Cc3ccccc3[O-])CCC2)cc1 ZINC000842774515 1132460614 /nfs/dbraw/zinc/46/06/14/1132460614.db2.gz QRMJKZQOECBUFG-UHFFFAOYSA-N 0 3 267.372 3.870 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2CCC(F)CC2)c1 ZINC000842929415 1132478099 /nfs/dbraw/zinc/47/80/99/1132478099.db2.gz PYDHQBUSUVVRJV-IYXRBSQSSA-N 0 3 265.372 3.880 20 10 CHCDHN C[N@H+](Cc1cc2cccnc2s1)Cc1ccccc1[O-] ZINC001233349349 1132607827 /nfs/dbraw/zinc/60/78/27/1132607827.db2.gz OHMAMHWYEDFFEV-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN C[N@@H+](Cc1cc2cccnc2s1)Cc1ccccc1[O-] ZINC001233349349 1132607832 /nfs/dbraw/zinc/60/78/32/1132607832.db2.gz OHMAMHWYEDFFEV-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN Cc1cc2[nH]ncc2cc1Nc1ccc2c(c1)CCN2 ZINC001159522654 1132857521 /nfs/dbraw/zinc/85/75/21/1132857521.db2.gz MXHSIQMERSPWHM-UHFFFAOYSA-N 0 3 264.332 3.583 20 10 CHCDHN Cc1cnccc1Nc1cc(Cl)c(Cl)cc1O ZINC001174539037 1132899787 /nfs/dbraw/zinc/89/97/87/1132899787.db2.gz AYAKGGLXEKZNAO-UHFFFAOYSA-N 0 3 269.131 3.568 20 10 CHCDHN C[C@H](N(C)Cc1cc(F)c(N(C)C)cc1F)C1(C)CC1 ZINC001204389568 1132974519 /nfs/dbraw/zinc/97/45/19/1132974519.db2.gz NGPAEVLMQIQIGF-NSHDSACASA-N 0 3 282.378 3.651 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001203558509 1133339775 /nfs/dbraw/zinc/33/97/75/1133339775.db2.gz LKJQNHOKGPLRLA-INIZCTEOSA-N 0 3 299.389 3.986 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001203558509 1133339780 /nfs/dbraw/zinc/33/97/80/1133339780.db2.gz LKJQNHOKGPLRLA-INIZCTEOSA-N 0 3 299.389 3.986 20 10 CHCDHN Cc1ccc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)cn1 ZINC001203937873 1133386736 /nfs/dbraw/zinc/38/67/36/1133386736.db2.gz WRTMEIIUOIRNAO-LJQANCHMSA-N 0 3 295.430 3.793 20 10 CHCDHN CC[N@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1[O-] ZINC001204230760 1133423246 /nfs/dbraw/zinc/42/32/46/1133423246.db2.gz MWHRROUEVREFOW-UHFFFAOYSA-N 0 3 277.314 3.693 20 10 CHCDHN CC[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1[O-] ZINC001204230760 1133423248 /nfs/dbraw/zinc/42/32/48/1133423248.db2.gz MWHRROUEVREFOW-UHFFFAOYSA-N 0 3 277.314 3.693 20 10 CHCDHN CC[N@H+](Cc1ccc(C)c(C)c1)Cc1ccc(O)cc1[O-] ZINC001204278068 1133426606 /nfs/dbraw/zinc/42/66/06/1133426606.db2.gz RRCIADIOQLIWDU-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccc(O)cc1[O-] ZINC001204278068 1133426609 /nfs/dbraw/zinc/42/66/09/1133426609.db2.gz RRCIADIOQLIWDU-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204273038 1133426694 /nfs/dbraw/zinc/42/66/94/1133426694.db2.gz JWYFCNSLAKCZAL-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204273038 1133426700 /nfs/dbraw/zinc/42/67/00/1133426700.db2.gz JWYFCNSLAKCZAL-KRWDZBQOSA-N 0 3 283.371 3.743 20 10 CHCDHN CCSCC[C@H](C)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001204348032 1133438189 /nfs/dbraw/zinc/43/81/89/1133438189.db2.gz NPRZNCRGFNSRKY-ZDUSSCGKSA-N 0 3 267.438 3.664 20 10 CHCDHN CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001204348032 1133438192 /nfs/dbraw/zinc/43/81/92/1133438192.db2.gz NPRZNCRGFNSRKY-ZDUSSCGKSA-N 0 3 267.438 3.664 20 10 CHCDHN CCc1cccc(CN(C)Cc2ccc(F)c(F)c2)c1O ZINC001205070816 1133524144 /nfs/dbraw/zinc/52/41/44/1133524144.db2.gz ZJLLSOLSAMGCTJ-UHFFFAOYSA-N 0 3 291.341 3.865 20 10 CHCDHN CC1=C[C@@H](C)[C@H](C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001208184008 1133900891 /nfs/dbraw/zinc/90/08/91/1133900891.db2.gz ZMQNCEMLDDXNEK-ZBFHGGJFSA-N 0 3 271.404 3.743 20 10 CHCDHN CC1=C[C@@H](C)[C@H](C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001208184008 1133900893 /nfs/dbraw/zinc/90/08/93/1133900893.db2.gz ZMQNCEMLDDXNEK-ZBFHGGJFSA-N 0 3 271.404 3.743 20 10 CHCDHN C[N@H+](CCCCOCc1ccccc1)Cc1ccccc1[O-] ZINC001209265460 1133997649 /nfs/dbraw/zinc/99/76/49/1133997649.db2.gz RJNUKQOZBQTATM-UHFFFAOYSA-N 0 3 299.414 3.821 20 10 CHCDHN C[N@@H+](CCCCOCc1ccccc1)Cc1ccccc1[O-] ZINC001209265460 1133997655 /nfs/dbraw/zinc/99/76/55/1133997655.db2.gz RJNUKQOZBQTATM-UHFFFAOYSA-N 0 3 299.414 3.821 20 10 CHCDHN C[C@H]([NH2+]CCCc1ccccc1)c1ccccc1[O-] ZINC000020122710 171003195 /nfs/dbraw/zinc/00/31/95/171003195.db2.gz HVPBWOHQOVKLLO-AWEZNQCLSA-N 0 3 255.361 3.676 20 10 CHCDHN Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)c1cccnc1 ZINC000020127812 171014112 /nfs/dbraw/zinc/01/41/12/171014112.db2.gz CURACHQIEXDXDQ-YDHLFZDLSA-N 0 3 282.387 3.995 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000020129742 171017979 /nfs/dbraw/zinc/01/79/79/171017979.db2.gz JAMZRKGHGBRESE-WBMJQRKESA-N 0 3 253.345 3.730 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1[O-] ZINC000020138420 171025993 /nfs/dbraw/zinc/02/59/93/171025993.db2.gz FQZVUQXSEHCDGS-CQSZACIVSA-N 0 3 285.387 3.512 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1[O-] ZINC000020145319 171030465 /nfs/dbraw/zinc/03/04/65/171030465.db2.gz DCZOBUGCHSDJGN-NSHDSACASA-N 0 3 293.313 3.844 20 10 CHCDHN Cc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000035628841 172308048 /nfs/dbraw/zinc/30/80/48/172308048.db2.gz RTJAFVQLWKWYKM-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccccc2F)c1 ZINC000035628679 260030789 /nfs/dbraw/zinc/03/07/89/260030789.db2.gz PEXGKXWYYNVDCM-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccccc1[O-] ZINC000155679754 261106126 /nfs/dbraw/zinc/10/61/26/261106126.db2.gz WTLYUUOENBRCRN-WBVHZDCISA-N 0 3 290.451 3.553 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c([O-])c1C ZINC000157885592 261155007 /nfs/dbraw/zinc/15/50/07/261155007.db2.gz IXMIHGNVQVAYBV-LXZKKBNFSA-N 0 3 289.419 3.617 20 10 CHCDHN CC[C@H](N[C@@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000158521453 261166334 /nfs/dbraw/zinc/16/63/34/261166334.db2.gz MDNDANHTOKLQGS-KSSFIOAISA-N 0 3 283.419 3.950 20 10 CHCDHN CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163666759 261324320 /nfs/dbraw/zinc/32/43/20/261324320.db2.gz WUKVVCXBRNNFMT-KSSFIOAISA-N 0 3 283.419 3.950 20 10 CHCDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184916417 262033136 /nfs/dbraw/zinc/03/31/36/262033136.db2.gz SYRODAFNBVPLRY-CYBMUJFWSA-N 0 3 298.386 3.510 20 10 CHCDHN C[C@@H](NCc1ccoc1)c1cc2c(cc1O)CCCC2 ZINC000185106775 262041859 /nfs/dbraw/zinc/04/18/59/262041859.db2.gz HPFLVAXMGADEBL-GFCCVEGCSA-N 0 3 271.360 3.715 20 10 CHCDHN CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185621129 262063053 /nfs/dbraw/zinc/06/30/53/262063053.db2.gz TXNKJUQOGVEQND-AWEZNQCLSA-N 0 3 279.424 3.540 20 10 CHCDHN COC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000186034960 262076124 /nfs/dbraw/zinc/07/61/24/262076124.db2.gz WSCIRYJZTHGHLW-YOEHRIQHSA-N 0 3 285.387 3.739 20 10 CHCDHN CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccccc1[O-] ZINC000186100807 262079877 /nfs/dbraw/zinc/07/98/77/262079877.db2.gz OOUXEBMOQBYVMV-KRWDZBQOSA-N 0 3 290.451 3.553 20 10 CHCDHN CCOCCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000186116067 262080296 /nfs/dbraw/zinc/08/02/96/262080296.db2.gz NQEGZWPVQFHXBM-OAHLLOKOSA-N 0 3 291.435 3.948 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1[O-] ZINC000186130180 262081317 /nfs/dbraw/zinc/08/13/17/262081317.db2.gz ZGZKOAMUOBOERS-OCCSQVGLSA-N 0 3 293.382 3.674 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccccc1[O-] ZINC000186207787 262084671 /nfs/dbraw/zinc/08/46/71/262084671.db2.gz HSXDEFPATSDSEA-AEFFLSMTSA-N 0 3 299.414 3.599 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(C)cc1[O-] ZINC000280161350 522683800 /nfs/dbraw/zinc/68/38/00/522683800.db2.gz QSJNJYGQZHNYGP-HOCLYGCPSA-N 0 3 279.424 3.537 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000185351798 327838264 /nfs/dbraw/zinc/83/82/64/327838264.db2.gz PHGRNITXQXJBFA-ZIAGYGMSSA-N 0 3 285.387 3.688 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccncc1 ZINC000185541895 327840535 /nfs/dbraw/zinc/84/05/35/327840535.db2.gz SRAKESJUTGGJFD-ABAIWWIYSA-N 0 3 274.339 3.728 20 10 CHCDHN CC[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OC)c1[O-] ZINC000527760701 326865567 /nfs/dbraw/zinc/86/55/67/326865567.db2.gz HTTKUHAUIDJFMM-KRWDZBQOSA-N 0 3 299.414 3.902 20 10 CHCDHN COc1ccccc1C(C)(C)NCc1ccc(N(C)C)cc1 ZINC000103172073 327233653 /nfs/dbraw/zinc/23/36/53/327233653.db2.gz ZRGAPZNPTJEOQA-UHFFFAOYSA-N 0 3 298.430 3.786 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000403399838 327331185 /nfs/dbraw/zinc/33/11/85/327331185.db2.gz OMJAJUZTWRGQTM-UTUOFQBUSA-N 0 3 295.810 3.580 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H]2CCCOC2)c1[O-] ZINC000527925536 330296462 /nfs/dbraw/zinc/29/64/62/330296462.db2.gz MLGQMLYJFKPDKF-QWHCGFSZSA-N 0 3 297.826 3.821 20 10 CHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(CCOC)CC1 ZINC000527936803 330298020 /nfs/dbraw/zinc/29/80/20/330298020.db2.gz RZQJKXBJAZDSLQ-INIZCTEOSA-N 0 3 277.408 3.592 20 10 CHCDHN Cc1ncccc1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000527989344 330299172 /nfs/dbraw/zinc/29/91/72/330299172.db2.gz YBBAQZIGQAGBHX-HZMBPMFUSA-N 0 3 286.350 3.573 20 10 CHCDHN COc1ccc([C@H]([NH2+][C@@H](C)c2ccccc2[O-])C2CC2)cn1 ZINC000528041625 330305789 /nfs/dbraw/zinc/30/57/89/330305789.db2.gz BTFQBOVMGILOFG-KPZWWZAWSA-N 0 3 298.386 3.598 20 10 CHCDHN CCCC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000050886956 521153252 /nfs/dbraw/zinc/15/32/52/521153252.db2.gz SXIOGTAZOKLCKU-NWDGAFQWSA-N 0 3 251.370 3.630 20 10 CHCDHN CCC[N@H+](CCc1ccccn1)Cc1cc(C)ccc1[O-] ZINC000289835385 521673155 /nfs/dbraw/zinc/67/31/55/521673155.db2.gz OZNSUDWINSMDJH-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN CCC[N@@H+](CCc1ccccn1)Cc1cc(C)ccc1[O-] ZINC000289835385 521673157 /nfs/dbraw/zinc/67/31/57/521673157.db2.gz OZNSUDWINSMDJH-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN CCSCC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297909355 521716505 /nfs/dbraw/zinc/71/65/05/521716505.db2.gz WPELOYYUNPNNMW-WCQYABFASA-N 0 3 265.422 3.501 20 10 CHCDHN CCSc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000292742240 521755888 /nfs/dbraw/zinc/75/58/88/521755888.db2.gz HMDWJURZVCDRNB-UHFFFAOYSA-N 0 3 291.391 3.933 20 10 CHCDHN CN(C)c1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278392075 522180135 /nfs/dbraw/zinc/18/01/35/522180135.db2.gz MXLZRJLDPPCMEX-ZDUSSCGKSA-N 0 3 286.341 3.527 20 10 CHCDHN CCc1nc(C)c(CN[C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000291970940 522208965 /nfs/dbraw/zinc/20/89/65/522208965.db2.gz TZCQLCGFPXMCFT-GFCCVEGCSA-N 0 3 288.391 3.719 20 10 CHCDHN CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(C)cc1[O-] ZINC000280296092 522560568 /nfs/dbraw/zinc/56/05/68/522560568.db2.gz ZPISAYRVNIESCR-KRWDZBQOSA-N 0 3 290.451 3.614 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccccc1[O-] ZINC000289846588 522636127 /nfs/dbraw/zinc/63/61/27/522636127.db2.gz BBSPWPUSPVSTJL-BBRMVZONSA-N 0 3 283.371 3.609 20 10 CHCDHN CC[C@H](NCc1nc(C2CC2)cs1)c1ccccc1O ZINC000130134160 522669358 /nfs/dbraw/zinc/66/93/58/522669358.db2.gz OSVNEBGBJTWXCM-ZDUSSCGKSA-N 0 3 288.416 3.967 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000290192287 522694521 /nfs/dbraw/zinc/69/45/21/522694521.db2.gz GADHXXDAFZINNR-OWQGQXMQSA-N 0 3 285.387 3.555 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(C)cc1[O-] ZINC000280272577 522717063 /nfs/dbraw/zinc/71/70/63/522717063.db2.gz YABYPQNEXFHBIX-JKSUJKDBSA-N 0 3 299.418 3.552 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cccnc1)c1ccc(C)cc1[O-] ZINC000280099205 522742104 /nfs/dbraw/zinc/74/21/04/522742104.db2.gz MYRYKLNYKRNJKF-CJNGLKHVSA-N 0 3 270.376 3.898 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000280282078 522907396 /nfs/dbraw/zinc/90/73/96/522907396.db2.gz YOJYHPGKPFGZJH-XJKSGUPXSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279988775 522943788 /nfs/dbraw/zinc/94/37/88/522943788.db2.gz FFAIWBFHSOSJFY-QZTJIDSGSA-N 0 3 299.414 3.865 20 10 CHCDHN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000290488838 522968439 /nfs/dbraw/zinc/96/84/39/522968439.db2.gz OMTGQLULWYBLJN-QGZVFWFLSA-N 0 3 284.403 3.987 20 10 CHCDHN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000290488838 522968449 /nfs/dbraw/zinc/96/84/49/522968449.db2.gz OMTGQLULWYBLJN-QGZVFWFLSA-N 0 3 284.403 3.987 20 10 CHCDHN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(C)c1[O-] ZINC000290478309 523119624 /nfs/dbraw/zinc/11/96/24/523119624.db2.gz NYDRXSFBMZJPEA-INIZCTEOSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000290478309 523119634 /nfs/dbraw/zinc/11/96/34/523119634.db2.gz NYDRXSFBMZJPEA-INIZCTEOSA-N 0 3 270.376 3.679 20 10 CHCDHN COc1ccc(C)cc1[C@@H](C)NCc1cccc(C)c1O ZINC000158081556 523852080 /nfs/dbraw/zinc/85/20/80/523852080.db2.gz WFFOBUCZOZIMRK-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616806 524725695 /nfs/dbraw/zinc/72/56/95/524725695.db2.gz HBECQTMPITVVQH-NEPJUHHUSA-N 0 3 289.350 3.952 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000049577277 524764094 /nfs/dbraw/zinc/76/40/94/524764094.db2.gz ICFLZOGQQMILFY-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccsc2)c1 ZINC000061360738 524766447 /nfs/dbraw/zinc/76/64/47/524766447.db2.gz IVIFEZNDICHTPX-GHMZBOCLSA-N 0 3 277.389 3.874 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccsc2)c1 ZINC000061360738 524766454 /nfs/dbraw/zinc/76/64/54/524766454.db2.gz IVIFEZNDICHTPX-GHMZBOCLSA-N 0 3 277.389 3.874 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000094618475 525157957 /nfs/dbraw/zinc/15/79/57/525157957.db2.gz ZGOJSUWESJRWPD-NEPJUHHUSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1cc(O)c(CN(C)[C@@H](C)c2ccco2)cc1C ZINC000131068806 525312007 /nfs/dbraw/zinc/31/20/07/525312007.db2.gz CPCZWYUFRLRKAW-ZDUSSCGKSA-N 0 3 259.349 3.795 20 10 CHCDHN C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000277200037 525394699 /nfs/dbraw/zinc/39/46/99/525394699.db2.gz VQNCHDRTBMMTBY-SNVBAGLBSA-N 0 3 281.346 3.719 20 10 CHCDHN Cc1ccsc1C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000094874870 525861517 /nfs/dbraw/zinc/86/15/17/525861517.db2.gz QRCHDDVMFDLFLF-GFCCVEGCSA-N 0 3 261.390 3.921 20 10 CHCDHN COc1cccc(CN[C@H](C)c2cccc(Cl)c2)c1O ZINC000020124239 526036256 /nfs/dbraw/zinc/03/62/56/526036256.db2.gz KGPUZTKGSIQRJA-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2cccc(Cl)c2)c1[O-] ZINC000020124239 526036267 /nfs/dbraw/zinc/03/62/67/526036267.db2.gz KGPUZTKGSIQRJA-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001180136553 1121950692 /nfs/dbraw/zinc/95/06/92/1121950692.db2.gz GHUAVVXZXPFPBK-HNNXBMFYSA-N 0 3 265.372 3.932 20 10 CHCDHN CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001180136553 1121950701 /nfs/dbraw/zinc/95/07/01/1121950701.db2.gz GHUAVVXZXPFPBK-HNNXBMFYSA-N 0 3 265.372 3.932 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C)c1[O-] ZINC000775639254 1122844081 /nfs/dbraw/zinc/84/40/81/1122844081.db2.gz RIQKRZJLUZXCID-LLVKDONJSA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C)c1[O-] ZINC000775639254 1122844090 /nfs/dbraw/zinc/84/40/90/1122844090.db2.gz RIQKRZJLUZXCID-LLVKDONJSA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000866455419 1124068246 /nfs/dbraw/zinc/06/82/46/1124068246.db2.gz LKTDKVKWHKGXKL-NXEZZACHSA-N 0 3 262.378 3.569 20 10 CHCDHN C[C@]1(CC[NH2+]Cc2cc(F)ccc2[O-])CC1(Cl)Cl ZINC000824969120 1131492087 /nfs/dbraw/zinc/49/20/87/1131492087.db2.gz FBYYWJPIFQRGRK-LBPRGKRZSA-N 0 3 292.181 3.595 20 10 CHCDHN CCCCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140062879 1131661908 /nfs/dbraw/zinc/66/19/08/1131661908.db2.gz HHNKOUFBOOHKHS-UHFFFAOYSA-N 0 3 265.372 3.934 20 10 CHCDHN C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cc(F)ccc1[O-] ZINC000846185229 1131697912 /nfs/dbraw/zinc/69/79/12/1131697912.db2.gz RESCNIYONLGIMF-HERUPUMHSA-N 0 3 289.753 3.887 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC2CC(F)(F)C2)c([O-])c1 ZINC000834910324 1131729686 /nfs/dbraw/zinc/72/96/86/1131729686.db2.gz WJSUWDHQGYSIBR-NSHDSACASA-N 0 3 269.335 3.787 20 10 CHCDHN CN(C)c1ccc(CN2CCC3(CC3)CC2)c(Cl)c1 ZINC001140922093 1131963896 /nfs/dbraw/zinc/96/38/96/1131963896.db2.gz HAYGJLMTZJOFMC-UHFFFAOYSA-N 0 3 278.827 3.782 20 10 CHCDHN CCOc1ccc(CNCc2cscc2Cl)c(O)c1 ZINC000886199531 1125661030 /nfs/dbraw/zinc/66/10/30/1125661030.db2.gz ZUSLPGSAAQNCPK-UHFFFAOYSA-N 0 3 297.807 3.796 20 10 CHCDHN CCC[N@H+](CCOCCC(C)C)Cc1ccccc1[O-] ZINC000743870540 1129542256 /nfs/dbraw/zinc/54/22/56/1129542256.db2.gz WTFKGKCVFWTIDU-UHFFFAOYSA-N 0 3 279.424 3.667 20 10 CHCDHN CCC[N@@H+](CCOCCC(C)C)Cc1ccccc1[O-] ZINC000743870540 1129542257 /nfs/dbraw/zinc/54/22/57/1129542257.db2.gz WTFKGKCVFWTIDU-UHFFFAOYSA-N 0 3 279.424 3.667 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000252854566 1129598635 /nfs/dbraw/zinc/59/86/35/1129598635.db2.gz KUUJYUUAPIHUAC-GHMZBOCLSA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000252854566 1129598637 /nfs/dbraw/zinc/59/86/37/1129598637.db2.gz KUUJYUUAPIHUAC-GHMZBOCLSA-N 0 3 283.799 3.532 20 10 CHCDHN CCSCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000800492108 1129879073 /nfs/dbraw/zinc/87/90/73/1129879073.db2.gz BXSQCQSGCQTLTB-PWSUYJOCSA-N 0 3 283.412 3.812 20 10 CHCDHN Cc1oc2ccccc2c1C[NH2+]Cc1ccccc1[O-] ZINC000160791473 1126772206 /nfs/dbraw/zinc/77/22/06/1126772206.db2.gz FWEGVGUSYIHPIS-UHFFFAOYSA-N 0 3 267.328 3.737 20 10 CHCDHN CC(C)([NH2+]Cc1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000175987406 1126787990 /nfs/dbraw/zinc/78/79/90/1126787990.db2.gz YCRVQAYGUBEEEF-UHFFFAOYSA-N 0 3 277.314 3.695 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000903334463 1126801616 /nfs/dbraw/zinc/80/16/16/1126801616.db2.gz AEWHNEGFDZSWAR-KZULUSFZSA-N 0 3 298.386 3.598 20 10 CHCDHN Cc1cc(CNCc2ccc3c(c2)CCO3)c(C)s1 ZINC001649005708 1126827604 /nfs/dbraw/zinc/82/76/04/1126827604.db2.gz QWZJRYJJLYWGPJ-UHFFFAOYSA-N 0 3 273.401 3.590 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000183412562 1126887130 /nfs/dbraw/zinc/88/71/30/1126887130.db2.gz ICCBWRFPHKBHIB-HOTGVXAUSA-N 0 3 296.414 3.569 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000183475618 1126887956 /nfs/dbraw/zinc/88/79/56/1126887956.db2.gz FVTLYRJLIXAYPS-CJNGLKHVSA-N 0 3 283.371 3.957 20 10 CHCDHN C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000183559112 1126888925 /nfs/dbraw/zinc/88/89/25/1126888925.db2.gz PSNBDUGICUUBDD-ZOBUZTSGSA-N 0 3 299.414 3.598 20 10 CHCDHN COCCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCCC1 ZINC000185748016 1126902370 /nfs/dbraw/zinc/90/23/70/1126902370.db2.gz MMTSHVHZEWBART-HNNXBMFYSA-N 0 3 291.435 3.948 20 10 CHCDHN C[C@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[O-] ZINC000906594269 1126960836 /nfs/dbraw/zinc/96/08/36/1126960836.db2.gz CTSXMOLYWGBIOE-KNXALSJPSA-N 0 3 271.335 3.738 20 10 CHCDHN CCSCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168809751 1130917303 /nfs/dbraw/zinc/91/73/03/1130917303.db2.gz VEDCKHUTZBMTSN-GHMZBOCLSA-N 0 3 271.401 3.714 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2cccs2)c([O-])c1 ZINC001236794374 1131009155 /nfs/dbraw/zinc/00/91/55/1131009155.db2.gz LKKFPSGUDNIHBF-UHFFFAOYSA-N 0 3 275.417 3.691 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2cccs2)c([O-])c1 ZINC001236794374 1131009160 /nfs/dbraw/zinc/00/91/60/1131009160.db2.gz LKKFPSGUDNIHBF-UHFFFAOYSA-N 0 3 275.417 3.691 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c([O-])c1 ZINC001236794876 1131007944 /nfs/dbraw/zinc/00/79/44/1131007944.db2.gz QOQYELUJHHJSQB-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC3(CCCC3)C2)c([O-])c1 ZINC001236794876 1131007947 /nfs/dbraw/zinc/00/79/47/1131007947.db2.gz QOQYELUJHHJSQB-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CC[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccccc1[O-] ZINC000155986001 1127091267 /nfs/dbraw/zinc/09/12/67/1127091267.db2.gz BEYULNZSYXFMIK-DLBZAZTESA-N 0 3 285.387 3.557 20 10 CHCDHN Cc1cc(Br)cc(CN2CCC=C(C)C2)c1O ZINC000798090576 1131024596 /nfs/dbraw/zinc/02/45/96/1131024596.db2.gz QPUVUZUIVTYQDI-UHFFFAOYSA-N 0 3 296.208 3.615 20 10 CHCDHN CCC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001237681374 1131126421 /nfs/dbraw/zinc/12/64/21/1131126421.db2.gz OGUQIJMQYNBBOE-UHFFFAOYSA-N 0 3 267.800 3.976 20 10 CHCDHN CC[C@H]([NH2+]CCCC(C)(C)COC)c1ccccc1[O-] ZINC000287043152 1127283919 /nfs/dbraw/zinc/28/39/19/1127283919.db2.gz MJXBOFRPECBLIA-HNNXBMFYSA-N 0 3 279.424 3.886 20 10 CHCDHN CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000760902645 1127324696 /nfs/dbraw/zinc/32/46/96/1127324696.db2.gz HHFAZAHARVFUJG-PSASIEDQSA-N 0 3 279.277 3.913 20 10 CHCDHN Cc1cc(O)c(CN[C@H]2c3ccccc3O[C@@H]2C)cc1C ZINC000288544452 1127345933 /nfs/dbraw/zinc/34/59/33/1127345933.db2.gz LBBSCHLLNYNZHH-FZKQIMNGSA-N 0 3 283.371 3.621 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1[O-] ZINC000157881711 1127400987 /nfs/dbraw/zinc/40/09/87/1127400987.db2.gz OATQJUNYPQJBKZ-HIFRSBDPSA-N 0 3 277.408 3.779 20 10 CHCDHN CC[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000226565435 1127411421 /nfs/dbraw/zinc/41/14/21/1127411421.db2.gz JHVBRHNUDHHQGY-CQSZACIVSA-N 0 3 251.345 3.686 20 10 CHCDHN CC[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000226565435 1127411423 /nfs/dbraw/zinc/41/14/23/1127411423.db2.gz JHVBRHNUDHHQGY-CQSZACIVSA-N 0 3 251.345 3.686 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccccc1[O-] ZINC000360697803 1127507200 /nfs/dbraw/zinc/50/72/00/1127507200.db2.gz IYZLLBXHXMBBEW-QOKNQOGYSA-N 0 3 297.398 3.821 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2CC(F)(F)C2)c([O-])c1 ZINC000294447153 1127575693 /nfs/dbraw/zinc/57/56/93/1127575693.db2.gz VKDJBNZGSBMFAE-NSHDSACASA-N 0 3 269.335 3.705 20 10 CHCDHN Fc1cccc2c1CC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000126927015 1127598719 /nfs/dbraw/zinc/59/87/19/1127598719.db2.gz DNAIQPAAGZXSTI-KRWDZBQOSA-N 0 3 283.346 3.538 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000295783847 1127652968 /nfs/dbraw/zinc/65/29/68/1127652968.db2.gz ADELAVWGYDJSFU-ZWNOBZJWSA-N 0 3 288.416 3.538 20 10 CHCDHN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000229121206 1127650529 /nfs/dbraw/zinc/65/05/29/1127650529.db2.gz WEZAQJGVAMVYNT-GXFFZTMASA-N 0 3 283.799 3.817 20 10 CHCDHN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000229121206 1127650530 /nfs/dbraw/zinc/65/05/30/1127650530.db2.gz WEZAQJGVAMVYNT-GXFFZTMASA-N 0 3 283.799 3.817 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(C)cc1[O-] ZINC000296118406 1127662871 /nfs/dbraw/zinc/66/28/71/1127662871.db2.gz ZWUGFMTUZQZIAV-XJKSGUPXSA-N 0 3 287.407 3.719 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000296423011 1127671842 /nfs/dbraw/zinc/67/18/42/1127671842.db2.gz LNVKOIUQONEBCY-YPMHNXCESA-N 0 3 281.346 3.795 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1[C@@H]3c4ccccc4C[C@H]13)CC2 ZINC000297115480 1127688715 /nfs/dbraw/zinc/68/87/15/1127688715.db2.gz YHDNPPKCEXWFHU-WOCWXWTJSA-N 0 3 291.394 3.555 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ccccn2)c([O-])c1 ZINC000297477656 1127698003 /nfs/dbraw/zinc/69/80/03/1127698003.db2.gz ZAFOUKOVRMLPFH-CQSZACIVSA-N 0 3 284.403 3.724 20 10 CHCDHN Cc1ccc(O)c(CN[C@@H]2COc3c2cccc3Cl)c1 ZINC000365943909 1127741932 /nfs/dbraw/zinc/74/19/32/1127741932.db2.gz AVBCPBJBACDLEG-CQSZACIVSA-N 0 3 289.762 3.577 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000230929805 1127784487 /nfs/dbraw/zinc/78/44/87/1127784487.db2.gz SKMCTMWNNIIWDB-FZMZJTMJSA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000230929805 1127784489 /nfs/dbraw/zinc/78/44/89/1127784489.db2.gz SKMCTMWNNIIWDB-FZMZJTMJSA-N 0 3 295.810 3.819 20 10 CHCDHN CCC[N@H+](CC[C@H]1CCCCO1)Cc1ccccc1[O-] ZINC000754051451 1128179521 /nfs/dbraw/zinc/17/95/21/1128179521.db2.gz ULNHFTJGCKLLDG-MRXNPFEDSA-N 0 3 277.408 3.563 20 10 CHCDHN CCC[N@@H+](CC[C@H]1CCCCO1)Cc1ccccc1[O-] ZINC000754051451 1128179523 /nfs/dbraw/zinc/17/95/23/1128179523.db2.gz ULNHFTJGCKLLDG-MRXNPFEDSA-N 0 3 277.408 3.563 20 10 CHCDHN CC1(C)C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C(C)(C)O1 ZINC000927099378 1128217516 /nfs/dbraw/zinc/21/75/16/1128217516.db2.gz NDIIRQDXZMNLKY-KGLIPLIRSA-N 0 3 289.419 3.563 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000927129968 1128220730 /nfs/dbraw/zinc/22/07/30/1128220730.db2.gz QQJVZCFTRSJDMV-HOCLYGCPSA-N 0 3 289.419 3.925 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000927129969 1128220889 /nfs/dbraw/zinc/22/08/89/1128220889.db2.gz QQJVZCFTRSJDMV-ZBFHGGJFSA-N 0 3 289.419 3.925 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](C1CC1)C1CCC1)CC2 ZINC000324631657 1128389049 /nfs/dbraw/zinc/38/90/49/1128389049.db2.gz AOCOURXRMKSWAW-PBHICJAKSA-N 0 3 257.377 3.548 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C4CC4)C3)c2c1 ZINC000763330281 1128392507 /nfs/dbraw/zinc/39/25/07/1128392507.db2.gz CGFXEVZJZVTYEO-HNNXBMFYSA-N 0 3 297.398 3.786 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C4CC4)C3)c2c1 ZINC000763330281 1128392511 /nfs/dbraw/zinc/39/25/11/1128392511.db2.gz CGFXEVZJZVTYEO-HNNXBMFYSA-N 0 3 297.398 3.786 20 10 CHCDHN CC(C)N(C/C=C/Cl)Cc1ccc(N(C)C)cc1 ZINC000917075032 1128474638 /nfs/dbraw/zinc/47/46/38/1128474638.db2.gz OWUKENIXAKNXNJ-BJMVGYQFSA-N 0 3 266.816 3.716 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1ccccc1[O-] ZINC000155668713 1128610861 /nfs/dbraw/zinc/61/08/61/1128610861.db2.gz GVXNRXFZMBCYGZ-DYVFJYSZSA-N 0 3 285.387 3.770 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000779000023 1128676298 /nfs/dbraw/zinc/67/62/98/1128676298.db2.gz SNHPNFHMFVQACK-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000779000023 1128676300 /nfs/dbraw/zinc/67/63/00/1128676300.db2.gz SNHPNFHMFVQACK-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN C[C@H]1CCC[C@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019099 1128683192 /nfs/dbraw/zinc/68/31/92/1128683192.db2.gz DSLXUECPAYBSNP-RYUDHWBXSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@H]1CCC[C@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019099 1128683195 /nfs/dbraw/zinc/68/31/95/1128683195.db2.gz DSLXUECPAYBSNP-RYUDHWBXSA-N 0 3 251.345 3.542 20 10 CHCDHN CC[C@@]1(C)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019863 1128683295 /nfs/dbraw/zinc/68/32/95/1128683295.db2.gz IYQUAMUGJPOUQG-HNNXBMFYSA-N 0 3 251.345 3.543 20 10 CHCDHN CC[C@@]1(C)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779019863 1128683297 /nfs/dbraw/zinc/68/32/97/1128683297.db2.gz IYQUAMUGJPOUQG-HNNXBMFYSA-N 0 3 251.345 3.543 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000779034653 1128691690 /nfs/dbraw/zinc/69/16/90/1128691690.db2.gz ZEMIKUJOUFPOHF-PXAZEXFGSA-N 0 3 271.335 3.724 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000779034653 1128691693 /nfs/dbraw/zinc/69/16/93/1128691693.db2.gz ZEMIKUJOUFPOHF-PXAZEXFGSA-N 0 3 271.335 3.724 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2c(F)cccc2F)c([O-])c1 ZINC000185067769 1117759281 /nfs/dbraw/zinc/75/92/81/1117759281.db2.gz CXKNWFMRNHNVFZ-GFCCVEGCSA-N 0 3 291.341 3.872 20 10 CHCDHN COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ccc1C ZINC000185193663 1117781011 /nfs/dbraw/zinc/78/10/11/1117781011.db2.gz LOIJEHZSHQRQAP-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2CC(F)(F)C2)c([O-])c1 ZINC000294447139 1117843549 /nfs/dbraw/zinc/84/35/49/1117843549.db2.gz VKDJBNZGSBMFAE-LLVKDONJSA-N 0 3 269.335 3.705 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000185828750 1117914269 /nfs/dbraw/zinc/91/42/69/1117914269.db2.gz WIVUMVGZKUPAQN-WMLDXEAASA-N 0 3 291.435 3.683 20 10 CHCDHN C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1ccccc1[O-] ZINC000179890307 1128764342 /nfs/dbraw/zinc/76/43/42/1128764342.db2.gz MMAFNWDIMPNALM-CYBMUJFWSA-N 0 3 289.350 3.651 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000179900507 1128764882 /nfs/dbraw/zinc/76/48/82/1128764882.db2.gz BKYPHZFACGNKFI-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001203550304 1118297828 /nfs/dbraw/zinc/29/78/28/1118297828.db2.gz QXCOKJDKHORQAX-UHFFFAOYSA-N 0 3 291.394 3.953 20 10 CHCDHN CN(C)c1ccc(CNCc2coc3ccccc23)cc1 ZINC000083601952 1118357169 /nfs/dbraw/zinc/35/71/69/1118357169.db2.gz BVOXDBKYYOCPQK-UHFFFAOYSA-N 0 3 280.371 3.789 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1F ZINC000834496375 1118399587 /nfs/dbraw/zinc/39/95/87/1118399587.db2.gz FUJUIDGZYMWFHL-HNNXBMFYSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455405 1118521496 /nfs/dbraw/zinc/52/14/96/1118521496.db2.gz XQQYKTNAPKXXMI-GFCCVEGCSA-N 0 3 259.393 3.787 20 10 CHCDHN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180250129 1128783223 /nfs/dbraw/zinc/78/32/23/1128783223.db2.gz XKEFECGUDUDGFX-ZIAGYGMSSA-N 0 3 283.412 3.637 20 10 CHCDHN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000180250129 1128783225 /nfs/dbraw/zinc/78/32/25/1128783225.db2.gz XKEFECGUDUDGFX-ZIAGYGMSSA-N 0 3 283.412 3.637 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)c2c1c(F)ccc2[O-] ZINC000834819165 1118572923 /nfs/dbraw/zinc/57/29/23/1118572923.db2.gz SZLJZAOYLOTSIG-WCBMZHEXSA-N 0 3 273.298 3.715 20 10 CHCDHN Cc1cccnc1[C@@H](NCc1ccc(N(C)C)cc1)C(C)C ZINC000115623024 1119139312 /nfs/dbraw/zinc/13/93/12/1119139312.db2.gz UGUZVLORGFHYHX-SFHVURJKSA-N 0 3 297.446 3.943 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccccc1[O-] ZINC000829237330 1119323119 /nfs/dbraw/zinc/32/31/19/1119323119.db2.gz UKAAWKBQMHDYCC-SNVBAGLBSA-N 0 3 257.324 3.724 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000179557359 1119751889 /nfs/dbraw/zinc/75/18/89/1119751889.db2.gz CQJYBRKSIAWKCI-MRXNPFEDSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000179557359 1119751893 /nfs/dbraw/zinc/75/18/93/1119751893.db2.gz CQJYBRKSIAWKCI-MRXNPFEDSA-N 0 3 271.335 3.868 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccnn1C1CCC1 ZINC000924573921 1119909014 /nfs/dbraw/zinc/90/90/14/1119909014.db2.gz LHGDDTOYWBRXDV-CQSZACIVSA-N 0 3 298.434 3.525 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCC2)c1[O-] ZINC000309466038 1120062894 /nfs/dbraw/zinc/06/28/94/1120062894.db2.gz PXDFRMIZDGLEKO-SECBINFHSA-N 0 3 284.197 3.666 20 10 CHCDHN CCCC[N@H+](Cc1cc(C)ccn1)Cc1ccccc1[O-] ZINC000801594764 1128892134 /nfs/dbraw/zinc/89/21/34/1128892134.db2.gz NUZXLRGAAOVTGC-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@@H+](Cc1cc(C)ccn1)Cc1ccccc1[O-] ZINC000801594764 1128892137 /nfs/dbraw/zinc/89/21/37/1128892137.db2.gz NUZXLRGAAOVTGC-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CS[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183518668 1120136630 /nfs/dbraw/zinc/13/66/30/1120136630.db2.gz QKKXJWCLJCVODL-AVGNSLFASA-N 0 3 265.422 3.717 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000186499919 1120241477 /nfs/dbraw/zinc/24/14/77/1120241477.db2.gz VRFHLJFEDKDPGI-IUODEOHRSA-N 0 3 277.408 3.697 20 10 CHCDHN C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cc(F)ccc1[O-] ZINC000186500127 1120241503 /nfs/dbraw/zinc/24/15/03/1120241503.db2.gz OSBFLTMPTTVRQG-HZMBPMFUSA-N 0 3 281.371 3.528 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cc(F)ccc1[O-] ZINC000186500099 1120241852 /nfs/dbraw/zinc/24/18/52/1120241852.db2.gz OSBFLTMPTTVRQG-IINYFYTJSA-N 0 3 281.371 3.528 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCc2cccs2)c2c1c(F)ccc2[O-] ZINC000756373133 1120276310 /nfs/dbraw/zinc/27/63/10/1120276310.db2.gz SZTRYKSZAYZRDK-ZWNOBZJWSA-N 0 3 291.391 3.973 20 10 CHCDHN C[C@@H](NCc1cccc2c1OCC2)c1ccc(N(C)C)cc1 ZINC000922015852 1120336383 /nfs/dbraw/zinc/33/63/83/1120336383.db2.gz USSQSMNCVIRLQN-CQSZACIVSA-N 0 3 296.414 3.538 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000228406671 1120341507 /nfs/dbraw/zinc/34/15/07/1120341507.db2.gz BNPCNGDUDSYWKB-UHFFFAOYSA-N 0 3 253.345 3.559 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2cncc(F)c2)c1[O-] ZINC000781926377 1120566396 /nfs/dbraw/zinc/56/63/96/1120566396.db2.gz GNRBPYDWRVQFRS-JTQLQIEISA-N 0 3 294.757 3.739 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1CC=CC1 ZINC000759848700 1120584425 /nfs/dbraw/zinc/58/44/25/1120584425.db2.gz GBUVKFRTAIJJFU-UHFFFAOYSA-N 0 3 265.356 3.867 20 10 CHCDHN C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000186578946 1120597736 /nfs/dbraw/zinc/59/77/36/1120597736.db2.gz FUKXONQOWUNXQM-CQSZACIVSA-N 0 3 267.372 3.818 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccsc1 ZINC000766030571 1120674116 /nfs/dbraw/zinc/67/41/16/1120674116.db2.gz UHFPCKVYQOHWRG-CYBMUJFWSA-N 0 3 274.433 3.973 20 10 CHCDHN CCOc1cccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000756759531 1120803255 /nfs/dbraw/zinc/80/32/55/1120803255.db2.gz MERJPSLICFJMME-OAHLLOKOSA-N 0 3 299.414 3.993 20 10 CHCDHN c1cc(CNCc2ccc(C3CC3)cc2)cc2c1OCC2 ZINC000191683891 1128951245 /nfs/dbraw/zinc/95/12/45/1128951245.db2.gz UVTBDNHHPDQDJO-UHFFFAOYSA-N 0 3 279.383 3.789 20 10 CHCDHN CCOC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237052498 1128952202 /nfs/dbraw/zinc/95/22/02/1128952202.db2.gz BABSGWUUBUJDHI-UHFFFAOYSA-N 0 3 277.408 3.517 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccsc1 ZINC000178188144 1121006872 /nfs/dbraw/zinc/00/68/72/1121006872.db2.gz GRAJQDNTKZTBMP-LLVKDONJSA-N 0 3 278.396 3.804 20 10 CHCDHN Clc1ccc(CNCc2ccc3c(c2)CCO3)s1 ZINC000070213192 1128957566 /nfs/dbraw/zinc/95/75/66/1128957566.db2.gz JMRLJEQPEPHQPY-UHFFFAOYSA-N 0 3 279.792 3.626 20 10 CHCDHN C[C@@H]([NH2+]CCCOc1ccccc1)c1cc(F)ccc1[O-] ZINC000094618084 1121086196 /nfs/dbraw/zinc/08/61/96/1121086196.db2.gz KDYLNKHXFYLXKK-CYBMUJFWSA-N 0 3 289.350 3.651 20 10 CHCDHN CCc1cnccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000773427289 1121099723 /nfs/dbraw/zinc/09/97/23/1121099723.db2.gz JSEQGDBVGPXDJD-CQSZACIVSA-N 0 3 283.419 3.561 20 10 CHCDHN CCC[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1[O-] ZINC000192049455 1128968157 /nfs/dbraw/zinc/96/81/57/1128968157.db2.gz PPBBCHUHZXTUBX-UHFFFAOYSA-N 0 3 298.361 3.815 20 10 CHCDHN CCC[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1[O-] ZINC000192049455 1128968158 /nfs/dbraw/zinc/96/81/58/1128968158.db2.gz PPBBCHUHZXTUBX-UHFFFAOYSA-N 0 3 298.361 3.815 20 10 CHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000766085844 1121204515 /nfs/dbraw/zinc/20/45/15/1121204515.db2.gz VSIMILQEFHSMCQ-HNNXBMFYSA-N 0 3 298.434 3.559 20 10 CHCDHN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000766085844 1121204518 /nfs/dbraw/zinc/20/45/18/1121204518.db2.gz VSIMILQEFHSMCQ-HNNXBMFYSA-N 0 3 298.434 3.559 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC23CC3)c1[O-] ZINC000706271202 1121424444 /nfs/dbraw/zinc/42/44/44/1121424444.db2.gz PRIQOVBUOXFCJD-LBPRGKRZSA-N 0 3 295.810 3.724 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1[O-] ZINC000709496883 1121470460 /nfs/dbraw/zinc/47/04/60/1121470460.db2.gz BOWIYYZXVZHCMW-ZIAGYGMSSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000711458533 1121537028 /nfs/dbraw/zinc/53/70/28/1121537028.db2.gz XNCNFHDMQAIDLC-HIFRSBDPSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)c1ccccc1[O-] ZINC000248546100 1121573170 /nfs/dbraw/zinc/57/31/70/1121573170.db2.gz FNIPOUOUUCNGSN-DUVNUKRYSA-N 0 3 289.375 3.538 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC2SCCS2)c([O-])c1 ZINC000693775495 1121737734 /nfs/dbraw/zinc/73/77/34/1121737734.db2.gz DYTRISRYOLNZJQ-NSHDSACASA-N 0 3 283.462 3.547 20 10 CHCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)[C@H](C)CO1 ZINC001204240068 1121861129 /nfs/dbraw/zinc/86/11/29/1121861129.db2.gz HEPXDGXAIDIVHG-HUUCEWRRSA-N 0 3 298.430 3.515 20 10 CHCDHN COc1ccc(C2(NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC000731678541 1121879116 /nfs/dbraw/zinc/87/91/16/1121879116.db2.gz PGXBZMOKVWIPHJ-UHFFFAOYSA-N 0 3 296.414 3.540 20 10 CHCDHN CCN(C)c1ccc(CN[C@@H](C)c2cncc(F)c2)cc1 ZINC000773843071 1121965075 /nfs/dbraw/zinc/96/50/75/1121965075.db2.gz ZJVYLZDNCDZQPS-ZDUSSCGKSA-N 0 3 287.382 3.528 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccccc1[O-] ZINC000272815051 1122213743 /nfs/dbraw/zinc/21/37/43/1122213743.db2.gz DWQNSLDNMFTGDS-GJZGRUSLSA-N 0 3 289.419 3.925 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccccc1[O-] ZINC000272815046 1122214332 /nfs/dbraw/zinc/21/43/32/1122214332.db2.gz DWQNSLDNMFTGDS-CABCVRRESA-N 0 3 289.419 3.925 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCCc1ccc(F)c(F)c1)C2 ZINC001183454960 1122223519 /nfs/dbraw/zinc/22/35/19/1122223519.db2.gz PTYSHUHXNIHINZ-UHFFFAOYSA-N 0 3 289.325 3.619 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCCc1ccc(F)c(F)c1)C2 ZINC001183454960 1122223526 /nfs/dbraw/zinc/22/35/26/1122223526.db2.gz PTYSHUHXNIHINZ-UHFFFAOYSA-N 0 3 289.325 3.619 20 10 CHCDHN COc1cc(C)c(C[N@H+]2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC001183673124 1122233856 /nfs/dbraw/zinc/23/38/56/1122233856.db2.gz PCFCUARBBAASPJ-CQSZACIVSA-N 0 3 297.398 3.829 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC001183673124 1122233858 /nfs/dbraw/zinc/23/38/58/1122233858.db2.gz PCFCUARBBAASPJ-CQSZACIVSA-N 0 3 297.398 3.829 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000273503399 1122236895 /nfs/dbraw/zinc/23/68/95/1122236895.db2.gz QMXILWBGWYPVMH-ZQIUZPCESA-N 0 3 291.435 3.945 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1[O-] ZINC000183331917 1129046043 /nfs/dbraw/zinc/04/60/43/1129046043.db2.gz YDCKJZTXYYOSCJ-QGZVFWFLSA-N 0 3 297.398 3.611 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1Cl ZINC000774840923 1122326418 /nfs/dbraw/zinc/32/64/18/1122326418.db2.gz PPFFTVRKHNXEJF-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1Cl ZINC000774840923 1122326422 /nfs/dbraw/zinc/32/64/22/1122326422.db2.gz PPFFTVRKHNXEJF-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1[O-] ZINC000183383229 1129049523 /nfs/dbraw/zinc/04/95/23/1129049523.db2.gz XJEYXFVJASFHLL-GFCCVEGCSA-N 0 3 275.779 3.939 20 10 CHCDHN CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000775059909 1122414268 /nfs/dbraw/zinc/41/42/68/1122414268.db2.gz YZPHNCHDLGFMDU-GOSISDBHSA-N 0 3 299.414 3.556 20 10 CHCDHN Cc1cc(CN[C@@H](C)c2cccc(O)c2)ccc1N(C)C ZINC000282325379 1122425599 /nfs/dbraw/zinc/42/55/99/1122425599.db2.gz NUCMZPKTGIXDAV-AWEZNQCLSA-N 0 3 284.403 3.617 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccccc1[O-] ZINC000775137694 1122437123 /nfs/dbraw/zinc/43/71/23/1122437123.db2.gz XLLCDDMCLQOKDX-CYBMUJFWSA-N 0 3 278.355 3.791 20 10 CHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])Oc1cccc(F)c1 ZINC000183534265 1129060977 /nfs/dbraw/zinc/06/09/77/1129060977.db2.gz LWTQICHZPWXJGK-CHWSQXEVSA-N 0 3 289.350 3.649 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000775486519 1122616225 /nfs/dbraw/zinc/61/62/25/1122616225.db2.gz COAMLESNKKFORQ-ZOBUZTSGSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1ccccc1[O-] ZINC000775502970 1122631649 /nfs/dbraw/zinc/63/16/49/1122631649.db2.gz ZHCZGPFXDOFQKM-INMHGKMJSA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(C)c(OC)c1)c1ccccc1[O-] ZINC000775509209 1122632036 /nfs/dbraw/zinc/63/20/36/1122632036.db2.gz JDBCUARVYQZOFW-KRWDZBQOSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cnccc1C)c1ccccc1[O-] ZINC000775519607 1122638579 /nfs/dbraw/zinc/63/85/79/1122638579.db2.gz MSLSCFBDWBCPQP-CJNGLKHVSA-N 0 3 270.376 3.898 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000775726351 1122926683 /nfs/dbraw/zinc/92/66/83/1122926683.db2.gz QVXBVPBCXDHBJT-GFCCVEGCSA-N 0 3 265.784 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000775726351 1122926687 /nfs/dbraw/zinc/92/66/87/1122926687.db2.gz QVXBVPBCXDHBJT-GFCCVEGCSA-N 0 3 265.784 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000775737470 1122928991 /nfs/dbraw/zinc/92/89/91/1122928991.db2.gz HVRAGKHXKSBLLE-QWRGUYRKSA-N 0 3 253.773 3.727 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+]2CCCC2(C)C)c1[O-] ZINC000160966368 1123018458 /nfs/dbraw/zinc/01/84/58/1123018458.db2.gz FYIPZMOYCAWREC-UHFFFAOYSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+]2CCCC2(C)C)c1[O-] ZINC000160966368 1123018462 /nfs/dbraw/zinc/01/84/62/1123018462.db2.gz FYIPZMOYCAWREC-UHFFFAOYSA-N 0 3 298.224 3.838 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000776013962 1123035552 /nfs/dbraw/zinc/03/55/52/1123035552.db2.gz PECQGGPJIHTYBT-UHFFFAOYSA-N 0 3 283.346 3.579 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000776013962 1123035555 /nfs/dbraw/zinc/03/55/55/1123035555.db2.gz PECQGGPJIHTYBT-UHFFFAOYSA-N 0 3 283.346 3.579 20 10 CHCDHN Oc1ccc(F)cc1CN1Cc2ccccc2C2(CC2)C1 ZINC000776013962 1123035558 /nfs/dbraw/zinc/03/55/58/1123035558.db2.gz PECQGGPJIHTYBT-UHFFFAOYSA-N 0 3 283.346 3.579 20 10 CHCDHN CCOc1ccc(C[NH2+]C2CC(c3ccccc3)C2)c([O-])c1 ZINC000776173705 1123101610 /nfs/dbraw/zinc/10/16/10/1123101610.db2.gz GQPATRJQAYUYSA-UHFFFAOYSA-N 0 3 297.398 3.827 20 10 CHCDHN CC[C@](C)([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000107717660 1123227106 /nfs/dbraw/zinc/22/71/06/1123227106.db2.gz SWILGYAQKJJWRK-KRWDZBQOSA-N 0 3 255.361 3.807 20 10 CHCDHN CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1[O-] ZINC000850342525 1123254952 /nfs/dbraw/zinc/25/49/52/1123254952.db2.gz MJBVZDDCWKPDEA-MRXNPFEDSA-N 0 3 273.351 3.642 20 10 CHCDHN CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000850500811 1123274857 /nfs/dbraw/zinc/27/48/57/1123274857.db2.gz GMEPVXMCGDKDRY-CYBMUJFWSA-N 0 3 279.424 3.620 20 10 CHCDHN CC[C@H](COCC1CC1)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000850493135 1123274889 /nfs/dbraw/zinc/27/48/89/1123274889.db2.gz HKMUSJDGMZWZOX-WBVHZDCISA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+]CCc1cnccc1C)c1ccc(C)cc1[O-] ZINC000850505836 1123276062 /nfs/dbraw/zinc/27/60/62/1123276062.db2.gz ZIGRAWJXSFZWHJ-KRWDZBQOSA-N 0 3 284.403 3.687 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850506969 1123276811 /nfs/dbraw/zinc/27/68/11/1123276811.db2.gz HCBSXVSUEPAWLJ-PWSUYJOCSA-N 0 3 251.757 3.723 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850506972 1123277039 /nfs/dbraw/zinc/27/70/39/1123277039.db2.gz HCBSXVSUEPAWLJ-ZYHUDNBSSA-N 0 3 251.757 3.723 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(C)cc1[O-] ZINC000850530587 1123284891 /nfs/dbraw/zinc/28/48/91/1123284891.db2.gz ZZQQAKACHAVTQC-YQVWRLOYSA-N 0 3 297.398 3.920 20 10 CHCDHN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(N(C)C)cc1 ZINC000850543399 1123289200 /nfs/dbraw/zinc/28/92/00/1123289200.db2.gz IXIMFLDBEWRTPX-ORAYPTAESA-N 0 3 296.414 3.796 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c([O-])c1 ZINC000850553586 1123289877 /nfs/dbraw/zinc/28/98/77/1123289877.db2.gz ZEXGILRLJMNFKZ-GXFFZTMASA-N 0 3 269.335 3.643 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]CCCc2ccco2)c2c1c(F)ccc2[O-] ZINC000850570554 1123294247 /nfs/dbraw/zinc/29/42/47/1123294247.db2.gz WDXUNHXUMDJPEC-SMDDNHRTSA-N 0 3 289.350 3.895 20 10 CHCDHN Cc1ccc(C)c(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000109772566 1123326570 /nfs/dbraw/zinc/32/65/70/1123326570.db2.gz OTGWQWZVMDZWOR-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc(C)c(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000109772566 1123326573 /nfs/dbraw/zinc/32/65/73/1123326573.db2.gz OTGWQWZVMDZWOR-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN C[N@H+](Cc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC000109773258 1123326791 /nfs/dbraw/zinc/32/67/91/1123326791.db2.gz JTVMGFRFKUMQRI-UHFFFAOYSA-N 0 3 261.752 3.678 20 10 CHCDHN C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC000109773258 1123326796 /nfs/dbraw/zinc/32/67/96/1123326796.db2.gz JTVMGFRFKUMQRI-UHFFFAOYSA-N 0 3 261.752 3.678 20 10 CHCDHN CCCCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783509874 1123400982 /nfs/dbraw/zinc/40/09/82/1123400982.db2.gz VHMLXFCEYFXTER-HZPDHXFCSA-N 0 3 290.451 3.697 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1[O-] ZINC000783511022 1123403667 /nfs/dbraw/zinc/40/36/67/1123403667.db2.gz WCZTVCLTQMXIPQ-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN C[C@H]1COC2(CCC2)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000853542759 1123442790 /nfs/dbraw/zinc/44/27/90/1123442790.db2.gz UHUAVDYPRULLSW-AWEZNQCLSA-N 0 3 297.398 3.689 20 10 CHCDHN C[C@H]1COC2(CCC2)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000853542759 1123442792 /nfs/dbraw/zinc/44/27/92/1123442792.db2.gz UHUAVDYPRULLSW-AWEZNQCLSA-N 0 3 297.398 3.689 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC001237681087 1129123910 /nfs/dbraw/zinc/12/39/10/1129123910.db2.gz KYLCTESTTFMLEQ-CHWSQXEVSA-N 0 3 279.811 3.976 20 10 CHCDHN CC(C)Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000895850992 1123521488 /nfs/dbraw/zinc/52/14/88/1123521488.db2.gz HVNCWPDMDQCNDC-CQSZACIVSA-N 0 3 284.403 3.837 20 10 CHCDHN COc1ccc(F)c(CN[C@H](C)c2cc(C)ccc2O)c1 ZINC000857080569 1123584714 /nfs/dbraw/zinc/58/47/14/1123584714.db2.gz IEYMRLNZFBMOGT-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000281126578 1123683502 /nfs/dbraw/zinc/68/35/02/1123683502.db2.gz DPNDKZATHHMAKY-DOTOQJQBSA-N 0 3 296.414 3.912 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000862444677 1123811726 /nfs/dbraw/zinc/81/17/26/1123811726.db2.gz XPSBAEBLKKFOCV-TXEJJXNPSA-N 0 3 299.361 3.514 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([O-])c1 ZINC000862444677 1123811730 /nfs/dbraw/zinc/81/17/30/1123811730.db2.gz XPSBAEBLKKFOCV-TXEJJXNPSA-N 0 3 299.361 3.514 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c1[O-] ZINC000840872997 1123872017 /nfs/dbraw/zinc/87/20/17/1123872017.db2.gz OTNKXXFAVLSNPF-VOAKCMCISA-N 0 3 297.826 3.818 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1[O-] ZINC000840875503 1123882205 /nfs/dbraw/zinc/88/22/05/1123882205.db2.gz HPIAIGLVLVUVKO-MGPQQGTHSA-N 0 3 251.345 3.714 20 10 CHCDHN CC[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794796377 1123949695 /nfs/dbraw/zinc/94/96/95/1123949695.db2.gz KALTUVALLYXJBG-LLVKDONJSA-N 0 3 293.354 3.994 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)CN1CCCCC1)c1ccc(C)cc1[O-] ZINC000794799142 1123950460 /nfs/dbraw/zinc/95/04/60/1123950460.db2.gz ZAWOPKRJJPIWLC-NVXWUHKLSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1ccc(C)cc1[O-] ZINC000794799989 1123950607 /nfs/dbraw/zinc/95/06/07/1123950607.db2.gz AYIWFJKMWRQMAH-WMZOPIPTSA-N 0 3 293.451 3.929 20 10 CHCDHN CC[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(C)cc1[O-] ZINC000794794550 1123951584 /nfs/dbraw/zinc/95/15/84/1123951584.db2.gz FCBMHVSCCRMIHL-NVXWUHKLSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(C)cc1[O-] ZINC000794794005 1123951685 /nfs/dbraw/zinc/95/16/85/1123951685.db2.gz PBGKSXXZNDQTMW-BBRMVZONSA-N 0 3 273.376 3.966 20 10 CHCDHN CC[C@@H]([NH2+]CCOCCC(C)C)c1ccc(C)cc1[O-] ZINC000794805288 1123954294 /nfs/dbraw/zinc/95/42/94/1123954294.db2.gz PVTDUPZRSWELEA-MRXNPFEDSA-N 0 3 279.424 3.804 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccoc1C)c1ccc(C)cc1[O-] ZINC000794805732 1123955256 /nfs/dbraw/zinc/95/52/56/1123955256.db2.gz QLUASZODFUZSEB-OAHLLOKOSA-N 0 3 259.349 3.843 20 10 CHCDHN CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794814335 1123957029 /nfs/dbraw/zinc/95/70/29/1123957029.db2.gz CYMNHXYNXDRQSJ-XEZPLFJOSA-N 0 3 277.408 3.697 20 10 CHCDHN CCOC[C@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])C(C)C ZINC000794812479 1123959185 /nfs/dbraw/zinc/95/91/85/1123959185.db2.gz DQKSPTYWGONIBA-CVEARBPZSA-N 0 3 279.424 3.802 20 10 CHCDHN CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794817105 1123960141 /nfs/dbraw/zinc/96/01/41/1123960141.db2.gz MYHXOYXZTZMCPZ-DOTOQJQBSA-N 0 3 291.435 3.538 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)c2c1c(F)ccc2[O-] ZINC000794828435 1123961985 /nfs/dbraw/zinc/96/19/85/1123961985.db2.gz OVYWKURKSBESLO-PWSUYJOCSA-N 0 3 263.356 3.859 20 10 CHCDHN Cc1cc(Cl)nc(CNCc2cc(C)c(C)cc2O)c1 ZINC000282011872 1124026401 /nfs/dbraw/zinc/02/64/01/1124026401.db2.gz MUGVJQOTNIVZDI-UHFFFAOYSA-N 0 3 290.794 3.656 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCSC2)c([O-])c1 ZINC000866404901 1124063915 /nfs/dbraw/zinc/06/39/15/1124063915.db2.gz XHAFYJREEBLEAF-UONOGXRCSA-N 0 3 279.449 3.803 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c([O-])c1 ZINC000866622964 1124090918 /nfs/dbraw/zinc/09/09/18/1124090918.db2.gz KTNYAKULLASEAQ-YOEHRIQHSA-N 0 3 289.419 3.843 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]CCCC(F)F)c2c1c(F)ccc2[O-] ZINC001119607227 1131260009 /nfs/dbraw/zinc/26/00/09/1131260009.db2.gz ZDOJKWLARDQFGJ-WCBMZHEXSA-N 0 3 273.298 3.715 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2(OC(C)C)CCC2)c([O-])c1 ZINC000872116623 1124687627 /nfs/dbraw/zinc/68/76/27/1124687627.db2.gz UBEALHDJPBKQDD-AWEZNQCLSA-N 0 3 277.408 3.699 20 10 CHCDHN C[N@H+](Cc1c[nH]c2c1cccc2F)Cc1ccccc1[O-] ZINC001137059368 1124711273 /nfs/dbraw/zinc/71/12/73/1124711273.db2.gz YJQQXOOMTIPXID-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN C[N@@H+](Cc1c[nH]c2c1cccc2F)Cc1ccccc1[O-] ZINC001137059368 1124711283 /nfs/dbraw/zinc/71/12/83/1124711283.db2.gz YJQQXOOMTIPXID-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN CN(C)c1ccc(CNCc2cc3ccccc3o2)cc1 ZINC000020146132 1124808625 /nfs/dbraw/zinc/80/86/25/1124808625.db2.gz DZUDUOXTZQPNKB-UHFFFAOYSA-N 0 3 280.371 3.789 20 10 CHCDHN COc1ccccc1[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876758215 1124974918 /nfs/dbraw/zinc/97/49/18/1124974918.db2.gz JWAUWHSYTCMKIO-HNNXBMFYSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1ccccc1[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876758215 1124974926 /nfs/dbraw/zinc/97/49/26/1124974926.db2.gz JWAUWHSYTCMKIO-HNNXBMFYSA-N 0 3 297.398 3.699 20 10 CHCDHN CCCOCc1ccccc1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876943261 1124991597 /nfs/dbraw/zinc/99/15/97/1124991597.db2.gz NTNPBAUFXXOYQY-UHFFFAOYSA-N 0 3 299.414 3.917 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])s1 ZINC000876964797 1124992706 /nfs/dbraw/zinc/99/27/06/1124992706.db2.gz QKJCAGQEHONVTJ-GFCCVEGCSA-N 0 3 261.390 3.921 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c([O-])c1 ZINC000877539237 1125040888 /nfs/dbraw/zinc/04/08/88/1125040888.db2.gz LDLSKZQEVDIJIP-MJGOQNOKSA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c([O-])c1 ZINC000877537430 1125041388 /nfs/dbraw/zinc/04/13/88/1125041388.db2.gz LDLSKZQEVDIJIP-IEBWSBKVSA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1scc(C[NH2+]Cc2ccc(C)cc2[O-])c1C ZINC000877673981 1125063462 /nfs/dbraw/zinc/06/34/62/1125063462.db2.gz KRQCRHZORRSPGL-UHFFFAOYSA-N 0 3 261.390 3.669 20 10 CHCDHN C[C@H](CSC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877756629 1125075377 /nfs/dbraw/zinc/07/53/77/1125075377.db2.gz ZWHUSXBOVCQUOV-VXGBXAGGSA-N 0 3 267.438 3.963 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000717108815 1125152090 /nfs/dbraw/zinc/15/20/90/1125152090.db2.gz GJLHTJGZGWOIKF-ZIAGYGMSSA-N 0 3 275.392 3.535 20 10 CHCDHN COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000127579761 1125202761 /nfs/dbraw/zinc/20/27/61/1125202761.db2.gz LVSXDCKMRQSJHT-WMLDXEAASA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000127579761 1125202765 /nfs/dbraw/zinc/20/27/65/1125202765.db2.gz LVSXDCKMRQSJHT-WMLDXEAASA-N 0 3 297.398 3.779 20 10 CHCDHN C[C@@H]([NH2+]CCCCC1CCOCC1)c1ccccc1[O-] ZINC000879649005 1125222521 /nfs/dbraw/zinc/22/25/21/1125222521.db2.gz GYNSEDKNSUSIRU-CQSZACIVSA-N 0 3 277.408 3.640 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)s2)c1[O-] ZINC000228671358 1125251028 /nfs/dbraw/zinc/25/10/28/1125251028.db2.gz QRKSWXJRWVABSF-UHFFFAOYSA-N 0 3 297.807 3.714 20 10 CHCDHN CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228675618 1125251053 /nfs/dbraw/zinc/25/10/53/1125251053.db2.gz NWHNUNQXKPACRS-WDEREUQCSA-N 0 3 285.815 3.969 20 10 CHCDHN CSCCCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000184104232 1125292001 /nfs/dbraw/zinc/29/20/01/1125292001.db2.gz WQVHSSCIYMNNSN-CYBMUJFWSA-N 0 3 267.438 3.966 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1C ZINC000897417437 1125321124 /nfs/dbraw/zinc/32/11/24/1125321124.db2.gz PLYAWAMIUHQXCL-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CCC1(F)F ZINC001237933674 1129219283 /nfs/dbraw/zinc/21/92/83/1129219283.db2.gz FUXUDWMPMLWDSZ-MRVPVSSYSA-N 0 3 293.716 3.662 20 10 CHCDHN Cc1ccsc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295954955 1129220594 /nfs/dbraw/zinc/22/05/94/1129220594.db2.gz LTMYWYPVJUXYHH-LBPRGKRZSA-N 0 3 259.374 3.539 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000092780979 1129407796 /nfs/dbraw/zinc/40/77/96/1129407796.db2.gz BXOMGDPRVFVJSN-HNNXBMFYSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000092780979 1129407800 /nfs/dbraw/zinc/40/78/00/1129407800.db2.gz BXOMGDPRVFVJSN-HNNXBMFYSA-N 0 3 275.392 3.555 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccccc1[O-] ZINC000248384709 1129416086 /nfs/dbraw/zinc/41/60/86/1129416086.db2.gz FUYHNKXYKIWXAJ-GRDNDAEWSA-N 0 3 291.435 3.884 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c([O-])c1 ZINC000248481606 1129419554 /nfs/dbraw/zinc/41/95/54/1129419554.db2.gz BHUVLOJXLZIGLF-YJLNNSPDSA-N 0 3 297.398 3.881 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C12CCC2 ZINC000248484964 1129419827 /nfs/dbraw/zinc/41/98/27/1129419827.db2.gz DQXOMZZTRKUNTH-XOKHGSTOSA-N 0 3 289.419 3.699 20 10 CHCDHN C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616936 1129448284 /nfs/dbraw/zinc/44/82/84/1129448284.db2.gz LAPWQKLJMSSDPI-VXGBXAGGSA-N 0 3 277.339 3.796 20 10 CHCDHN COc1ccc(CNCc2cscc2C)cc1C ZINC000094877282 1129455135 /nfs/dbraw/zinc/45/51/35/1129455135.db2.gz UMRVMNHMPUMTEO-UHFFFAOYSA-N 0 3 261.390 3.663 20 10 CHCDHN CCOc1cccc(C[N@H+](C)C2(C)CCCC2)c1[O-] ZINC000720386357 1129526681 /nfs/dbraw/zinc/52/66/81/1129526681.db2.gz AXXYPLXWMQUGLJ-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)C2(C)CCCC2)c1[O-] ZINC000720386357 1129526684 /nfs/dbraw/zinc/52/66/84/1129526684.db2.gz AXXYPLXWMQUGLJ-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CSC1CCC(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000720605406 1129670516 /nfs/dbraw/zinc/67/05/16/1129670516.db2.gz CEDQVNAHSKCVBI-IYXRBSQSSA-N 0 3 279.449 3.965 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1ccccc1[O-] ZINC000828687178 1131396061 /nfs/dbraw/zinc/39/60/61/1131396061.db2.gz GCAQSEAIYRPXCC-LJHODMEESA-N 0 3 299.414 3.598 20 10 CHCDHN CC(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O)cc1[O-] ZINC001169059530 1129693621 /nfs/dbraw/zinc/69/36/21/1129693621.db2.gz RDCXOMRZBBJZTP-QGZVFWFLSA-N 0 3 299.414 3.845 20 10 CHCDHN CC[N@H+](Cc1sccc1C)Cc1ccccc1[O-] ZINC001204024430 1129723690 /nfs/dbraw/zinc/72/36/90/1129723690.db2.gz XAPOLWBVMUZLTH-UHFFFAOYSA-N 0 3 261.390 3.784 20 10 CHCDHN CC[N@@H+](Cc1sccc1C)Cc1ccccc1[O-] ZINC001204024430 1129723692 /nfs/dbraw/zinc/72/36/92/1129723692.db2.gz XAPOLWBVMUZLTH-UHFFFAOYSA-N 0 3 261.390 3.784 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCF ZINC000767927982 1129822383 /nfs/dbraw/zinc/82/23/83/1129822383.db2.gz SHBOHQJFNXPLKG-UHFFFAOYSA-N 0 3 259.324 3.508 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000768194815 1129842139 /nfs/dbraw/zinc/84/21/39/1129842139.db2.gz FFHNPVKEOBHAGR-CYBMUJFWSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000768194815 1129842143 /nfs/dbraw/zinc/84/21/43/1129842143.db2.gz FFHNPVKEOBHAGR-CYBMUJFWSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000768233698 1129845922 /nfs/dbraw/zinc/84/59/22/1129845922.db2.gz PJUCLLHWZBIIKE-INIZCTEOSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000768233698 1129845928 /nfs/dbraw/zinc/84/59/28/1129845928.db2.gz PJUCLLHWZBIIKE-INIZCTEOSA-N 0 3 283.371 3.520 20 10 CHCDHN CCOc1cccc(CN2CCC[C@@H]2c2ccccn2)c1O ZINC000768354144 1129853992 /nfs/dbraw/zinc/85/39/92/1129853992.db2.gz FPFHJKHWDUVJJZ-MRXNPFEDSA-N 0 3 298.386 3.523 20 10 CHCDHN CN(Cc1cccc2c1OC(C)(C)C2)Cc1ccccc1O ZINC000768872091 1129877685 /nfs/dbraw/zinc/87/76/85/1129877685.db2.gz CCXYUDZZPSNMSG-UHFFFAOYSA-N 0 3 297.398 3.738 20 10 CHCDHN C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccccc1[O-] ZINC000768873616 1129878362 /nfs/dbraw/zinc/87/83/62/1129878362.db2.gz RTDMJXPEMJFOQA-QINSGFPZSA-N 0 3 267.372 3.928 20 10 CHCDHN C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccccc1[O-] ZINC000768873616 1129878369 /nfs/dbraw/zinc/87/83/69/1129878369.db2.gz RTDMJXPEMJFOQA-QINSGFPZSA-N 0 3 267.372 3.928 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000769102526 1129889583 /nfs/dbraw/zinc/88/95/83/1129889583.db2.gz OLAOKXHOLFKVDL-XJKSGUPXSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000769102526 1129889587 /nfs/dbraw/zinc/88/95/87/1129889587.db2.gz OLAOKXHOLFKVDL-XJKSGUPXSA-N 0 3 275.392 3.555 20 10 CHCDHN CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c([O-])cccc1OC ZINC000769488608 1129909381 /nfs/dbraw/zinc/90/93/81/1129909381.db2.gz GKAOMZDUAPQNFK-INIZCTEOSA-N 0 3 299.414 3.854 20 10 CHCDHN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769488608 1129909382 /nfs/dbraw/zinc/90/93/82/1129909382.db2.gz GKAOMZDUAPQNFK-INIZCTEOSA-N 0 3 299.414 3.854 20 10 CHCDHN CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769466982 1129911647 /nfs/dbraw/zinc/91/16/47/1129911647.db2.gz RRQWXLZEPHOYEJ-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769466982 1129911650 /nfs/dbraw/zinc/91/16/50/1129911650.db2.gz RRQWXLZEPHOYEJ-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000769506171 1129913885 /nfs/dbraw/zinc/91/38/85/1129913885.db2.gz NIYWPBHKUWHWGZ-QGZVFWFLSA-N 0 3 297.398 3.608 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000769506171 1129913887 /nfs/dbraw/zinc/91/38/87/1129913887.db2.gz NIYWPBHKUWHWGZ-QGZVFWFLSA-N 0 3 297.398 3.608 20 10 CHCDHN CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769507492 1129914913 /nfs/dbraw/zinc/91/49/13/1129914913.db2.gz LXUUFHQTFWOPBG-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769507492 1129914916 /nfs/dbraw/zinc/91/49/16/1129914916.db2.gz LXUUFHQTFWOPBG-ZFWWWQNUSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769536641 1129916300 /nfs/dbraw/zinc/91/63/00/1129916300.db2.gz CEAKINSKSOFHON-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769536641 1129916302 /nfs/dbraw/zinc/91/63/02/1129916302.db2.gz CEAKINSKSOFHON-DZGCQCFKSA-N 0 3 277.408 3.801 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000770511022 1129948833 /nfs/dbraw/zinc/94/88/33/1129948833.db2.gz VRSQMNOOIDXNTM-ZDUSSCGKSA-N 0 3 271.335 3.521 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000770511022 1129948834 /nfs/dbraw/zinc/94/88/34/1129948834.db2.gz VRSQMNOOIDXNTM-ZDUSSCGKSA-N 0 3 271.335 3.521 20 10 CHCDHN CCNc1ccccc1CNCc1ccc(N(C)C)cc1C ZINC000902246345 1129993505 /nfs/dbraw/zinc/99/35/05/1129993505.db2.gz XKSPMJQDVYVDRB-UHFFFAOYSA-N 0 3 297.446 3.783 20 10 CHCDHN CCOc1cccc(CN2CC[C@@H]2c2ccccc2)c1O ZINC000771938447 1129997293 /nfs/dbraw/zinc/99/72/93/1129997293.db2.gz LTJLQJIVBULNAO-MRXNPFEDSA-N 0 3 283.371 3.738 20 10 CHCDHN CCCC[N@H+](Cc1ccn(C)c1)Cc1ccccc1[O-] ZINC000802657605 1130026633 /nfs/dbraw/zinc/02/66/33/1130026633.db2.gz KHHGCNBNDPDVCQ-UHFFFAOYSA-N 0 3 272.392 3.533 20 10 CHCDHN CCCC[N@@H+](Cc1ccn(C)c1)Cc1ccccc1[O-] ZINC000802657605 1130026637 /nfs/dbraw/zinc/02/66/37/1130026637.db2.gz KHHGCNBNDPDVCQ-UHFFFAOYSA-N 0 3 272.392 3.533 20 10 CHCDHN CCCC[N@H+](Cc1ccc(C)nc1)Cc1ccccc1[O-] ZINC000802657791 1130028312 /nfs/dbraw/zinc/02/83/12/1130028312.db2.gz SMPUGHHFJIZJFD-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@@H+](Cc1ccc(C)nc1)Cc1ccccc1[O-] ZINC000802657791 1130028316 /nfs/dbraw/zinc/02/83/16/1130028316.db2.gz SMPUGHHFJIZJFD-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2nccc3c2CCCC3)c1 ZINC000903182396 1130125013 /nfs/dbraw/zinc/12/50/13/1130125013.db2.gz QAOFZRSKFHZSFA-AWEZNQCLSA-N 0 3 296.414 3.825 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C2CCOCC2)c([O-])c1 ZINC000903244621 1130134688 /nfs/dbraw/zinc/13/46/88/1130134688.db2.gz ZYIVVOYFGURBAH-CQSZACIVSA-N 0 3 291.435 3.804 20 10 CHCDHN CC[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(C)cc1[O-] ZINC000903281489 1130145423 /nfs/dbraw/zinc/14/54/23/1130145423.db2.gz HDUOXBVIZDKHGH-QBPRILJRSA-N 0 3 289.419 3.699 20 10 CHCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cncs1 ZINC000903310523 1130150765 /nfs/dbraw/zinc/15/07/65/1130150765.db2.gz KKQCHXIUBLRRBS-KKZNHRDASA-N 0 3 292.379 3.887 20 10 CHCDHN CC[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccccc1[O-] ZINC000903335474 1130160833 /nfs/dbraw/zinc/16/08/33/1130160833.db2.gz QEPGTBCKIVXGFG-YJBOKZPZSA-N 0 3 282.387 3.979 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](c1ccncc1)C1CC1)CC2 ZINC000903427471 1130175947 /nfs/dbraw/zinc/17/59/47/1130175947.db2.gz GMCJOCAICSEJEC-QAPCUYQASA-N 0 3 280.371 3.515 20 10 CHCDHN CSC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000788605161 1130197542 /nfs/dbraw/zinc/19/75/42/1130197542.db2.gz GUPJLLXXBOIDBH-GXSJLCMTSA-N 0 3 281.396 3.565 20 10 CHCDHN CCC1(O)CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000788646456 1130198409 /nfs/dbraw/zinc/19/84/09/1130198409.db2.gz CRWVJFSBRVNHTH-KSTDHSDQSA-N 0 3 291.435 3.743 20 10 CHCDHN CC[C@H]([NH2+]CCSCC(C)C)c1ccccc1[O-] ZINC000397388032 1130216672 /nfs/dbraw/zinc/21/66/72/1130216672.db2.gz IQSJLGFYKLJFOA-AWEZNQCLSA-N 0 3 267.438 3.822 20 10 CHCDHN CCOC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(C)C ZINC000788985784 1130221727 /nfs/dbraw/zinc/22/17/27/1130221727.db2.gz RXMTXMLFOVTWCR-XBFCOCLRSA-N 0 3 295.398 3.730 20 10 CHCDHN CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(C)C ZINC000788985782 1130222210 /nfs/dbraw/zinc/22/22/10/1130222210.db2.gz RXMTXMLFOVTWCR-BNOWGMLFSA-N 0 3 295.398 3.730 20 10 CHCDHN C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000793220979 1130530829 /nfs/dbraw/zinc/53/08/29/1130530829.db2.gz SQGHDGHBEMGUHD-HUUCEWRRSA-N 0 3 297.398 3.954 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC34CC4)c2c1 ZINC001234518298 1130653045 /nfs/dbraw/zinc/65/30/45/1130653045.db2.gz GCWMKQSVHPBKQP-UHFFFAOYSA-N 0 3 283.371 3.682 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC34CC4)c2c1 ZINC001234518298 1130653047 /nfs/dbraw/zinc/65/30/47/1130653047.db2.gz GCWMKQSVHPBKQP-UHFFFAOYSA-N 0 3 283.371 3.682 20 10 CHCDHN CC(C)[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCOC1 ZINC000812291303 1130681596 /nfs/dbraw/zinc/68/15/96/1130681596.db2.gz MOYBBXMMUTXBAD-HNNXBMFYSA-N 0 3 285.387 3.545 20 10 CHCDHN CC(C)[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCOC1 ZINC000812291303 1130681598 /nfs/dbraw/zinc/68/15/98/1130681598.db2.gz MOYBBXMMUTXBAD-HNNXBMFYSA-N 0 3 285.387 3.545 20 10 CHCDHN C[N@H+](Cc1cccc(-c2ccccc2)c1[O-])[C@@H]1CCCOC1 ZINC001235000292 1130699674 /nfs/dbraw/zinc/69/96/74/1130699674.db2.gz QENFVDXHWUYBAX-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN C[N@@H+](Cc1cccc(-c2ccccc2)c1[O-])[C@@H]1CCCOC1 ZINC001235000292 1130699680 /nfs/dbraw/zinc/69/96/80/1130699680.db2.gz QENFVDXHWUYBAX-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN [O-]c1c(C[NH+]2CC3CC(C3)C2)cccc1-c1ccccc1 ZINC001234996309 1130700221 /nfs/dbraw/zinc/70/02/21/1130700221.db2.gz AFCPGHWDDZDVAE-UHFFFAOYSA-N 0 3 279.383 3.901 20 10 CHCDHN CC1(C)C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234992733 1130700816 /nfs/dbraw/zinc/70/08/16/1130700816.db2.gz QWQUQLKHOCJIGS-UHFFFAOYSA-N 0 3 267.372 3.901 20 10 CHCDHN [O-]c1c(C[N@@H+]2CCC[C@H](F)C2)cccc1-c1ccccc1 ZINC001234995978 1130701170 /nfs/dbraw/zinc/70/11/70/1130701170.db2.gz RUWHEEJWCGYQGH-INIZCTEOSA-N 0 3 285.362 3.993 20 10 CHCDHN [O-]c1c(C[N@H+]2CCC[C@H](F)C2)cccc1-c1ccccc1 ZINC001234995978 1130701173 /nfs/dbraw/zinc/70/11/73/1130701173.db2.gz RUWHEEJWCGYQGH-INIZCTEOSA-N 0 3 285.362 3.993 20 10 CHCDHN [O-]c1c(C[N@@H+]2CC[C@H](F)C2)cccc1-c1ccccc1 ZINC001235003248 1130702946 /nfs/dbraw/zinc/70/29/46/1130702946.db2.gz UXUITVUPTOXCBI-HNNXBMFYSA-N 0 3 271.335 3.603 20 10 CHCDHN [O-]c1c(C[N@H+]2CC[C@H](F)C2)cccc1-c1ccccc1 ZINC001235003248 1130702953 /nfs/dbraw/zinc/70/29/53/1130702953.db2.gz UXUITVUPTOXCBI-HNNXBMFYSA-N 0 3 271.335 3.603 20 10 CHCDHN C[N@H+](Cc1cccc(N2CCCC2)c1)Cc1ccccc1[O-] ZINC001235097199 1130710666 /nfs/dbraw/zinc/71/06/66/1130710666.db2.gz RNYCXKLMXWOIIJ-UHFFFAOYSA-N 0 3 296.414 3.624 20 10 CHCDHN C[N@@H+](Cc1cccc(N2CCCC2)c1)Cc1ccccc1[O-] ZINC001235097199 1130710671 /nfs/dbraw/zinc/71/06/71/1130710671.db2.gz RNYCXKLMXWOIIJ-UHFFFAOYSA-N 0 3 296.414 3.624 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000781926891 1130748020 /nfs/dbraw/zinc/74/80/20/1130748020.db2.gz BIURNNFQIMLGLL-RDTXWAMCSA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000781926891 1130748025 /nfs/dbraw/zinc/74/80/25/1130748025.db2.gz BIURNNFQIMLGLL-RDTXWAMCSA-N 0 3 289.419 3.803 20 10 CHCDHN C[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676811 1130765425 /nfs/dbraw/zinc/76/54/25/1130765425.db2.gz VQXSIKOMANUQTM-ZDUSSCGKSA-N 0 3 261.409 3.922 20 10 CHCDHN C[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676811 1130765426 /nfs/dbraw/zinc/76/54/26/1130765426.db2.gz VQXSIKOMANUQTM-ZDUSSCGKSA-N 0 3 261.409 3.922 20 10 CHCDHN CN(Cc1cccnc1)Cc1ccc(C(C)(C)C)cc1O ZINC001235676338 1130766170 /nfs/dbraw/zinc/76/61/70/1130766170.db2.gz QMDAKPNHFXVXNM-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN CC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235676827 1130766305 /nfs/dbraw/zinc/76/63/05/1130766305.db2.gz WEVHRVCSNDXOMX-UHFFFAOYSA-N 0 3 261.409 3.922 20 10 CHCDHN CC(C)O[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681092 1130767094 /nfs/dbraw/zinc/76/70/94/1130767094.db2.gz XXYPSTZDUWZFPN-INIZCTEOSA-N 0 3 291.435 3.689 20 10 CHCDHN CC(C)O[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681092 1130767098 /nfs/dbraw/zinc/76/70/98/1130767098.db2.gz XXYPSTZDUWZFPN-INIZCTEOSA-N 0 3 291.435 3.689 20 10 CHCDHN COCC(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000813790725 1130784642 /nfs/dbraw/zinc/78/46/42/1130784642.db2.gz VHTYQDFJRZRNAZ-UHFFFAOYSA-N 0 3 299.414 3.821 20 10 CHCDHN CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])CC(C)C ZINC000783500519 1130831472 /nfs/dbraw/zinc/83/14/72/1130831472.db2.gz WOXDURGVLCKMOU-HZPDHXFCSA-N 0 3 292.467 3.799 20 10 CHCDHN Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783519900 1130833982 /nfs/dbraw/zinc/83/39/82/1130833982.db2.gz MXRRWDVFRROVKW-OLZOCXBDSA-N 0 3 256.349 3.507 20 10 CHCDHN C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)c1ccccc1[O-] ZINC000783526540 1130834972 /nfs/dbraw/zinc/83/49/72/1130834972.db2.gz WBYUIFPDMABPJQ-CQSZACIVSA-N 0 3 281.399 3.848 20 10 CHCDHN CSC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000814179590 1130836998 /nfs/dbraw/zinc/83/69/98/1130836998.db2.gz VMTHJDTWRUOYAB-GFCCVEGCSA-N 0 3 299.867 3.929 20 10 CHCDHN CSC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000814179590 1130837005 /nfs/dbraw/zinc/83/70/05/1130837005.db2.gz VMTHJDTWRUOYAB-GFCCVEGCSA-N 0 3 299.867 3.929 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000783743100 1130852676 /nfs/dbraw/zinc/85/26/76/1130852676.db2.gz FYGGMLBFNIPVFY-UHFFFAOYSA-N 0 3 263.356 3.688 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000783743100 1130852680 /nfs/dbraw/zinc/85/26/80/1130852680.db2.gz FYGGMLBFNIPVFY-UHFFFAOYSA-N 0 3 263.356 3.688 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1[O-] ZINC000784266626 1130894349 /nfs/dbraw/zinc/89/43/49/1130894349.db2.gz WNLVFORKHDPFJW-OAHLLOKOSA-N 0 3 291.341 3.954 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@H](SC)C(C)(C)C)c([O-])c1 ZINC000784626411 1130912771 /nfs/dbraw/zinc/91/27/71/1130912771.db2.gz SVVPGXIKDCAWJX-HNNXBMFYSA-N 0 3 297.464 3.658 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236337398 1130915272 /nfs/dbraw/zinc/91/52/72/1130915272.db2.gz WHPGYDVNWFPLQI-UHFFFAOYSA-N 0 3 296.414 3.662 20 10 CHCDHN Cc1cccc(CCC[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000797016980 1130953113 /nfs/dbraw/zinc/95/31/13/1130953113.db2.gz MRYYNBCNXJXZOW-CYBMUJFWSA-N 0 3 288.366 3.518 20 10 CHCDHN CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c([O-])c1 ZINC000815150427 1130968355 /nfs/dbraw/zinc/96/83/55/1130968355.db2.gz CCWUPBGZGFGWOQ-WMZOPIPTSA-N 0 3 297.398 3.684 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC001236790368 1131005874 /nfs/dbraw/zinc/00/58/74/1131005874.db2.gz WMVUOJVMEBKSTL-KRWDZBQOSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c([O-])c1 ZINC001236790368 1131005880 /nfs/dbraw/zinc/00/58/80/1131005880.db2.gz WMVUOJVMEBKSTL-KRWDZBQOSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001236784286 1131007086 /nfs/dbraw/zinc/00/70/86/1131007086.db2.gz TZBJBFROEHSULO-QGZVFWFLSA-N 0 3 281.399 3.944 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001236784286 1131007091 /nfs/dbraw/zinc/00/70/91/1131007091.db2.gz TZBJBFROEHSULO-QGZVFWFLSA-N 0 3 281.399 3.944 20 10 CHCDHN CCc1ccc(C[NH+]2C3CCCC2CCC3)c([O-])c1 ZINC001236792331 1131009680 /nfs/dbraw/zinc/00/96/80/1131009680.db2.gz PGRLSRPKXGKLBO-UHFFFAOYSA-N 0 3 259.393 3.862 20 10 CHCDHN CO[C@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815619640 1131010037 /nfs/dbraw/zinc/01/00/37/1131010037.db2.gz TXXYXUAQACIEGS-QAPCUYQASA-N 0 3 299.414 3.691 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001236811645 1131010918 /nfs/dbraw/zinc/01/09/18/1131010918.db2.gz UQHPHSDXTQZLPG-PBHICJAKSA-N 0 3 289.419 3.864 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001236811645 1131010922 /nfs/dbraw/zinc/01/09/22/1131010922.db2.gz UQHPHSDXTQZLPG-PBHICJAKSA-N 0 3 289.419 3.864 20 10 CHCDHN COc1cc(C)c(C[N@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001236820930 1131013664 /nfs/dbraw/zinc/01/36/64/1131013664.db2.gz PGQOETZTYZIMHZ-UHFFFAOYSA-N 0 3 297.398 3.874 20 10 CHCDHN COc1cc(C)c(C[N@@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001236820930 1131013669 /nfs/dbraw/zinc/01/36/69/1131013669.db2.gz PGQOETZTYZIMHZ-UHFFFAOYSA-N 0 3 297.398 3.874 20 10 CHCDHN C[N@H+](Cc1ccncc1)Cc1cc2ccccc2cc1[O-] ZINC001236827997 1131015950 /nfs/dbraw/zinc/01/59/50/1131015950.db2.gz YUVIYGCDEMOTSU-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccncc1)Cc1cc2ccccc2cc1[O-] ZINC001236827997 1131015951 /nfs/dbraw/zinc/01/59/51/1131015951.db2.gz YUVIYGCDEMOTSU-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000815648291 1131016389 /nfs/dbraw/zinc/01/63/89/1131016389.db2.gz IQELHKGMOMHQTA-IFIJOSMWSA-N 0 3 285.362 3.986 20 10 CHCDHN COC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236825644 1131016524 /nfs/dbraw/zinc/01/65/24/1131016524.db2.gz ATLJLOQLCSTXGC-KRWDZBQOSA-N 0 3 285.387 3.546 20 10 CHCDHN COC[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236825644 1131016528 /nfs/dbraw/zinc/01/65/28/1131016528.db2.gz ATLJLOQLCSTXGC-KRWDZBQOSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccccc1[O-] ZINC000815648117 1131016799 /nfs/dbraw/zinc/01/67/99/1131016799.db2.gz FDCQXESLDYQXHA-DOTOQJQBSA-N 0 3 291.435 3.622 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001236825668 1131017317 /nfs/dbraw/zinc/01/73/17/1131017317.db2.gz BEBNGDXKUISIFT-QFBILLFUSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001236825668 1131017323 /nfs/dbraw/zinc/01/73/23/1131017323.db2.gz BEBNGDXKUISIFT-QFBILLFUSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001236825669 1131017408 /nfs/dbraw/zinc/01/74/08/1131017408.db2.gz BEBNGDXKUISIFT-VQIMIIECSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001236825669 1131017412 /nfs/dbraw/zinc/01/74/12/1131017412.db2.gz BEBNGDXKUISIFT-VQIMIIECSA-N 0 3 297.398 3.546 20 10 CHCDHN CCOc1ccc(C[NH+]2CCC3(CC(F)C3)CC2)c([O-])c1 ZINC001237049397 1131039413 /nfs/dbraw/zinc/03/94/13/1131039413.db2.gz DZNISDDDDMVFMJ-UHFFFAOYSA-N 0 3 293.382 3.505 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c([O-])c1 ZINC001237044998 1131040095 /nfs/dbraw/zinc/04/00/95/1131040095.db2.gz GXWRODBANKNDCC-WFASDCNBSA-N 0 3 265.372 3.696 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)c([O-])c1 ZINC001237044998 1131040100 /nfs/dbraw/zinc/04/01/00/1131040100.db2.gz GXWRODBANKNDCC-WFASDCNBSA-N 0 3 265.372 3.696 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001237053103 1131042937 /nfs/dbraw/zinc/04/29/37/1131042937.db2.gz GSKPIHQFHSVQBV-INIZCTEOSA-N 0 3 296.414 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001237053103 1131042940 /nfs/dbraw/zinc/04/29/40/1131042940.db2.gz GSKPIHQFHSVQBV-INIZCTEOSA-N 0 3 296.414 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c([O-])c1 ZINC001237053967 1131043585 /nfs/dbraw/zinc/04/35/85/1131043585.db2.gz RXPHNLRTJXAZAG-KRWDZBQOSA-N 0 3 296.414 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c([O-])c1 ZINC001237053967 1131043590 /nfs/dbraw/zinc/04/35/90/1131043590.db2.gz RXPHNLRTJXAZAG-KRWDZBQOSA-N 0 3 296.414 3.900 20 10 CHCDHN CC[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237124907 1131054485 /nfs/dbraw/zinc/05/44/85/1131054485.db2.gz GXKRDCMDTKLVRM-SNVBAGLBSA-N 0 3 289.297 3.523 20 10 CHCDHN CC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237124907 1131054492 /nfs/dbraw/zinc/05/44/92/1131054492.db2.gz GXKRDCMDTKLVRM-SNVBAGLBSA-N 0 3 289.297 3.523 20 10 CHCDHN CCC[N@H+](CC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121116 1131056605 /nfs/dbraw/zinc/05/66/05/1131056605.db2.gz VAOYZTKTSHJNKJ-UHFFFAOYSA-N 0 3 277.286 3.523 20 10 CHCDHN CCC[N@@H+](CC)Cc1c([O-])cccc1OC(F)(F)F ZINC001237121116 1131056611 /nfs/dbraw/zinc/05/66/11/1131056611.db2.gz VAOYZTKTSHJNKJ-UHFFFAOYSA-N 0 3 277.286 3.523 20 10 CHCDHN Cc1ccccc1O[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489392 1131104514 /nfs/dbraw/zinc/10/45/14/1131104514.db2.gz HEEBOOKVNRTEAF-MRXNPFEDSA-N 0 3 297.398 3.662 20 10 CHCDHN Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489392 1131104519 /nfs/dbraw/zinc/10/45/19/1131104519.db2.gz HEEBOOKVNRTEAF-MRXNPFEDSA-N 0 3 297.398 3.662 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1[O-] ZINC000816676134 1131122905 /nfs/dbraw/zinc/12/29/05/1131122905.db2.gz TZMXULKOOKLXOK-OAHLLOKOSA-N 0 3 297.826 3.601 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1[O-] ZINC000816676134 1131122907 /nfs/dbraw/zinc/12/29/07/1131122907.db2.gz TZMXULKOOKLXOK-OAHLLOKOSA-N 0 3 297.826 3.601 20 10 CHCDHN CC[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237640492 1131123150 /nfs/dbraw/zinc/12/31/50/1131123150.db2.gz BZCMSKTWIPBNBZ-UHFFFAOYSA-N 0 3 259.324 3.650 20 10 CHCDHN CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237640492 1131123152 /nfs/dbraw/zinc/12/31/52/1131123152.db2.gz BZCMSKTWIPBNBZ-UHFFFAOYSA-N 0 3 259.324 3.650 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CC2(C)C)c1[O-] ZINC001237685070 1131126682 /nfs/dbraw/zinc/12/66/82/1131126682.db2.gz DRQWNMKBUXOSHR-GFCCVEGCSA-N 0 3 267.800 3.832 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CC2(C)C)c1[O-] ZINC001237685070 1131126686 /nfs/dbraw/zinc/12/66/86/1131126686.db2.gz DRQWNMKBUXOSHR-GFCCVEGCSA-N 0 3 267.800 3.832 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1[O-] ZINC001237687232 1131128968 /nfs/dbraw/zinc/12/89/68/1131128968.db2.gz VVZXADQTPOMNQY-ZYHUDNBSSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1[O-] ZINC001237687232 1131128972 /nfs/dbraw/zinc/12/89/72/1131128972.db2.gz VVZXADQTPOMNQY-ZYHUDNBSSA-N 0 3 267.800 3.974 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(OC)ccc1C ZINC001237711735 1131132620 /nfs/dbraw/zinc/13/26/20/1131132620.db2.gz UOOXQOXFSDOSFV-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(OC)ccc1C ZINC001237711735 1131132624 /nfs/dbraw/zinc/13/26/24/1131132624.db2.gz UOOXQOXFSDOSFV-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC001238058767 1131165363 /nfs/dbraw/zinc/16/53/63/1131165363.db2.gz VKNHJNAQXLEKER-YPMHNXCESA-N 0 3 265.372 3.708 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC001238058767 1131165364 /nfs/dbraw/zinc/16/53/64/1131165364.db2.gz VKNHJNAQXLEKER-YPMHNXCESA-N 0 3 265.372 3.708 20 10 CHCDHN Cc1cc(F)cc(CN2CCC[C@H]2c2ccncc2)c1O ZINC001238062441 1131166318 /nfs/dbraw/zinc/16/63/18/1131166318.db2.gz PWPLTTBQRHCLSY-INIZCTEOSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2C3CCCC2CCC3)c1[O-] ZINC001238066694 1131166859 /nfs/dbraw/zinc/16/68/59/1131166859.db2.gz IXSVOASNHPLSKJ-UHFFFAOYSA-N 0 3 263.356 3.747 20 10 CHCDHN Cc1cc(F)cc(CN2CC[C@@H]2c2ccccc2)c1O ZINC001238071034 1131168371 /nfs/dbraw/zinc/16/83/71/1131168371.db2.gz QYYNJUWFHATRGQ-MRXNPFEDSA-N 0 3 271.335 3.787 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccccc1[O-] ZINC000817590660 1131175430 /nfs/dbraw/zinc/17/54/30/1131175430.db2.gz ZOXZNMYCHBQCKV-OLZOCXBDSA-N 0 3 277.433 3.576 20 10 CHCDHN C[C@H](N[C@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000818357243 1131211570 /nfs/dbraw/zinc/21/15/70/1131211570.db2.gz XEBLUOHDLWSGJN-ZLIFDBKOSA-N 0 3 271.335 3.680 20 10 CHCDHN C[C@H](NCc1cc2cccnc2o1)c1ccc(N(C)C)cc1 ZINC000824196015 1131457688 /nfs/dbraw/zinc/45/76/88/1131457688.db2.gz MYMOEXAJBQIOFM-ZDUSSCGKSA-N 0 3 295.386 3.745 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccc(O)c2ccccc12 ZINC001138062312 1131460466 /nfs/dbraw/zinc/46/04/66/1131460466.db2.gz HQIUHECPIZZRRK-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccc(O)c2ccccc12 ZINC001138062312 1131460469 /nfs/dbraw/zinc/46/04/69/1131460469.db2.gz HQIUHECPIZZRRK-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CC2(CC2)C1 ZINC000824534005 1131472796 /nfs/dbraw/zinc/47/27/96/1131472796.db2.gz WSGZSPKHBSSCPF-UHFFFAOYSA-N 0 3 265.356 3.655 20 10 CHCDHN C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000824716152 1131480533 /nfs/dbraw/zinc/48/05/33/1131480533.db2.gz SHSSECGJKNTKDH-ONGXEEELSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000824716152 1131480534 /nfs/dbraw/zinc/48/05/34/1131480534.db2.gz SHSSECGJKNTKDH-ONGXEEELSA-N 0 3 291.288 3.694 20 10 CHCDHN Cc1c(CN(C)C2CC(F)(F)C2)c2ccccc2n1C ZINC001138252510 1131482451 /nfs/dbraw/zinc/48/24/51/1131482451.db2.gz JIIJMJYBXVSCSZ-UHFFFAOYSA-N 0 3 278.346 3.716 20 10 CHCDHN Cc1c(CN(C)Cc2cccnc2C)c2ccccc2n1C ZINC001138260215 1131483428 /nfs/dbraw/zinc/48/34/28/1131483428.db2.gz ZJEPIWBORZSORB-UHFFFAOYSA-N 0 3 293.414 3.822 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000824750798 1131484106 /nfs/dbraw/zinc/48/41/06/1131484106.db2.gz PEXHFHLEFQIDMR-ZBFHGGJFSA-N 0 3 289.419 3.782 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171092849 1131517529 /nfs/dbraw/zinc/51/75/29/1131517529.db2.gz ACUUKFMWWYJYDR-INIZCTEOSA-N 0 3 287.790 3.693 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2cscc2Cl)c1 ZINC000845972733 1131673498 /nfs/dbraw/zinc/67/34/98/1131673498.db2.gz TWZSIKSQDJCTHB-VIFPVBQESA-N 0 3 297.807 3.967 20 10 CHCDHN CCOc1cc(C)ccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834620375 1131688147 /nfs/dbraw/zinc/68/81/47/1131688147.db2.gz QIGORFLIVULDKL-INIZCTEOSA-N 0 3 297.398 3.876 20 10 CHCDHN CCOc1cc(C)ccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834620376 1131688418 /nfs/dbraw/zinc/68/84/18/1131688418.db2.gz QIGORFLIVULDKL-MRXNPFEDSA-N 0 3 297.398 3.876 20 10 CHCDHN Cc1cccc(C)c1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834685147 1131693532 /nfs/dbraw/zinc/69/35/32/1131693532.db2.gz JHYCJZPZKCEKNS-MRXNPFEDSA-N 0 3 267.372 3.786 20 10 CHCDHN CCc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000846209732 1131696053 /nfs/dbraw/zinc/69/60/53/1131696053.db2.gz TWAGBOYAPHQOMY-INIZCTEOSA-N 0 3 267.372 3.732 20 10 CHCDHN CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834779698 1131704630 /nfs/dbraw/zinc/70/46/30/1131704630.db2.gz RFUVOAOLYRZCBS-VXGBXAGGSA-N 0 3 287.325 3.946 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834769403 1131704838 /nfs/dbraw/zinc/70/48/38/1131704838.db2.gz MPQVSGIBSZBBTC-UXLLHSPISA-N 0 3 289.419 3.563 20 10 CHCDHN COC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC(C)CC1 ZINC000834790661 1131705344 /nfs/dbraw/zinc/70/53/44/1131705344.db2.gz UIQZCMGSJHPIMH-NSWWBONSSA-N 0 3 289.419 3.564 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CCCCO)c1[O-] ZINC000834876318 1131715837 /nfs/dbraw/zinc/71/58/37/1131715837.db2.gz AKZPWWOTSYAQKN-NEPJUHHUSA-N 0 3 285.815 3.556 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)c1[O-] ZINC000834875440 1131715845 /nfs/dbraw/zinc/71/58/45/1131715845.db2.gz OYPVZSMOKNGFGZ-GXFFZTMASA-N 0 3 283.799 3.572 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cnccc1C)c1ccc(C)cc1[O-] ZINC000834886107 1131718735 /nfs/dbraw/zinc/71/87/35/1131718735.db2.gz HVVUMYHZLLKZTF-MRXNPFEDSA-N 0 3 270.376 3.645 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC000834885903 1131718898 /nfs/dbraw/zinc/71/88/98/1131718898.db2.gz YVAFSMJPRGAAEB-GXFFZTMASA-N 0 3 288.218 3.935 20 10 CHCDHN COc1ccccc1CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835034015 1131760383 /nfs/dbraw/zinc/76/03/83/1131760383.db2.gz NDDMVFFVMQDFER-VOTSOKGWSA-N 0 3 296.414 3.564 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000835060004 1131766664 /nfs/dbraw/zinc/76/66/64/1131766664.db2.gz NXHLPDJEUVJAKY-GFCCVEGCSA-N 0 3 297.826 3.649 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001140947978 1131970351 /nfs/dbraw/zinc/97/03/51/1131970351.db2.gz ODTAGTUCAWKTLE-GFCCVEGCSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c([O-])c1 ZINC001140947978 1131970357 /nfs/dbraw/zinc/97/03/57/1131970357.db2.gz ODTAGTUCAWKTLE-GFCCVEGCSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001140953726 1131971545 /nfs/dbraw/zinc/97/15/45/1131971545.db2.gz FEMHWOKQCIHIBK-HUUCEWRRSA-N 0 3 259.393 3.713 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001140953726 1131971552 /nfs/dbraw/zinc/97/15/52/1131971552.db2.gz FEMHWOKQCIHIBK-HUUCEWRRSA-N 0 3 259.393 3.713 20 10 CHCDHN CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(C)cc1[O-] ZINC001140954775 1131971794 /nfs/dbraw/zinc/97/17/94/1131971794.db2.gz YTVVEDMXAGCTRZ-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(C)cc1[O-] ZINC001140954775 1131971803 /nfs/dbraw/zinc/97/18/03/1131971803.db2.gz YTVVEDMXAGCTRZ-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccccc1[O-] ZINC000036936255 1131984908 /nfs/dbraw/zinc/98/49/08/1131984908.db2.gz FWSKCSPFIJBNQP-LBPRGKRZSA-N 0 3 275.779 3.766 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)Cc1ccco1)c1ccccc1[O-] ZINC000036993589 1131985714 /nfs/dbraw/zinc/98/57/14/1131985714.db2.gz WUNCNCKKLKQFEO-DOMZBBRYSA-N 0 3 259.349 3.657 20 10 CHCDHN CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000037107898 1131996617 /nfs/dbraw/zinc/99/66/17/1131996617.db2.gz YPFVXEATIMMUKA-CYBMUJFWSA-N 0 3 271.360 3.642 20 10 CHCDHN CN(C)c1ccc(CN[C@H]2CSCc3ccccc32)cc1 ZINC000037233662 1132023068 /nfs/dbraw/zinc/02/30/68/1132023068.db2.gz WCRDHRZHZAZKMW-SFHVURJKSA-N 0 3 298.455 3.830 20 10 CHCDHN Cc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC001171655246 1132068832 /nfs/dbraw/zinc/06/88/32/1132068832.db2.gz HAIRGWGIHUANMW-HNNXBMFYSA-N 0 3 269.388 3.812 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1Cc2cccc(F)c2C1 ZINC001171807594 1132103944 /nfs/dbraw/zinc/10/39/44/1132103944.db2.gz VIJRBWORBAVXRA-OAHLLOKOSA-N 0 3 285.362 3.521 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1Cc2cccc(F)c2C1 ZINC001171807594 1132103945 /nfs/dbraw/zinc/10/39/45/1132103945.db2.gz VIJRBWORBAVXRA-OAHLLOKOSA-N 0 3 285.362 3.521 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2ccccc2O)c(Cl)n1 ZINC000838916003 1132157609 /nfs/dbraw/zinc/15/76/09/1132157609.db2.gz DNVNCNJCMZFBKC-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC001172368505 1132192938 /nfs/dbraw/zinc/19/29/38/1132192938.db2.gz PFELYSXSEYBARQ-UMVBOHGHSA-N 0 3 261.409 3.923 20 10 CHCDHN Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC001172369110 1132193959 /nfs/dbraw/zinc/19/39/59/1132193959.db2.gz PFELYSXSEYBARQ-VNHYZAJKSA-N 0 3 261.409 3.923 20 10 CHCDHN C[C@@H](O)CC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000839530947 1132221460 /nfs/dbraw/zinc/22/14/60/1132221460.db2.gz GLYYFYOYIHLZKV-HZPDHXFCSA-N 0 3 299.414 3.726 20 10 CHCDHN C[C@@H](O)CC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000839530947 1132221467 /nfs/dbraw/zinc/22/14/67/1132221467.db2.gz GLYYFYOYIHLZKV-HZPDHXFCSA-N 0 3 299.414 3.726 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000840175078 1132248822 /nfs/dbraw/zinc/24/88/22/1132248822.db2.gz GBJJMDQUIRDLBT-IBGZPJMESA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000840175078 1132248827 /nfs/dbraw/zinc/24/88/27/1132248827.db2.gz GBJJMDQUIRDLBT-IBGZPJMESA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172554536 1132265952 /nfs/dbraw/zinc/26/59/52/1132265952.db2.gz WZHOBFGCARANBL-GDBMZVCRSA-N 0 3 283.371 3.524 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(C)cc1[O-] ZINC000840872307 1132299622 /nfs/dbraw/zinc/29/96/22/1132299622.db2.gz KHQXXYSVLPZEMF-HOSILWTGSA-N 0 3 277.408 3.555 20 10 CHCDHN CC(C)(C)c1ccncc1CNCc1ccc2c(c1)CCO2 ZINC000840957815 1132313906 /nfs/dbraw/zinc/31/39/06/1132313906.db2.gz GJVWLTYDEATNGD-UHFFFAOYSA-N 0 3 296.414 3.604 20 10 CHCDHN CCCOC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231590137 1132316794 /nfs/dbraw/zinc/31/67/94/1132316794.db2.gz LVFPNMRYFMQCLH-UHFFFAOYSA-N 0 3 299.414 3.936 20 10 CHCDHN C[C@@]1(CF)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588504 1132317667 /nfs/dbraw/zinc/31/76/67/1132317667.db2.gz RZIQZPUAGJQIHB-KRWDZBQOSA-N 0 3 273.351 3.727 20 10 CHCDHN C[C@@]1(CF)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588504 1132317674 /nfs/dbraw/zinc/31/76/74/1132317674.db2.gz RZIQZPUAGJQIHB-KRWDZBQOSA-N 0 3 273.351 3.727 20 10 CHCDHN C[N@H+](Cc1cccc(O)c1)Cc1c([O-])ccc2ccccc21 ZINC001231587449 1132319511 /nfs/dbraw/zinc/31/95/11/1132319511.db2.gz CIBNJHRQSYCPMC-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@@H+](Cc1cccc(O)c1)Cc1c([O-])ccc2ccccc21 ZINC001231587449 1132319518 /nfs/dbraw/zinc/31/95/18/1132319518.db2.gz CIBNJHRQSYCPMC-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN Cc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC001231842456 1132375974 /nfs/dbraw/zinc/37/59/74/1132375974.db2.gz MKDSJJPWFXFLNU-UKRRQHHQSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC001231842456 1132375983 /nfs/dbraw/zinc/37/59/83/1132375983.db2.gz MKDSJJPWFXFLNU-UKRRQHHQSA-N 0 3 261.409 3.877 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1COCc2ccccc21)c1ccccc1[O-] ZINC000841758371 1132393806 /nfs/dbraw/zinc/39/38/06/1132393806.db2.gz AOTZWCWURABLGJ-SJORKVTESA-N 0 3 283.371 3.704 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccccc1[O-] ZINC000841760452 1132394265 /nfs/dbraw/zinc/39/42/65/1132394265.db2.gz FLDUTHAHSPIJOB-NVXWUHKLSA-N 0 3 291.435 3.764 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CO)C[C@@H](C)CC)c1ccc(C)cc1[O-] ZINC000842915911 1132476768 /nfs/dbraw/zinc/47/67/68/1132476768.db2.gz HWKSZKIMKSSULO-DUVNUKRYSA-N 0 3 279.424 3.538 20 10 CHCDHN CC(C)(C)c1cccc(CN2CC3(C2)CC(F)(F)C3)c1O ZINC001143104058 1132502934 /nfs/dbraw/zinc/50/29/34/1132502934.db2.gz OUVVDJOJBHGOHB-UHFFFAOYSA-N 0 3 295.373 3.921 20 10 CHCDHN C[N@H+](Cc1ccc2ncsc2c1)Cc1ccccc1[O-] ZINC001232743300 1132513494 /nfs/dbraw/zinc/51/34/94/1132513494.db2.gz QUIJXGXAIBKYPQ-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN C[N@@H+](Cc1ccc2ncsc2c1)Cc1ccccc1[O-] ZINC001232743300 1132513501 /nfs/dbraw/zinc/51/35/01/1132513501.db2.gz QUIJXGXAIBKYPQ-UHFFFAOYSA-N 0 3 284.384 3.634 20 10 CHCDHN CC[N@H+](Cc1ccc2ncoc2c1)Cc1ccccc1[O-] ZINC001232945595 1132548243 /nfs/dbraw/zinc/54/82/43/1132548243.db2.gz YMQGVFXUNJATSP-UHFFFAOYSA-N 0 3 282.343 3.556 20 10 CHCDHN CC[N@@H+](Cc1ccc2ncoc2c1)Cc1ccccc1[O-] ZINC001232945595 1132548250 /nfs/dbraw/zinc/54/82/50/1132548250.db2.gz YMQGVFXUNJATSP-UHFFFAOYSA-N 0 3 282.343 3.556 20 10 CHCDHN COc1ccc(C[N@H+](C)C/C=C/c2ccccc2)c([O-])c1 ZINC001203628795 1133345973 /nfs/dbraw/zinc/34/59/73/1133345973.db2.gz IKLIEHNMYDNLBH-RMKNXTFCSA-N 0 3 283.371 3.546 20 10 CHCDHN COc1ccc(C[N@@H+](C)C/C=C/c2ccccc2)c([O-])c1 ZINC001203628795 1133345978 /nfs/dbraw/zinc/34/59/78/1133345978.db2.gz IKLIEHNMYDNLBH-RMKNXTFCSA-N 0 3 283.371 3.546 20 10 CHCDHN Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1F ZINC001203799551 1133369753 /nfs/dbraw/zinc/36/97/53/1133369753.db2.gz HGHGUDKHHJMXGO-UHFFFAOYSA-N 0 3 285.362 3.749 20 10 CHCDHN CCN(CC)c1ccc(CN(C)C2CC(F)(F)C2)cc1 ZINC001203937438 1133385674 /nfs/dbraw/zinc/38/56/74/1133385674.db2.gz YSRLRPDVBNZECW-UHFFFAOYSA-N 0 3 282.378 3.762 20 10 CHCDHN CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204281611 1133428969 /nfs/dbraw/zinc/42/89/69/1133428969.db2.gz XGFULBUOECYOGY-INIZCTEOSA-N 0 3 271.360 3.681 20 10 CHCDHN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204281611 1133428974 /nfs/dbraw/zinc/42/89/74/1133428974.db2.gz XGFULBUOECYOGY-INIZCTEOSA-N 0 3 271.360 3.681 20 10 CHCDHN CCN(Cc1cc(F)c(F)c(F)c1)Cc1ccccc1O ZINC001204529507 1133459892 /nfs/dbraw/zinc/45/98/92/1133459892.db2.gz GZRGMAJZDSRQTA-UHFFFAOYSA-N 0 3 295.304 3.832 20 10 CHCDHN CC(C)C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001204875614 1133494723 /nfs/dbraw/zinc/49/47/23/1133494723.db2.gz OWIKGPXQPWGJND-CYBMUJFWSA-N 0 3 296.405 3.899 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC001205184897 1133542997 /nfs/dbraw/zinc/54/29/97/1133542997.db2.gz JFNHCXQBSPKPQD-GOSISDBHSA-N 0 3 297.398 3.829 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC001205184897 1133542998 /nfs/dbraw/zinc/54/29/98/1133542998.db2.gz JFNHCXQBSPKPQD-GOSISDBHSA-N 0 3 297.398 3.829 20 10 CHCDHN CC[N@H+](Cc1ccc2[nH]ccc2c1)Cc1ccccc1[O-] ZINC001205606589 1133593609 /nfs/dbraw/zinc/59/36/09/1133593609.db2.gz ZKHNKQKMFRSJJV-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN CC[N@@H+](Cc1ccc2[nH]ccc2c1)Cc1ccccc1[O-] ZINC001205606589 1133593611 /nfs/dbraw/zinc/59/36/11/1133593611.db2.gz ZKHNKQKMFRSJJV-UHFFFAOYSA-N 0 3 280.371 3.896 20 10 CHCDHN Cc1cnccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001205858117 1133623562 /nfs/dbraw/zinc/62/35/62/1133623562.db2.gz YNBCZTHOXQTOLZ-UHFFFAOYSA-N 0 3 295.430 3.622 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCC1CCCCC1)CC2 ZINC001207260661 1133782797 /nfs/dbraw/zinc/78/27/97/1133782797.db2.gz FKVGOJGFOCMEBJ-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCC1CCCCC1)CC2 ZINC001207260661 1133782799 /nfs/dbraw/zinc/78/27/99/1133782799.db2.gz FKVGOJGFOCMEBJ-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CC1CCC(F)(F)CC1)CC2 ZINC001207348982 1133794187 /nfs/dbraw/zinc/79/41/87/1133794187.db2.gz GLWOAYQOFBHHKV-UHFFFAOYSA-N 0 3 281.346 3.576 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CC1CCC(F)(F)CC1)CC2 ZINC001207348982 1133794190 /nfs/dbraw/zinc/79/41/90/1133794190.db2.gz GLWOAYQOFBHHKV-UHFFFAOYSA-N 0 3 281.346 3.576 20 10 CHCDHN CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000183613673 1134672917 /nfs/dbraw/zinc/67/29/17/1134672917.db2.gz WYNGLNAUEUXHML-SJCJKPOMSA-N 0 3 289.350 3.570 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccccc1[O-] ZINC000156052370 261112434 /nfs/dbraw/zinc/11/24/34/261112434.db2.gz SMOLYRDZQXHDDK-JSGCOSHPSA-N 0 3 265.397 3.637 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccccc1[O-] ZINC000020127751 171013389 /nfs/dbraw/zinc/01/33/89/171013389.db2.gz JXOUXQKIEHEHMX-IUODEOHRSA-N 0 3 256.349 3.589 20 10 CHCDHN CN(C)c1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000020129632 171017834 /nfs/dbraw/zinc/01/78/34/171017834.db2.gz STXGDVUGZRHDKH-GOSISDBHSA-N 0 3 266.388 3.530 20 10 CHCDHN COc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1[O-] ZINC000020133584 171021040 /nfs/dbraw/zinc/02/10/40/171021040.db2.gz OQMOFMJFLDMJHU-INIZCTEOSA-N 0 3 283.371 3.568 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000020137297 171024301 /nfs/dbraw/zinc/02/43/01/171024301.db2.gz MEQXPZUOCXBGOY-KGLIPLIRSA-N 0 3 285.387 3.855 20 10 CHCDHN C[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000020137105 171024320 /nfs/dbraw/zinc/02/43/20/171024320.db2.gz NHTSKVCAGUVVSE-UONOGXRCSA-N 0 3 255.361 3.847 20 10 CHCDHN Cc1ccc(CNCc2ccc(N(C)C)cc2)c(C)c1 ZINC000020145991 171031731 /nfs/dbraw/zinc/03/17/31/171031731.db2.gz ZWCBCLFJYHFGIL-UHFFFAOYSA-N 0 3 268.404 3.659 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000020209668 171073351 /nfs/dbraw/zinc/07/33/51/171073351.db2.gz SODVBUYTUZOTGU-NSHDSACASA-N 0 3 261.752 3.896 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cccnc2)c1 ZINC000035628819 172307689 /nfs/dbraw/zinc/30/76/89/172307689.db2.gz ZJIXYQGASNQNNS-QWHCGFSZSA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000035628819 172307691 /nfs/dbraw/zinc/30/76/91/172307691.db2.gz ZJIXYQGASNQNNS-QWHCGFSZSA-N 0 3 256.349 3.507 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccccc1[O-] ZINC000038041696 174043205 /nfs/dbraw/zinc/04/32/05/174043205.db2.gz DTAZCMRKBWMRGF-WBVHZDCISA-N 0 3 290.451 3.555 20 10 CHCDHN C[C@@H](NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000037187688 260073445 /nfs/dbraw/zinc/07/34/45/260073445.db2.gz FQNOSLGXYULJBK-CQSZACIVSA-N 0 3 254.377 3.603 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 ZINC000037363185 260094919 /nfs/dbraw/zinc/09/49/19/260094919.db2.gz VBNJVDGBTPXMKN-LLVKDONJSA-N 0 3 289.325 3.751 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](OC)c1ccccc1)c1ccccc1[O-] ZINC000155259241 261099793 /nfs/dbraw/zinc/09/97/93/261099793.db2.gz XFVTUFBZVOBTMR-WMZOPIPTSA-N 0 3 285.387 3.821 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1[O-] ZINC000155983660 261111194 /nfs/dbraw/zinc/11/11/94/261111194.db2.gz COXIKLJYSOTAPO-MSOLQXFVSA-N 0 3 299.414 3.947 20 10 CHCDHN CC[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccccc1[O-] ZINC000156287078 261119072 /nfs/dbraw/zinc/11/90/72/261119072.db2.gz BYCSHMGUQXYWCC-INIZCTEOSA-N 0 3 291.435 3.766 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000156766141 261131738 /nfs/dbraw/zinc/13/17/38/261131738.db2.gz JAEXAPGNQBSFGC-ZBFHGGJFSA-N 0 3 289.419 3.925 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccncc1 ZINC000183529149 261978926 /nfs/dbraw/zinc/97/89/26/261978926.db2.gz ZHMKWWMJOQPOBC-SWLSCSKDSA-N 0 3 256.349 3.589 20 10 CHCDHN Cc1cncc([C@@H](C)NCc2ccc(N3CCCC3)cc2)c1 ZINC000184276580 262014938 /nfs/dbraw/zinc/01/49/38/262014938.db2.gz NNPHZWPABIWWRL-MRXNPFEDSA-N 0 3 295.430 3.841 20 10 CHCDHN CCOCCCC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185071432 262039957 /nfs/dbraw/zinc/03/99/57/262039957.db2.gz GAUPAOHJXZOQAP-CQSZACIVSA-N 0 3 291.435 3.738 20 10 CHCDHN CCOCCCC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185071418 262040271 /nfs/dbraw/zinc/04/02/71/262040271.db2.gz GAUPAOHJXZOQAP-AWEZNQCLSA-N 0 3 291.435 3.738 20 10 CHCDHN CCc1nc(CC[NH2+][C@H](C)c2cc(C)ccc2[O-])cs1 ZINC000185310650 262049960 /nfs/dbraw/zinc/04/99/60/262049960.db2.gz BCKKSORAVKSMTR-GFCCVEGCSA-N 0 3 290.432 3.613 20 10 CHCDHN COc1cc(C)ccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185715546 262067912 /nfs/dbraw/zinc/06/79/12/262067912.db2.gz BOSMYLMDOQEIPO-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1cc(C)ccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185715527 262068090 /nfs/dbraw/zinc/06/80/90/262068090.db2.gz BOSMYLMDOQEIPO-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000186156317 262081726 /nfs/dbraw/zinc/08/17/26/262081726.db2.gz XUSCBDMWCUTQOS-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccccc1[O-] ZINC000186207843 262084551 /nfs/dbraw/zinc/08/45/51/262084551.db2.gz HSXDEFPATSDSEA-FUHWJXTLSA-N 0 3 299.414 3.599 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCCOC(C)C)c([O-])c1 ZINC000186530077 262315794 /nfs/dbraw/zinc/31/57/94/262315794.db2.gz RRLFOEDDCUTMCR-CQSZACIVSA-N 0 3 265.397 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1ccccc1[O-] ZINC000368369949 267166604 /nfs/dbraw/zinc/16/66/04/267166604.db2.gz IUIYJQSUVODHQF-HZPDHXFCSA-N 0 3 283.371 3.875 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C)Cc3ccccc32)c([O-])c1 ZINC000370375080 267313064 /nfs/dbraw/zinc/31/30/64/267313064.db2.gz QWWMVJFOAANCDB-KBXCAEBGSA-N 0 3 296.414 3.538 20 10 CHCDHN C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccccc1[O-] ZINC000272845331 328200988 /nfs/dbraw/zinc/20/09/88/328200988.db2.gz KHQDCRBGDORHFL-CYBMUJFWSA-N 0 3 253.345 3.732 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)c2nccs2)c([O-])c1 ZINC000285128803 328247238 /nfs/dbraw/zinc/24/72/38/328247238.db2.gz LKPJSVROZRMMAZ-QWHCGFSZSA-N 0 3 290.432 3.920 20 10 CHCDHN CC(C)Cc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000527732517 330278375 /nfs/dbraw/zinc/27/83/75/330278375.db2.gz JLMJHTUORDPSOP-UHFFFAOYSA-N 0 3 269.388 3.881 20 10 CHCDHN CCC([NH2+]Cc1cc(C)ccc1[O-])(C1CC1)C1CC1 ZINC000527761980 330281399 /nfs/dbraw/zinc/28/13/99/330281399.db2.gz GUSMKIUYRJSEPV-UHFFFAOYSA-N 0 3 259.393 3.759 20 10 CHCDHN COCCC1CC[NH+]([C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000527931101 330297447 /nfs/dbraw/zinc/29/74/47/330297447.db2.gz BLQVLCFROGWVRX-AWEZNQCLSA-N 0 3 277.408 3.510 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000527935760 330298063 /nfs/dbraw/zinc/29/80/63/330298063.db2.gz ZAMULROARGXSMU-GDBMZVCRSA-N 0 3 277.408 3.558 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2C)c([O-])c1 ZINC000527986285 330298662 /nfs/dbraw/zinc/29/86/62/330298662.db2.gz KYUOAEKADGLJBY-CQSZACIVSA-N 0 3 270.376 3.563 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)CC2 ZINC000527969286 330301464 /nfs/dbraw/zinc/30/14/64/330301464.db2.gz SWOFYKQFMCQTNX-DNVCBOLYSA-N 0 3 294.398 3.906 20 10 CHCDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000020127953 520907334 /nfs/dbraw/zinc/90/73/34/520907334.db2.gz HNXQYKURAGNWNY-HNNXBMFYSA-N 0 3 283.419 3.779 20 10 CHCDHN CCN(CC)c1ccc(CNCc2ccc(C)nc2)cc1 ZINC000057591298 520908855 /nfs/dbraw/zinc/90/88/55/520908855.db2.gz NYOFVZMBIRLLKO-UHFFFAOYSA-N 0 3 283.419 3.526 20 10 CHCDHN CC1CCN(c2ccc(CNCc3cc[nH]c3)cc2)CC1 ZINC000086253357 521040946 /nfs/dbraw/zinc/04/09/46/521040946.db2.gz CNSRWXDMVGJJRL-UHFFFAOYSA-N 0 3 283.419 3.541 20 10 CHCDHN CCc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000084200318 521843927 /nfs/dbraw/zinc/84/39/27/521843927.db2.gz NYLPLVSSOHSXPF-ZDUSSCGKSA-N 0 3 255.361 3.805 20 10 CHCDHN CC[C@H]([NH2+]CCCOCC1CC1)c1ccc(C)cc1[O-] ZINC000280130211 522585245 /nfs/dbraw/zinc/58/52/45/522585245.db2.gz OWGWGUFRXKUOQC-INIZCTEOSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000274776065 522600380 /nfs/dbraw/zinc/60/03/80/522600380.db2.gz OAEUXLLVLWDWOB-FMKPAKJESA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(C)cc1[O-] ZINC000280036856 522716316 /nfs/dbraw/zinc/71/63/16/522716316.db2.gz IOLQICUMMHZGQI-LISAXSMJSA-N 0 3 289.419 3.699 20 10 CHCDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276071221 523442492 /nfs/dbraw/zinc/44/24/92/523442492.db2.gz LYSYHVWGEXLREU-KBPBESRZSA-N 0 3 285.387 3.572 20 10 CHCDHN COc1ccc(F)cc1[C@@H](C)NCc1cc(C)ccc1O ZINC000071407697 524328994 /nfs/dbraw/zinc/32/89/94/524328994.db2.gz VVBXWADCHJXYNM-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036993103 524755210 /nfs/dbraw/zinc/75/52/10/524755210.db2.gz MTBDAUBWCHPXFY-NEPJUHHUSA-N 0 3 261.390 3.736 20 10 CHCDHN Cc1ccccc1C(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000292982458 525072621 /nfs/dbraw/zinc/07/26/21/525072621.db2.gz LIYPDVIBAJCHKW-UHFFFAOYSA-N 0 3 255.361 3.726 20 10 CHCDHN C[C@H]([NH2+]C1CC(F)(F)C1)c1cc2c(cc1[O-])CCCC2 ZINC000277200031 525288422 /nfs/dbraw/zinc/28/84/22/525288422.db2.gz VQNCHDRTBMMTBY-JTQLQIEISA-N 0 3 281.346 3.719 20 10 CHCDHN Cc1cc(O)c(CN(C)[C@H](C)c2ccco2)cc1C ZINC000131069014 525315098 /nfs/dbraw/zinc/31/50/98/525315098.db2.gz CPCZWYUFRLRKAW-CYBMUJFWSA-N 0 3 259.349 3.795 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCSC1)c1cc2c(cc1[O-])CCCC2 ZINC000280120756 525418851 /nfs/dbraw/zinc/41/88/51/525418851.db2.gz PNLURBGVMFFKBF-QWHCGFSZSA-N 0 3 291.460 3.675 20 10 CHCDHN C[C@H](NCc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000049577474 525441217 /nfs/dbraw/zinc/44/12/17/525441217.db2.gz QFAMJDGZKZATJY-LBPRGKRZSA-N 0 3 290.357 3.882 20 10 CHCDHN Cc1ccsc1C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000094874871 525860067 /nfs/dbraw/zinc/86/00/67/525860067.db2.gz QRCHDDVMFDLFLF-LBPRGKRZSA-N 0 3 261.390 3.921 20 10 CHCDHN COc1cccc(CN(Cc2cccs2)C2CC2)c1O ZINC000130253410 525924447 /nfs/dbraw/zinc/92/44/47/525924447.db2.gz YVNGWHOVHKNHPA-UHFFFAOYSA-N 0 3 289.400 3.627 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COc3ccccc32)c([O-])c1C ZINC000290334258 525925584 /nfs/dbraw/zinc/92/55/84/525925584.db2.gz OZYDGFKVKWKZBU-GJZGRUSLSA-N 0 3 297.398 3.836 20 10 CHCDHN COc1cccc(C[NH2+]C2CC(c3ccccc3C)C2)c1[O-] ZINC000266178260 526012125 /nfs/dbraw/zinc/01/21/25/526012125.db2.gz UJMNIZKXJWVSNQ-UHFFFAOYSA-N 0 3 297.398 3.745 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141684 526374406 /nfs/dbraw/zinc/37/44/06/526374406.db2.gz SVSPKHMHTROQBZ-RYUDHWBXSA-N 0 3 273.298 3.603 20 10 CHCDHN CC[N@H+](Cc1cccs1)Cc1cc(F)ccc1[O-] ZINC000179888521 1120257075 /nfs/dbraw/zinc/25/70/75/1120257075.db2.gz HBGICFGFGFFHRO-UHFFFAOYSA-N 0 3 265.353 3.615 20 10 CHCDHN CC[N@@H+](Cc1cccs1)Cc1cc(F)ccc1[O-] ZINC000179888521 1120257080 /nfs/dbraw/zinc/25/70/80/1120257080.db2.gz HBGICFGFGFFHRO-UHFFFAOYSA-N 0 3 265.353 3.615 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccccc1[O-] ZINC000850553636 1123289702 /nfs/dbraw/zinc/28/97/02/1123289702.db2.gz ZTLVEOLXQCCNEM-YPMHNXCESA-N 0 3 269.335 3.724 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2CCC(C)(C)CC2)c1[O-] ZINC000228654114 1123867243 /nfs/dbraw/zinc/86/72/43/1123867243.db2.gz ZDPVKQKAAZXFQJ-UHFFFAOYSA-N 0 3 283.799 3.676 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2C)c1[O-] ZINC000211390462 1125304756 /nfs/dbraw/zinc/30/47/56/1125304756.db2.gz PMNXCMBEDMHUSO-ZDUSSCGKSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCCC[C@@H]2C)c1[O-] ZINC000211390462 1125304761 /nfs/dbraw/zinc/30/47/61/1125304761.db2.gz PMNXCMBEDMHUSO-ZDUSSCGKSA-N 0 3 263.381 3.555 20 10 CHCDHN CC[C@@H]([NH2+][C@H](COC)CC(C)(C)C)c1ccccc1[O-] ZINC000845993344 1131679322 /nfs/dbraw/zinc/67/93/22/1131679322.db2.gz YGPOALJTIORNFW-DZGCQCFKSA-N 0 3 279.424 3.884 20 10 CHCDHN CCC(C)(CC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184708031 1129238158 /nfs/dbraw/zinc/23/81/58/1129238158.db2.gz UXXCLVWLMUWISX-UHFFFAOYSA-N 0 3 271.788 3.723 20 10 CHCDHN Cc1ccccc1C1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000135235582 1125580892 /nfs/dbraw/zinc/58/08/92/1125580892.db2.gz WOVZWPPIAGYQFC-UHFFFAOYSA-N 0 3 267.372 3.736 20 10 CHCDHN CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCCCC2 ZINC000135805505 1125600857 /nfs/dbraw/zinc/60/08/57/1125600857.db2.gz MJSANSGXYCEOTD-IRXDYDNUSA-N 0 3 289.419 3.610 20 10 CHCDHN Oc1ccccc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000136136353 1125621954 /nfs/dbraw/zinc/62/19/54/1125621954.db2.gz SPCVWHAZQZGDAC-UHFFFAOYSA-N 0 3 289.325 3.839 20 10 CHCDHN C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000886774540 1125716119 /nfs/dbraw/zinc/71/61/19/1125716119.db2.gz PNYQOIYHCMFKNK-YOEHRIQHSA-N 0 3 289.419 3.782 20 10 CHCDHN COC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000089668354 1125736691 /nfs/dbraw/zinc/73/66/91/1125736691.db2.gz WOCXOGIPIUHUPO-HNAYVOBHSA-N 0 3 298.430 3.791 20 10 CHCDHN CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000248522199 1129420612 /nfs/dbraw/zinc/42/06/12/1129420612.db2.gz RWLOIORZDBHVMN-RAIGVLPGSA-N 0 3 283.412 3.856 20 10 CHCDHN COc1ccc(O)c(CN(Cc2cccs2)C2CC2)c1 ZINC000179679756 1126831496 /nfs/dbraw/zinc/83/14/96/1126831496.db2.gz DCOOWYSBYYLVHE-UHFFFAOYSA-N 0 3 289.400 3.627 20 10 CHCDHN Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(F)ccc2[O-])s1 ZINC000180126841 1126839594 /nfs/dbraw/zinc/83/95/94/1126839594.db2.gz ATJZRTMMMWINHD-SNVBAGLBSA-N 0 3 294.395 3.798 20 10 CHCDHN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(F)ccc2[O-])s1 ZINC000180126841 1126839596 /nfs/dbraw/zinc/83/95/96/1126839596.db2.gz ATJZRTMMMWINHD-SNVBAGLBSA-N 0 3 294.395 3.798 20 10 CHCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)c(F)c1 ZINC000180825878 1126849409 /nfs/dbraw/zinc/84/94/09/1126849409.db2.gz QGIMBRHZXIQKFD-UHFFFAOYSA-N 0 3 295.304 3.834 20 10 CHCDHN C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccccc1[O-] ZINC000183450546 1126887602 /nfs/dbraw/zinc/88/76/02/1126887602.db2.gz GDBCAHGDHAVDEY-CYBMUJFWSA-N 0 3 295.386 3.552 20 10 CHCDHN COc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183503942 1126887887 /nfs/dbraw/zinc/88/78/87/1126887887.db2.gz GTBKUWPPYBMOAP-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])c1cccnc1 ZINC000183546885 1126889023 /nfs/dbraw/zinc/88/90/23/1126889023.db2.gz ZUTBNDCSOPEEOV-PBHICJAKSA-N 0 3 284.403 3.878 20 10 CHCDHN C[C@@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587306 1126890061 /nfs/dbraw/zinc/89/00/61/1126890061.db2.gz FQERAZBIWBLTRS-DEYYWGMASA-N 0 3 285.387 3.555 20 10 CHCDHN CC(C)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185881297 1126905317 /nfs/dbraw/zinc/90/53/17/1126905317.db2.gz BKSHQFHJJBRTGC-LBPRGKRZSA-N 0 3 296.842 3.569 20 10 CHCDHN COc1cccc(C2(NCc3ccc(OC)c(C)c3)CC2)c1 ZINC000268232769 1127013985 /nfs/dbraw/zinc/01/39/85/1127013985.db2.gz UXZWQQDYUBBDJZ-UHFFFAOYSA-N 0 3 297.398 3.791 20 10 CHCDHN CCOc1cccc(CN(Cc2ccco2)C(C)C)c1O ZINC000271037231 1127066020 /nfs/dbraw/zinc/06/60/20/1127066020.db2.gz GLDJFFCLMDWXMD-UHFFFAOYSA-N 0 3 289.375 3.795 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC23CCCCC3)c([O-])c1 ZINC001236787494 1131006895 /nfs/dbraw/zinc/00/68/95/1131006895.db2.gz VVGTTWARIZLBFF-UHFFFAOYSA-N 0 3 259.393 3.863 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC23CCCCC3)c([O-])c1 ZINC001236787494 1131006900 /nfs/dbraw/zinc/00/69/00/1131006900.db2.gz VVGTTWARIZLBFF-UHFFFAOYSA-N 0 3 259.393 3.863 20 10 CHCDHN COC1(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000815642011 1131014622 /nfs/dbraw/zinc/01/46/22/1131014622.db2.gz OTUZKGVFSANWNH-LBPRGKRZSA-N 0 3 297.826 3.964 20 10 CHCDHN CC(C)C1([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000815647599 1131015948 /nfs/dbraw/zinc/01/59/48/1131015948.db2.gz PGUDZWBDTYDRFV-CMPLNLGQSA-N 0 3 263.356 3.858 20 10 CHCDHN CC[C@@H](NCc1cn2cc(C)ccc2n1)c1ccccc1O ZINC000271691005 1127097007 /nfs/dbraw/zinc/09/70/07/1127097007.db2.gz KHMNEMDKFIPIAY-MRXNPFEDSA-N 0 3 295.386 3.589 20 10 CHCDHN CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC001237138650 1131054728 /nfs/dbraw/zinc/05/47/28/1131054728.db2.gz XFNWOFCFTXVUOO-UHFFFAOYSA-N 0 3 273.298 3.643 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)c1ccccc1[O-] ZINC000156416154 1127154727 /nfs/dbraw/zinc/15/47/27/1127154727.db2.gz FNIPOUOUUCNGSN-INWMFGNUSA-N 0 3 289.375 3.538 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](CC)CC(F)(F)F)c([O-])c1 ZINC000760660837 1127155229 /nfs/dbraw/zinc/15/52/29/1127155229.db2.gz PVQDPIVGSGTJAZ-NSHDSACASA-N 0 3 291.313 3.612 20 10 CHCDHN CSc1cccc(F)c1CNCc1cccc(C)c1O ZINC000289353169 1127382525 /nfs/dbraw/zinc/38/25/25/1127382525.db2.gz JKHSAQFCFHCGMW-UHFFFAOYSA-N 0 3 291.391 3.851 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000226563144 1127410956 /nfs/dbraw/zinc/41/09/56/1127410956.db2.gz OSZUWEZZXMIBPE-OAHLLOKOSA-N 0 3 263.356 3.686 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000226563144 1127410957 /nfs/dbraw/zinc/41/09/57/1127410957.db2.gz OSZUWEZZXMIBPE-OAHLLOKOSA-N 0 3 263.356 3.686 20 10 CHCDHN CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000226565499 1127411533 /nfs/dbraw/zinc/41/15/33/1127411533.db2.gz MICXBYINGAQXOB-LBPRGKRZSA-N 0 3 251.345 3.543 20 10 CHCDHN CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000226565499 1127411534 /nfs/dbraw/zinc/41/15/34/1127411534.db2.gz MICXBYINGAQXOB-LBPRGKRZSA-N 0 3 251.345 3.543 20 10 CHCDHN C[C@H](NCc1cc(F)ccc1O)c1ccc(F)cc1F ZINC000226583549 1127412377 /nfs/dbraw/zinc/41/23/77/1127412377.db2.gz CWDAPIUPYIJLNO-VIFPVBQESA-N 0 3 281.277 3.660 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1[O-] ZINC000761195816 1127517609 /nfs/dbraw/zinc/51/76/09/1127517609.db2.gz OYZKPGXFHQCBIG-CQSZACIVSA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CCC2)c1[O-] ZINC000761195816 1127517610 /nfs/dbraw/zinc/51/76/10/1127517610.db2.gz OYZKPGXFHQCBIG-CQSZACIVSA-N 0 3 295.810 3.819 20 10 CHCDHN C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccccc1[O-] ZINC000228407680 1127555673 /nfs/dbraw/zinc/55/56/73/1127555673.db2.gz IWNSRKMJLBSCBF-SNVBAGLBSA-N 0 3 261.287 3.603 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C2(C)CCCCC2)c1[O-] ZINC000228669934 1127583049 /nfs/dbraw/zinc/58/30/49/1127583049.db2.gz QJDAVOLRLTXFRP-UHFFFAOYSA-N 0 3 283.799 3.867 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C2CCCC2)c1[O-] ZINC000228674592 1127583923 /nfs/dbraw/zinc/58/39/23/1127583923.db2.gz YKAAWJFEMNQTCD-JTQLQIEISA-N 0 3 283.799 3.723 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000061361705 1127685882 /nfs/dbraw/zinc/68/58/82/1127685882.db2.gz MMVJRQOKKZSKQH-NSHDSACASA-N 0 3 259.374 3.534 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000371870201 1127782692 /nfs/dbraw/zinc/78/26/92/1127782692.db2.gz OCKZUCCVJNIPNW-JFOHDYCDSA-N 0 3 289.419 3.555 20 10 CHCDHN C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1ccccc1[O-] ZINC001168459206 1128142191 /nfs/dbraw/zinc/14/21/91/1128142191.db2.gz KUPXSGFSYWBVGU-CHWSQXEVSA-N 0 3 273.351 3.813 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccccc1[O-] ZINC000926922543 1128203152 /nfs/dbraw/zinc/20/31/52/1128203152.db2.gz ZTMDGEGCEZGORM-SUMWQHHRSA-N 0 3 297.398 3.957 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c([O-])c1 ZINC000926948272 1128205333 /nfs/dbraw/zinc/20/53/33/1128205333.db2.gz JYIBEPCXXJWHSA-JBLDHEPKSA-N 0 3 273.298 3.550 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c([O-])c1 ZINC000926948273 1128205382 /nfs/dbraw/zinc/20/53/82/1128205382.db2.gz JYIBEPCXXJWHSA-JFGNBEQYSA-N 0 3 273.298 3.550 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1cc(F)ccc1[O-] ZINC000927011921 1128208080 /nfs/dbraw/zinc/20/80/80/1128208080.db2.gz SGZDHWSSNYCBMO-TZMCWYRMSA-N 0 3 293.382 3.674 20 10 CHCDHN CC[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000927069900 1128215734 /nfs/dbraw/zinc/21/57/34/1128215734.db2.gz ODOTZMVWJSCACP-UWWQBHOKSA-N 0 3 289.419 3.638 20 10 CHCDHN CCc1onc(C)c1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000927138607 1128221471 /nfs/dbraw/zinc/22/14/71/1128221471.db2.gz GTBJUWSDBCGRJJ-LBPRGKRZSA-N 0 3 288.391 3.719 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccc(F)nc1 ZINC000929753439 1128285509 /nfs/dbraw/zinc/28/55/09/1128285509.db2.gz QAAHBQVOGLGJCX-ZDUSSCGKSA-N 0 3 288.366 3.900 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccc(F)nc1 ZINC000929753439 1128285511 /nfs/dbraw/zinc/28/55/11/1128285511.db2.gz QAAHBQVOGLGJCX-ZDUSSCGKSA-N 0 3 288.366 3.900 20 10 CHCDHN CCC[C@@H](C)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001257467230 1128456723 /nfs/dbraw/zinc/45/67/23/1128456723.db2.gz HQHTZRYEEZRHAS-CHWSQXEVSA-N 0 3 265.397 3.792 20 10 CHCDHN CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC(C)C ZINC000917454586 1128501238 /nfs/dbraw/zinc/50/12/38/1128501238.db2.gz UNWPMBRWKGQIKZ-UHFFFAOYSA-N 0 3 279.424 3.873 20 10 CHCDHN CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC(C)C ZINC000917454586 1128501239 /nfs/dbraw/zinc/50/12/39/1128501239.db2.gz UNWPMBRWKGQIKZ-UHFFFAOYSA-N 0 3 279.424 3.873 20 10 CHCDHN Cc1cccc(OCC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000042895947 1128588941 /nfs/dbraw/zinc/58/89/41/1128588941.db2.gz ZZUOHQVNPOOOBM-OAHLLOKOSA-N 0 3 285.387 3.739 20 10 CHCDHN CC[C@@H]([NH2+]CCOc1cccc(C)c1)c1ccccc1[O-] ZINC000042896035 1128589270 /nfs/dbraw/zinc/58/92/70/1128589270.db2.gz KVLSSJBKNKOBKK-QGZVFWFLSA-N 0 3 285.387 3.820 20 10 CHCDHN CCCC[C@H](COC)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000155902348 1128618269 /nfs/dbraw/zinc/61/82/69/1128618269.db2.gz QGRVAMHXXVSULJ-HIFRSBDPSA-N 0 3 265.397 3.638 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000778984666 1128673736 /nfs/dbraw/zinc/67/37/36/1128673736.db2.gz HLOOAGKWXXAZSX-UHFFFAOYSA-N 0 3 289.325 3.835 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000778984666 1128673739 /nfs/dbraw/zinc/67/37/39/1128673739.db2.gz HLOOAGKWXXAZSX-UHFFFAOYSA-N 0 3 289.325 3.835 20 10 CHCDHN CC[N@H+](Cc1ccc(C)cc1)Cc1ccccc1[O-] ZINC000778995538 1128674893 /nfs/dbraw/zinc/67/48/93/1128674893.db2.gz BISPTMOTSFHFCL-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccccc1[O-] ZINC000778995538 1128674895 /nfs/dbraw/zinc/67/48/95/1128674895.db2.gz BISPTMOTSFHFCL-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)CC2)c1[O-] ZINC000779035726 1128695992 /nfs/dbraw/zinc/69/59/92/1128695992.db2.gz GKTJZZPWAGCQOD-JTQLQIEISA-N 0 3 298.224 3.914 20 10 CHCDHN C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000185471822 1117826504 /nfs/dbraw/zinc/82/65/04/1117826504.db2.gz MIRSFLJMVLYVLM-WBMJQRKESA-N 0 3 296.430 3.548 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000325064049 1117842215 /nfs/dbraw/zinc/84/22/15/1117842215.db2.gz UCQRPVVUNFEKPB-SJCJKPOMSA-N 0 3 259.393 3.930 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccc(C)cc1[O-] ZINC000799729182 1117842317 /nfs/dbraw/zinc/84/23/17/1117842317.db2.gz INVNABVUUOAAHR-ZOBUZTSGSA-N 0 3 277.408 3.699 20 10 CHCDHN C[C@H]([NH2+]CCc1cc(F)ccc1F)c1cc(F)ccc1[O-] ZINC000185633931 1117860366 /nfs/dbraw/zinc/86/03/66/1117860366.db2.gz RIRZSVSJHCDEPU-JTQLQIEISA-N 0 3 295.304 3.703 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c([O-])c1 ZINC000186093572 1117991196 /nfs/dbraw/zinc/99/11/96/1117991196.db2.gz PGJLGILSQLLRBW-RLFYNMQTSA-N 0 3 291.435 3.802 20 10 CHCDHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2O)[C@H](C)CO1 ZINC000179578506 1128748593 /nfs/dbraw/zinc/74/85/93/1128748593.db2.gz XGLFVBJYTAXYJL-BEFAXECRSA-N 0 3 297.398 3.663 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c([O-])c1 ZINC000037565736 1118031383 /nfs/dbraw/zinc/03/13/83/1118031383.db2.gz QHIHZDGQHPUNMA-HIFRSBDPSA-N 0 3 267.372 3.691 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(C)cc1[O-] ZINC000842929649 1118170036 /nfs/dbraw/zinc/17/00/36/1118170036.db2.gz PLRZZYMKWXPDDU-XBFCOCLRSA-N 0 3 265.422 3.635 20 10 CHCDHN C[C@H]([NH2+]C1CCc2ccccc2CC1)c1ccccc1[O-] ZINC001203541306 1118176400 /nfs/dbraw/zinc/17/64/00/1118176400.db2.gz ABMJAMSUJBYFKU-AWEZNQCLSA-N 0 3 281.399 3.990 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)c([O-])c1 ZINC000188661178 1128763893 /nfs/dbraw/zinc/76/38/93/1128763893.db2.gz LJRNTZHXSUEXFD-RDTXWAMCSA-N 0 3 291.435 3.683 20 10 CHCDHN COc1cnccc1[C@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000188797693 1128764784 /nfs/dbraw/zinc/76/47/84/1128764784.db2.gz DWIITAXKAZDMQU-OLZOCXBDSA-N 0 3 286.375 3.516 20 10 CHCDHN C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179887375 1128764990 /nfs/dbraw/zinc/76/49/90/1128764990.db2.gz PULPDWBYLMSJHT-LBPRGKRZSA-N 0 3 259.324 3.724 20 10 CHCDHN C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179887375 1128764992 /nfs/dbraw/zinc/76/49/92/1128764992.db2.gz PULPDWBYLMSJHT-LBPRGKRZSA-N 0 3 259.324 3.724 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000147937509 1118254942 /nfs/dbraw/zinc/25/49/42/1118254942.db2.gz HIKMRWYGWQHMHI-HUUCEWRRSA-N 0 3 267.372 3.777 20 10 CHCDHN CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1[O-] ZINC000179933883 1128767223 /nfs/dbraw/zinc/76/72/23/1128767223.db2.gz XOTSQKBIKOYMED-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1[O-] ZINC000179933883 1128767225 /nfs/dbraw/zinc/76/72/25/1128767225.db2.gz XOTSQKBIKOYMED-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000186184067 1118288282 /nfs/dbraw/zinc/28/82/82/1118288282.db2.gz KNHPEAHHUPSMFG-RHSMWYFYSA-N 0 3 297.398 3.999 20 10 CHCDHN Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203556915 1118389351 /nfs/dbraw/zinc/38/93/51/1118389351.db2.gz WYIAOMLWQIIESB-SFHVURJKSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1 ZINC001203556915 1118389357 /nfs/dbraw/zinc/38/93/57/1118389357.db2.gz WYIAOMLWQIIESB-SFHVURJKSA-N 0 3 297.398 3.744 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000076399160 1128775020 /nfs/dbraw/zinc/77/50/20/1128775020.db2.gz ALQLTMDDKOCPDD-UHFFFAOYSA-N 0 3 297.276 3.581 20 10 CHCDHN Cc1cc(C)cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000693217515 1118421539 /nfs/dbraw/zinc/42/15/39/1118421539.db2.gz ZXNCCTKLLYMTSS-CYBMUJFWSA-N 0 3 273.351 3.999 20 10 CHCDHN Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180245007 1128782631 /nfs/dbraw/zinc/78/26/31/1128782631.db2.gz ZHWXOMFJNGMJJX-MRXNPFEDSA-N 0 3 288.366 3.597 20 10 CHCDHN Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180245007 1128782633 /nfs/dbraw/zinc/78/26/33/1128782633.db2.gz ZHWXOMFJNGMJJX-MRXNPFEDSA-N 0 3 288.366 3.597 20 10 CHCDHN C[C@@H]([NH2+]CCCC(C)(F)F)c1cc(F)ccc1[O-] ZINC000297383257 1118622201 /nfs/dbraw/zinc/62/22/01/1118622201.db2.gz RFGZXEUJCWKMHT-SECBINFHSA-N 0 3 261.287 3.617 20 10 CHCDHN COc1ccc(O)c(CN(C)Cc2cc3ccccc3o2)c1 ZINC000180482847 1128794231 /nfs/dbraw/zinc/79/42/31/1128794231.db2.gz IQSHGZFWIVBCLY-UHFFFAOYSA-N 0 3 297.354 3.779 20 10 CHCDHN C[N@H+](Cc1cc2ccccc2o1)Cc1ccccc1[O-] ZINC000178531928 1119005107 /nfs/dbraw/zinc/00/51/07/1119005107.db2.gz MJSWNMODFQQOLO-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[N@@H+](Cc1cc2ccccc2o1)Cc1ccccc1[O-] ZINC000178531928 1119005111 /nfs/dbraw/zinc/00/51/11/1119005111.db2.gz MJSWNMODFQQOLO-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000051630692 1119059702 /nfs/dbraw/zinc/05/97/02/1119059702.db2.gz WSXKUPGFZAHXLX-BBRMVZONSA-N 0 3 267.372 3.600 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000226561833 1119157475 /nfs/dbraw/zinc/15/74/75/1119157475.db2.gz AWPDXFIRAFBXBC-DOMZBBRYSA-N 0 3 263.356 3.686 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000226561833 1119157476 /nfs/dbraw/zinc/15/74/76/1119157476.db2.gz AWPDXFIRAFBXBC-DOMZBBRYSA-N 0 3 263.356 3.686 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CCC1CCCCC1 ZINC000226583871 1119210514 /nfs/dbraw/zinc/21/05/14/1119210514.db2.gz ICZLNWSGCPDYLW-UHFFFAOYSA-N 0 3 251.345 3.591 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2cnc(C)s2)cc1 ZINC000123660933 1119300357 /nfs/dbraw/zinc/30/03/57/1119300357.db2.gz FSPAUSNBYITNSI-LBPRGKRZSA-N 0 3 289.448 3.758 20 10 CHCDHN CC[C@H]([NH2+]CCc1cccc(C)n1)c1ccc(C)cc1[O-] ZINC000280028778 1119631173 /nfs/dbraw/zinc/63/11/73/1119631173.db2.gz HYZYCUHWCJVMFZ-KRWDZBQOSA-N 0 3 284.403 3.687 20 10 CHCDHN Cc1cccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000051668965 1119641013 /nfs/dbraw/zinc/64/10/13/1119641013.db2.gz CPTRERGVTDNPRD-HNNXBMFYSA-N 0 3 269.388 3.902 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000179556350 1119751759 /nfs/dbraw/zinc/75/17/59/1119751759.db2.gz DDFJRVWORBRUAO-MRXNPFEDSA-N 0 3 285.412 3.682 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000179556350 1119751763 /nfs/dbraw/zinc/75/17/63/1119751763.db2.gz DDFJRVWORBRUAO-MRXNPFEDSA-N 0 3 285.412 3.682 20 10 CHCDHN COC1([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000840883493 1119960427 /nfs/dbraw/zinc/96/04/27/1119960427.db2.gz DIZCIWZZYRJFPR-RYUDHWBXSA-N 0 3 297.826 3.962 20 10 CHCDHN CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1ccccc1O)CCC2 ZINC000765817429 1120062676 /nfs/dbraw/zinc/06/26/76/1120062676.db2.gz LIDYMJYNTBQFKJ-BBRMVZONSA-N 0 3 299.418 3.898 20 10 CHCDHN CCSCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168809476 1120097152 /nfs/dbraw/zinc/09/71/52/1120097152.db2.gz HHIWVUYQBJPZNQ-QWHCGFSZSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)SC)c1ccccc1[O-] ZINC000169215296 1120104813 /nfs/dbraw/zinc/10/48/13/1120104813.db2.gz YUZNNUBNEXHZEG-LBPRGKRZSA-N 0 3 253.411 3.575 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)[C@@H](C)C(C)C)c1[O-] ZINC000092590298 1120221630 /nfs/dbraw/zinc/22/16/30/1120221630.db2.gz WDQKQEFKBCHAEK-ZDUSSCGKSA-N 0 3 265.397 3.657 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)[C@@H](C)C(C)C)c1[O-] ZINC000092590298 1120221633 /nfs/dbraw/zinc/22/16/33/1120221633.db2.gz WDQKQEFKBCHAEK-ZDUSSCGKSA-N 0 3 265.397 3.657 20 10 CHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1cn[nH]c1 ZINC000271460997 1120253495 /nfs/dbraw/zinc/25/34/95/1120253495.db2.gz HJKONTUCBAHXAP-GJZGRUSLSA-N 0 3 298.434 3.812 20 10 CHCDHN COc1ccc(CNCc2ccc3c(c2)CCCO3)c(C)c1 ZINC000921858203 1120254076 /nfs/dbraw/zinc/25/40/76/1120254076.db2.gz YHBSHYAOPFLHCW-UHFFFAOYSA-N 0 3 297.398 3.618 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2cc3ccccc3o2)c1 ZINC000182436960 1120320918 /nfs/dbraw/zinc/32/09/18/1120320918.db2.gz LYMHTXUSRKCQCV-GFCCVEGCSA-N 0 3 297.354 3.998 20 10 CHCDHN COc1cc(C)c(C)cc1CN1CCc2cccc(O)c2C1 ZINC001238766221 1131243631 /nfs/dbraw/zinc/24/36/31/1131243631.db2.gz IUCPELAAKASFQP-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN COc1cc(C)c(C)cc1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001238766221 1131243634 /nfs/dbraw/zinc/24/36/34/1131243634.db2.gz IUCPELAAKASFQP-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN COc1cc(C)c(C)cc1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001238766221 1131243640 /nfs/dbraw/zinc/24/36/40/1131243640.db2.gz IUCPELAAKASFQP-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1c(C)noc1C ZINC000183630556 1120343555 /nfs/dbraw/zinc/34/35/55/1120343555.db2.gz JGYHBSRHWXKGNM-IINYFYTJSA-N 0 3 274.364 3.799 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1F ZINC000184910194 1120364897 /nfs/dbraw/zinc/36/48/97/1120364897.db2.gz OHXRRJNHLYPWAZ-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN CCN(CC)c1ccc(CNCc2cccnc2C)cc1 ZINC000728775048 1120447713 /nfs/dbraw/zinc/44/77/13/1120447713.db2.gz BLOJATXNSCTBSS-UHFFFAOYSA-N 0 3 283.419 3.526 20 10 CHCDHN C[C@@H]([NH2+]Cc1cn(C)nc1C1CCCC1)c1ccccc1[O-] ZINC000922329192 1120513909 /nfs/dbraw/zinc/51/39/09/1120513909.db2.gz LOXNHNLUDZFOKU-CYBMUJFWSA-N 0 3 299.418 3.634 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2ccccc2Cl)c1 ZINC000019908281 1120544920 /nfs/dbraw/zinc/54/49/20/1120544920.db2.gz RZZNJYDVSGJLCI-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000186579654 1120598809 /nfs/dbraw/zinc/59/88/09/1120598809.db2.gz DFIUYIXNTQMQPN-CYBMUJFWSA-N 0 3 285.362 3.957 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000186579490 1120598836 /nfs/dbraw/zinc/59/88/36/1120598836.db2.gz NCKILWYJWLSNHJ-KOLCDFICSA-N 0 3 294.395 3.751 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000324894540 1128928046 /nfs/dbraw/zinc/92/80/46/1128928046.db2.gz GRUHRJAYZHLBLT-UHFFFAOYSA-N 0 3 259.393 3.759 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282433097 1120661183 /nfs/dbraw/zinc/66/11/83/1120661183.db2.gz DIFXBECJSGXGDL-WMLDXEAASA-N 0 3 289.419 3.701 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186828034 1120674863 /nfs/dbraw/zinc/67/48/63/1120674863.db2.gz KKMPOWITWFIEHI-MJEQTWJJSA-N 0 3 295.398 3.776 20 10 CHCDHN CS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000312062994 1120988157 /nfs/dbraw/zinc/98/81/57/1120988157.db2.gz DHHUFARMNSSSSU-UMVBOHGHSA-N 0 3 277.433 3.643 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(C)cc1[O-] ZINC000282516660 1121063592 /nfs/dbraw/zinc/06/35/92/1121063592.db2.gz UEANOCGTRONQQL-JKSUJKDBSA-N 0 3 299.418 3.552 20 10 CHCDHN CCC[C@H](C[NH2+][C@@H](CC)c1ccccc1[O-])OCC ZINC000705317182 1121396391 /nfs/dbraw/zinc/39/63/91/1121396391.db2.gz OZANMPOICANNHA-HIFRSBDPSA-N 0 3 265.397 3.638 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCCC13CC3)CC2 ZINC000707057390 1121448412 /nfs/dbraw/zinc/44/84/12/1121448412.db2.gz KCNFUJJVFZPTNR-KGLIPLIRSA-N 0 3 257.377 3.549 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccccc1[O-] ZINC000711458535 1121537127 /nfs/dbraw/zinc/53/71/27/1121537127.db2.gz XNCNFHDMQAIDLC-UKRRQHHQSA-N 0 3 275.392 3.535 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCC(F)(F)CC1)CC2 ZINC000688491831 1129003105 /nfs/dbraw/zinc/00/31/05/1129003105.db2.gz VWXBCGNAESOBTN-GFCCVEGCSA-N 0 3 267.319 3.547 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(C)CCCCC2)c([O-])c1 ZINC000728063674 1121760203 /nfs/dbraw/zinc/76/02/03/1121760203.db2.gz XMBPQLCLINJTEX-UHFFFAOYSA-N 0 3 263.381 3.603 20 10 CHCDHN CCN(C)c1ccc(CN(CC)Cc2ccoc2)cc1 ZINC000773746583 1121790396 /nfs/dbraw/zinc/79/03/96/1121790396.db2.gz AELJJYOFYJQZED-UHFFFAOYSA-N 0 3 272.392 3.758 20 10 CHCDHN CCN(C)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000773757504 1121799855 /nfs/dbraw/zinc/79/98/55/1121799855.db2.gz ZQVWXZJHJCCZHR-IBGZPJMESA-N 0 3 295.430 3.875 20 10 CHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCCO1)C1CCCC1 ZINC000732204359 1121911655 /nfs/dbraw/zinc/91/16/55/1121911655.db2.gz JONYHHJRJJKHDX-KRWDZBQOSA-N 0 3 289.419 3.706 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCCO1)C1CCCC1 ZINC000732204359 1121911657 /nfs/dbraw/zinc/91/16/57/1121911657.db2.gz JONYHHJRJJKHDX-KRWDZBQOSA-N 0 3 289.419 3.706 20 10 CHCDHN CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732820617 1121940936 /nfs/dbraw/zinc/94/09/36/1121940936.db2.gz NDLZZIIQMBQPGJ-IFXJQAMLSA-N 0 3 299.414 3.556 20 10 CHCDHN COc1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)c([O-])c1 ZINC000733326561 1121977552 /nfs/dbraw/zinc/97/75/52/1121977552.db2.gz LPZNYUQIQZPGNX-UHFFFAOYSA-N 0 3 297.398 3.611 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC001180907534 1122022106 /nfs/dbraw/zinc/02/21/06/1122022106.db2.gz QGORDNOYBPEOOC-CYBMUJFWSA-N 0 3 287.325 3.863 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC001180907534 1122022115 /nfs/dbraw/zinc/02/21/15/1122022115.db2.gz QGORDNOYBPEOOC-CYBMUJFWSA-N 0 3 287.325 3.863 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001181196046 1122041901 /nfs/dbraw/zinc/04/19/01/1122041901.db2.gz HOLQTONBTLUGAH-IJEWVQPXSA-N 0 3 289.419 3.849 20 10 CHCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC001181235336 1122044635 /nfs/dbraw/zinc/04/46/35/1122044635.db2.gz UZFPSOQBGXDIKQ-SNPRPXQTSA-N 0 3 291.435 3.871 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001182109745 1122110438 /nfs/dbraw/zinc/11/04/38/1122110438.db2.gz SJCZNCWEEJVKOH-AWEZNQCLSA-N 0 3 285.362 3.741 20 10 CHCDHN Cc1ccoc1CNCc1cc(C(C)C)ccc1O ZINC001182161970 1122115969 /nfs/dbraw/zinc/11/59/69/1122115969.db2.gz VLLQHIBXPQIZFX-UHFFFAOYSA-N 0 3 259.349 3.707 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000272803930 1122213589 /nfs/dbraw/zinc/21/35/89/1122213589.db2.gz BVOAYNYNDAAAAI-XEZPLFJOSA-N 0 3 277.408 3.637 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccccc1[O-] ZINC001183364146 1122218592 /nfs/dbraw/zinc/21/85/92/1122218592.db2.gz WRFIIDBMEHOLIA-AWEZNQCLSA-N 0 3 285.387 3.900 20 10 CHCDHN COCC[C@@H](N[C@@H](C)c1cc(C)ccc1O)c1ccco1 ZINC000273413960 1122231361 /nfs/dbraw/zinc/23/13/61/1122231361.db2.gz IIGZGODMWFLOON-DZGCQCFKSA-N 0 3 289.375 3.722 20 10 CHCDHN COc1cc(C)c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC001183673119 1122234048 /nfs/dbraw/zinc/23/40/48/1122234048.db2.gz PCFCUARBBAASPJ-AWEZNQCLSA-N 0 3 297.398 3.829 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC001183673119 1122234053 /nfs/dbraw/zinc/23/40/53/1122234053.db2.gz PCFCUARBBAASPJ-AWEZNQCLSA-N 0 3 297.398 3.829 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2N(C)C)c([O-])c1 ZINC000273536911 1122237760 /nfs/dbraw/zinc/23/77/60/1122237760.db2.gz XNISGCYFNZUZCJ-CQSZACIVSA-N 0 3 284.403 3.617 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000273530930 1122238090 /nfs/dbraw/zinc/23/80/90/1122238090.db2.gz WHUCKDVBJGVNDK-RBOXIYTFSA-N 0 3 295.398 3.776 20 10 CHCDHN CC[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccccc1[O-] ZINC000183322554 1129044748 /nfs/dbraw/zinc/04/47/48/1129044748.db2.gz KHFSSWGVUMTVOU-MRXNPFEDSA-N 0 3 289.350 3.651 20 10 CHCDHN COc1ccc(C[NH2+]Cc2cccc(C(C)C)c2)c([O-])c1 ZINC000775331646 1122517591 /nfs/dbraw/zinc/51/75/91/1122517591.db2.gz ZWVGNXZMECIUAX-UHFFFAOYSA-N 0 3 285.387 3.814 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1ccc(F)cc1 ZINC000183534800 1129060918 /nfs/dbraw/zinc/06/09/18/1129060918.db2.gz NCXUOPGUMLUTJM-OLZOCXBDSA-N 0 3 289.350 3.649 20 10 CHCDHN Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183534450 1129061039 /nfs/dbraw/zinc/06/10/39/1129061039.db2.gz QBFCCSWOBVMVHP-LSDHHAIUSA-N 0 3 285.387 3.819 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C12CCCC2 ZINC000183537944 1129061252 /nfs/dbraw/zinc/06/12/52/1129061252.db2.gz QKQSUIJRXQZVQO-RRQGHBQHSA-N 0 3 289.419 3.781 20 10 CHCDHN COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183560041 1129066042 /nfs/dbraw/zinc/06/60/42/1129066042.db2.gz MPTHHTBVZDFVSB-LRDDRELGSA-N 0 3 283.371 3.739 20 10 CHCDHN Cc1ccc(C)c(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001203752004 1122634545 /nfs/dbraw/zinc/63/45/45/1122634545.db2.gz OTGFZYYWGUMTPA-UHFFFAOYSA-N 0 3 297.398 3.663 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](COC)Cc1ccccc1)c1ccccc1[O-] ZINC000775514084 1122635052 /nfs/dbraw/zinc/63/50/52/1122635052.db2.gz VOWLLTHNEYUTBV-SJLPKXTDSA-N 0 3 299.414 3.691 20 10 CHCDHN CC[C@H]([NH2+]CC1Cc2ccccc2C1)c1ccccc1[O-] ZINC000775523042 1122639625 /nfs/dbraw/zinc/63/96/25/1122639625.db2.gz DWCICNOTRONNIR-SFHVURJKSA-N 0 3 281.399 3.848 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1[O-] ZINC000775547089 1122657604 /nfs/dbraw/zinc/65/76/04/1122657604.db2.gz NTTIXMOWHKPXGB-XHDPSFHLSA-N 0 3 274.339 3.728 20 10 CHCDHN Cc1ncc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775582096 1122682241 /nfs/dbraw/zinc/68/22/41/1122682241.db2.gz LMGDGUPCSJMYEZ-RYUDHWBXSA-N 0 3 289.448 3.929 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc2C1)c1ccccc1[O-] ZINC001168407203 1122733869 /nfs/dbraw/zinc/73/38/69/1122733869.db2.gz NAFJPCSGNKHPBN-WBMJQRKESA-N 0 3 285.362 3.739 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(C)cc1[O-] ZINC000296118403 1122763652 /nfs/dbraw/zinc/76/36/52/1122763652.db2.gz ZWUGFMTUZQZIAV-CZUORRHYSA-N 0 3 287.407 3.719 20 10 CHCDHN Cc1cccc(CN(Cc2ccc(O)c(O)c2)C2CC2)c1C ZINC001203883060 1122967544 /nfs/dbraw/zinc/96/75/44/1122967544.db2.gz CYJOSVSPFNPVIG-UHFFFAOYSA-N 0 3 297.398 3.879 20 10 CHCDHN Cc1cccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c1O ZINC000776024913 1123041585 /nfs/dbraw/zinc/04/15/85/1123041585.db2.gz ZVDBXACNYQXJJY-WFASDCNBSA-N 0 3 271.360 3.707 20 10 CHCDHN COC1CCC(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000776231991 1123169019 /nfs/dbraw/zinc/16/90/19/1123169019.db2.gz MRLIXVCAFJFHAU-UHFFFAOYSA-N 0 3 297.826 3.649 20 10 CHCDHN COCc1csc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000850531487 1123284910 /nfs/dbraw/zinc/28/49/10/1123284910.db2.gz FWXCBFLZPOBYNE-JTQLQIEISA-N 0 3 295.379 3.590 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1)c1ccccc1[O-] ZINC000850532264 1123286000 /nfs/dbraw/zinc/28/60/00/1123286000.db2.gz RUCXMPAOVRHDNM-DZKIICNBSA-N 0 3 283.371 3.653 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(C)cc1[O-] ZINC000850570399 1123293999 /nfs/dbraw/zinc/29/39/99/1123293999.db2.gz GWAPYVALFBJQGD-ZFWWWQNUSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H](CC(F)F)C[N@H+](C)Cc1ccccc1[O-] ZINC000851841502 1123384525 /nfs/dbraw/zinc/38/45/25/1123384525.db2.gz UIQWTCULSQLNPZ-NSHDSACASA-N 0 3 257.324 3.505 20 10 CHCDHN CC[C@@H](CC(F)F)C[N@@H+](C)Cc1ccccc1[O-] ZINC000851841502 1123384530 /nfs/dbraw/zinc/38/45/30/1123384530.db2.gz UIQWTCULSQLNPZ-NSHDSACASA-N 0 3 257.324 3.505 20 10 CHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)O1 ZINC000111168329 1123428364 /nfs/dbraw/zinc/42/83/64/1123428364.db2.gz ACNKTYNDCMHGMV-ZFWWWQNUSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)O1 ZINC000111168329 1123428367 /nfs/dbraw/zinc/42/83/67/1123428367.db2.gz ACNKTYNDCMHGMV-ZFWWWQNUSA-N 0 3 285.387 3.545 20 10 CHCDHN C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000853542761 1123443051 /nfs/dbraw/zinc/44/30/51/1123443051.db2.gz UHUAVDYPRULLSW-CQSZACIVSA-N 0 3 297.398 3.689 20 10 CHCDHN C[C@@H]1COC2(CCC2)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000853542761 1123443052 /nfs/dbraw/zinc/44/30/52/1123443052.db2.gz UHUAVDYPRULLSW-CQSZACIVSA-N 0 3 297.398 3.689 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000783520319 1123468602 /nfs/dbraw/zinc/46/86/02/1123468602.db2.gz XKDFXMQBAVCGLE-CJNGLKHVSA-N 0 3 277.408 3.638 20 10 CHCDHN COc1ccc(C2([NH2+][C@H](C)c3ccccc3[O-])CC2)cc1 ZINC000783522841 1123475614 /nfs/dbraw/zinc/47/56/14/1123475614.db2.gz BEDXEQUGQZHDQH-CYBMUJFWSA-N 0 3 283.371 3.741 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc2ncsc2c1 ZINC000776807412 1123514438 /nfs/dbraw/zinc/51/44/38/1123514438.db2.gz HQJMIWWWXQTBBG-LLVKDONJSA-N 0 3 284.384 3.853 20 10 CHCDHN Cc1ccc(C[N@@H+](Cc2ccccn2)CC(C)C)c([O-])c1 ZINC000896661559 1123609903 /nfs/dbraw/zinc/60/99/03/1123609903.db2.gz RWNKJGXGYXHVJJ-UHFFFAOYSA-N 0 3 284.403 3.754 20 10 CHCDHN Cc1ccc(C[N@H+](Cc2ccccn2)CC(C)C)c([O-])c1 ZINC000896661559 1123609905 /nfs/dbraw/zinc/60/99/05/1123609905.db2.gz RWNKJGXGYXHVJJ-UHFFFAOYSA-N 0 3 284.403 3.754 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2C)cc1 ZINC000858518118 1123659457 /nfs/dbraw/zinc/65/94/57/1123659457.db2.gz FMHIQCHFVUMITC-CQSZACIVSA-N 0 3 283.419 3.697 20 10 CHCDHN Cc1cc(CN2CCC(F)(F)C[C@@H]2C)ccc1N(C)C ZINC000859836911 1123713138 /nfs/dbraw/zinc/71/31/38/1123713138.db2.gz BXAKTAHMNVWEQT-ZDUSSCGKSA-N 0 3 282.378 3.681 20 10 CHCDHN CC[C@@H](C)[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000862387254 1123806287 /nfs/dbraw/zinc/80/62/87/1123806287.db2.gz JEOLOMRNQHIMOB-OAHLLOKOSA-N 0 3 299.414 3.652 20 10 CHCDHN CC[C@@H](C)[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000862387254 1123806289 /nfs/dbraw/zinc/80/62/89/1123806289.db2.gz JEOLOMRNQHIMOB-OAHLLOKOSA-N 0 3 299.414 3.652 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@](C)(OC)C1CC1)c1ccccc1[O-] ZINC000840860503 1123860342 /nfs/dbraw/zinc/86/03/42/1123860342.db2.gz VHOYJMWIYJVNNU-NUTKFTJISA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c([O-])c1 ZINC000840875437 1123887827 /nfs/dbraw/zinc/88/78/27/1123887827.db2.gz GXMYZSUXQFUHTE-MRVWCRGKSA-N 0 3 251.345 3.632 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc(C)cc1[O-] ZINC000794801679 1123950426 /nfs/dbraw/zinc/95/04/26/1123950426.db2.gz JWTKUVDISCBWOU-KBXCAEBGSA-N 0 3 299.414 3.995 20 10 CHCDHN CC[C@H]([NH2+]CCNc1cccc(C)n1)c1ccc(C)cc1[O-] ZINC000794813000 1123957330 /nfs/dbraw/zinc/95/73/30/1123957330.db2.gz AKSJBWQMTHOTMA-INIZCTEOSA-N 0 3 299.418 3.557 20 10 CHCDHN CCOC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])C(C)C ZINC000794812482 1123959231 /nfs/dbraw/zinc/95/92/31/1123959231.db2.gz DQKSPTYWGONIBA-JKSUJKDBSA-N 0 3 279.424 3.802 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1ccc(C)cc1[O-] ZINC000794817032 1123959491 /nfs/dbraw/zinc/95/94/91/1123959491.db2.gz OHRLIJIPGMQYFX-MJGOQNOKSA-N 0 3 299.414 3.783 20 10 CHCDHN CC[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794818652 1123961648 /nfs/dbraw/zinc/96/16/48/1123961648.db2.gz XUGYOQBMKJTUPX-GOSISDBHSA-N 0 3 281.399 3.909 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)c2c1c(F)ccc2[O-] ZINC000794828436 1123962347 /nfs/dbraw/zinc/96/23/47/1123962347.db2.gz OVYWKURKSBESLO-ZYHUDNBSSA-N 0 3 263.356 3.859 20 10 CHCDHN COC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCC(C)CC1 ZINC000794837666 1123982358 /nfs/dbraw/zinc/98/23/58/1123982358.db2.gz YPZGUKFWZVBXGB-UUCFBXCCSA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000866455463 1124067910 /nfs/dbraw/zinc/06/79/10/1124067910.db2.gz LUNYBMCKXYSGAN-DTWKUNHWSA-N 0 3 280.368 3.708 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccccc1[O-] ZINC000866528948 1124078162 /nfs/dbraw/zinc/07/81/62/1124078162.db2.gz KVBGSSJPSRJZDH-GOEBONIOSA-N 0 3 289.419 3.640 20 10 CHCDHN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1cc(F)ccc1[O-] ZINC000866622542 1124091032 /nfs/dbraw/zinc/09/10/32/1124091032.db2.gz GEWGYLKUBMUYKH-WBMJQRKESA-N 0 3 293.382 3.674 20 10 CHCDHN COCC(C)(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000872105049 1124683893 /nfs/dbraw/zinc/68/38/93/1124683893.db2.gz ZPMBQGWOTRWJSW-AWEZNQCLSA-N 0 3 279.424 3.722 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872721386 1124727854 /nfs/dbraw/zinc/72/78/54/1124727854.db2.gz FOYCPQFUFMWBLJ-GJZGRUSLSA-N 0 3 299.439 3.730 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872721386 1124727860 /nfs/dbraw/zinc/72/78/60/1124727860.db2.gz FOYCPQFUFMWBLJ-GJZGRUSLSA-N 0 3 299.439 3.730 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CNc3ccccc32)c([O-])c1 ZINC000873236412 1124752937 /nfs/dbraw/zinc/75/29/37/1124752937.db2.gz HBSKRNXTQWRKNL-GJZGRUSLSA-N 0 3 296.414 3.951 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccccc2)c([O-])c1 ZINC000020089852 1124805365 /nfs/dbraw/zinc/80/53/65/1124805365.db2.gz JOPRTGNGIGSEKH-AWEZNQCLSA-N 0 3 255.361 3.594 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cccc(F)c2C1)c1ccccc1[O-] ZINC001170956512 1131313361 /nfs/dbraw/zinc/31/33/61/1131313361.db2.gz XEZQHNPLHODIAC-JSGCOSHPSA-N 0 3 285.362 3.739 20 10 CHCDHN CC[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccccc1[O-] ZINC000021040206 1124893562 /nfs/dbraw/zinc/89/35/62/1124893562.db2.gz QNMFERXWYYCNCG-MRXNPFEDSA-N 0 3 290.451 3.697 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000876684692 1124971522 /nfs/dbraw/zinc/97/15/22/1124971522.db2.gz RDIODIMEKFUUQT-LJQANCHMSA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000876684692 1124971529 /nfs/dbraw/zinc/97/15/29/1124971529.db2.gz RDIODIMEKFUUQT-LJQANCHMSA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c(O)c1 ZINC000876946430 1124991335 /nfs/dbraw/zinc/99/13/35/1124991335.db2.gz QYMUWTZBQIPMTM-WFASDCNBSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CCCCOCc1ccccc1 ZINC000876991463 1124994688 /nfs/dbraw/zinc/99/46/88/1124994688.db2.gz ODMZLTYTXKKZMW-UHFFFAOYSA-N 0 3 299.414 3.787 20 10 CHCDHN CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000876990712 1124994701 /nfs/dbraw/zinc/99/47/01/1124994701.db2.gz AOMJNNFHFRLHSG-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc(C[NH2+]CCc2csc(C(C)C)n2)c([O-])c1 ZINC000876997363 1124997008 /nfs/dbraw/zinc/99/70/08/1124997008.db2.gz UWPJRPQSFZNMQX-UHFFFAOYSA-N 0 3 290.432 3.613 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c([O-])c1 ZINC000877015007 1124997945 /nfs/dbraw/zinc/99/79/45/1124997945.db2.gz DFTVLGIZFQYARG-MRXNPFEDSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c([O-])c1 ZINC000877038526 1125000257 /nfs/dbraw/zinc/00/02/57/1125000257.db2.gz RFFNLOMFAPCNCZ-WBVHZDCISA-N 0 3 291.435 3.632 20 10 CHCDHN CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])CCO1 ZINC000877166463 1125016791 /nfs/dbraw/zinc/01/67/91/1125016791.db2.gz AMKCOMKIADTRMF-FUHWJXTLSA-N 0 3 291.435 3.774 20 10 CHCDHN CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877353741 1125023800 /nfs/dbraw/zinc/02/38/00/1125023800.db2.gz UUAKXVJXOJXUOE-NSHDSACASA-N 0 3 261.287 3.521 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)c([O-])c1 ZINC000877556901 1125044422 /nfs/dbraw/zinc/04/44/22/1125044422.db2.gz CCMXUOHVSOYMAN-CQSZACIVSA-N 0 3 285.412 3.680 20 10 CHCDHN CCc1cccc(C[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000877614016 1125053694 /nfs/dbraw/zinc/05/36/94/1125053694.db2.gz FUIJZBJUAYAVMN-UHFFFAOYSA-N 0 3 255.361 3.553 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)CC(F)(F)F ZINC000877643331 1125058419 /nfs/dbraw/zinc/05/84/19/1125058419.db2.gz HUHBTEILCMPIAL-UHFFFAOYSA-N 0 3 275.314 3.769 20 10 CHCDHN CC(C)(C)c1ccc(CNCc2cc(F)ccc2O)o1 ZINC000877734761 1125071109 /nfs/dbraw/zinc/07/11/09/1125071109.db2.gz FPOPFHYJOYDPAI-UHFFFAOYSA-N 0 3 277.339 3.712 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1C ZINC000877756259 1125071394 /nfs/dbraw/zinc/07/13/94/1125071394.db2.gz CKQRCNISUMZFLE-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1ccccc1[O-] ZINC000877755668 1125071838 /nfs/dbraw/zinc/07/18/38/1125071838.db2.gz KWPAHUYBZNFWQH-NWDGAFQWSA-N 0 3 265.422 3.575 20 10 CHCDHN CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755922 1125072463 /nfs/dbraw/zinc/07/24/63/1125072463.db2.gz SVSVRXSGVQCLMY-VFGMZZLHSA-N 0 3 299.351 3.766 20 10 CHCDHN C[C@@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1[O-] ZINC000877755866 1125073067 /nfs/dbraw/zinc/07/30/67/1125073067.db2.gz PMTJIVYFMIKSRV-CHWSQXEVSA-N 0 3 292.382 3.692 20 10 CHCDHN C[C@@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccccc1O ZINC000877756604 1125073889 /nfs/dbraw/zinc/07/38/89/1125073889.db2.gz XJIHRHBKAQPLPK-YWPYICTPSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccccc1[O-] ZINC000877756604 1125073896 /nfs/dbraw/zinc/07/38/96/1125073896.db2.gz XJIHRHBKAQPLPK-YWPYICTPSA-N 0 3 271.360 3.959 20 10 CHCDHN C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1[O-] ZINC000877757037 1125074679 /nfs/dbraw/zinc/07/46/79/1125074679.db2.gz BNBQYUOKFVBRBH-NSHDSACASA-N 0 3 288.416 3.967 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)c1ccccc1[O-] ZINC000877756628 1125075061 /nfs/dbraw/zinc/07/50/61/1125075061.db2.gz ZWHUSXBOVCQUOV-NWDGAFQWSA-N 0 3 267.438 3.963 20 10 CHCDHN CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877757633 1125074887 /nfs/dbraw/zinc/07/48/87/1125074887.db2.gz PBHIDNUGCHXHRW-LBTNJELSSA-N 0 3 285.387 3.819 20 10 CHCDHN COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000127579356 1125202267 /nfs/dbraw/zinc/20/22/67/1125202267.db2.gz LVSXDCKMRQSJHT-YOEHRIQHSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000127579356 1125202275 /nfs/dbraw/zinc/20/22/75/1125202275.db2.gz LVSXDCKMRQSJHT-YOEHRIQHSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cncc(/C=C/CC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648916 1125222478 /nfs/dbraw/zinc/22/24/78/1125222478.db2.gz GBZMMWAWEBULFB-HZRUHFOJSA-N 0 3 298.386 3.550 20 10 CHCDHN COc1ccc(CNCc2ccc(Cl)cc2)cc1C ZINC000035052575 1125232215 /nfs/dbraw/zinc/23/22/15/1125232215.db2.gz MPCPGUWKJOIJJT-UHFFFAOYSA-N 0 3 275.779 3.947 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCc2ccccc21 ZINC000131989612 1125412853 /nfs/dbraw/zinc/41/28/53/1125412853.db2.gz FNTHSZYBHBZQCE-INIZCTEOSA-N 0 3 253.345 3.512 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCc2ccccc21 ZINC000131989612 1125412856 /nfs/dbraw/zinc/41/28/56/1125412856.db2.gz FNTHSZYBHBZQCE-INIZCTEOSA-N 0 3 253.345 3.512 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c([O-])c1 ZINC000282855465 1125445813 /nfs/dbraw/zinc/44/58/13/1125445813.db2.gz UJDROZVKIQLNKS-PBHICJAKSA-N 0 3 289.419 3.701 20 10 CHCDHN Cc1cncc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000184329430 1129183302 /nfs/dbraw/zinc/18/33/02/1129183302.db2.gz UWHBUFYDRNGVTL-OAHLLOKOSA-N 0 3 295.430 3.623 20 10 CHCDHN CSC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001258324812 1129200385 /nfs/dbraw/zinc/20/03/85/1129200385.db2.gz XIUOZJMZJLSEBO-NWDGAFQWSA-N 0 3 267.438 3.963 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1C)c1ccccc1[O-] ZINC000037718899 1129210128 /nfs/dbraw/zinc/21/01/28/1129210128.db2.gz IGXCPNMRRFARHV-MRXNPFEDSA-N 0 3 255.361 3.942 20 10 CHCDHN CSCC1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296475486 1129222913 /nfs/dbraw/zinc/22/29/13/1129222913.db2.gz NYTDEGUHLLMVNK-ZALBZXLWSA-N 0 3 291.460 3.891 20 10 CHCDHN CC(C)C[C@@H]1COCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000733790086 1129270412 /nfs/dbraw/zinc/27/04/12/1129270412.db2.gz FLRLAJUAPONNCW-MRXNPFEDSA-N 0 3 299.414 3.792 20 10 CHCDHN CC(C)C[C@@H]1COCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000733790086 1129270414 /nfs/dbraw/zinc/27/04/14/1129270414.db2.gz FLRLAJUAPONNCW-MRXNPFEDSA-N 0 3 299.414 3.792 20 10 CHCDHN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000735668129 1129356167 /nfs/dbraw/zinc/35/61/67/1129356167.db2.gz POLZXCWPNSQWGK-OLZOCXBDSA-N 0 3 287.428 3.871 20 10 CHCDHN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000735668129 1129356168 /nfs/dbraw/zinc/35/61/68/1129356168.db2.gz POLZXCWPNSQWGK-OLZOCXBDSA-N 0 3 287.428 3.871 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1cncs1)C1CCCC1 ZINC000093319226 1129420877 /nfs/dbraw/zinc/42/08/77/1129420877.db2.gz XTQNLRDCFOQJED-UHFFFAOYSA-N 0 3 288.416 3.794 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1cncs1)C1CCCC1 ZINC000093319226 1129420880 /nfs/dbraw/zinc/42/08/80/1129420880.db2.gz XTQNLRDCFOQJED-UHFFFAOYSA-N 0 3 288.416 3.794 20 10 CHCDHN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2[O-])C1 ZINC000093868831 1129428590 /nfs/dbraw/zinc/42/85/90/1129428590.db2.gz YRIXGWKYTNNNDG-ZIAGYGMSSA-N 0 3 295.448 3.507 20 10 CHCDHN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C1 ZINC000093868831 1129428591 /nfs/dbraw/zinc/42/85/91/1129428591.db2.gz YRIXGWKYTNNNDG-ZIAGYGMSSA-N 0 3 295.448 3.507 20 10 CHCDHN Cc1cc(O)c(CNCc2ccc3ccccc3n2)cc1C ZINC000742369156 1129472449 /nfs/dbraw/zinc/47/24/49/1129472449.db2.gz NEAKGEBLQLIUFI-UHFFFAOYSA-N 0 3 292.382 3.847 20 10 CHCDHN CCOc1ccc(C[NH2+]Cc2c(C)cccc2F)c([O-])c1 ZINC000742381123 1129476695 /nfs/dbraw/zinc/47/66/95/1129476695.db2.gz PGKSESSXSXIQNW-UHFFFAOYSA-N 0 3 289.350 3.528 20 10 CHCDHN CCOc1ccc(CNCc2c(C)cccc2F)c(O)c1 ZINC000742381123 1129476697 /nfs/dbraw/zinc/47/66/97/1129476697.db2.gz PGKSESSXSXIQNW-UHFFFAOYSA-N 0 3 289.350 3.528 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ncc(C)cc1C)c1ccccc1[O-] ZINC000828156128 1131378861 /nfs/dbraw/zinc/37/88/61/1131378861.db2.gz WPVASPCUXGWXAQ-MRXNPFEDSA-N 0 3 284.403 3.687 20 10 CHCDHN C[C@H]1C[NH+](Cc2c([O-])ccc3ccccc32)C[C@H](C)S1 ZINC000743376956 1129522789 /nfs/dbraw/zinc/52/27/89/1129522789.db2.gz WKDGFBZJVFWRFP-STQMWFEESA-N 0 3 287.428 3.871 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000252854567 1129598911 /nfs/dbraw/zinc/59/89/11/1129598911.db2.gz KUUJYUUAPIHUAC-WDEREUQCSA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000252854567 1129598913 /nfs/dbraw/zinc/59/89/13/1129598913.db2.gz KUUJYUUAPIHUAC-WDEREUQCSA-N 0 3 283.799 3.532 20 10 CHCDHN FC(F)CC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000822521250 1131384652 /nfs/dbraw/zinc/38/46/52/1131384652.db2.gz ZAUXDSNOFXHBFR-UHFFFAOYSA-N 0 3 294.389 3.764 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cccc2ncccc12 ZINC001137630957 1131388077 /nfs/dbraw/zinc/38/80/77/1131388077.db2.gz XRXQSMRQYSHHPC-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cccc2ncccc12 ZINC001137630957 1131388083 /nfs/dbraw/zinc/38/80/83/1131388083.db2.gz XRXQSMRQYSHHPC-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000720899853 1129718484 /nfs/dbraw/zinc/71/84/84/1129718484.db2.gz JUSCDZFIDSHABI-NSHDSACASA-N 0 3 269.335 3.787 20 10 CHCDHN CC/C=C/CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000767325849 1129786130 /nfs/dbraw/zinc/78/61/30/1129786130.db2.gz XYCLZMNLCPGVFO-IDOMTICXSA-N 0 3 289.419 3.730 20 10 CHCDHN CC/C=C/CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000767325849 1129786133 /nfs/dbraw/zinc/78/61/33/1129786133.db2.gz XYCLZMNLCPGVFO-IDOMTICXSA-N 0 3 289.419 3.730 20 10 CHCDHN CC(C)[C@H](CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742381253 1129817744 /nfs/dbraw/zinc/81/77/44/1129817744.db2.gz UKVDHQLSVJWOTH-SFHVURJKSA-N 0 3 299.414 3.556 20 10 CHCDHN Cc1cscc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381000617 1129833865 /nfs/dbraw/zinc/83/38/65/1129833865.db2.gz IAGMHNBEYFPVLP-CYBMUJFWSA-N 0 3 259.374 3.539 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000381322876 1129837749 /nfs/dbraw/zinc/83/77/49/1129837749.db2.gz GLHXQOAXZUCJOW-WDEREUQCSA-N 0 3 255.308 3.539 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000768197849 1129843376 /nfs/dbraw/zinc/84/33/76/1129843376.db2.gz XYNFUCKHVDLRPG-ZDUSSCGKSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000768197849 1129843381 /nfs/dbraw/zinc/84/33/81/1129843381.db2.gz XYNFUCKHVDLRPG-ZDUSSCGKSA-N 0 3 283.371 3.520 20 10 CHCDHN CCOc1cccc(C[N@H+](C(CC)CC)C2CC2)c1[O-] ZINC000768256917 1129846750 /nfs/dbraw/zinc/84/67/50/1129846750.db2.gz GEJGETHKGGCNAM-UHFFFAOYSA-N 0 3 277.408 3.944 20 10 CHCDHN CCOc1cccc(C[N@@H+](C(CC)CC)C2CC2)c1[O-] ZINC000768256917 1129846753 /nfs/dbraw/zinc/84/67/53/1129846753.db2.gz GEJGETHKGGCNAM-UHFFFAOYSA-N 0 3 277.408 3.944 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC000768353929 1129853729 /nfs/dbraw/zinc/85/37/29/1129853729.db2.gz CKGDMHJSKWMCHR-KRWDZBQOSA-N 0 3 298.386 3.523 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c([O-])c1 ZINC000768353929 1129853732 /nfs/dbraw/zinc/85/37/32/1129853732.db2.gz CKGDMHJSKWMCHR-KRWDZBQOSA-N 0 3 298.386 3.523 20 10 CHCDHN C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000382062164 1129854960 /nfs/dbraw/zinc/85/49/60/1129854960.db2.gz YGSKIYYXGBJKMU-FZMZJTMJSA-N 0 3 273.401 3.662 20 10 CHCDHN Cc1cc(C)c(O)c(CN2CCc3cc(F)ccc3C2)c1 ZINC000768482409 1129857607 /nfs/dbraw/zinc/85/76/07/1129857607.db2.gz XKVNSSGEMMGZKR-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2cc(C)cc(Cl)n2)c1 ZINC000800492162 1129879022 /nfs/dbraw/zinc/87/90/22/1129879022.db2.gz CRPQDLNJNWJFLW-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN CC[C@H]([NH2+]CC1(COC)CCC1)c1ccc(C)cc1[O-] ZINC000800493193 1129879334 /nfs/dbraw/zinc/87/93/34/1129879334.db2.gz JGKZCECBYUXASS-HNNXBMFYSA-N 0 3 277.408 3.558 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c([O-])c1 ZINC000800986218 1129902900 /nfs/dbraw/zinc/90/29/00/1129902900.db2.gz CBIDWXXGRVLDHA-GOEBONIOSA-N 0 3 297.398 3.745 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc3OC2)c([O-])c1 ZINC000800986220 1129902988 /nfs/dbraw/zinc/90/29/88/1129902988.db2.gz CBIDWXXGRVLDHA-HOCLYGCPSA-N 0 3 297.398 3.745 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@](C)(CC)C2)c1[O-] ZINC000769445631 1129910208 /nfs/dbraw/zinc/91/02/08/1129910208.db2.gz GXRRZRHBRDQOSV-KRWDZBQOSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@](C)(CC)C2)c1[O-] ZINC000769445631 1129910211 /nfs/dbraw/zinc/91/02/11/1129910211.db2.gz GXRRZRHBRDQOSV-KRWDZBQOSA-N 0 3 277.408 3.803 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000769498649 1129913659 /nfs/dbraw/zinc/91/36/59/1129913659.db2.gz NTUSHKQWBQQRHK-HOCLYGCPSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000769498649 1129913664 /nfs/dbraw/zinc/91/36/64/1129913664.db2.gz NTUSHKQWBQQRHK-HOCLYGCPSA-N 0 3 297.398 3.779 20 10 CHCDHN CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769536647 1129916412 /nfs/dbraw/zinc/91/64/12/1129916412.db2.gz CEAKINSKSOFHON-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1c([O-])cccc1OC ZINC000769536647 1129916414 /nfs/dbraw/zinc/91/64/14/1129916414.db2.gz CEAKINSKSOFHON-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1[O-] ZINC000801527376 1129924521 /nfs/dbraw/zinc/92/45/21/1129924521.db2.gz AFYHNNHDZZRAMS-HOCLYGCPSA-N 0 3 289.419 3.925 20 10 CHCDHN C[C@H](Nc1ccnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772294644 1130016089 /nfs/dbraw/zinc/01/60/89/1130016089.db2.gz COXXGWOUHOLLLS-AWEZNQCLSA-N 0 3 291.398 3.896 20 10 CHCDHN Cc1ccncc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000772454510 1130022215 /nfs/dbraw/zinc/02/22/15/1130022215.db2.gz IECSZGNXQLBBMD-HNNXBMFYSA-N 0 3 283.419 3.615 20 10 CHCDHN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001461933505 1130115886 /nfs/dbraw/zinc/11/58/86/1130115886.db2.gz FLXJLURMWDQBRB-CABCVRRESA-N 0 3 279.449 3.807 20 10 CHCDHN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001461933505 1130115887 /nfs/dbraw/zinc/11/58/87/1130115887.db2.gz FLXJLURMWDQBRB-CABCVRRESA-N 0 3 279.449 3.807 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc2c(c1)CCO2 ZINC000903238761 1130133538 /nfs/dbraw/zinc/13/35/38/1130133538.db2.gz WIVAXSWWDPXOAY-CHWSQXEVSA-N 0 3 283.371 3.739 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCOC12CCCCC2)c1ccccc1[O-] ZINC000903274197 1130142954 /nfs/dbraw/zinc/14/29/54/1130142954.db2.gz JPDFFQUFANDSPR-CZUORRHYSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@@H]([NH2+]Cc1c(C)cc(CO)cc1C)c1ccccc1[O-] ZINC000903306904 1130149484 /nfs/dbraw/zinc/14/94/84/1130149484.db2.gz CXSBIDJVDATYRO-GOSISDBHSA-N 0 3 299.414 3.742 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cncs1 ZINC000903310525 1130150726 /nfs/dbraw/zinc/15/07/26/1130150726.db2.gz KKQCHXIUBLRRBS-YWVKMMECSA-N 0 3 292.379 3.887 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](c2ccncc2)C2CC2)c([O-])c1 ZINC000903430341 1130177007 /nfs/dbraw/zinc/17/70/07/1130177007.db2.gz YVRZPRCEBZMVLC-SCLBCKFNSA-N 0 3 282.387 3.898 20 10 CHCDHN CCC(O)(CC)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000788264501 1130180182 /nfs/dbraw/zinc/18/01/82/1130180182.db2.gz XYVMVAGNGABYNH-DGCLKSJQSA-N 0 3 295.398 3.610 20 10 CHCDHN CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000788624887 1130198630 /nfs/dbraw/zinc/19/86/30/1130198630.db2.gz HCUKQVYEZQNOBK-KYNGSXCRSA-N 0 3 299.414 3.801 20 10 CHCDHN C[C@H]1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000789327840 1130243761 /nfs/dbraw/zinc/24/37/61/1130243761.db2.gz XAQJEBUMEVYVEH-YOEHRIQHSA-N 0 3 289.419 3.704 20 10 CHCDHN C[C@H]1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000789327840 1130243763 /nfs/dbraw/zinc/24/37/63/1130243763.db2.gz XAQJEBUMEVYVEH-YOEHRIQHSA-N 0 3 289.419 3.704 20 10 CHCDHN CCn1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000792182283 1130437894 /nfs/dbraw/zinc/43/78/94/1130437894.db2.gz AHUKEDDYYRJXTQ-UHFFFAOYSA-N 0 3 292.810 3.807 20 10 CHCDHN CCn1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000792182283 1130437897 /nfs/dbraw/zinc/43/78/97/1130437897.db2.gz AHUKEDDYYRJXTQ-UHFFFAOYSA-N 0 3 292.810 3.807 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C2CC2)O1 ZINC000793214624 1130530379 /nfs/dbraw/zinc/53/03/79/1130530379.db2.gz PPHDCZPPVDQRFJ-YJYMSZOUSA-N 0 3 297.398 3.545 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C2CC2)O1 ZINC000793214624 1130530383 /nfs/dbraw/zinc/53/03/83/1130530383.db2.gz PPHDCZPPVDQRFJ-YJYMSZOUSA-N 0 3 297.398 3.545 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1[O-] ZINC000793353338 1130543103 /nfs/dbraw/zinc/54/31/03/1130543103.db2.gz RZQBYZPAKSTWME-CQSZACIVSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1[O-] ZINC000793353338 1130543107 /nfs/dbraw/zinc/54/31/07/1130543107.db2.gz RZQBYZPAKSTWME-CQSZACIVSA-N 0 3 277.408 3.801 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000793351993 1130549478 /nfs/dbraw/zinc/54/94/78/1130549478.db2.gz LMHUPOMPUJOJNL-PBHICJAKSA-N 0 3 285.362 3.957 20 10 CHCDHN COc1ccc(C[NH2+]C/C(C)=C/c2ccccc2)c([O-])c1 ZINC000793387331 1130552420 /nfs/dbraw/zinc/55/24/20/1130552420.db2.gz DFOLRMXQKNJGMK-GXDHUFHOSA-N 0 3 283.371 3.594 20 10 CHCDHN CC1(C)[C@H]([NH2+]Cc2ccccc2[O-])C[C@H]1Oc1ccccc1 ZINC000793530154 1130572135 /nfs/dbraw/zinc/57/21/35/1130572135.db2.gz ZEXUNRJJHULZPE-QZTJIDSGSA-N 0 3 297.398 3.728 20 10 CHCDHN CC[C@@H](Oc1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC001234660082 1130669101 /nfs/dbraw/zinc/66/91/01/1130669101.db2.gz DBRGVTNJVPRMNL-GOSISDBHSA-N 0 3 290.451 3.642 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000780571064 1130684647 /nfs/dbraw/zinc/68/46/47/1130684647.db2.gz VZFKOLHNNVRFAN-SFHVURJKSA-N 0 3 295.382 3.842 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000781926888 1130748195 /nfs/dbraw/zinc/74/81/95/1130748195.db2.gz BIURNNFQIMLGLL-KBXCAEBGSA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000781926888 1130748196 /nfs/dbraw/zinc/74/81/96/1130748196.db2.gz BIURNNFQIMLGLL-KBXCAEBGSA-N 0 3 289.419 3.803 20 10 CHCDHN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccc(N(C)C)cc1 ZINC000781920962 1130748853 /nfs/dbraw/zinc/74/88/53/1130748853.db2.gz CENQSVDCSQERJN-OLZOCXBDSA-N 0 3 287.382 3.699 20 10 CHCDHN C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC1CCOCC1 ZINC001235674440 1130766434 /nfs/dbraw/zinc/76/64/34/1130766434.db2.gz GBOFJCZVUVANIH-UHFFFAOYSA-N 0 3 291.435 3.548 20 10 CHCDHN C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC1CCOCC1 ZINC001235674440 1130766440 /nfs/dbraw/zinc/76/64/40/1130766440.db2.gz GBOFJCZVUVANIH-UHFFFAOYSA-N 0 3 291.435 3.548 20 10 CHCDHN CC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C1CCOCC1 ZINC001235685946 1130768913 /nfs/dbraw/zinc/76/89/13/1130768913.db2.gz VUDXMRMJGAVYFL-UHFFFAOYSA-N 0 3 291.435 3.691 20 10 CHCDHN CC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C1CCOCC1 ZINC001235685946 1130768918 /nfs/dbraw/zinc/76/89/18/1130768918.db2.gz VUDXMRMJGAVYFL-UHFFFAOYSA-N 0 3 291.435 3.691 20 10 CHCDHN Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000813882620 1130793613 /nfs/dbraw/zinc/79/36/13/1130793613.db2.gz FILWEPABUYIDMC-ZYHUDNBSSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccoc1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000813882620 1130793618 /nfs/dbraw/zinc/79/36/18/1130793618.db2.gz FILWEPABUYIDMC-ZYHUDNBSSA-N 0 3 275.323 3.771 20 10 CHCDHN CCC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccn1 ZINC000783510414 1130832876 /nfs/dbraw/zinc/83/28/76/1130832876.db2.gz YYVONCVCWBBXCI-CJNGLKHVSA-N 0 3 270.376 3.979 20 10 CHCDHN C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccccc1[O-] ZINC000783522544 1130833550 /nfs/dbraw/zinc/83/35/50/1130833550.db2.gz PFRFMCZHAWJXET-VBHSOAQHSA-N 0 3 267.372 3.976 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2CCC(C3CC3)CC2)c1[O-] ZINC000814172425 1130833776 /nfs/dbraw/zinc/83/37/76/1130833776.db2.gz MXCBDNKXUMHGFS-UHFFFAOYSA-N 0 3 295.810 3.676 20 10 CHCDHN Cc1ccoc1CN(C)Cc1cc(Cl)cc(C)c1O ZINC000814175611 1130834373 /nfs/dbraw/zinc/83/43/73/1130834373.db2.gz XDYNYBNUWYBJJQ-UHFFFAOYSA-N 0 3 279.767 3.887 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccccc1[O-] ZINC000783526058 1130834801 /nfs/dbraw/zinc/83/48/01/1130834801.db2.gz RGAXDWVQTXPHPC-YVEFUNNKSA-N 0 3 268.360 3.589 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)c([O-])c1 ZINC000814170857 1130837627 /nfs/dbraw/zinc/83/76/27/1130837627.db2.gz FLZIGDCTOVFDCM-QGZVFWFLSA-N 0 3 289.419 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)c([O-])c1 ZINC000814170857 1130837633 /nfs/dbraw/zinc/83/76/33/1130837633.db2.gz FLZIGDCTOVFDCM-QGZVFWFLSA-N 0 3 289.419 3.801 20 10 CHCDHN CCSCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168809666 1130917870 /nfs/dbraw/zinc/91/78/70/1130917870.db2.gz VEDCKHUTZBMTSN-QWRGUYRKSA-N 0 3 271.401 3.714 20 10 CHCDHN CCN(C)c1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000815119704 1130958628 /nfs/dbraw/zinc/95/86/28/1130958628.db2.gz FJDRTWMCFXEIPJ-ZDUSSCGKSA-N 0 3 282.378 3.620 20 10 CHCDHN CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1[O-] ZINC000797070352 1130958930 /nfs/dbraw/zinc/95/89/30/1130958930.db2.gz KYKLRKJRBYQCRJ-LLVKDONJSA-N 0 3 273.298 3.775 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC(C)=C[C@@H](C)C3)c2c1 ZINC000797416024 1130985909 /nfs/dbraw/zinc/98/59/09/1130985909.db2.gz FMKFVWRSPRFWJT-CYBMUJFWSA-N 0 3 297.398 3.952 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC(C)=C[C@@H](C)C3)c2c1 ZINC000797416024 1130985913 /nfs/dbraw/zinc/98/59/13/1130985913.db2.gz FMKFVWRSPRFWJT-CYBMUJFWSA-N 0 3 297.398 3.952 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2cccc(C)c2)c([O-])c1 ZINC001236782419 1131005972 /nfs/dbraw/zinc/00/59/72/1131005972.db2.gz BHGRAMLYOACZBJ-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2cccc(C)c2)c([O-])c1 ZINC001236782419 1131005976 /nfs/dbraw/zinc/00/59/76/1131005976.db2.gz BHGRAMLYOACZBJ-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC001236790369 1131006187 /nfs/dbraw/zinc/00/61/87/1131006187.db2.gz WMVUOJVMEBKSTL-QGZVFWFLSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c([O-])c1 ZINC001236790369 1131006192 /nfs/dbraw/zinc/00/61/92/1131006192.db2.gz WMVUOJVMEBKSTL-QGZVFWFLSA-N 0 3 282.387 3.687 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001236791079 1131006828 /nfs/dbraw/zinc/00/68/28/1131006828.db2.gz CWHLORMSMBBBGW-SFHVURJKSA-N 0 3 296.414 3.557 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c([O-])c1 ZINC001236791079 1131006831 /nfs/dbraw/zinc/00/68/31/1131006831.db2.gz CWHLORMSMBBBGW-SFHVURJKSA-N 0 3 296.414 3.557 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001236786812 1131007007 /nfs/dbraw/zinc/00/70/07/1131007007.db2.gz PKRPRRZZAJEXSX-LSDHHAIUSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001236786812 1131007010 /nfs/dbraw/zinc/00/70/10/1131007010.db2.gz PKRPRRZZAJEXSX-LSDHHAIUSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c([O-])c1 ZINC001236788362 1131007257 /nfs/dbraw/zinc/00/72/57/1131007257.db2.gz JOGSHNCHNAPJBE-UHFFFAOYSA-N 0 3 296.414 3.729 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001236827119 1131015754 /nfs/dbraw/zinc/01/57/54/1131015754.db2.gz PLIRYYQXEYIKSC-HZPDHXFCSA-N 0 3 267.372 3.777 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001236827120 1131015890 /nfs/dbraw/zinc/01/58/90/1131015890.db2.gz PLIRYYQXEYIKSC-IYBDPMFKSA-N 0 3 267.372 3.777 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001236827120 1131015896 /nfs/dbraw/zinc/01/58/96/1131015896.db2.gz PLIRYYQXEYIKSC-IYBDPMFKSA-N 0 3 267.372 3.777 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c([O-])c1 ZINC001237046207 1131041240 /nfs/dbraw/zinc/04/12/40/1131041240.db2.gz RIGDMBMONPWQNG-GASCZTMLSA-N 0 3 295.373 3.993 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c([O-])c1 ZINC001237046207 1131041246 /nfs/dbraw/zinc/04/12/46/1131041246.db2.gz RIGDMBMONPWQNG-GASCZTMLSA-N 0 3 295.373 3.993 20 10 CHCDHN CC(C)c1ccc(CN2CCC[C@@](C)(F)C2)c(O)c1 ZINC001237045429 1131041622 /nfs/dbraw/zinc/04/16/22/1131041622.db2.gz KNWPTGXLWXOXMM-MRXNPFEDSA-N 0 3 265.372 3.840 20 10 CHCDHN CC[C@@H](C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237052243 1131042100 /nfs/dbraw/zinc/04/21/00/1131042100.db2.gz REPNKUKHFPFPJW-SNVBAGLBSA-N 0 3 291.313 3.564 20 10 CHCDHN CC[C@@H](C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237052243 1131042106 /nfs/dbraw/zinc/04/21/06/1131042106.db2.gz REPNKUKHFPFPJW-SNVBAGLBSA-N 0 3 291.313 3.564 20 10 CHCDHN CC[C@@H]1CC[N@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237686716 1131126469 /nfs/dbraw/zinc/12/64/69/1131126469.db2.gz XEESNONWDUQEAI-LLVKDONJSA-N 0 3 298.224 3.695 20 10 CHCDHN CC[C@@H]1CC[N@@H+](Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237686716 1131126472 /nfs/dbraw/zinc/12/64/72/1131126472.db2.gz XEESNONWDUQEAI-LLVKDONJSA-N 0 3 298.224 3.695 20 10 CHCDHN CC[C@H](C)[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237681993 1131126547 /nfs/dbraw/zinc/12/65/47/1131126547.db2.gz VELCZKWJYABAMI-JTQLQIEISA-N 0 3 286.213 3.693 20 10 CHCDHN CC[C@H](C)[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237681993 1131126549 /nfs/dbraw/zinc/12/65/49/1131126549.db2.gz VELCZKWJYABAMI-JTQLQIEISA-N 0 3 286.213 3.693 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCCCC[C@@H]2C)c1[O-] ZINC001238062143 1131166891 /nfs/dbraw/zinc/16/68/91/1131166891.db2.gz UZKSMYJJPZRVIV-LBPRGKRZSA-N 0 3 251.345 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCCCC[C@@H]2C)c1[O-] ZINC001238062143 1131166895 /nfs/dbraw/zinc/16/68/95/1131166895.db2.gz UZKSMYJJPZRVIV-LBPRGKRZSA-N 0 3 251.345 3.604 20 10 CHCDHN Cc1cc(F)cc(CN2CCC[C@@H]2c2ccncc2)c1O ZINC001238062444 1131167028 /nfs/dbraw/zinc/16/70/28/1131167028.db2.gz PWPLTTBQRHCLSY-MRXNPFEDSA-N 0 3 286.350 3.572 20 10 CHCDHN CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCO1 ZINC000817586757 1131173745 /nfs/dbraw/zinc/17/37/45/1131173745.db2.gz SBNQVSMDPPNXED-FMCLSXCISA-N 0 3 293.382 3.627 20 10 CHCDHN CC[N@H+](Cc1cncc(C2CC2)c1)Cc1ccccc1[O-] ZINC001238191891 1131178148 /nfs/dbraw/zinc/17/81/48/1131178148.db2.gz DXGZTSKVJCHWSH-UHFFFAOYSA-N 0 3 282.387 3.687 20 10 CHCDHN CC[N@@H+](Cc1cncc(C2CC2)c1)Cc1ccccc1[O-] ZINC001238191891 1131178149 /nfs/dbraw/zinc/17/81/49/1131178149.db2.gz DXGZTSKVJCHWSH-UHFFFAOYSA-N 0 3 282.387 3.687 20 10 CHCDHN CCN(Cc1cncc(C2CC2)c1)Cc1ccccc1O ZINC001238191891 1131178152 /nfs/dbraw/zinc/17/81/52/1131178152.db2.gz DXGZTSKVJCHWSH-UHFFFAOYSA-N 0 3 282.387 3.687 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000818238558 1131206768 /nfs/dbraw/zinc/20/67/68/1131206768.db2.gz KYLWWFLROTXSGC-ALXJQNPVSA-N 0 3 279.383 3.947 20 10 CHCDHN CS[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824683231 1131479630 /nfs/dbraw/zinc/47/96/30/1131479630.db2.gz ANOWTNCDGUGOPK-KRWDZBQOSA-N 0 3 299.439 3.997 20 10 CHCDHN CS[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824683231 1131479634 /nfs/dbraw/zinc/47/96/34/1131479634.db2.gz ANOWTNCDGUGOPK-KRWDZBQOSA-N 0 3 299.439 3.997 20 10 CHCDHN Cc1ccc2[nH]c(CN3CCc4cccc(O)c4C3)cc2c1 ZINC001138418446 1131501492 /nfs/dbraw/zinc/50/14/92/1131501492.db2.gz UJHIBBYMBLRKLF-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000825299829 1131505354 /nfs/dbraw/zinc/50/53/54/1131505354.db2.gz PKZMSZQEYQCCBI-ZMSDIMECSA-N 0 3 277.408 3.781 20 10 CHCDHN Cc1cccc2[nH]cc(C[N@@H+](C)Cc3ccccc3[O-])c21 ZINC001139200547 1131595359 /nfs/dbraw/zinc/59/53/59/1131595359.db2.gz ZYJDXMNYUYTAEF-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN Cc1cccc2[nH]cc(C[N@H+](C)Cc3ccccc3[O-])c21 ZINC001139200547 1131595365 /nfs/dbraw/zinc/59/53/65/1131595365.db2.gz ZYJDXMNYUYTAEF-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1c(C)cc(O)cc1C ZINC001139715448 1131632044 /nfs/dbraw/zinc/63/20/44/1131632044.db2.gz JOVGZPCPGXYHDB-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1c(C)cc(O)cc1C ZINC001139715448 1131632046 /nfs/dbraw/zinc/63/20/46/1131632046.db2.gz JOVGZPCPGXYHDB-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])cc1C ZINC001140060288 1131660294 /nfs/dbraw/zinc/66/02/94/1131660294.db2.gz UFYWPXLAMAFFFD-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2cc(F)ccc2[O-])cc1C ZINC001140060288 1131660297 /nfs/dbraw/zinc/66/02/97/1131660297.db2.gz UFYWPXLAMAFFFD-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN CC[C@H](OCC[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000846017247 1131677975 /nfs/dbraw/zinc/67/79/75/1131677975.db2.gz BQHGKHXKSVCBHW-SFHVURJKSA-N 0 3 285.387 3.650 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(c3ccc(F)cc3)CC1)CC2 ZINC000834513105 1131680949 /nfs/dbraw/zinc/68/09/49/1131680949.db2.gz GATCVHKKGACBGV-INIZCTEOSA-N 0 3 297.373 3.840 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(c3ccc(F)cc3)CC1)CC2 ZINC000834513106 1131681203 /nfs/dbraw/zinc/68/12/03/1131681203.db2.gz GATCVHKKGACBGV-MRXNPFEDSA-N 0 3 297.373 3.840 20 10 CHCDHN CCC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccn1 ZINC000834566958 1131684343 /nfs/dbraw/zinc/68/43/43/1131684343.db2.gz WBHNYAPSQBTTAK-CVEARBPZSA-N 0 3 282.387 3.906 20 10 CHCDHN COc1cc(CC[NH2+][C@H]2CCc3cccc([O-])c32)ccc1C ZINC000834598065 1131686942 /nfs/dbraw/zinc/68/69/42/1131686942.db2.gz MNUQNBKZKPAITC-INIZCTEOSA-N 0 3 297.398 3.529 20 10 CHCDHN C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834645504 1131689909 /nfs/dbraw/zinc/68/99/09/1131689909.db2.gz FTRHKNCZKVAFKU-FXHACXQTSA-N 0 3 279.383 3.903 20 10 CHCDHN Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834641054 1131690051 /nfs/dbraw/zinc/69/00/51/1131690051.db2.gz VSUJHMFLYRQOIP-IRXDYDNUSA-N 0 3 279.383 3.965 20 10 CHCDHN Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000834639753 1131690127 /nfs/dbraw/zinc/69/01/27/1131690127.db2.gz ASQRMYFGIKFAKU-IRXDYDNUSA-N 0 3 279.383 3.965 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)CC2 ZINC000834668721 1131692461 /nfs/dbraw/zinc/69/24/61/1131692461.db2.gz NPXIEZDEVQWONS-BRWVUGGUSA-N 0 3 279.383 3.600 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)CC2 ZINC000834668726 1131692634 /nfs/dbraw/zinc/69/26/34/1131692634.db2.gz NPXIEZDEVQWONS-ZACQAIPSSA-N 0 3 279.383 3.600 20 10 CHCDHN COC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCCC1 ZINC000834814519 1131707659 /nfs/dbraw/zinc/70/76/59/1131707659.db2.gz LIJDXVRGCWGNBQ-WCQYABFASA-N 0 3 293.382 3.628 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccccc1[O-] ZINC000834817874 1131707902 /nfs/dbraw/zinc/70/79/02/1131707902.db2.gz DTAHJKBGBIAZFN-OLZOCXBDSA-N 0 3 285.412 3.932 20 10 CHCDHN CC[C@@](C)(C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])OC ZINC000834882550 1131716596 /nfs/dbraw/zinc/71/65/96/1131716596.db2.gz ROUOEGHWQHFCSU-NHYWBVRUSA-N 0 3 285.815 3.820 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCC(OC(F)F)CC1)CC2 ZINC000834906622 1131728150 /nfs/dbraw/zinc/72/81/50/1131728150.db2.gz YPYFTJDSLZOORY-BPCQOVAHSA-N 0 3 297.345 3.520 20 10 CHCDHN CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000834904974 1131729300 /nfs/dbraw/zinc/72/93/00/1131729300.db2.gz RKBAECRNCFAORY-UVWXRNBGSA-N 0 3 297.826 3.818 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000834909131 1131730869 /nfs/dbraw/zinc/73/08/69/1131730869.db2.gz JHSCJEXSVLFWJI-HOCLYGCPSA-N 0 3 291.435 3.947 20 10 CHCDHN CN(C)c1ccc(/C=C\CN2CCC(C(F)F)CC2)cc1 ZINC000835028155 1131759005 /nfs/dbraw/zinc/75/90/05/1131759005.db2.gz KDQDKADONYJMJN-ARJAWSKDSA-N 0 3 294.389 3.743 20 10 CHCDHN Cc1ccc(O)c(CN2CCc3c(Cl)cccc3C2)c1 ZINC001140622674 1131831592 /nfs/dbraw/zinc/83/15/92/1131831592.db2.gz CWHWDPLHAWQQCH-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cccc2ccncc21 ZINC001140644487 1131842679 /nfs/dbraw/zinc/84/26/79/1131842679.db2.gz PTNVSBQZTIFAHI-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cccc2ccncc21 ZINC001140644487 1131842685 /nfs/dbraw/zinc/84/26/85/1131842685.db2.gz PTNVSBQZTIFAHI-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN Cc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c([O-])c1 ZINC001140947818 1131970437 /nfs/dbraw/zinc/97/04/37/1131970437.db2.gz GZVWPROMGAJSPD-UHFFFAOYSA-N 0 3 281.346 3.712 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c([O-])c1 ZINC001140954302 1131971429 /nfs/dbraw/zinc/97/14/29/1131971429.db2.gz PFEQKULXYNIEGX-UHFFFAOYSA-N 0 3 297.398 3.786 20 10 CHCDHN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1[O-] ZINC000716000441 1132007997 /nfs/dbraw/zinc/00/79/97/1132007997.db2.gz JAZDICUNMIIOIJ-RLAWYHOSSA-N 0 3 277.433 3.717 20 10 CHCDHN Cc1cccc2c1CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C2 ZINC001171552992 1132053396 /nfs/dbraw/zinc/05/33/96/1132053396.db2.gz JRGUDOADQHCPOP-ZBFHGGJFSA-N 0 3 281.399 3.909 20 10 CHCDHN Cc1cc(Cl)ccc1CN1CCc2cccc(O)c2C1 ZINC001141233972 1132054774 /nfs/dbraw/zinc/05/47/74/1132054774.db2.gz ZMHCPTOCXDIJIA-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CCOc1ccc(C[NH2+]C2CCC(C(F)F)CC2)c([O-])c1 ZINC000839179244 1132189003 /nfs/dbraw/zinc/18/90/03/1132189003.db2.gz HOSSUZPMYCKKPH-UHFFFAOYSA-N 0 3 299.361 3.704 20 10 CHCDHN C[C@H](c1ccccc1)[N@H+](CC[C@H](C)O)Cc1ccccc1[O-] ZINC000839530948 1132222088 /nfs/dbraw/zinc/22/20/88/1132222088.db2.gz GLYYFYOYIHLZKV-JKSUJKDBSA-N 0 3 299.414 3.726 20 10 CHCDHN C[C@H](c1ccccc1)[N@@H+](CC[C@H](C)O)Cc1ccccc1[O-] ZINC000839530948 1132222090 /nfs/dbraw/zinc/22/20/90/1132222090.db2.gz GLYYFYOYIHLZKV-JKSUJKDBSA-N 0 3 299.414 3.726 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1ccc(C)cc1[O-] ZINC000840764618 1132283447 /nfs/dbraw/zinc/28/34/47/1132283447.db2.gz QRJSUUIVZPPWNL-IJEWVQPXSA-N 0 3 277.408 3.697 20 10 CHCDHN C[C@@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)c1ccccc1[O-] ZINC001172647935 1132288426 /nfs/dbraw/zinc/28/84/26/1132288426.db2.gz PPRNRHXEHWDUNA-GFCCVEGCSA-N 0 3 277.408 3.779 20 10 CHCDHN CC[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)c1ccc(C)cc1[O-] ZINC000840807185 1132289223 /nfs/dbraw/zinc/28/92/23/1132289223.db2.gz RANLTACDSWUVBU-BHYGNILZSA-N 0 3 289.419 3.699 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(C3CCC3)CCC1)CC2 ZINC000840811455 1132290104 /nfs/dbraw/zinc/29/01/04/1132290104.db2.gz LATAMNDSHQANEX-CQSZACIVSA-N 0 3 257.377 3.692 20 10 CHCDHN COCC1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000840883490 1132303150 /nfs/dbraw/zinc/30/31/50/1132303150.db2.gz ZVMWNULRJMMFTK-WLYUNCDWSA-N 0 3 277.408 3.556 20 10 CHCDHN Cc1cc(N(C)C)ccc1CNC1(c2ccccc2)CC1 ZINC000840932109 1132310681 /nfs/dbraw/zinc/31/06/81/1132310681.db2.gz NHINFGJNFSFISO-UHFFFAOYSA-N 0 3 280.415 3.840 20 10 CHCDHN Cc1ncccc1C[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC001231589784 1132317353 /nfs/dbraw/zinc/31/73/53/1132317353.db2.gz QMUBUJFBCCXJNE-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ncccc1C[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC001231589784 1132317357 /nfs/dbraw/zinc/31/73/57/1132317357.db2.gz QMUBUJFBCCXJNE-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001231587218 1132319780 /nfs/dbraw/zinc/31/97/80/1132319780.db2.gz RDFILYAURBILKA-DOMZBBRYSA-N 0 3 289.325 3.632 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001231587218 1132319789 /nfs/dbraw/zinc/31/97/89/1132319789.db2.gz RDFILYAURBILKA-DOMZBBRYSA-N 0 3 289.325 3.632 20 10 CHCDHN Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001172844362 1132336095 /nfs/dbraw/zinc/33/60/95/1132336095.db2.gz RPEZLCJMYFTFSZ-SFHVURJKSA-N 0 3 293.410 3.616 20 10 CHCDHN Cc1ccc2c(c1)C[C@@H]([N@H+]1CCc3cccc([O-])c3C1)CC2 ZINC001172844362 1132336104 /nfs/dbraw/zinc/33/61/04/1132336104.db2.gz RPEZLCJMYFTFSZ-SFHVURJKSA-N 0 3 293.410 3.616 20 10 CHCDHN COc1ccccc1CN(C)Cc1c(C)cc(C)cc1O ZINC001231845681 1132377848 /nfs/dbraw/zinc/37/78/48/1132377848.db2.gz QASLDGLYZULXLH-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cc(N(C)C)ccc1CN1CCC2(CCC2)CC1 ZINC001231852541 1132379546 /nfs/dbraw/zinc/37/95/46/1132379546.db2.gz XQXWGCNYGOYHFU-UHFFFAOYSA-N 0 3 288.435 3.527 20 10 CHCDHN C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841743484 1132387075 /nfs/dbraw/zinc/38/70/75/1132387075.db2.gz HPQCPFWSOWMJCS-ZDUSSCGKSA-N 0 3 296.842 3.572 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccccc1[O-] ZINC000841760457 1132393596 /nfs/dbraw/zinc/39/35/96/1132393596.db2.gz FLDUTHAHSPIJOB-WBVHZDCISA-N 0 3 291.435 3.764 20 10 CHCDHN CCN(Cc1ccnc(C(F)F)c1)Cc1ccccc1O ZINC001231893045 1132393845 /nfs/dbraw/zinc/39/38/45/1132393845.db2.gz QWBXXZAYGGGVEK-UHFFFAOYSA-N 0 3 292.329 3.747 20 10 CHCDHN CC(C)C[C@H](NCc1ccc2c(c1)CCO2)c1ccncc1 ZINC000842836410 1132467504 /nfs/dbraw/zinc/46/75/04/1132467504.db2.gz ANLANWZQXXEMCE-SFHVURJKSA-N 0 3 296.414 3.894 20 10 CHCDHN COCC1(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000842890532 1132473846 /nfs/dbraw/zinc/47/38/46/1132473846.db2.gz GUKROJHUGFVJCE-LBPRGKRZSA-N 0 3 297.826 3.821 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)c1[O-] ZINC000842928824 1132477460 /nfs/dbraw/zinc/47/74/60/1132477460.db2.gz LTXWLLBKQZJTDO-CWSCBRNRSA-N 0 3 285.840 3.899 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001142941269 1132487376 /nfs/dbraw/zinc/48/73/76/1132487376.db2.gz BWYGDMMPZFBHDO-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCc3cccc([O-])c3C2)c(C)c1 ZINC001142941269 1132487381 /nfs/dbraw/zinc/48/73/81/1132487381.db2.gz BWYGDMMPZFBHDO-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN Cc1ccccc1C1([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000843419409 1132530099 /nfs/dbraw/zinc/53/00/99/1132530099.db2.gz VUUTYPOBEIQCPC-UHFFFAOYSA-N 0 3 271.335 3.619 20 10 CHCDHN CCN(Cc1ccc(C)c(C)c1)Cc1ccc(O)c(O)c1 ZINC001203879898 1133378645 /nfs/dbraw/zinc/37/86/45/1133378645.db2.gz GTENMQSQFMZEOV-UHFFFAOYSA-N 0 3 285.387 3.737 20 10 CHCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1F ZINC001204232589 1133423065 /nfs/dbraw/zinc/42/30/65/1133423065.db2.gz FYAALXDCCYSASP-DYVFJYSZSA-N 0 3 286.394 3.696 20 10 CHCDHN Cc1ccc(CC[N@@H+](C)Cc2ccccc2[O-])cc1C ZINC001204826967 1133490688 /nfs/dbraw/zinc/49/06/88/1133490688.db2.gz PFWFQKPEBHQABD-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN Cc1ccc(CC[N@H+](C)Cc2ccccc2[O-])cc1C ZINC001204826967 1133490690 /nfs/dbraw/zinc/49/06/90/1133490690.db2.gz PFWFQKPEBHQABD-UHFFFAOYSA-N 0 3 269.388 3.684 20 10 CHCDHN Cc1ccc(C[NH2+]C/C=C/c2ccccc2)c([O-])c1 ZINC001204983948 1133512935 /nfs/dbraw/zinc/51/29/35/1133512935.db2.gz DVPHVCWTEBYGEM-VMPITWQZSA-N 0 3 253.345 3.504 20 10 CHCDHN CC[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC001205471622 1133579729 /nfs/dbraw/zinc/57/97/29/1133579729.db2.gz OTMBQXDEVIWDIE-RYUDHWBXSA-N 0 3 282.378 3.651 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1cc(C)ccc1F ZINC001205655625 1133599866 /nfs/dbraw/zinc/59/98/66/1133599866.db2.gz SEIICWHRSBQIHO-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)c1[O-] ZINC001206040162 1133646362 /nfs/dbraw/zinc/64/63/62/1133646362.db2.gz OORXHPARJOLGLL-HNNXBMFYSA-N 0 3 297.826 3.921 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)c1[O-] ZINC001206040162 1133646365 /nfs/dbraw/zinc/64/63/65/1133646365.db2.gz OORXHPARJOLGLL-HNNXBMFYSA-N 0 3 297.826 3.921 20 10 CHCDHN COc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2C(C)C)c1O ZINC001206040162 1133646368 /nfs/dbraw/zinc/64/63/68/1133646368.db2.gz OORXHPARJOLGLL-HNNXBMFYSA-N 0 3 297.826 3.921 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1c[nH]c3cc(F)ccc13)CC2 ZINC001209694846 1134052174 /nfs/dbraw/zinc/05/21/74/1134052174.db2.gz YOILHESHZHHUMZ-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1c[nH]c3cc(F)ccc13)CC2 ZINC001209694846 1134052181 /nfs/dbraw/zinc/05/21/81/1134052181.db2.gz YOILHESHZHHUMZ-UHFFFAOYSA-N 0 3 296.345 3.571 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2ccccc2F)c1 ZINC000035628680 260030924 /nfs/dbraw/zinc/03/09/24/260030924.db2.gz PEXGKXWYYNVDCM-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1[O-] ZINC000020127749 171013641 /nfs/dbraw/zinc/01/36/41/171013641.db2.gz JXOUXQKIEHEHMX-SWLSCSKDSA-N 0 3 256.349 3.589 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000020129852 171018979 /nfs/dbraw/zinc/01/89/79/171018979.db2.gz MYPSNNIXSKSHCD-YVEFUNNKSA-N 0 3 283.371 3.739 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000020137099 171024618 /nfs/dbraw/zinc/02/46/18/171024618.db2.gz NHTSKVCAGUVVSE-KBPBESRZSA-N 0 3 255.361 3.847 20 10 CHCDHN C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020144724 171030247 /nfs/dbraw/zinc/03/02/47/171030247.db2.gz XJTOQXRKKKWXJF-STQMWFEESA-N 0 3 259.349 3.657 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)c([O-])c1 ZINC000020473294 171216717 /nfs/dbraw/zinc/21/67/17/171216717.db2.gz KXUUEIZCRUVQSA-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccco1 ZINC000022146683 171356749 /nfs/dbraw/zinc/35/67/49/171356749.db2.gz MYTCQOLVZRPEPD-YPMHNXCESA-N 0 3 257.333 3.632 20 10 CHCDHN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000037199088 260073953 /nfs/dbraw/zinc/07/39/53/260073953.db2.gz PRVFYNJUHLYSEC-CQSZACIVSA-N 0 3 284.403 3.612 20 10 CHCDHN CC[C@H]([NH2+]CCCOC1CCCC1)c1ccccc1[O-] ZINC000155491905 261102796 /nfs/dbraw/zinc/10/27/96/261102796.db2.gz XNEKHMOSQWQZTL-INIZCTEOSA-N 0 3 277.408 3.782 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)c1ccccc1[O-] ZINC000156698441 261130053 /nfs/dbraw/zinc/13/00/53/261130053.db2.gz SPKGIEXBRQVYSD-QILLFSRXSA-N 0 3 291.435 3.884 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000156766573 261131645 /nfs/dbraw/zinc/13/16/45/261131645.db2.gz JAEXAPGNQBSFGC-GOEBONIOSA-N 0 3 289.419 3.925 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000156860676 261134253 /nfs/dbraw/zinc/13/42/53/261134253.db2.gz HUEHWDYXOZMNRD-HNNXBMFYSA-N 0 3 277.408 3.640 20 10 CHCDHN CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000163666873 261324715 /nfs/dbraw/zinc/32/47/15/261324715.db2.gz WUKVVCXBRNNFMT-KBXCAEBGSA-N 0 3 283.419 3.950 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000179565268 261797473 /nfs/dbraw/zinc/79/74/73/261797473.db2.gz BJPDKNSRZVQLPY-UHFFFAOYSA-N 0 3 283.371 3.510 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000179565268 261797475 /nfs/dbraw/zinc/79/74/75/261797475.db2.gz BJPDKNSRZVQLPY-UHFFFAOYSA-N 0 3 283.371 3.510 20 10 CHCDHN C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1[O-] ZINC000183627036 261982570 /nfs/dbraw/zinc/98/25/70/261982570.db2.gz RAOMHBXYKJKIHI-KBXCAEBGSA-N 0 3 297.398 3.557 20 10 CHCDHN CO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1[O-])c1ccccc1 ZINC000185101727 262041505 /nfs/dbraw/zinc/04/15/05/262041505.db2.gz KHZNLPPSRRRSCI-KBXCAEBGSA-N 0 3 285.387 3.739 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCCNc2ccccn2)c([O-])c1 ZINC000185325750 262050726 /nfs/dbraw/zinc/05/07/26/262050726.db2.gz BDOSLJYMSDUQBW-HNNXBMFYSA-N 0 3 299.418 3.639 20 10 CHCDHN COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185715134 262067947 /nfs/dbraw/zinc/06/79/47/262067947.db2.gz YZVXZIOPEFXREC-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN CSCCCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186775362 262109181 /nfs/dbraw/zinc/10/91/81/262109181.db2.gz DOSLVOFCKMMVIV-LLVKDONJSA-N 0 3 271.401 3.715 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2nccs2)c([O-])c1 ZINC000186743657 262322730 /nfs/dbraw/zinc/32/27/30/262322730.db2.gz ASYWDNLUZGAPPW-NEPJUHHUSA-N 0 3 276.405 3.611 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000280750779 263064174 /nfs/dbraw/zinc/06/41/74/263064174.db2.gz BQCZFLGKRNKCAS-RYUDHWBXSA-N 0 3 269.335 3.787 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000281226276 263067355 /nfs/dbraw/zinc/06/73/55/263067355.db2.gz VJKPEQXCRUXUHS-YPMHNXCESA-N 0 3 269.335 3.868 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CN(C)Cc3ccccc32)c1 ZINC000370372737 267313533 /nfs/dbraw/zinc/31/35/33/267313533.db2.gz CYTPNGANDHPGCV-KDOFPFPSSA-N 0 3 296.414 3.538 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000370372737 267313534 /nfs/dbraw/zinc/31/35/34/267313534.db2.gz CYTPNGANDHPGCV-KDOFPFPSSA-N 0 3 296.414 3.538 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccncc1 ZINC000185541566 327840341 /nfs/dbraw/zinc/84/03/41/327840341.db2.gz FRVODIXBXOMUFR-CZUORRHYSA-N 0 3 270.376 3.898 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000285134372 328247411 /nfs/dbraw/zinc/24/74/11/328247411.db2.gz LOFPBIHZDGZPAZ-CABCVRRESA-N 0 3 289.419 3.761 20 10 CHCDHN COCCC1CC[NH+]([C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000527932429 330297525 /nfs/dbraw/zinc/29/75/25/330297525.db2.gz CFXQZUURMUQGGU-HNNXBMFYSA-N 0 3 291.435 3.819 20 10 CHCDHN Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000527989349 330299128 /nfs/dbraw/zinc/29/91/28/330299128.db2.gz YBBAQZIGQAGBHX-QMTHXVAHSA-N 0 3 286.350 3.573 20 10 CHCDHN CCOc1cccc(C[NH2+]Cc2ccc(CC)s2)c1[O-] ZINC000227437598 333282888 /nfs/dbraw/zinc/28/28/88/333282888.db2.gz HLOIAJDDRLYGDO-UHFFFAOYSA-N 0 3 291.416 3.705 20 10 CHCDHN CCC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CCOCC1 ZINC000273576864 334767317 /nfs/dbraw/zinc/76/73/17/334767317.db2.gz LYVTVNMXZRYZJU-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN CCN(Cc1cccc(C)c1O)[C@H](C)c1cccnc1 ZINC000290519872 521341014 /nfs/dbraw/zinc/34/10/14/521341014.db2.gz PZWCNROIBMBHCC-CQSZACIVSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[N@H+](Cc1cccc(C)c1[O-])[C@H](C)c1cccnc1 ZINC000290519872 521341022 /nfs/dbraw/zinc/34/10/22/521341022.db2.gz PZWCNROIBMBHCC-CQSZACIVSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[N@@H+](Cc1cccc(C)c1[O-])[C@H](C)c1cccnc1 ZINC000290519872 521341030 /nfs/dbraw/zinc/34/10/30/521341030.db2.gz PZWCNROIBMBHCC-CQSZACIVSA-N 0 3 270.376 3.679 20 10 CHCDHN CCOC(C)(C)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280154095 521627605 /nfs/dbraw/zinc/62/76/05/521627605.db2.gz QIYGVOZDUHGIAP-AWEZNQCLSA-N 0 3 265.397 3.556 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000279999752 522570302 /nfs/dbraw/zinc/57/03/02/522570302.db2.gz FWHCILWAJXAJMX-HIFRSBDPSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+]CC1(SC)CCC1)c1ccccc1[O-] ZINC000193805251 522572870 /nfs/dbraw/zinc/57/28/70/522572870.db2.gz UTQYUQLBQDJKLN-ZDUSSCGKSA-N 0 3 265.422 3.719 20 10 CHCDHN CC[C@H]([NH2+]CC1(CCOC)CCC1)c1ccc(C)cc1[O-] ZINC000280186820 522574044 /nfs/dbraw/zinc/57/40/44/522574044.db2.gz RYKOQAHCZORFAE-INIZCTEOSA-N 0 3 291.435 3.948 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])c1ccc(OC)cc1 ZINC000071407647 522638457 /nfs/dbraw/zinc/63/84/57/522638457.db2.gz PUGVBYTZZLDFPR-KRWDZBQOSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])c1ccccc1 ZINC000051626381 522655801 /nfs/dbraw/zinc/65/58/01/522655801.db2.gz FAZSBRITBQAUNI-HNNXBMFYSA-N 0 3 271.360 3.642 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(C)cc1[O-] ZINC000279977639 522719188 /nfs/dbraw/zinc/71/91/88/522719188.db2.gz DIQNVQYNVFHRMH-UWWQBHOKSA-N 0 3 291.435 3.945 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(C)cc1[O-] ZINC000282516656 522754211 /nfs/dbraw/zinc/75/42/11/522754211.db2.gz UEANOCGTRONQQL-HOTGVXAUSA-N 0 3 299.418 3.552 20 10 CHCDHN CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1[O-] ZINC000037786259 522809462 /nfs/dbraw/zinc/80/94/62/522809462.db2.gz YFCJBFVHCCLLKQ-MRXNPFEDSA-N 0 3 290.451 3.696 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291020361 523387437 /nfs/dbraw/zinc/38/74/37/523387437.db2.gz AEULXXRTRFCQAW-OLZOCXBDSA-N 0 3 287.325 3.945 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291020361 523387447 /nfs/dbraw/zinc/38/74/47/523387447.db2.gz AEULXXRTRFCQAW-OLZOCXBDSA-N 0 3 287.325 3.945 20 10 CHCDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000289799635 523890232 /nfs/dbraw/zinc/89/02/32/523890232.db2.gz LYSYHVWGEXLREU-ZIAGYGMSSA-N 0 3 285.387 3.572 20 10 CHCDHN CSC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000278594540 525337999 /nfs/dbraw/zinc/33/79/99/525337999.db2.gz AGQGPDNZQAHYJV-GFCCVEGCSA-N 0 3 265.422 3.555 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000094826285 525444902 /nfs/dbraw/zinc/44/49/02/525444902.db2.gz VNMJSNGUPPZAMI-LBPRGKRZSA-N 0 3 290.357 3.882 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000093941542 525446601 /nfs/dbraw/zinc/44/66/01/525446601.db2.gz QNNCDBQDKHXCEL-HNNXBMFYSA-N 0 3 297.446 3.669 20 10 CHCDHN Cc1cncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000275936953 526191999 /nfs/dbraw/zinc/19/19/99/526191999.db2.gz BEQXYZRVTQQCSI-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN c1cc2c(s1)CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000061360211 526446668 /nfs/dbraw/zinc/44/66/68/526446668.db2.gz PQNHNZVWMMFUFX-OAHLLOKOSA-N 0 3 285.412 3.850 20 10 CHCDHN CCC1CCC([N@H+](C)Cc2cccc(OC)c2[O-])CC1 ZINC000133534357 1125469442 /nfs/dbraw/zinc/46/94/42/1125469442.db2.gz KXBKRYZPFPIZLM-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC1CCC([N@@H+](C)Cc2cccc(OC)c2[O-])CC1 ZINC000133534357 1125469445 /nfs/dbraw/zinc/46/94/45/1125469445.db2.gz KXBKRYZPFPIZLM-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c([O-])c1 ZINC000325009455 1117782611 /nfs/dbraw/zinc/78/26/11/1117782611.db2.gz CEFXDSTWFCIBTE-SJKOYZFVSA-N 0 3 259.393 3.930 20 10 CHCDHN COc1c(Cl)cccc1CNCc1ccc(C)cc1O ZINC000897479634 1125503036 /nfs/dbraw/zinc/50/30/36/1125503036.db2.gz GDMXYHPQFHANJE-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)CC2 ZINC000695117518 1120109028 /nfs/dbraw/zinc/10/90/28/1120109028.db2.gz ANERKMCNSUYCJC-NEPJUHHUSA-N 0 3 267.319 3.547 20 10 CHCDHN CSCC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775714791 1122922190 /nfs/dbraw/zinc/92/21/90/1122922190.db2.gz UBZFGUNUEZZASX-LLVKDONJSA-N 0 3 287.856 3.927 20 10 CHCDHN CSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775714791 1122922195 /nfs/dbraw/zinc/92/21/95/1122922195.db2.gz UBZFGUNUEZZASX-LLVKDONJSA-N 0 3 287.856 3.927 20 10 CHCDHN CC[C@@H]([NH2+]CCCCSC)c1ccc(C)cc1[O-] ZINC000794805567 1123953782 /nfs/dbraw/zinc/95/37/82/1123953782.db2.gz XGCDWUDGPHFLCV-CQSZACIVSA-N 0 3 267.438 3.885 20 10 CHCDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccns2)c(O)c1 ZINC000715966740 1132000592 /nfs/dbraw/zinc/00/05/92/1132000592.db2.gz OTINCXQRUSSSBO-QWRGUYRKSA-N 0 3 262.378 3.569 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])[C@@H](O)C(C)C ZINC000840880322 1132300166 /nfs/dbraw/zinc/30/01/66/1132300166.db2.gz BWQAIVBOFRPPNP-UXLLHSPISA-N 0 3 279.424 3.537 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000134228626 1125544091 /nfs/dbraw/zinc/54/40/91/1125544091.db2.gz SMRWXGFELDDZGH-UHFFFAOYSA-N 0 3 263.340 3.835 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)c1[O-] ZINC000717154695 1125615865 /nfs/dbraw/zinc/61/58/65/1125615865.db2.gz MEDABRMSTCUFKT-MISXGVKJSA-N 0 3 295.810 3.580 20 10 CHCDHN COC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000089668353 1125736593 /nfs/dbraw/zinc/73/65/93/1125736593.db2.gz WOCXOGIPIUHUPO-BEFAXECRSA-N 0 3 298.430 3.791 20 10 CHCDHN CCC[N@H+](Cc1ccc(COC)o1)Cc1ccccc1[O-] ZINC000092704951 1125761521 /nfs/dbraw/zinc/76/15/21/1125761521.db2.gz PXETWRXVHSDLRP-UHFFFAOYSA-N 0 3 289.375 3.544 20 10 CHCDHN CCC[N@@H+](Cc1ccc(COC)o1)Cc1ccccc1[O-] ZINC000092704951 1125761527 /nfs/dbraw/zinc/76/15/27/1125761527.db2.gz PXETWRXVHSDLRP-UHFFFAOYSA-N 0 3 289.375 3.544 20 10 CHCDHN CC1=C[C@H](C)C[C@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000811458073 1130610381 /nfs/dbraw/zinc/61/03/81/1130610381.db2.gz TXCROBIXTJNZCR-ZFWWWQNUSA-N 0 3 259.393 3.816 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccccc1[O-] ZINC000183316642 1126884473 /nfs/dbraw/zinc/88/44/73/1126884473.db2.gz RIZXEYJCSLORBM-OAHLLOKOSA-N 0 3 289.350 3.781 20 10 CHCDHN C[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1[O-] ZINC000183430342 1126886886 /nfs/dbraw/zinc/88/68/86/1126886886.db2.gz CDDYFHCRZNCQJQ-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000183439053 1126887175 /nfs/dbraw/zinc/88/71/75/1126887175.db2.gz DKTRWJLJMGWACI-HNNXBMFYSA-N 0 3 296.414 3.712 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1[O-] ZINC000183466110 1126887322 /nfs/dbraw/zinc/88/73/22/1126887322.db2.gz LDOXOMPBHXQCNG-BZNIZROVSA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@@H](O)C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000183559128 1126888767 /nfs/dbraw/zinc/88/87/67/1126888767.db2.gz PSNBDUGICUUBDD-VYDXJSESSA-N 0 3 299.414 3.598 20 10 CHCDHN C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000183559144 1126888956 /nfs/dbraw/zinc/88/89/56/1126888956.db2.gz PSNBDUGICUUBDD-YQQAZPJKSA-N 0 3 299.414 3.598 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000183621182 1126889256 /nfs/dbraw/zinc/88/92/56/1126889256.db2.gz FRKSHEDUNGVQRC-KGLIPLIRSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1[O-] ZINC000906594267 1126960857 /nfs/dbraw/zinc/96/08/57/1126960857.db2.gz CTSXMOLYWGBIOE-HFBAOOFYSA-N 0 3 271.335 3.738 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(O)c2)c1[O-] ZINC000195024261 1126977729 /nfs/dbraw/zinc/97/77/29/1126977729.db2.gz UCKIJBNJZQJFNQ-NSHDSACASA-N 0 3 291.778 3.910 20 10 CHCDHN CC[C@H](NCc1cn2cc(C)ccc2n1)c1ccccc1O ZINC000271691004 1127097053 /nfs/dbraw/zinc/09/70/53/1127097053.db2.gz KHMNEMDKFIPIAY-INIZCTEOSA-N 0 3 295.386 3.589 20 10 CHCDHN C[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237137095 1131056918 /nfs/dbraw/zinc/05/69/18/1131056918.db2.gz LPSYGZNMORMICB-SNVBAGLBSA-N 0 3 273.298 3.785 20 10 CHCDHN C[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237137095 1131056924 /nfs/dbraw/zinc/05/69/24/1131056924.db2.gz LPSYGZNMORMICB-SNVBAGLBSA-N 0 3 273.298 3.785 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001237484663 1131104495 /nfs/dbraw/zinc/10/44/95/1131104495.db2.gz GQKDVJUPCOOGHF-LBPRGKRZSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001237484663 1131104500 /nfs/dbraw/zinc/10/45/00/1131104500.db2.gz GQKDVJUPCOOGHF-LBPRGKRZSA-N 0 3 269.335 3.568 20 10 CHCDHN CCOC1CC(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284882226 1127210414 /nfs/dbraw/zinc/21/04/14/1127210414.db2.gz BKCUOEMNBRXRJV-FHERZECASA-N 0 3 291.435 3.865 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC23CC3)c1[O-] ZINC000818355368 1131210499 /nfs/dbraw/zinc/21/04/99/1131210499.db2.gz DORZBRTWZYHRAG-CABZTGNLSA-N 0 3 296.208 3.666 20 10 CHCDHN C[C@H](CCc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582795 1127411519 /nfs/dbraw/zinc/41/15/19/1127411519.db2.gz BMRVSBDBCGWWGL-CYBMUJFWSA-N 0 3 273.351 3.642 20 10 CHCDHN Cc1ccc(C[C@H](C)[NH2+]Cc2cc(F)ccc2[O-])s1 ZINC000226610768 1127412444 /nfs/dbraw/zinc/41/24/44/1127412444.db2.gz HFVODYCAPLRPRM-JTQLQIEISA-N 0 3 279.380 3.622 20 10 CHCDHN CC(C)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000226586418 1127412536 /nfs/dbraw/zinc/41/25/36/1127412536.db2.gz URFSEBSUWUJQMX-UHFFFAOYSA-N 0 3 273.351 3.945 20 10 CHCDHN CCCCOCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168733269 1127464222 /nfs/dbraw/zinc/46/42/22/1127464222.db2.gz DSCJKVDMJGSRAQ-AWEZNQCLSA-N 0 3 265.397 3.558 20 10 CHCDHN Fc1cccc2c1CC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000126927277 1127598754 /nfs/dbraw/zinc/59/87/54/1127598754.db2.gz DNAIQPAAGZXSTI-QGZVFWFLSA-N 0 3 283.346 3.538 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccccc1[O-] ZINC000362488596 1127639124 /nfs/dbraw/zinc/63/91/24/1127639124.db2.gz RVMJOJRSDLWNFO-HKUYNNGSSA-N 0 3 297.398 3.747 20 10 CHCDHN CC(C)Oc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296004052 1127660164 /nfs/dbraw/zinc/66/01/64/1127660164.db2.gz OLBCVSGYGDMGMF-KRWDZBQOSA-N 0 3 297.398 3.957 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(c3ccccc3)CC1)CC2 ZINC000297037384 1127688108 /nfs/dbraw/zinc/68/81/08/1127688108.db2.gz VCCSODSHBLVNAX-OAHLLOKOSA-N 0 3 265.356 3.658 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000297311833 1127693028 /nfs/dbraw/zinc/69/30/28/1127693028.db2.gz MXZNIKJCZRXNCR-NWDGAFQWSA-N 0 3 286.331 3.712 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3cc(F)ccc31)CC2 ZINC000297619724 1127701742 /nfs/dbraw/zinc/70/17/42/1127701742.db2.gz IWTMLCBPFSNJGZ-HZPDHXFCSA-N 0 3 283.346 3.796 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCOc3ccccc31)CC2 ZINC000297728169 1127705630 /nfs/dbraw/zinc/70/56/30/1127705630.db2.gz NMWDDQPQDXLONA-HZPDHXFCSA-N 0 3 295.382 3.883 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)C3CCC3)c2c1 ZINC000172963395 1127798253 /nfs/dbraw/zinc/79/82/53/1127798253.db2.gz JDODWRDWFVQUMI-UHFFFAOYSA-N 0 3 271.360 3.538 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)C3CCC3)c2c1 ZINC000172963395 1127798254 /nfs/dbraw/zinc/79/82/54/1127798254.db2.gz JDODWRDWFVQUMI-UHFFFAOYSA-N 0 3 271.360 3.538 20 10 CHCDHN Cc1cccc(CN[C@@H]2COc3c2cccc3Cl)c1O ZINC000373189930 1127827156 /nfs/dbraw/zinc/82/71/56/1127827156.db2.gz GUSZJLHQXUQEOB-CQSZACIVSA-N 0 3 289.762 3.577 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C2CCC2)c1[O-] ZINC000324994614 1127969628 /nfs/dbraw/zinc/96/96/28/1127969628.db2.gz XOSVKXXAEUJUBH-HNNXBMFYSA-N 0 3 295.810 3.723 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c([O-])c1 ZINC000926948933 1128205121 /nfs/dbraw/zinc/20/51/21/1128205121.db2.gz LKVDUERFKPMKAU-SDDRHHMPSA-N 0 3 287.325 3.858 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1cc(F)ccc1[O-] ZINC000927011919 1128207645 /nfs/dbraw/zinc/20/76/45/1128207645.db2.gz SGZDHWSSNYCBMO-JSGCOSHPSA-N 0 3 293.382 3.674 20 10 CHCDHN C[C@H](N[C@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000927063360 1128213177 /nfs/dbraw/zinc/21/31/77/1128213177.db2.gz WZXVEDDHPSITEE-KSSFIOAISA-N 0 3 295.430 3.876 20 10 CHCDHN C[C@@H](N[C@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000927063359 1128213265 /nfs/dbraw/zinc/21/32/65/1128213265.db2.gz WZXVEDDHPSITEE-KDOFPFPSSA-N 0 3 295.430 3.876 20 10 CHCDHN C[C@@H]1[N@H+](Cc2c([O-])ccc3ccccc32)CCOC1(C)C ZINC000763204488 1128375711 /nfs/dbraw/zinc/37/57/11/1128375711.db2.gz KPOVTLAWKUMORN-ZDUSSCGKSA-N 0 3 285.387 3.545 20 10 CHCDHN C[C@@H]1[N@@H+](Cc2c([O-])ccc3ccccc32)CCOC1(C)C ZINC000763204488 1128375714 /nfs/dbraw/zinc/37/57/14/1128375714.db2.gz KPOVTLAWKUMORN-ZDUSSCGKSA-N 0 3 285.387 3.545 20 10 CHCDHN Cc1ccc(C)c(C[N@@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC000763378321 1128427606 /nfs/dbraw/zinc/42/76/06/1128427606.db2.gz AECWWEVLMKHEFA-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1ccc(C)c(C[N@H+](C)Cc2cc(F)ccc2[O-])c1 ZINC000763378321 1128427607 /nfs/dbraw/zinc/42/76/07/1128427607.db2.gz AECWWEVLMKHEFA-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1[O-] ZINC000779008557 1128677195 /nfs/dbraw/zinc/67/71/95/1128677195.db2.gz RIEOPKAHLLHLJL-MIMYLULJSA-N 0 3 298.224 3.770 20 10 CHCDHN CCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C)c1[O-] ZINC001238063549 1117766467 /nfs/dbraw/zinc/76/64/67/1117766467.db2.gz YKZYKOUJZOEFAS-OAHLLOKOSA-N 0 3 265.372 3.994 20 10 CHCDHN CCC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C)c1[O-] ZINC001238063549 1117766470 /nfs/dbraw/zinc/76/64/70/1117766470.db2.gz YKZYKOUJZOEFAS-OAHLLOKOSA-N 0 3 265.372 3.994 20 10 CHCDHN CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])C1CCCC1 ZINC000692981379 1117958529 /nfs/dbraw/zinc/95/85/29/1117958529.db2.gz UWAGZFCHNLELHQ-CXAGYDPISA-N 0 3 277.408 3.556 20 10 CHCDHN COc1ccc([C@H](C)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000179770473 1128758263 /nfs/dbraw/zinc/75/82/63/1128758263.db2.gz HWDBFWQDGIXADM-CQSZACIVSA-N 0 3 285.387 3.636 20 10 CHCDHN COc1ccc([C@H](C)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000179770473 1128758264 /nfs/dbraw/zinc/75/82/64/1128758264.db2.gz HWDBFWQDGIXADM-CQSZACIVSA-N 0 3 285.387 3.636 20 10 CHCDHN CNc1ccc(C)cc1CNCc1ccc(N(C)C)cc1C ZINC000902245050 1118290435 /nfs/dbraw/zinc/29/04/35/1118290435.db2.gz NQIAXSNRLMGUJI-UHFFFAOYSA-N 0 3 297.446 3.701 20 10 CHCDHN Cc1c(F)cccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001204514115 1118334310 /nfs/dbraw/zinc/33/43/10/1118334310.db2.gz RKOKBKNQRILGBL-UHFFFAOYSA-N 0 3 286.394 3.832 20 10 CHCDHN CCC(CC)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N(C)C ZINC000083551807 1118356706 /nfs/dbraw/zinc/35/67/06/1118356706.db2.gz CXBKKVDQXSKUEC-HNNXBMFYSA-N 0 3 298.858 3.502 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)c2c1c(F)ccc2[O-] ZINC000834819166 1118572956 /nfs/dbraw/zinc/57/29/56/1118572956.db2.gz SZLJZAOYLOTSIG-WPRPVWTQSA-N 0 3 273.298 3.715 20 10 CHCDHN CCc1cccc(C[NH2+]C[C@@H]2CCCC23CC3)c1[O-] ZINC000706978890 1118588914 /nfs/dbraw/zinc/58/89/14/1118588914.db2.gz KVZBHSCSBZSJFH-HNNXBMFYSA-N 0 3 259.393 3.625 20 10 CHCDHN CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000834906436 1118623592 /nfs/dbraw/zinc/62/35/92/1118623592.db2.gz WTLASZNENKMOIV-ZBFHGGJFSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])[C@H]1CCCOC1 ZINC000723990759 1118797275 /nfs/dbraw/zinc/79/72/75/1118797275.db2.gz TYMHFOXNBRNMEA-DZKIICNBSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H](NCc1cnc(C)s1)c1ccc(N(C)C)cc1 ZINC000123704572 1119301423 /nfs/dbraw/zinc/30/14/23/1119301423.db2.gz RDTNNYAZHQVDCR-MRXNPFEDSA-N 0 3 289.448 3.758 20 10 CHCDHN CC[C@H]([NH2+]CCC1SCCS1)c1ccccc1[O-] ZINC000693778087 1119333451 /nfs/dbraw/zinc/33/34/51/1119333451.db2.gz VDWXPGGXPZNMNX-LBPRGKRZSA-N 0 3 283.462 3.629 20 10 CHCDHN Cc1ccncc1CNCc1ccc(N2CCCCC2)cc1 ZINC000318079309 1119478232 /nfs/dbraw/zinc/47/82/32/1119478232.db2.gz PSCIXVJKEUTFHY-UHFFFAOYSA-N 0 3 295.430 3.670 20 10 CHCDHN CC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725841702 1119766829 /nfs/dbraw/zinc/76/68/29/1119766829.db2.gz WHUBQGXLRGZUGF-CYBMUJFWSA-N 0 3 255.361 3.947 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000052336178 1119814749 /nfs/dbraw/zinc/81/47/49/1119814749.db2.gz BLOHYNZCGIXXNV-CQSZACIVSA-N 0 3 291.391 3.569 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccnn1C1CCC1 ZINC000924573915 1119908652 /nfs/dbraw/zinc/90/86/52/1119908652.db2.gz LHGDDTOYWBRXDV-AWEZNQCLSA-N 0 3 298.434 3.525 20 10 CHCDHN CC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000309409032 1119993892 /nfs/dbraw/zinc/99/38/92/1119993892.db2.gz BKIJVLIYXKGCHA-UWVGGRQHSA-N 0 3 286.213 3.912 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCC2)c1[O-] ZINC000309466040 1120062655 /nfs/dbraw/zinc/06/26/55/1120062655.db2.gz PXDFRMIZDGLEKO-VIFPVBQESA-N 0 3 284.197 3.666 20 10 CHCDHN CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1ccccc1O)CCC2 ZINC000765817431 1120063110 /nfs/dbraw/zinc/06/31/10/1120063110.db2.gz LIDYMJYNTBQFKJ-CZUORRHYSA-N 0 3 299.418 3.898 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC3CCC2CC3)c([O-])c1 ZINC000311858330 1120113253 /nfs/dbraw/zinc/11/32/53/1120113253.db2.gz JZWCFEQPSUPJAP-WLIAPVHPSA-N 0 3 259.393 3.930 20 10 CHCDHN CCCCOCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756340250 1120231598 /nfs/dbraw/zinc/23/15/98/1120231598.db2.gz IPHMIDSTKGFPSK-GXTWGEPZSA-N 0 3 295.398 3.876 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000179555524 1120249368 /nfs/dbraw/zinc/24/93/68/1120249368.db2.gz ZWDGHTKOZJJLNT-UHFFFAOYSA-N 0 3 267.372 3.772 20 10 CHCDHN COc1cccc(CCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000179875733 1120256315 /nfs/dbraw/zinc/25/63/15/1120256315.db2.gz GFUHOAWIPYLHTA-AWEZNQCLSA-N 0 3 285.387 3.684 20 10 CHCDHN CC(C)=CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000309354585 1120281727 /nfs/dbraw/zinc/28/17/27/1120281727.db2.gz NOCBBWWFVCNJEW-UHFFFAOYSA-N 0 3 284.197 3.519 20 10 CHCDHN CCC[N@H+](Cc1sc(C)nc1C)Cc1ccccc1[O-] ZINC000172772878 1120284638 /nfs/dbraw/zinc/28/46/38/1120284638.db2.gz YVJIDYPLMANGSG-UHFFFAOYSA-N 0 3 290.432 3.878 20 10 CHCDHN CCC[N@@H+](Cc1sc(C)nc1C)Cc1ccccc1[O-] ZINC000172772878 1120284643 /nfs/dbraw/zinc/28/46/43/1120284643.db2.gz YVJIDYPLMANGSG-UHFFFAOYSA-N 0 3 290.432 3.878 20 10 CHCDHN CSCCCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000312099990 1120294883 /nfs/dbraw/zinc/29/48/83/1120294883.db2.gz UBDFUPNESYLWLK-CQSZACIVSA-N 0 3 279.449 3.893 20 10 CHCDHN C[C@@H](NCc1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000922013844 1120333172 /nfs/dbraw/zinc/33/31/72/1120333172.db2.gz COKGBRNKYSZVKM-CQSZACIVSA-N 0 3 298.434 3.525 20 10 CHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N(C)c1ccccc1 ZINC000183419240 1120341225 /nfs/dbraw/zinc/34/12/25/1120341225.db2.gz DOZBMEWVSPJCRK-HUUCEWRRSA-N 0 3 284.403 3.568 20 10 CHCDHN CCCC[N@H+](Cc1cncc(F)c1)Cc1ccccc1[O-] ZINC000282326502 1120353450 /nfs/dbraw/zinc/35/34/50/1120353450.db2.gz ANZZWTSSLJDSIM-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN CCCC[N@@H+](Cc1cncc(F)c1)Cc1ccccc1[O-] ZINC000282326502 1120353455 /nfs/dbraw/zinc/35/34/55/1120353455.db2.gz ANZZWTSSLJDSIM-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1c(C)noc1C)c1ccccc1[O-] ZINC000092327882 1120356837 /nfs/dbraw/zinc/35/68/37/1120356837.db2.gz MXXMWIQLBNGNBV-QMTHXVAHSA-N 0 3 274.364 3.799 20 10 CHCDHN CCO[C@H](CC[NH2+][C@H](C)c1cc(F)ccc1[O-])C(C)C ZINC000185625842 1120380731 /nfs/dbraw/zinc/38/07/31/1120380731.db2.gz VAZNXVKRZLNBOH-MLGOLLRUSA-N 0 3 283.387 3.633 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1[O-] ZINC000922328645 1120514057 /nfs/dbraw/zinc/51/40/57/1120514057.db2.gz GRGJYJXEQIIEHO-CHWSQXEVSA-N 0 3 283.371 3.566 20 10 CHCDHN C[C@H]([NH2+]Cc1cn(C)nc1C1CCCC1)c1ccccc1[O-] ZINC000922329193 1120514410 /nfs/dbraw/zinc/51/44/10/1120514410.db2.gz LOXNHNLUDZFOKU-ZDUSSCGKSA-N 0 3 299.418 3.634 20 10 CHCDHN CC(C)c1ccc(CN2CC[C@@H](C)[C@H](F)C2)c(O)c1 ZINC001237045316 1128952648 /nfs/dbraw/zinc/95/26/48/1128952648.db2.gz ITHQGSSJNZMEDU-IUODEOHRSA-N 0 3 265.372 3.696 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000763517891 1128960720 /nfs/dbraw/zinc/96/07/20/1128960720.db2.gz JUBRULBOYPIDJX-JEBQAFNWSA-N 0 3 297.398 3.683 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000094617598 1121215474 /nfs/dbraw/zinc/21/54/74/1121215474.db2.gz CZAAHWQWQZEBMV-DGCLKSJQSA-N 0 3 271.335 3.522 20 10 CHCDHN Cc1ccc(CCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001175418768 1121317356 /nfs/dbraw/zinc/31/73/56/1121317356.db2.gz NWOVLZDUWSAGAK-OAHLLOKOSA-N 0 3 269.388 3.984 20 10 CHCDHN CCN(C)c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000773757509 1121799889 /nfs/dbraw/zinc/79/98/89/1121799889.db2.gz ZQVWXZJHJCCZHR-LJQANCHMSA-N 0 3 295.430 3.875 20 10 CHCDHN COc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1C ZINC001179536824 1121884668 /nfs/dbraw/zinc/88/46/68/1121884668.db2.gz ACKAVUCHQXMEDT-CQSZACIVSA-N 0 3 297.398 3.617 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CC1CCCC1)C[C@@H]1CCCO1 ZINC000732203446 1121912146 /nfs/dbraw/zinc/91/21/46/1121912146.db2.gz VANJDGUKSZRQQM-KRWDZBQOSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CC1CCCC1)C[C@@H]1CCCO1 ZINC000732203446 1121912152 /nfs/dbraw/zinc/91/21/52/1121912152.db2.gz VANJDGUKSZRQQM-KRWDZBQOSA-N 0 3 289.419 3.563 20 10 CHCDHN CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732820616 1121940707 /nfs/dbraw/zinc/94/07/07/1121940707.db2.gz NDLZZIIQMBQPGJ-AUUYWEPGSA-N 0 3 299.414 3.556 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000733325033 1121976455 /nfs/dbraw/zinc/97/64/55/1121976455.db2.gz SUDMBULWKYJXMY-SWLSCSKDSA-N 0 3 271.360 3.707 20 10 CHCDHN C[C@@H](N[C@@H](C)c1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000271700417 1122171709 /nfs/dbraw/zinc/17/17/09/1122171709.db2.gz TZFIFKJABZNANC-NEPJUHHUSA-N 0 3 286.331 3.712 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000271700417 1122171712 /nfs/dbraw/zinc/17/17/12/1122171712.db2.gz TZFIFKJABZNANC-NEPJUHHUSA-N 0 3 286.331 3.712 20 10 CHCDHN COCC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(C)o1 ZINC000272812080 1122213787 /nfs/dbraw/zinc/21/37/87/1122213787.db2.gz DGYZMDKKFMGFAW-ZFWWWQNUSA-N 0 3 289.375 3.722 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)c([O-])c1 ZINC000273347157 1122228906 /nfs/dbraw/zinc/22/89/06/1122228906.db2.gz AZWJHQLDCYWWAX-GJZGRUSLSA-N 0 3 291.435 3.540 20 10 CHCDHN COc1cc(Cl)cc(CN(C)Cc2cccs2)c1O ZINC000273715847 1122245598 /nfs/dbraw/zinc/24/55/98/1122245598.db2.gz HENNZWFNNHTCBW-UHFFFAOYSA-N 0 3 297.807 3.748 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1[O-] ZINC000183322012 1129044943 /nfs/dbraw/zinc/04/49/43/1129044943.db2.gz HWQSOBIPDJTDBR-INIZCTEOSA-N 0 3 284.334 3.644 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1[O-] ZINC000775134967 1122437481 /nfs/dbraw/zinc/43/74/81/1122437481.db2.gz AOTAINRWJVEADA-BZNIZROVSA-N 0 3 271.335 3.869 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1cccc(F)c1 ZINC000183534220 1129060907 /nfs/dbraw/zinc/06/09/07/1129060907.db2.gz LWTQICHZPWXJGK-STQMWFEESA-N 0 3 289.350 3.649 20 10 CHCDHN C[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1[O-] ZINC000183541842 1129062115 /nfs/dbraw/zinc/06/21/15/1129062115.db2.gz LAMXQBJHIFMULZ-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000775486517 1122616113 /nfs/dbraw/zinc/61/61/13/1122616113.db2.gz COAMLESNKKFORQ-UXLLHSPISA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(OC)cc1C)c1ccccc1[O-] ZINC000775522451 1122639274 /nfs/dbraw/zinc/63/92/74/1122639274.db2.gz PSBNUMCNEJEHTR-KRWDZBQOSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@@H](N[C@@H](C)c1nc(C)cs1)c1ccccc1O ZINC000080274513 1129079733 /nfs/dbraw/zinc/07/97/33/1129079733.db2.gz KQAWFOGNMUGMMF-WCQYABFASA-N 0 3 276.405 3.959 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)Cc2ccccc2)c1[O-] ZINC000775634713 1122840426 /nfs/dbraw/zinc/84/04/26/1122840426.db2.gz VLBMQKSHXXNODN-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2)c1[O-] ZINC000775634713 1122840434 /nfs/dbraw/zinc/84/04/34/1122840434.db2.gz VLBMQKSHXXNODN-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)C2CCCC2)c1[O-] ZINC000775644256 1122851820 /nfs/dbraw/zinc/85/18/20/1122851820.db2.gz CFDRWPRFJCFNEG-UHFFFAOYSA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)C2CCCC2)c1[O-] ZINC000775644256 1122851825 /nfs/dbraw/zinc/85/18/25/1122851825.db2.gz CFDRWPRFJCFNEG-UHFFFAOYSA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000775692925 1122911175 /nfs/dbraw/zinc/91/11/75/1122911175.db2.gz QPGGGFXDRIJAPZ-GFCCVEGCSA-N 0 3 291.778 3.937 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000775692925 1122911176 /nfs/dbraw/zinc/91/11/76/1122911176.db2.gz QPGGGFXDRIJAPZ-GFCCVEGCSA-N 0 3 291.778 3.937 20 10 CHCDHN Cc1cccc(CN2CCc3cccc(F)c3[C@H]2C)c1O ZINC000775700263 1122912405 /nfs/dbraw/zinc/91/24/05/1122912405.db2.gz LYDOXGQIHSVYJJ-CYBMUJFWSA-N 0 3 285.362 3.959 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000775737056 1122929073 /nfs/dbraw/zinc/92/90/73/1122929073.db2.gz NXWGJKWGEHFONA-ONGXEEELSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000775737056 1122929076 /nfs/dbraw/zinc/92/90/76/1122929076.db2.gz NXWGJKWGEHFONA-ONGXEEELSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)C2CC2)c1[O-] ZINC000776176696 1123102570 /nfs/dbraw/zinc/10/25/70/1123102570.db2.gz CUNNWWNRICSORJ-UHFFFAOYSA-N 0 3 298.224 3.741 20 10 CHCDHN CCCC[C@H](CC)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201568285 1123125645 /nfs/dbraw/zinc/12/56/45/1123125645.db2.gz QHGSNDCNOZANSS-AWEZNQCLSA-N 0 3 261.409 3.967 20 10 CHCDHN CCCC[C@H](CC)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001201568285 1123125647 /nfs/dbraw/zinc/12/56/47/1123125647.db2.gz QHGSNDCNOZANSS-AWEZNQCLSA-N 0 3 261.409 3.967 20 10 CHCDHN CC[N@H+](CCCC(F)(F)F)Cc1ccccc1[O-] ZINC001202433332 1123211614 /nfs/dbraw/zinc/21/16/14/1123211614.db2.gz MWLDYOWLQUABIS-UHFFFAOYSA-N 0 3 261.287 3.557 20 10 CHCDHN CC[N@@H+](CCCC(F)(F)F)Cc1ccccc1[O-] ZINC001202433332 1123211618 /nfs/dbraw/zinc/21/16/18/1123211618.db2.gz MWLDYOWLQUABIS-UHFFFAOYSA-N 0 3 261.287 3.557 20 10 CHCDHN C[C@@H](NCc1cc(F)ccc1F)c1ccccc1O ZINC000107929117 1123229482 /nfs/dbraw/zinc/22/94/82/1123229482.db2.gz AMTYWVBFIRTXGL-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN Cc1cc(F)ccc1C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000850350395 1123254912 /nfs/dbraw/zinc/25/49/12/1123254912.db2.gz RQMCBCFBBIKLJV-CYBMUJFWSA-N 0 3 273.351 3.561 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1ccc(C)cc1[O-] ZINC000850481640 1123273600 /nfs/dbraw/zinc/27/36/00/1123273600.db2.gz IHMFWOAETPCYHH-GDBMZVCRSA-N 0 3 284.403 3.940 20 10 CHCDHN CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000850492288 1123273966 /nfs/dbraw/zinc/27/39/66/1123273966.db2.gz CRFGHLNVFOZGOG-UKRRQHHQSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)c2c1c(F)ccc2[O-] ZINC000850536499 1123287072 /nfs/dbraw/zinc/28/70/72/1123287072.db2.gz KQRKDTWTGOFUOB-PWZJLYFZSA-N 0 3 285.309 3.715 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)c2c1c(F)ccc2[O-] ZINC000850535690 1123287368 /nfs/dbraw/zinc/28/73/68/1123287368.db2.gz ZHMZGIAWAPVMPB-HKUMRIAESA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(N(C)C)cc1 ZINC000850543398 1123289010 /nfs/dbraw/zinc/28/90/10/1123289010.db2.gz IXIMFLDBEWRTPX-DJJJIMSYSA-N 0 3 296.414 3.796 20 10 CHCDHN CC[C@@H]([NH2+]CC1SCCS1)c1ccc(C)cc1[O-] ZINC000850559992 1123291872 /nfs/dbraw/zinc/29/18/72/1123291872.db2.gz HUCVBTZZDBLEBR-GFCCVEGCSA-N 0 3 283.462 3.547 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(C)cc1[O-] ZINC000850570394 1123294520 /nfs/dbraw/zinc/29/45/20/1123294520.db2.gz GWAPYVALFBJQGD-DZGCQCFKSA-N 0 3 277.408 3.556 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCC1CCC1)C[C@H]1CCCO1 ZINC000851840912 1123384300 /nfs/dbraw/zinc/38/43/00/1123384300.db2.gz LQZUKPWUXLUDBG-QGZVFWFLSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCC1CCC1)C[C@H]1CCCO1 ZINC000851840912 1123384302 /nfs/dbraw/zinc/38/43/02/1123384302.db2.gz LQZUKPWUXLUDBG-QGZVFWFLSA-N 0 3 289.419 3.563 20 10 CHCDHN CCCCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783509873 1123400967 /nfs/dbraw/zinc/40/09/67/1123400967.db2.gz VHMLXFCEYFXTER-HOTGVXAUSA-N 0 3 290.451 3.697 20 10 CHCDHN CCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCOCC1 ZINC000273559427 1129126716 /nfs/dbraw/zinc/12/67/16/1129126716.db2.gz HRGUTXCIQMGDKO-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(N)c1)c1ccc(C)cc1[O-] ZINC000854217281 1123477893 /nfs/dbraw/zinc/47/78/93/1123477893.db2.gz JSLRKULRMODQSU-MRXNPFEDSA-N 0 3 270.376 3.524 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(N)c2)c1[O-] ZINC000854216048 1123477905 /nfs/dbraw/zinc/47/79/05/1123477905.db2.gz SJOKWFCYSRCDTG-NSHDSACASA-N 0 3 290.794 3.787 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000895546039 1123491389 /nfs/dbraw/zinc/49/13/89/1123491389.db2.gz XQEWVSLURJNMEY-LBPRGKRZSA-N 0 3 269.335 3.616 20 10 CHCDHN CCCSC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000895852375 1123522356 /nfs/dbraw/zinc/52/23/56/1123522356.db2.gz ULPLQFVTEOAOOR-NEPJUHHUSA-N 0 3 253.411 3.575 20 10 CHCDHN CCCSC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000895852378 1123522431 /nfs/dbraw/zinc/52/24/31/1123522431.db2.gz ULPLQFVTEOAOOR-VXGBXAGGSA-N 0 3 253.411 3.575 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1ccns1 ZINC000858576475 1123664918 /nfs/dbraw/zinc/66/49/18/1123664918.db2.gz KXHPPLUUAYRLAX-FXPVBKGRSA-N 0 3 292.379 3.887 20 10 CHCDHN C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000840772480 1123789979 /nfs/dbraw/zinc/78/99/79/1123789979.db2.gz UPZJMJBJUGXCCH-CABCVRRESA-N 0 3 284.403 3.849 20 10 CHCDHN C/C=C/C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862550494 1123818977 /nfs/dbraw/zinc/81/89/77/1123818977.db2.gz MEJJDQYZMZVETL-XGACYXMMSA-N 0 3 275.392 3.579 20 10 CHCDHN C/C=C/C[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862550494 1123818982 /nfs/dbraw/zinc/81/89/82/1123818982.db2.gz MEJJDQYZMZVETL-XGACYXMMSA-N 0 3 275.392 3.579 20 10 CHCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC000193023713 1123869605 /nfs/dbraw/zinc/86/96/05/1123869605.db2.gz BAWKSUMSVTWOOY-OAHLLOKOSA-N 0 3 296.414 3.843 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1ccc(C)cc1[O-] ZINC000794798557 1123949760 /nfs/dbraw/zinc/94/97/60/1123949760.db2.gz WFRPMZBNQDXAGW-RDJZCZTQSA-N 0 3 292.467 3.718 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1ccc(C)cc1[O-] ZINC000794798558 1123949767 /nfs/dbraw/zinc/94/97/67/1123949767.db2.gz WFRPMZBNQDXAGW-WBVHZDCISA-N 0 3 292.467 3.718 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1ccc(C)cc1[O-] ZINC000794799973 1123950316 /nfs/dbraw/zinc/95/03/16/1123950316.db2.gz ASYDBTZTPCUUHI-RHSMWYFYSA-N 0 3 284.403 3.768 20 10 CHCDHN CC[C@@H]([NH2+]CCOCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794799862 1123950907 /nfs/dbraw/zinc/95/09/07/1123950907.db2.gz AAJYIWILJWIKRS-GOSISDBHSA-N 0 3 299.414 3.958 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(C)cc1[O-] ZINC000794793525 1123950995 /nfs/dbraw/zinc/95/09/95/1123950995.db2.gz OWPGJYWEWYFRHD-RDJZCZTQSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@H]([NH2+]CCc1c(C)noc1C)c1ccc(C)cc1[O-] ZINC000794811192 1123956455 /nfs/dbraw/zinc/95/64/55/1123956455.db2.gz VQVLVJFQFDAMHF-INIZCTEOSA-N 0 3 288.391 3.589 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000794818128 1123960759 /nfs/dbraw/zinc/96/07/59/1123960759.db2.gz QIKPQIFIZLRKFO-LZWOXQAQSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)c2c1c(F)ccc2[O-] ZINC000794828433 1123962491 /nfs/dbraw/zinc/96/24/91/1123962491.db2.gz OVYWKURKSBESLO-CMPLNLGQSA-N 0 3 263.356 3.859 20 10 CHCDHN COC1(C[NH2+][C@H](C)c2ccccc2[O-])CCC(C)CC1 ZINC000794837668 1123981728 /nfs/dbraw/zinc/98/17/28/1123981728.db2.gz YPZGUKFWZVBXGB-XOYHFGRZSA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccc(C(C)(C)C)o2)c1 ZINC000865815021 1124016298 /nfs/dbraw/zinc/01/62/98/1124016298.db2.gz RXTLBKSZKILUPU-UHFFFAOYSA-N 0 3 273.376 3.881 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000865835153 1124019527 /nfs/dbraw/zinc/01/95/27/1124019527.db2.gz ZULJBXMVUUNWLB-GOSISDBHSA-N 0 3 296.414 3.678 20 10 CHCDHN CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000840961471 1124044357 /nfs/dbraw/zinc/04/43/57/1124044357.db2.gz WPUFTIMJWWWQBD-MEDUHNTESA-N 0 3 297.826 3.647 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCSC2)c([O-])c1 ZINC000866404902 1124063831 /nfs/dbraw/zinc/06/38/31/1124063831.db2.gz XHAFYJREEBLEAF-ZIAGYGMSSA-N 0 3 279.449 3.803 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2cccc(F)c2F)c1 ZINC000866476499 1124070206 /nfs/dbraw/zinc/07/02/06/1124070206.db2.gz OCABQTSFRZETOK-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccccc1[O-] ZINC000866478986 1124070896 /nfs/dbraw/zinc/07/08/96/1124070896.db2.gz NRMUEPMIPMEFGF-SFHVURJKSA-N 0 3 297.398 3.706 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000866511179 1124076191 /nfs/dbraw/zinc/07/61/91/1124076191.db2.gz BHJJYLGSFSQFAR-JCKWVBRZSA-N 0 3 289.419 3.556 20 10 CHCDHN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1cc(F)ccc1[O-] ZINC000866622540 1124091293 /nfs/dbraw/zinc/09/12/93/1124091293.db2.gz GEWGYLKUBMUYKH-LRDDRELGSA-N 0 3 293.382 3.674 20 10 CHCDHN CC[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccccc1[O-] ZINC000087088998 1129173397 /nfs/dbraw/zinc/17/33/97/1129173397.db2.gz VTSLWBWJDOWKDP-OAHLLOKOSA-N 0 3 277.408 3.518 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCCC(F)F)c2c1c(F)ccc2[O-] ZINC001119607226 1131260152 /nfs/dbraw/zinc/26/01/52/1131260152.db2.gz ZDOJKWLARDQFGJ-SCZZXKLOSA-N 0 3 273.298 3.715 20 10 CHCDHN COc1ccccc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000122705337 1124525250 /nfs/dbraw/zinc/52/52/50/1124525250.db2.gz ZXROWPYFJSWJHG-OAHLLOKOSA-N 0 3 298.430 3.920 20 10 CHCDHN CC[C@H]([NH2+]CCC(C)(C)COC)c1ccc(C)cc1[O-] ZINC000872104596 1124682644 /nfs/dbraw/zinc/68/26/44/1124682644.db2.gz KEDSIJGQVDJSJE-HNNXBMFYSA-N 0 3 279.424 3.804 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(C)cc1[O-] ZINC000872105731 1124683839 /nfs/dbraw/zinc/68/38/39/1124683839.db2.gz BDIDVTHRKCDQOE-YQYZPQCESA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@@H]([NH2+]CC1(OC(C)C)CCC1)c1ccccc1[O-] ZINC000872116560 1124687616 /nfs/dbraw/zinc/68/76/16/1124687616.db2.gz SHKBNHHAHZRCCT-OAHLLOKOSA-N 0 3 277.408 3.781 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000872133525 1124693092 /nfs/dbraw/zinc/69/30/92/1124693092.db2.gz QOEUUTXYIRUSSI-SCTDSRPQSA-N 0 3 299.414 3.945 20 10 CHCDHN CCCOc1ccc(CNCc2scnc2C)cc1C ZINC000873047360 1124734213 /nfs/dbraw/zinc/73/42/13/1124734213.db2.gz XZSWMHVLCGYTDK-UHFFFAOYSA-N 0 3 290.432 3.839 20 10 CHCDHN CCN(CC)[C@@H](C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000020826559 1124878996 /nfs/dbraw/zinc/87/89/96/1124878996.db2.gz JJWZZUMFIBUMCS-SFHVURJKSA-N 0 3 298.430 3.565 20 10 CHCDHN CCc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])s1 ZINC000876931647 1124991966 /nfs/dbraw/zinc/99/19/66/1124991966.db2.gz QPKKTFFJOWCPAT-UHFFFAOYSA-N 0 3 261.390 3.614 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)c([O-])c1 ZINC000877475889 1125030535 /nfs/dbraw/zinc/03/05/35/1125030535.db2.gz PRCGWYWDHCGCJW-LLVKDONJSA-N 0 3 275.314 3.911 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C1CCC(OC(C)(C)C)CC1 ZINC000877682016 1125062683 /nfs/dbraw/zinc/06/26/83/1125062683.db2.gz FCQJKJGCBBHUOE-UHFFFAOYSA-N 0 3 291.435 3.917 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCCCOc1ccccc1)C2 ZINC000877702972 1125067101 /nfs/dbraw/zinc/06/71/01/1125067101.db2.gz MSDAYGMAZZENMQ-UHFFFAOYSA-N 0 3 283.371 3.567 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCCCOc1ccccc1)C2 ZINC000877702972 1125067108 /nfs/dbraw/zinc/06/71/08/1125067108.db2.gz MSDAYGMAZZENMQ-UHFFFAOYSA-N 0 3 283.371 3.567 20 10 CHCDHN CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CS1 ZINC000877755647 1125071445 /nfs/dbraw/zinc/07/14/45/1125071445.db2.gz JRPUOBGIXFNZLH-JMSVASOKSA-N 0 3 265.422 3.573 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000877755962 1125073036 /nfs/dbraw/zinc/07/30/36/1125073036.db2.gz UZNROBYAGBDRSP-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN CSC(C)(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755998 1125073128 /nfs/dbraw/zinc/07/31/28/1125073128.db2.gz XVTGEGHQFRGJLF-LLVKDONJSA-N 0 3 253.411 3.575 20 10 CHCDHN CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758245 1125073988 /nfs/dbraw/zinc/07/39/88/1125073988.db2.gz PBHIDNUGCHXHRW-PMUMKWKESA-N 0 3 285.387 3.819 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000877756886 1125074033 /nfs/dbraw/zinc/07/40/33/1125074033.db2.gz BVOAYNYNDAAAAI-IOASZLSFSA-N 0 3 277.408 3.637 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc2c1CCC2)c1ccccc1[O-] ZINC000877758404 1125074989 /nfs/dbraw/zinc/07/49/89/1125074989.db2.gz YKEDDOVRXKLTJT-ZDUSSCGKSA-N 0 3 267.372 3.732 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cc(F)ccc1[O-] ZINC000127655567 1125208061 /nfs/dbraw/zinc/20/80/61/1125208061.db2.gz ZPWIZBWHDQRWIK-GFCCVEGCSA-N 0 3 296.345 3.930 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000129498859 1125340328 /nfs/dbraw/zinc/34/03/28/1125340328.db2.gz PFMXWCDZEQHDOV-UHFFFAOYSA-N 0 3 259.393 3.985 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)CC2 ZINC000883274705 1125390410 /nfs/dbraw/zinc/39/04/10/1125390410.db2.gz RYQUPEPIWQVJBW-STQMWFEESA-N 0 3 281.346 3.795 20 10 CHCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H](c2ccco2)C1 ZINC000245611762 1129213565 /nfs/dbraw/zinc/21/35/65/1129213565.db2.gz OCOGKZNCGYAXLV-DZGCQCFKSA-N 0 3 271.360 3.958 20 10 CHCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H](c2ccco2)C1 ZINC000245611762 1129213568 /nfs/dbraw/zinc/21/35/68/1129213568.db2.gz OCOGKZNCGYAXLV-DZGCQCFKSA-N 0 3 271.360 3.958 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCc3occc31)CC2 ZINC000295901236 1129219399 /nfs/dbraw/zinc/21/93/99/1129219399.db2.gz IRFGTYZUKNYTPM-KGLIPLIRSA-N 0 3 269.344 3.640 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccccc2F)c1 ZINC000037764022 1129266655 /nfs/dbraw/zinc/26/66/55/1129266655.db2.gz AAZYFEFHCYGLKS-RYUDHWBXSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1cc(N(C)C)ccc1CNc1ccnc2ccccc21 ZINC000734482430 1129309661 /nfs/dbraw/zinc/30/96/61/1129309661.db2.gz FOBAPBHTCNXRCX-UHFFFAOYSA-N 0 3 291.398 3.643 20 10 CHCDHN CCOc1cccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000092009595 1129377665 /nfs/dbraw/zinc/37/76/65/1129377665.db2.gz ZVIBAUIOOYTHHA-LBPRGKRZSA-N 0 3 275.392 3.554 20 10 CHCDHN CCOc1cccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000092009595 1129377668 /nfs/dbraw/zinc/37/76/68/1129377668.db2.gz ZVIBAUIOOYTHHA-LBPRGKRZSA-N 0 3 275.392 3.554 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1[O-] ZINC000092780976 1129407404 /nfs/dbraw/zinc/40/74/04/1129407404.db2.gz BXOMGDPRVFVJSN-OAHLLOKOSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2C2CCC2)c1[O-] ZINC000092780976 1129407406 /nfs/dbraw/zinc/40/74/06/1129407406.db2.gz BXOMGDPRVFVJSN-OAHLLOKOSA-N 0 3 275.392 3.555 20 10 CHCDHN CC[C@@H](C)[C@H](C)[N@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000093132211 1129417779 /nfs/dbraw/zinc/41/77/79/1129417779.db2.gz DDCVSRMFIRZMLL-OLZOCXBDSA-N 0 3 277.408 3.800 20 10 CHCDHN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000093132211 1129417780 /nfs/dbraw/zinc/41/77/80/1129417780.db2.gz DDCVSRMFIRZMLL-OLZOCXBDSA-N 0 3 277.408 3.800 20 10 CHCDHN CCS[C@H]1CCCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093361816 1129422344 /nfs/dbraw/zinc/42/23/44/1129422344.db2.gz LUODKQAPHZCJHR-AWEZNQCLSA-N 0 3 295.448 3.508 20 10 CHCDHN CCS[C@H]1CCCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093361816 1129422345 /nfs/dbraw/zinc/42/23/45/1129422345.db2.gz LUODKQAPHZCJHR-AWEZNQCLSA-N 0 3 295.448 3.508 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000248573976 1129422788 /nfs/dbraw/zinc/42/27/88/1129422788.db2.gz SJCJUEHJOQADMP-SCTDSRPQSA-N 0 3 297.398 3.963 20 10 CHCDHN C[C@H]([NH2+]CCCOC1CCCCC1)c1cc(F)ccc1[O-] ZINC000094616977 1129448328 /nfs/dbraw/zinc/44/83/28/1129448328.db2.gz GHXRTHDGNKLDEJ-ZDUSSCGKSA-N 0 3 295.398 3.921 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(F)ccc1[O-] ZINC000094617595 1129448455 /nfs/dbraw/zinc/44/84/55/1129448455.db2.gz CZAAHWQWQZEBMV-AAEUAGOBSA-N 0 3 271.335 3.522 20 10 CHCDHN Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000094949939 1129456517 /nfs/dbraw/zinc/45/65/17/1129456517.db2.gz JOPLCTUFYJASCU-CYBMUJFWSA-N 0 3 273.351 3.733 20 10 CHCDHN CSC1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000720559031 1129657289 /nfs/dbraw/zinc/65/72/89/1129657289.db2.gz UPGVWHQZMXGKHV-PESDSKBTSA-N 0 3 291.460 3.891 20 10 CHCDHN CC(=O)c1cc(Cl)cc(CN2CCC(C)=C(C)C2)c1O ZINC000796589807 1129795573 /nfs/dbraw/zinc/79/55/73/1129795573.db2.gz MDLIGHCZMXLQFE-UHFFFAOYSA-N 0 3 293.794 3.790 20 10 CHCDHN CCOc1ccc(O)c(CN(Cc2ccco2)C(C)C)c1 ZINC000768250807 1129846826 /nfs/dbraw/zinc/84/68/26/1129846826.db2.gz WRZGTFSBXKXBEQ-UHFFFAOYSA-N 0 3 289.375 3.795 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1[O-] ZINC000768319339 1129851236 /nfs/dbraw/zinc/85/12/36/1129851236.db2.gz MXDGGVJFPVXAIZ-MRXNPFEDSA-N 0 3 289.419 3.946 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1[O-] ZINC000768319339 1129851240 /nfs/dbraw/zinc/85/12/40/1129851240.db2.gz MXDGGVJFPVXAIZ-MRXNPFEDSA-N 0 3 289.419 3.946 20 10 CHCDHN CCCCC[N@H+](Cc1c([O-])cccc1OC)C(C)C ZINC000768334092 1129851354 /nfs/dbraw/zinc/85/13/54/1129851354.db2.gz LCEXZFNETNJYGN-UHFFFAOYSA-N 0 3 265.397 3.801 20 10 CHCDHN CCCCC[N@@H+](Cc1c([O-])cccc1OC)C(C)C ZINC000768334092 1129851356 /nfs/dbraw/zinc/85/13/56/1129851356.db2.gz LCEXZFNETNJYGN-UHFFFAOYSA-N 0 3 265.397 3.801 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])[C@H]1CCCOC1 ZINC000723991080 1129851692 /nfs/dbraw/zinc/85/16/92/1129851692.db2.gz ZANHWFQCEXIXJZ-DZKIICNBSA-N 0 3 277.408 3.556 20 10 CHCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000768360215 1129853593 /nfs/dbraw/zinc/85/35/93/1129853593.db2.gz LEYMMPBUIZNXCM-QGZVFWFLSA-N 0 3 298.386 3.523 20 10 CHCDHN C[N@H+](Cc1cccc2cc[nH]c21)Cc1ccccc1[O-] ZINC000768872959 1129877707 /nfs/dbraw/zinc/87/77/07/1129877707.db2.gz MYWTWHHBVRUZEV-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN C[N@@H+](Cc1cccc2cc[nH]c21)Cc1ccccc1[O-] ZINC000768872959 1129877711 /nfs/dbraw/zinc/87/77/11/1129877711.db2.gz MYWTWHHBVRUZEV-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccccc1[O-] ZINC000768873614 1129878694 /nfs/dbraw/zinc/87/86/94/1129878694.db2.gz RTDMJXPEMJFOQA-NTCAYCPXSA-N 0 3 267.372 3.928 20 10 CHCDHN C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccccc1[O-] ZINC000768873614 1129878700 /nfs/dbraw/zinc/87/87/00/1129878700.db2.gz RTDMJXPEMJFOQA-NTCAYCPXSA-N 0 3 267.372 3.928 20 10 CHCDHN CCSCCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000800526613 1129882665 /nfs/dbraw/zinc/88/26/65/1129882665.db2.gz AFNPTXCWZBVHQP-UHFFFAOYSA-N 0 3 273.829 3.587 20 10 CHCDHN Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000800537165 1129882975 /nfs/dbraw/zinc/88/29/75/1129882975.db2.gz ZTWLKLYBPQRLCJ-GOSISDBHSA-N 0 3 285.362 3.771 20 10 CHCDHN Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000800537165 1129882977 /nfs/dbraw/zinc/88/29/77/1129882977.db2.gz ZTWLKLYBPQRLCJ-GOSISDBHSA-N 0 3 285.362 3.771 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769103999 1129890066 /nfs/dbraw/zinc/89/00/66/1129890066.db2.gz VIOIBAGCBHSSOV-CQSZACIVSA-N 0 3 267.372 3.901 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769103999 1129890070 /nfs/dbraw/zinc/89/00/70/1129890070.db2.gz VIOIBAGCBHSSOV-CQSZACIVSA-N 0 3 267.372 3.901 20 10 CHCDHN CCC[N@H+](Cc1ccc(CC)o1)Cc1ccccc1[O-] ZINC000769200925 1129895857 /nfs/dbraw/zinc/89/58/57/1129895857.db2.gz JFFLZDSXVHUECQ-UHFFFAOYSA-N 0 3 273.376 3.960 20 10 CHCDHN CCC[N@@H+](Cc1ccc(CC)o1)Cc1ccccc1[O-] ZINC000769200925 1129895859 /nfs/dbraw/zinc/89/58/59/1129895859.db2.gz JFFLZDSXVHUECQ-UHFFFAOYSA-N 0 3 273.376 3.960 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c([O-])c1 ZINC000800992825 1129903061 /nfs/dbraw/zinc/90/30/61/1129903061.db2.gz TUKXXJYMZOGNIH-KXBFYZLASA-N 0 3 299.414 3.702 20 10 CHCDHN CCOc1ccc(C[N@H+](C)[C@H](C)CCSCC)c([O-])c1 ZINC000769548547 1129917088 /nfs/dbraw/zinc/91/70/88/1129917088.db2.gz HTBRDBQSCQIGHL-CYBMUJFWSA-N 0 3 297.464 3.754 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)CCSCC)c([O-])c1 ZINC000769548547 1129917090 /nfs/dbraw/zinc/91/70/90/1129917090.db2.gz HTBRDBQSCQIGHL-CYBMUJFWSA-N 0 3 297.464 3.754 20 10 CHCDHN C[C@@H]1c2c(F)cccc2CCN1Cc1ccccc1O ZINC000770509490 1129948882 /nfs/dbraw/zinc/94/88/82/1129948882.db2.gz AZDAJFLUMDAOOX-GFCCVEGCSA-N 0 3 271.335 3.651 20 10 CHCDHN CC1(c2ccccc2)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770510892 1129949258 /nfs/dbraw/zinc/94/92/58/1129949258.db2.gz UKWXZESUTGBWIE-UHFFFAOYSA-N 0 3 281.399 3.946 20 10 CHCDHN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1[O-] ZINC000770509493 1129949276 /nfs/dbraw/zinc/94/92/76/1129949276.db2.gz BATFDNHAFSBPNU-QGZVFWFLSA-N 0 3 267.372 3.902 20 10 CHCDHN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1[O-] ZINC000770509493 1129949278 /nfs/dbraw/zinc/94/92/78/1129949278.db2.gz BATFDNHAFSBPNU-QGZVFWFLSA-N 0 3 267.372 3.902 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C)c(C)n1 ZINC000771388902 1129979287 /nfs/dbraw/zinc/97/92/87/1129979287.db2.gz KPQNSONGNPCDCS-OAHLLOKOSA-N 0 3 297.446 3.924 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2cccc(F)c2C1 ZINC001171004382 1131411991 /nfs/dbraw/zinc/41/19/91/1131411991.db2.gz DBKSUNGGJYLDHW-MRXNPFEDSA-N 0 3 299.389 3.911 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2cccc(F)c2C1 ZINC001171004382 1131411994 /nfs/dbraw/zinc/41/19/94/1131411994.db2.gz DBKSUNGGJYLDHW-MRXNPFEDSA-N 0 3 299.389 3.911 20 10 CHCDHN CCOc1ccc(O)c(CN2CC[C@@H]2c2ccccc2)c1 ZINC000771941326 1129997967 /nfs/dbraw/zinc/99/79/67/1129997967.db2.gz ZYVHFBMNQWYDBO-QGZVFWFLSA-N 0 3 283.371 3.738 20 10 CHCDHN CC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1[O-] ZINC000903180914 1130125285 /nfs/dbraw/zinc/12/52/85/1130125285.db2.gz ATYRRVGTGZDANT-QGZVFWFLSA-N 0 3 296.414 3.907 20 10 CHCDHN C[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1[O-] ZINC000903185515 1130125968 /nfs/dbraw/zinc/12/59/68/1130125968.db2.gz UOGMVEVRDBPJSK-ZDUSSCGKSA-N 0 3 282.387 3.517 20 10 CHCDHN C[C@H](NCc1nccc2c1CCCC2)c1ccccc1O ZINC000903185515 1130125971 /nfs/dbraw/zinc/12/59/71/1130125971.db2.gz UOGMVEVRDBPJSK-ZDUSSCGKSA-N 0 3 282.387 3.517 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)CC2 ZINC000903336504 1130161786 /nfs/dbraw/zinc/16/17/86/1130161786.db2.gz ZOBFKWQQPDZTQY-KBXCAEBGSA-N 0 3 280.371 3.515 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc(C)cc1[O-] ZINC000903387061 1130169706 /nfs/dbraw/zinc/16/97/06/1130169706.db2.gz FUBJOUGOWMTRLJ-NVXWUHKLSA-N 0 3 289.419 3.843 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cnn(CC2CCC2)c1 ZINC000903403628 1130171569 /nfs/dbraw/zinc/17/15/69/1130171569.db2.gz DJDDPKZESQFBKW-KBPBESRZSA-N 0 3 299.418 3.801 20 10 CHCDHN CCC(O)(CC)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000788264503 1130180377 /nfs/dbraw/zinc/18/03/77/1130180377.db2.gz XYVMVAGNGABYNH-YPMHNXCESA-N 0 3 295.398 3.610 20 10 CHCDHN CC(C)CCC[C@@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001170088535 1130204536 /nfs/dbraw/zinc/20/45/36/1130204536.db2.gz UVELUXMLQYVNDL-CQSZACIVSA-N 0 3 261.409 3.965 20 10 CHCDHN CC(C)CCC[C@@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001170088535 1130204540 /nfs/dbraw/zinc/20/45/40/1130204540.db2.gz UVELUXMLQYVNDL-CQSZACIVSA-N 0 3 261.409 3.965 20 10 CHCDHN COCCC1C[NH+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000826899687 1130308975 /nfs/dbraw/zinc/30/89/75/1130308975.db2.gz TXZBURTVVVKIQF-UHFFFAOYSA-N 0 3 297.398 3.528 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C2CC2)O1 ZINC000793214619 1130530135 /nfs/dbraw/zinc/53/01/35/1130530135.db2.gz PPHDCZPPVDQRFJ-BFUOFWGJSA-N 0 3 297.398 3.545 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C2CC2)O1 ZINC000793214619 1130530138 /nfs/dbraw/zinc/53/01/38/1130530138.db2.gz PPHDCZPPVDQRFJ-BFUOFWGJSA-N 0 3 297.398 3.545 20 10 CHCDHN FC1(F)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000793359473 1130545258 /nfs/dbraw/zinc/54/52/58/1130545258.db2.gz MRSNPYUQPIDZRT-UHFFFAOYSA-N 0 3 294.389 3.908 20 10 CHCDHN CCOc1cccc(C[N@H+](CC2CC2)C2CCC2)c1[O-] ZINC000793395199 1130553506 /nfs/dbraw/zinc/55/35/06/1130553506.db2.gz QPQAMKWQLBWKOJ-UHFFFAOYSA-N 0 3 275.392 3.555 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC2CC2)C2CCC2)c1[O-] ZINC000793395199 1130553510 /nfs/dbraw/zinc/55/35/10/1130553510.db2.gz QPQAMKWQLBWKOJ-UHFFFAOYSA-N 0 3 275.392 3.555 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCc2ccc(O)cc21 ZINC000827347483 1130567933 /nfs/dbraw/zinc/56/79/33/1130567933.db2.gz QJNNVWIGIVMSTC-IBGZPJMESA-N 0 3 296.414 3.544 20 10 CHCDHN CC1=C[C@H](C)C[C@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000811458073 1130610379 /nfs/dbraw/zinc/61/03/79/1130610379.db2.gz TXCROBIXTJNZCR-ZFWWWQNUSA-N 0 3 259.393 3.816 20 10 CHCDHN CC[C@H](Oc1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC001234660083 1130669364 /nfs/dbraw/zinc/66/93/64/1130669364.db2.gz DBRGVTNJVPRMNL-SFHVURJKSA-N 0 3 290.451 3.642 20 10 CHCDHN COC[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993221 1130699818 /nfs/dbraw/zinc/69/98/18/1130699818.db2.gz XIIPYNDOSRMBCB-KRWDZBQOSA-N 0 3 297.398 3.670 20 10 CHCDHN COC[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993221 1130699820 /nfs/dbraw/zinc/69/98/20/1130699820.db2.gz XIIPYNDOSRMBCB-KRWDZBQOSA-N 0 3 297.398 3.670 20 10 CHCDHN [O-]c1c(C[N@@H+]2CC[C@@H](F)C2)cccc1-c1ccccc1 ZINC001234996092 1130701500 /nfs/dbraw/zinc/70/15/00/1130701500.db2.gz UXUITVUPTOXCBI-OAHLLOKOSA-N 0 3 271.335 3.603 20 10 CHCDHN [O-]c1c(C[N@H+]2CC[C@@H](F)C2)cccc1-c1ccccc1 ZINC001234996092 1130701504 /nfs/dbraw/zinc/70/15/04/1130701504.db2.gz UXUITVUPTOXCBI-OAHLLOKOSA-N 0 3 271.335 3.603 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCF)c1[O-] ZINC000812737706 1130710496 /nfs/dbraw/zinc/71/04/96/1130710496.db2.gz XZNBLRHORBTHQI-JTQLQIEISA-N 0 3 259.752 3.754 20 10 CHCDHN C=Cc1ccc(CC[NH2+]Cc2ccc(OCC)cc2[O-])cc1 ZINC000812773323 1130713416 /nfs/dbraw/zinc/71/34/16/1130713416.db2.gz UGYKOJIGSRGVTH-UHFFFAOYSA-N 0 3 297.398 3.766 20 10 CHCDHN COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccccc1[O-])[C@H]2C ZINC000781925935 1130748137 /nfs/dbraw/zinc/74/81/37/1130748137.db2.gz CJTVZJDFYBRCEK-KGLIPLIRSA-N 0 3 297.398 3.909 20 10 CHCDHN COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccccc1[O-])[C@H]2C ZINC000781925935 1130748139 /nfs/dbraw/zinc/74/81/39/1130748139.db2.gz CJTVZJDFYBRCEK-KGLIPLIRSA-N 0 3 297.398 3.909 20 10 CHCDHN CC(C)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000783507968 1130830350 /nfs/dbraw/zinc/83/03/50/1130830350.db2.gz KRHSKVZCJUBPTJ-QGZVFWFLSA-N 0 3 291.435 3.809 20 10 CHCDHN CC(C)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000783507968 1130830363 /nfs/dbraw/zinc/83/03/63/1130830363.db2.gz KRHSKVZCJUBPTJ-QGZVFWFLSA-N 0 3 291.435 3.809 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000783515988 1130832664 /nfs/dbraw/zinc/83/26/64/1130832664.db2.gz AHIPACQAKYBJRD-QJNYJZHLSA-N 0 3 297.398 3.996 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1[O-] ZINC000783516094 1130832855 /nfs/dbraw/zinc/83/28/55/1130832855.db2.gz AXMLVLCJUQBXJM-QRTARXTBSA-N 0 3 267.372 3.674 20 10 CHCDHN Cc1cccc(F)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783519773 1130834241 /nfs/dbraw/zinc/83/42/41/1130834241.db2.gz XXKAHSVLBFKQOB-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)[C@@H](C)[C@@H](C)O1 ZINC000783544125 1130836868 /nfs/dbraw/zinc/83/68/68/1130836868.db2.gz PJXUCEUYVZDABD-HZSPNIEDSA-N 0 3 285.387 3.543 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@@H](C)[C@@H](C)O1 ZINC000783544125 1130836871 /nfs/dbraw/zinc/83/68/71/1130836871.db2.gz PJXUCEUYVZDABD-HZSPNIEDSA-N 0 3 285.387 3.543 20 10 CHCDHN Cc1cccc(C[N@H+](C)Cc2cc(F)ccc2[O-])c1C ZINC000814170235 1130839620 /nfs/dbraw/zinc/83/96/20/1130839620.db2.gz SNWBEHUJJCFVQR-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN Cc1cccc(C[N@@H+](C)Cc2cc(F)ccc2[O-])c1C ZINC000814170235 1130839630 /nfs/dbraw/zinc/83/96/30/1130839630.db2.gz SNWBEHUJJCFVQR-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000797061393 1130957807 /nfs/dbraw/zinc/95/78/07/1130957807.db2.gz PXCASXXCQVZULN-FNHZYXHNSA-N 0 3 299.414 3.863 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2(C(F)(F)F)CC2)c([O-])c1 ZINC000797070326 1130958846 /nfs/dbraw/zinc/95/88/46/1130958846.db2.gz KJLPCRDLTFJATB-JTQLQIEISA-N 0 3 273.298 3.694 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)c([O-])c1 ZINC001236782881 1131006847 /nfs/dbraw/zinc/00/68/47/1131006847.db2.gz GKCSEPFRTXBOAY-UHFFFAOYSA-N 0 3 281.399 3.821 20 10 CHCDHN CCc1ccc(C[N@H+]2CCc3c(C)cccc3C2)c([O-])c1 ZINC001236782881 1131006852 /nfs/dbraw/zinc/00/68/52/1131006852.db2.gz GKCSEPFRTXBOAY-UHFFFAOYSA-N 0 3 281.399 3.821 20 10 CHCDHN Cc1cc(F)ccc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000815573230 1131008247 /nfs/dbraw/zinc/00/82/47/1131008247.db2.gz CEXJTUBKFHHOCH-CYBMUJFWSA-N 0 3 285.362 3.920 20 10 CHCDHN COC1(CC[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000815642153 1131014335 /nfs/dbraw/zinc/01/43/35/1131014335.db2.gz UBIDJBWPIZTOGE-AAEUAGOBSA-N 0 3 293.382 3.628 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC2(CCOC2)CC1 ZINC001236826051 1131017212 /nfs/dbraw/zinc/01/72/12/1131017212.db2.gz FQLYEIVLBZDBST-UHFFFAOYSA-N 0 3 297.398 3.548 20 10 CHCDHN CC1(C)CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236836256 1131018378 /nfs/dbraw/zinc/01/83/78/1131018378.db2.gz BBEZDPGGPFABHD-UHFFFAOYSA-N 0 3 255.361 3.777 20 10 CHCDHN CC1(C)CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236836256 1131018385 /nfs/dbraw/zinc/01/83/85/1131018385.db2.gz BBEZDPGGPFABHD-UHFFFAOYSA-N 0 3 255.361 3.777 20 10 CHCDHN C[N@H+](CCc1ccccn1)Cc1cc2ccccc2cc1[O-] ZINC001236839665 1131022013 /nfs/dbraw/zinc/02/20/13/1131022013.db2.gz LAOSKEWTPWYKPF-UHFFFAOYSA-N 0 3 292.382 3.615 20 10 CHCDHN C[N@@H+](CCc1ccccn1)Cc1cc2ccccc2cc1[O-] ZINC001236839665 1131022020 /nfs/dbraw/zinc/02/20/20/1131022020.db2.gz LAOSKEWTPWYKPF-UHFFFAOYSA-N 0 3 292.382 3.615 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001237043552 1131038903 /nfs/dbraw/zinc/03/89/03/1131038903.db2.gz HVEQVCQXDYBHMT-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCc3ccc(C)cc3C2)c([O-])c1 ZINC001237043552 1131038907 /nfs/dbraw/zinc/03/89/07/1131038907.db2.gz HVEQVCQXDYBHMT-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001237050157 1131039623 /nfs/dbraw/zinc/03/96/23/1131039623.db2.gz QWPQRDINULFTTR-UHFFFAOYSA-N 0 3 299.361 3.658 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c([O-])c1 ZINC001237050157 1131039629 /nfs/dbraw/zinc/03/96/29/1131039629.db2.gz QWPQRDINULFTTR-UHFFFAOYSA-N 0 3 299.361 3.658 20 10 CHCDHN CC(C)c1ccc(C[N@H+](C)CCc2ccccn2)c([O-])c1 ZINC001237046822 1131039716 /nfs/dbraw/zinc/03/97/16/1131039716.db2.gz GMWGDDXLLDBHEA-UHFFFAOYSA-N 0 3 284.403 3.585 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](C)CCc2ccccn2)c([O-])c1 ZINC001237046822 1131039721 /nfs/dbraw/zinc/03/97/21/1131039721.db2.gz GMWGDDXLLDBHEA-UHFFFAOYSA-N 0 3 284.403 3.585 20 10 CHCDHN COCCC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237053884 1131043318 /nfs/dbraw/zinc/04/33/18/1131043318.db2.gz PPKCHDOCWJTAJA-UHFFFAOYSA-N 0 3 291.435 3.764 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237136797 1131054923 /nfs/dbraw/zinc/05/49/23/1131054923.db2.gz WMTCGCOYPLAILY-PHIMTYICSA-N 0 3 285.309 3.643 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237136797 1131054932 /nfs/dbraw/zinc/05/49/32/1131054932.db2.gz WMTCGCOYPLAILY-PHIMTYICSA-N 0 3 285.309 3.643 20 10 CHCDHN C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237140739 1131058250 /nfs/dbraw/zinc/05/82/50/1131058250.db2.gz OKNWRPIQNUBMAX-PHIMTYICSA-N 0 3 287.325 3.889 20 10 CHCDHN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237140739 1131058255 /nfs/dbraw/zinc/05/82/55/1131058255.db2.gz OKNWRPIQNUBMAX-PHIMTYICSA-N 0 3 287.325 3.889 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001237489848 1131104389 /nfs/dbraw/zinc/10/43/89/1131104389.db2.gz LNAFPHMHIZUYKS-KRWDZBQOSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001237489848 1131104391 /nfs/dbraw/zinc/10/43/91/1131104391.db2.gz LNAFPHMHIZUYKS-KRWDZBQOSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001237486660 1131105059 /nfs/dbraw/zinc/10/50/59/1131105059.db2.gz AHGXKKYYXRLMFO-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001237486660 1131105063 /nfs/dbraw/zinc/10/50/63/1131105063.db2.gz AHGXKKYYXRLMFO-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1cccc(O)c1CN1CCc2cccc(Cl)c2C1 ZINC001237491609 1131105074 /nfs/dbraw/zinc/10/50/74/1131105074.db2.gz KEUUBSYFDYRLOW-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001237493345 1131106006 /nfs/dbraw/zinc/10/60/06/1131106006.db2.gz XLFRCAQNIIKPRI-CQSZACIVSA-N 0 3 267.372 3.647 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001237493345 1131106012 /nfs/dbraw/zinc/10/60/12/1131106012.db2.gz XLFRCAQNIIKPRI-CQSZACIVSA-N 0 3 267.372 3.647 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])nc1 ZINC000816589682 1131108672 /nfs/dbraw/zinc/10/86/72/1131108672.db2.gz FIOAPOXSZJVYJX-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])nc1 ZINC000816589682 1131108674 /nfs/dbraw/zinc/10/86/74/1131108674.db2.gz FIOAPOXSZJVYJX-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000816619817 1131117671 /nfs/dbraw/zinc/11/76/71/1131117671.db2.gz WNUVCXJOSVGQTG-OAHLLOKOSA-N 0 3 285.362 3.911 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000816619817 1131117675 /nfs/dbraw/zinc/11/76/75/1131117675.db2.gz WNUVCXJOSVGQTG-OAHLLOKOSA-N 0 3 285.362 3.911 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1[O-] ZINC001237681792 1131126863 /nfs/dbraw/zinc/12/68/63/1131126863.db2.gz SHSXDIZWBBZBBM-RYUDHWBXSA-N 0 3 265.784 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1[O-] ZINC001237685075 1131127387 /nfs/dbraw/zinc/12/73/87/1131127387.db2.gz DWFPYGXKBYCYQG-JTQLQIEISA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(F)F)C2)c1[O-] ZINC001237685075 1131127391 /nfs/dbraw/zinc/12/73/91/1131127391.db2.gz DWFPYGXKBYCYQG-JTQLQIEISA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CC3CCC(CC3)C2)c1[O-] ZINC001237687438 1131128834 /nfs/dbraw/zinc/12/88/34/1131128834.db2.gz AYUPKBACAFGUJP-UHFFFAOYSA-N 0 3 279.811 3.976 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccccc1[O-] ZINC000817411364 1131160580 /nfs/dbraw/zinc/16/05/80/1131160580.db2.gz QMKHAAAPJBQRQB-HIFRSBDPSA-N 0 3 291.460 3.966 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC3(C2)CCCCC3)c1[O-] ZINC001238067995 1131166666 /nfs/dbraw/zinc/16/66/66/1131166666.db2.gz WMFXRNGPZIFWQT-UHFFFAOYSA-N 0 3 277.383 3.996 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC3(C2)CCCCC3)c1[O-] ZINC001238067995 1131166669 /nfs/dbraw/zinc/16/66/69/1131166669.db2.gz WMFXRNGPZIFWQT-UHFFFAOYSA-N 0 3 277.383 3.996 20 10 CHCDHN CCC[N@@H+](Cc1cc(F)cc(C)c1[O-])CC(C)C ZINC001238068036 1131166988 /nfs/dbraw/zinc/16/69/88/1131166988.db2.gz TVJINPSCDFOPOQ-UHFFFAOYSA-N 0 3 253.361 3.708 20 10 CHCDHN CCC[N@H+](Cc1cc(F)cc(C)c1[O-])CC(C)C ZINC001238068036 1131166990 /nfs/dbraw/zinc/16/69/90/1131166990.db2.gz TVJINPSCDFOPOQ-UHFFFAOYSA-N 0 3 253.361 3.708 20 10 CHCDHN CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C)c1[O-] ZINC001238067918 1131167261 /nfs/dbraw/zinc/16/72/61/1131167261.db2.gz RSRCDWSNGHOAQX-AWEZNQCLSA-N 0 3 251.345 3.604 20 10 CHCDHN CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C)c1[O-] ZINC001238067918 1131167263 /nfs/dbraw/zinc/16/72/63/1131167263.db2.gz RSRCDWSNGHOAQX-AWEZNQCLSA-N 0 3 251.345 3.604 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccc(C)cc1[O-] ZINC000817587675 1131174107 /nfs/dbraw/zinc/17/41/07/1131174107.db2.gz ZZIZLQHSAPLURG-SQWLQELKSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCO1 ZINC000817586055 1131174433 /nfs/dbraw/zinc/17/44/33/1131174433.db2.gz LGSXHHNQROTILH-KWCYVHTRSA-N 0 3 297.826 3.962 20 10 CHCDHN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCO1 ZINC000817586051 1131174459 /nfs/dbraw/zinc/17/44/59/1131174459.db2.gz LGSXHHNQROTILH-FPMFFAJLSA-N 0 3 297.826 3.962 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccccc1[O-] ZINC000817590661 1131174852 /nfs/dbraw/zinc/17/48/52/1131174852.db2.gz ZOXZNMYCHBQCKV-QWHCGFSZSA-N 0 3 277.433 3.576 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC23CCSCC3)c([O-])c1 ZINC000817589589 1131175123 /nfs/dbraw/zinc/17/51/23/1131175123.db2.gz OQAKKOIVPSPAOI-UONOGXRCSA-N 0 3 291.460 3.885 20 10 CHCDHN CCCC[C@H](CN)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817962242 1131192812 /nfs/dbraw/zinc/19/28/12/1131192812.db2.gz JUWINJSGYVBXRE-DZGCQCFKSA-N 0 3 286.419 3.714 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCCC(C)(F)F)c1[O-] ZINC000824477513 1131470452 /nfs/dbraw/zinc/47/04/52/1131470452.db2.gz UDTZLVHLBODVKR-UHFFFAOYSA-N 0 3 277.742 3.879 20 10 CHCDHN Cc1cc(C[N@@H+]2CCc3cccc([O-])c3C2)c(C)s1 ZINC001138570999 1131522218 /nfs/dbraw/zinc/52/22/18/1131522218.db2.gz SBEDLRFDMJAXPR-UHFFFAOYSA-N 0 3 273.401 3.629 20 10 CHCDHN Cc1cc(C[N@H+]2CCc3cccc([O-])c3C2)c(C)s1 ZINC001138570999 1131522223 /nfs/dbraw/zinc/52/22/23/1131522223.db2.gz SBEDLRFDMJAXPR-UHFFFAOYSA-N 0 3 273.401 3.629 20 10 CHCDHN CCc1cccc(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001144326899 1131619225 /nfs/dbraw/zinc/61/92/25/1131619225.db2.gz ZZLOXPCXMGTVRH-UHFFFAOYSA-N 0 3 297.398 3.609 20 10 CHCDHN CCOc1ccc(C)cc1CN1CCc2cccc(O)c2C1 ZINC001139607338 1131621971 /nfs/dbraw/zinc/62/19/71/1131621971.db2.gz OGEZDUWGLNJLRG-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000834639754 1131689846 /nfs/dbraw/zinc/68/98/46/1131689846.db2.gz ASQRMYFGIKFAKU-SJORKVTESA-N 0 3 279.383 3.965 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)CC2 ZINC000834668723 1131692590 /nfs/dbraw/zinc/69/25/90/1131692590.db2.gz NPXIEZDEVQWONS-GVDBMIGSSA-N 0 3 279.383 3.600 20 10 CHCDHN C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1ccccc1[O-] ZINC000846185851 1131697644 /nfs/dbraw/zinc/69/76/44/1131697644.db2.gz UDTRKNACVWEWIU-GDLCADMTSA-N 0 3 271.763 3.748 20 10 CHCDHN C[C@]1(CC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@@]1(F)Cl ZINC000846184288 1131697696 /nfs/dbraw/zinc/69/76/96/1131697696.db2.gz JLMWVOXKMZKOTB-CQDKDKBSSA-N 0 3 283.774 3.674 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000846187847 1131697754 /nfs/dbraw/zinc/69/77/54/1131697754.db2.gz LPSNANGIFPGXFU-YZVOILCLSA-N 0 3 299.414 3.647 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000846187846 1131697820 /nfs/dbraw/zinc/69/78/20/1131697820.db2.gz LPSNANGIFPGXFU-QMTMVMCOSA-N 0 3 299.414 3.647 20 10 CHCDHN Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000846190334 1131698420 /nfs/dbraw/zinc/69/84/20/1131698420.db2.gz QNTGUZPIEKZJDY-GVDBMIGSSA-N 0 3 279.383 3.834 20 10 CHCDHN CS[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C(C)(C)C ZINC000834759894 1131703212 /nfs/dbraw/zinc/70/32/12/1131703212.db2.gz GPQOGVZQIJIAGS-JSGCOSHPSA-N 0 3 279.449 3.747 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC000834793990 1131706337 /nfs/dbraw/zinc/70/63/37/1131706337.db2.gz LOGGGDUKXSVCHI-HZPDHXFCSA-N 0 3 299.801 3.790 20 10 CHCDHN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(C)cc1O ZINC000834895821 1131720841 /nfs/dbraw/zinc/72/08/41/1131720841.db2.gz RVIDWFLDJIOEBP-AEGPPILISA-N 0 3 285.391 3.644 20 10 CHCDHN C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000834897895 1131724156 /nfs/dbraw/zinc/72/41/56/1131724156.db2.gz WVPOGGLXDXPLOD-CYBMUJFWSA-N 0 3 285.362 3.957 20 10 CHCDHN CC[N@H+](Cc1ccc2c(c1)CCC2)Cc1ccccc1[O-] ZINC001203035032 1131724558 /nfs/dbraw/zinc/72/45/58/1131724558.db2.gz NYDJJUKJRZTBBY-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN CC[N@@H+](Cc1ccc2c(c1)CCC2)Cc1ccccc1[O-] ZINC001203035032 1131724566 /nfs/dbraw/zinc/72/45/66/1131724566.db2.gz NYDJJUKJRZTBBY-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(C)cn1)c1ccc(C)cc1[O-] ZINC000834909077 1131730817 /nfs/dbraw/zinc/73/08/17/1131730817.db2.gz KHMSGOWULFSKBD-QGZVFWFLSA-N 0 3 284.403 3.687 20 10 CHCDHN CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834914825 1131732720 /nfs/dbraw/zinc/73/27/20/1131732720.db2.gz WRJBXAFMAFJKPM-IKVITTDRSA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCC1(F)F ZINC000835052568 1131766992 /nfs/dbraw/zinc/76/69/92/1131766992.db2.gz HGIPBKOSEGXUTD-WSNITJDQSA-N 0 3 294.389 3.743 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCC2CC(F)(F)C2)c1[O-] ZINC000835061151 1131768293 /nfs/dbraw/zinc/76/82/93/1131768293.db2.gz XDEHRPWIRFLZMX-UHFFFAOYSA-N 0 3 289.753 3.879 20 10 CHCDHN CCN(CC)c1ccc(CN2CCC[C@@](C)(F)C2)c(O)c1 ZINC001140850083 1131945895 /nfs/dbraw/zinc/94/58/95/1131945895.db2.gz CTAZQJVHIVRVDK-QGZVFWFLSA-N 0 3 294.414 3.562 20 10 CHCDHN CN(C)c1ccc(CN(C)C(C)(C)C)c(Cl)c1 ZINC001140925088 1131965069 /nfs/dbraw/zinc/96/50/69/1131965069.db2.gz ZIFOCVPIARSOJW-UHFFFAOYSA-N 0 3 254.805 3.636 20 10 CHCDHN CC[N@H+](Cc1ccccc1)Cc1ccc(C)cc1[O-] ZINC001140948519 1131970639 /nfs/dbraw/zinc/97/06/39/1131970639.db2.gz LIXIYQLURJQKKB-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN CC[N@@H+](Cc1ccccc1)Cc1ccc(C)cc1[O-] ZINC001140948519 1131970641 /nfs/dbraw/zinc/97/06/41/1131970641.db2.gz LIXIYQLURJQKKB-UHFFFAOYSA-N 0 3 255.361 3.723 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)OCO2 ZINC000036982035 1131985873 /nfs/dbraw/zinc/98/58/73/1131985873.db2.gz MZXIFUIRUKYDSY-RYUDHWBXSA-N 0 3 285.343 3.533 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1OC ZINC000036995044 1131987057 /nfs/dbraw/zinc/98/70/57/1131987057.db2.gz GFNOZOBEPQKFHF-OAHLLOKOSA-N 0 3 271.360 3.642 20 10 CHCDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccns2)c(O)c1 ZINC000715966736 1132000802 /nfs/dbraw/zinc/00/08/02/1132000802.db2.gz OTINCXQRUSSSBO-GHMZBOCLSA-N 0 3 262.378 3.569 20 10 CHCDHN CCc1ccccc1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001141227706 1132050858 /nfs/dbraw/zinc/05/08/58/1132050858.db2.gz FPNMZBPYXYDYTK-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN CCc1ccccc1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001141227706 1132050862 /nfs/dbraw/zinc/05/08/62/1132050862.db2.gz FPNMZBPYXYDYTK-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN CCc1cc(Nc2ccc(C(F)(F)F)cc2O)ccn1 ZINC001212632291 1132115968 /nfs/dbraw/zinc/11/59/68/1132115968.db2.gz RDMUGVJKIJMBPF-UHFFFAOYSA-N 0 3 282.265 3.534 20 10 CHCDHN CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000840764138 1132284535 /nfs/dbraw/zinc/28/45/35/1132284535.db2.gz NMIJCNAAHVGEJC-CIQGVGRVSA-N 0 3 293.382 3.625 20 10 CHCDHN C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840771079 1132285521 /nfs/dbraw/zinc/28/55/21/1132285521.db2.gz AAKCBHWNTVXPJF-YOEHRIQHSA-N 0 3 296.414 3.776 20 10 CHCDHN COC1([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000840883491 1132302794 /nfs/dbraw/zinc/30/27/94/1132302794.db2.gz DIZCIWZZYRJFPR-NWDGAFQWSA-N 0 3 297.826 3.962 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CC(c2cccnc2)C1 ZINC001231590834 1132316884 /nfs/dbraw/zinc/31/68/84/1132316884.db2.gz NERYQOKRWMLAAR-UHFFFAOYSA-N 0 3 290.366 3.540 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001231588320 1132318118 /nfs/dbraw/zinc/31/81/18/1132318118.db2.gz PHSCFXVKIUASJM-UHFFFAOYSA-N 0 3 289.325 3.777 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC2(CCOC2)CC1 ZINC001231588462 1132318416 /nfs/dbraw/zinc/31/84/16/1132318416.db2.gz QSZHMOKQXQGKED-UHFFFAOYSA-N 0 3 297.398 3.548 20 10 CHCDHN Cc1cccc2c1CN(Cc1cccc(C)c1O)C2 ZINC001231591289 1132321752 /nfs/dbraw/zinc/32/17/52/1132321752.db2.gz ZLHKJPYVRKUTDQ-UHFFFAOYSA-N 0 3 253.345 3.525 20 10 CHCDHN C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1[O-] ZINC001172860381 1132345984 /nfs/dbraw/zinc/34/59/84/1132345984.db2.gz CNGNBFHLXKQPBJ-LLVKDONJSA-N 0 3 293.769 3.906 20 10 CHCDHN CCCc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC001142367044 1132375449 /nfs/dbraw/zinc/37/54/49/1132375449.db2.gz DPLQNFMHJIUFOB-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN CCCc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC001142367044 1132375457 /nfs/dbraw/zinc/37/54/57/1132375457.db2.gz DPLQNFMHJIUFOB-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2COCc3ccccc32)c1 ZINC000841758357 1132393924 /nfs/dbraw/zinc/39/39/24/1132393924.db2.gz AOKMYHVAFOGHOJ-SUMWQHHRSA-N 0 3 283.371 3.623 20 10 CHCDHN COCC1(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000842890531 1132473820 /nfs/dbraw/zinc/47/38/20/1132473820.db2.gz GUKROJHUGFVJCE-GFCCVEGCSA-N 0 3 297.826 3.821 20 10 CHCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cccc(N)n1 ZINC001163486951 1133153253 /nfs/dbraw/zinc/15/32/53/1133153253.db2.gz PAQUXJSRNLGWBO-KRWDZBQOSA-N 0 3 297.402 3.722 20 10 CHCDHN COc1cccc(C[N@H+](C)C(C)(C)Cc2ccccc2)c1[O-] ZINC001203599215 1133343867 /nfs/dbraw/zinc/34/38/67/1133343867.db2.gz DDKFBZPKQSLUNB-UHFFFAOYSA-N 0 3 299.414 3.854 20 10 CHCDHN COc1cccc(C[N@@H+](C)C(C)(C)Cc2ccccc2)c1[O-] ZINC001203599215 1133343873 /nfs/dbraw/zinc/34/38/73/1133343873.db2.gz DDKFBZPKQSLUNB-UHFFFAOYSA-N 0 3 299.414 3.854 20 10 CHCDHN CN(Cc1ccc(O)c(O)c1)Cc1cccc2ccccc21 ZINC001203879656 1133378572 /nfs/dbraw/zinc/37/85/72/1133378572.db2.gz WPTZKFSUIMQCPX-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1[O-] ZINC001204049285 1133403492 /nfs/dbraw/zinc/40/34/92/1133403492.db2.gz WMJOQACXWOLDMX-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN C[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1[O-] ZINC001204049285 1133403494 /nfs/dbraw/zinc/40/34/94/1133403494.db2.gz WMJOQACXWOLDMX-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN CC[C@@H]1COCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204239620 1133424287 /nfs/dbraw/zinc/42/42/87/1133424287.db2.gz AKHZXLYGIGBHSW-MRXNPFEDSA-N 0 3 298.430 3.517 20 10 CHCDHN F[C@@H]1CCCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204325649 1133438276 /nfs/dbraw/zinc/43/82/76/1133438276.db2.gz SNQYLMPSBVFDJE-MRXNPFEDSA-N 0 3 276.399 3.611 20 10 CHCDHN COc1cc(C)c(C[NH+]2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC001205420857 1133575528 /nfs/dbraw/zinc/57/55/28/1133575528.db2.gz JEKGXSONDNONKE-UHFFFAOYSA-N 0 3 291.435 3.967 20 10 CHCDHN COc1ccc(C[NH2+]CC2CCC(C(C)C)CC2)c([O-])c1 ZINC001205517208 1133584708 /nfs/dbraw/zinc/58/47/08/1133584708.db2.gz JQFCUGLNKKIRCG-UHFFFAOYSA-N 0 3 291.435 3.953 20 10 CHCDHN C[N@H+](CCCc1ccccc1F)Cc1ccccc1[O-] ZINC001207495061 1133809380 /nfs/dbraw/zinc/80/93/80/1133809380.db2.gz RBIHHWAYGOBXQP-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN C[N@@H+](CCCc1ccccc1F)Cc1ccccc1[O-] ZINC001207495061 1133809387 /nfs/dbraw/zinc/80/93/87/1133809387.db2.gz RBIHHWAYGOBXQP-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)[C@H](C)CO1 ZINC000403825817 1134876828 /nfs/dbraw/zinc/87/68/28/1134876828.db2.gz MLRPVNSDAAPNMU-HIFRSBDPSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H](C)CO1 ZINC000403825817 1134876835 /nfs/dbraw/zinc/87/68/35/1134876835.db2.gz MLRPVNSDAAPNMU-HIFRSBDPSA-N 0 3 285.387 3.545 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2[O-])cc1 ZINC000035628579 260030843 /nfs/dbraw/zinc/03/08/43/260030843.db2.gz IXOLZAGXUUFKRO-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccccc1[O-] ZINC000020095485 170994404 /nfs/dbraw/zinc/99/44/04/170994404.db2.gz JREMCYIQAYFKEH-NWDGAFQWSA-N 0 3 259.324 3.943 20 10 CHCDHN C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC000020122491 171002576 /nfs/dbraw/zinc/00/25/76/171002576.db2.gz XRWTUFMFCDAJNB-ZDUSSCGKSA-N 0 3 280.371 3.767 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000020137102 171024755 /nfs/dbraw/zinc/02/47/55/171024755.db2.gz NHTSKVCAGUVVSE-KGLIPLIRSA-N 0 3 255.361 3.847 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000020146051 171031729 /nfs/dbraw/zinc/03/17/29/171031729.db2.gz WOKDIDPIOMPFDO-GFCCVEGCSA-N 0 3 260.406 3.665 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000020146094 171031878 /nfs/dbraw/zinc/03/18/78/171031878.db2.gz DOHUBUUOGCSIPL-LBPRGKRZSA-N 0 3 290.357 3.882 20 10 CHCDHN CC[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccccc1[O-] ZINC000020146310 171032408 /nfs/dbraw/zinc/03/24/08/171032408.db2.gz NDVFPPDDTHVHQS-QGZVFWFLSA-N 0 3 290.451 3.555 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cccnc2)c1 ZINC000035628822 172307794 /nfs/dbraw/zinc/30/77/94/172307794.db2.gz ZJIXYQGASNQNNS-OLZOCXBDSA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@H](C)c2cccnc2)c1 ZINC000035628822 172307796 /nfs/dbraw/zinc/30/77/96/172307796.db2.gz ZJIXYQGASNQNNS-OLZOCXBDSA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000071406565 176155657 /nfs/dbraw/zinc/15/56/57/176155657.db2.gz IDJGJWNXQHDAQC-OAHLLOKOSA-N 0 3 269.388 3.812 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]Cc2cccc(Cl)c2)c1 ZINC000071409250 176156740 /nfs/dbraw/zinc/15/67/40/176156740.db2.gz XNVXHIICIKCKBU-UHFFFAOYSA-N 0 3 261.752 3.644 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1ccccc1[O-] ZINC000155925449 261110068 /nfs/dbraw/zinc/11/00/68/261110068.db2.gz JXTCIJJXXFZRPV-BZNIZROVSA-N 0 3 288.391 3.669 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1[O-] ZINC000156766287 261131819 /nfs/dbraw/zinc/13/18/19/261131819.db2.gz JAEXAPGNQBSFGC-GDBMZVCRSA-N 0 3 289.419 3.925 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccccc1[O-] ZINC000157008794 261137162 /nfs/dbraw/zinc/13/71/62/261137162.db2.gz AARBDKWHNSSHAO-MRXNPFEDSA-N 0 3 289.350 3.781 20 10 CHCDHN CC[C@@H](N[C@@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000158521589 261166621 /nfs/dbraw/zinc/16/66/21/261166621.db2.gz MDNDANHTOKLQGS-KBXCAEBGSA-N 0 3 283.419 3.950 20 10 CHCDHN COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183503922 261978053 /nfs/dbraw/zinc/97/80/53/261978053.db2.gz GTBKUWPPYBMOAP-NSHDSACASA-N 0 3 291.778 3.905 20 10 CHCDHN C[C@@H](NCc1cccnc1)c1cc2c(cc1O)CCCC2 ZINC000184837094 262030394 /nfs/dbraw/zinc/03/03/94/262030394.db2.gz ANGYZZSEKUAXEM-CYBMUJFWSA-N 0 3 282.387 3.517 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000184837094 262030397 /nfs/dbraw/zinc/03/03/97/262030397.db2.gz ANGYZZSEKUAXEM-CYBMUJFWSA-N 0 3 282.387 3.517 20 10 CHCDHN C[C@H]([NH2+]CCc1ccccn1)c1cc2c(cc1[O-])CCCC2 ZINC000184839317 262030930 /nfs/dbraw/zinc/03/09/30/262030930.db2.gz VOPWPJWZRSXUTA-AWEZNQCLSA-N 0 3 296.414 3.559 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000184911679 262033175 /nfs/dbraw/zinc/03/31/75/262033175.db2.gz NPYZZOFHEJRTPK-ZDUSSCGKSA-N 0 3 273.351 3.999 20 10 CHCDHN COCc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184942186 262035179 /nfs/dbraw/zinc/03/51/79/262035179.db2.gz URJFWCZILDQHPJ-AWEZNQCLSA-N 0 3 285.387 3.698 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186157532 262082485 /nfs/dbraw/zinc/08/24/85/262082485.db2.gz DDOIQOYHEZYWBM-RYUDHWBXSA-N 0 3 288.391 3.760 20 10 CHCDHN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186157498 262082920 /nfs/dbraw/zinc/08/29/20/262082920.db2.gz DDOIQOYHEZYWBM-NEPJUHHUSA-N 0 3 288.391 3.760 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186158321 262082989 /nfs/dbraw/zinc/08/29/89/262082989.db2.gz NCQCGRSHQSQXOV-UWVGGRQHSA-N 0 3 292.354 3.590 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2[O-])s1 ZINC000186766156 262108868 /nfs/dbraw/zinc/10/88/68/262108868.db2.gz ZYIXKVVLSNVZNA-DGCLKSJQSA-N 0 3 290.432 3.920 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3c1cccc3F)CC2 ZINC000297946385 263212740 /nfs/dbraw/zinc/21/27/40/263212740.db2.gz YJACGXTVUACNFI-HOTGVXAUSA-N 0 3 283.346 3.796 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1 ZINC000158493707 327629816 /nfs/dbraw/zinc/62/98/16/327629816.db2.gz QQMHXKKNJFJJEG-CABCVRRESA-N 0 3 283.419 3.950 20 10 CHCDHN C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccccc1[O-] ZINC000272845334 328200965 /nfs/dbraw/zinc/20/09/65/328200965.db2.gz KHQDCRBGDORHFL-ZDUSSCGKSA-N 0 3 253.345 3.732 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000037770901 326861034 /nfs/dbraw/zinc/86/10/34/326861034.db2.gz SYQDBPUIPAIHRR-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN Cc1ccc(O)c(CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000527771338 330282003 /nfs/dbraw/zinc/28/20/03/330282003.db2.gz HUOLUVZNBBOQNW-GOSISDBHSA-N 0 3 282.387 3.727 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527771338 330282004 /nfs/dbraw/zinc/28/20/04/330282004.db2.gz HUOLUVZNBBOQNW-GOSISDBHSA-N 0 3 282.387 3.727 20 10 CHCDHN COc1ccc(C(C)(C)[NH2+]Cc2ccccc2[O-])cc1F ZINC000527780774 330283070 /nfs/dbraw/zinc/28/30/70/330283070.db2.gz JENSRUIEAXGDLB-UHFFFAOYSA-N 0 3 289.350 3.565 20 10 CHCDHN CC[C@@H](c1ccc(C)cc1[O-])[NH+]1CCC(CCOC)CC1 ZINC000527937296 330293664 /nfs/dbraw/zinc/29/36/64/330293664.db2.gz SDILSGYPSOVFIZ-KRWDZBQOSA-N 0 3 291.435 3.900 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccnc2C)c([O-])c1C ZINC000527986740 330298738 /nfs/dbraw/zinc/29/87/38/330298738.db2.gz LXAONIPGQLXIKQ-AWEZNQCLSA-N 0 3 270.376 3.563 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cccnc2C)c(O)c1C ZINC000527986740 330298739 /nfs/dbraw/zinc/29/87/39/330298739.db2.gz LXAONIPGQLXIKQ-AWEZNQCLSA-N 0 3 270.376 3.563 20 10 CHCDHN Cc1ncccc1C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000527987252 330298916 /nfs/dbraw/zinc/29/89/16/330298916.db2.gz NKDQGZFBSMASBR-CQSZACIVSA-N 0 3 296.414 3.825 20 10 CHCDHN Cc1ncccc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000527987252 330298917 /nfs/dbraw/zinc/29/89/17/330298917.db2.gz NKDQGZFBSMASBR-CQSZACIVSA-N 0 3 296.414 3.825 20 10 CHCDHN CCOCc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037762242 520214235 /nfs/dbraw/zinc/21/42/35/520214235.db2.gz JYRPRXBMCYTLET-AWEZNQCLSA-N 0 3 285.387 3.780 20 10 CHCDHN CCOc1cccc(CN(C)[C@@H](C)c2ccco2)c1O ZINC000131075128 521334672 /nfs/dbraw/zinc/33/46/72/521334672.db2.gz IHBODAFKZSEZOV-LBPRGKRZSA-N 0 3 275.348 3.577 20 10 CHCDHN CC[C@H]([NH2+]CCCOC(C)C)c1ccc(C)cc1[O-] ZINC000280030639 522585199 /nfs/dbraw/zinc/58/51/99/522585199.db2.gz ICZRRSIJHIDDCB-HNNXBMFYSA-N 0 3 265.397 3.556 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000274776071 522599217 /nfs/dbraw/zinc/59/92/17/522599217.db2.gz OAEUXLLVLWDWOB-YCPHGPKFSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccncc1C)c1ccc(C)cc1[O-] ZINC000280016672 522602503 /nfs/dbraw/zinc/60/25/03/522602503.db2.gz HCAYVSZMZNIPBO-KRWDZBQOSA-N 0 3 284.403 3.687 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280105858 522626461 /nfs/dbraw/zinc/62/64/61/522626461.db2.gz NIWWFYHUXOKBOL-AEFFLSMTSA-N 0 3 299.414 3.517 20 10 CHCDHN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000290557635 523122213 /nfs/dbraw/zinc/12/22/13/523122213.db2.gz SECUUHOCXZHXDJ-INIZCTEOSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000290557635 523122220 /nfs/dbraw/zinc/12/22/20/523122220.db2.gz SECUUHOCXZHXDJ-INIZCTEOSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[C@@H](c1ccncc1)N(C)Cc1cc(C)ccc1O ZINC000290557635 523122226 /nfs/dbraw/zinc/12/22/26/523122226.db2.gz SECUUHOCXZHXDJ-INIZCTEOSA-N 0 3 270.376 3.679 20 10 CHCDHN COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617667 524155591 /nfs/dbraw/zinc/15/55/91/524155591.db2.gz GSNCQJDQDNJLDY-NWDGAFQWSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1cccc(CN[C@H](C)c2ccc(F)cc2F)c1O ZINC000158087610 524438949 /nfs/dbraw/zinc/43/89/49/524438949.db2.gz GQYPMHHYDBVSOR-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000050225189 524590490 /nfs/dbraw/zinc/59/04/90/524590490.db2.gz TUUJLSTVVJSOQX-LBPRGKRZSA-N 0 3 261.390 3.921 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1C ZINC000289868709 525316471 /nfs/dbraw/zinc/31/64/71/525316471.db2.gz RBWUMLQNNICMLV-KRWDZBQOSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccncc2)cc1C ZINC000289868709 525316485 /nfs/dbraw/zinc/31/64/85/525316485.db2.gz RBWUMLQNNICMLV-KRWDZBQOSA-N 0 3 282.387 3.741 20 10 CHCDHN COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000094618476 525334191 /nfs/dbraw/zinc/33/41/91/525334191.db2.gz ZGOJSUWESJRWPD-NWDGAFQWSA-N 0 3 289.350 3.952 20 10 CHCDHN C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000280699186 525695981 /nfs/dbraw/zinc/69/59/81/525695981.db2.gz CCRZKXUMJNLOMT-FVQBIDKESA-N 0 3 267.372 3.989 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2CC(F)(F)C2)c([O-])c1C ZINC000293380660 525916537 /nfs/dbraw/zinc/91/65/37/525916537.db2.gz IHZBNTBPCVDQJH-NSHDSACASA-N 0 3 269.335 3.705 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)c([O-])c1C ZINC000273530915 525945247 /nfs/dbraw/zinc/94/52/47/525945247.db2.gz WHTCGCOJVGYZHA-GJZGRUSLSA-N 0 3 289.419 3.761 20 10 CHCDHN COc1cccc(C[NH2+]C2CC(C)(c3ccccc3)C2)c1[O-] ZINC000264933503 526011108 /nfs/dbraw/zinc/01/11/08/526011108.db2.gz BVPZKNXHEPBSME-UHFFFAOYSA-N 0 3 297.398 3.611 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000061331041 526374195 /nfs/dbraw/zinc/37/41/95/526374195.db2.gz SQOMMJLJGYFHAD-ZDUSSCGKSA-N 0 3 259.374 3.621 20 10 CHCDHN CCSCCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000271683166 1122171884 /nfs/dbraw/zinc/17/18/84/1122171884.db2.gz IVMKRIULWDVSQI-ZDUSSCGKSA-N 0 3 253.411 3.576 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1[O-] ZINC000775702544 1122913331 /nfs/dbraw/zinc/91/33/31/1122913331.db2.gz RZDMJBLKPBJJJA-WDEREUQCSA-N 0 3 285.840 3.680 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)CCSC)c1ccc(C)cc1[O-] ZINC000794803728 1123953257 /nfs/dbraw/zinc/95/32/57/1123953257.db2.gz SOMGHMNDNNJYJS-OCCSQVGLSA-N 0 3 267.438 3.883 20 10 CHCDHN CSc1ccc(CN[C@H](C)c2ccccc2O)o1 ZINC000883224334 1125380076 /nfs/dbraw/zinc/38/00/76/1125380076.db2.gz JWVMTQKCQQKRMK-SNVBAGLBSA-N 0 3 263.362 3.558 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000840880323 1132300303 /nfs/dbraw/zinc/30/03/03/1132300303.db2.gz BWQAIVBOFRPPNP-YQQAZPJKSA-N 0 3 279.424 3.537 20 10 CHCDHN CCSC[C@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001173293988 1132442494 /nfs/dbraw/zinc/44/24/94/1132442494.db2.gz BJYMIFYPBCKPGR-LBPRGKRZSA-N 0 3 275.417 3.777 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000134226035 1125544504 /nfs/dbraw/zinc/54/45/04/1125544504.db2.gz JZYNXWFITCLBAP-HNNXBMFYSA-N 0 3 267.372 3.602 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCCCC2 ZINC000135805478 1125600831 /nfs/dbraw/zinc/60/08/31/1125600831.db2.gz MJSANSGXYCEOTD-DLBZAZTESA-N 0 3 289.419 3.610 20 10 CHCDHN CN(C)c1ccc(CN(C)Cc2cccc(F)c2)cc1 ZINC000302746175 1126740828 /nfs/dbraw/zinc/74/08/28/1126740828.db2.gz ZRGFRAZQKJBXFL-UHFFFAOYSA-N 0 3 272.367 3.524 20 10 CHCDHN COc1ccc(F)cc1[C@@H](C)NCc1cccc(C)c1O ZINC000158107370 1126746773 /nfs/dbraw/zinc/74/67/73/1126746773.db2.gz ZZSSFHHEILGMMJ-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN CCCCC[N@H+](CCCOC)Cc1cc(F)ccc1[O-] ZINC000780792102 1130693227 /nfs/dbraw/zinc/69/32/27/1130693227.db2.gz FXKZTUWMKAFXHL-UHFFFAOYSA-N 0 3 283.387 3.560 20 10 CHCDHN CCCCC[N@@H+](CCCOC)Cc1cc(F)ccc1[O-] ZINC000780792102 1130693232 /nfs/dbraw/zinc/69/32/32/1130693232.db2.gz FXKZTUWMKAFXHL-UHFFFAOYSA-N 0 3 283.387 3.560 20 10 CHCDHN C[C@@H]([NH2+]CCCNc1ccccc1)c1ccccc1[O-] ZINC000183520151 1126887344 /nfs/dbraw/zinc/88/73/44/1126887344.db2.gz NLXKPPNGZDWPOD-CQSZACIVSA-N 0 3 270.376 3.545 20 10 CHCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1ccccc1F ZINC000183534699 1126888993 /nfs/dbraw/zinc/88/89/93/1126888993.db2.gz XOEPOMDZRLNLRS-STQMWFEESA-N 0 3 289.350 3.649 20 10 CHCDHN C[C@@H](NC1(c2ccccc2F)CC1)c1ccccc1O ZINC000183660986 1126889702 /nfs/dbraw/zinc/88/97/02/1126889702.db2.gz CMAPTBVBYUDBKH-GFCCVEGCSA-N 0 3 271.335 3.871 20 10 CHCDHN CSCc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000188974677 1126926908 /nfs/dbraw/zinc/92/69/08/1126926908.db2.gz ADEPSBRRPSNVFE-UHFFFAOYSA-N 0 3 291.391 3.684 20 10 CHCDHN CC[C@@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000268044512 1127010454 /nfs/dbraw/zinc/01/04/54/1127010454.db2.gz PSNZUCROEWQYLS-HNNXBMFYSA-N 0 3 299.414 3.557 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000271198800 1127072557 /nfs/dbraw/zinc/07/25/57/1127072557.db2.gz AZLQSNPHHLLBCD-KDOFPFPSSA-N 0 3 297.398 3.716 20 10 CHCDHN CC1(C)CCC[N@@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237119563 1131053757 /nfs/dbraw/zinc/05/37/57/1131053757.db2.gz IWDAELKOHIMWNG-UHFFFAOYSA-N 0 3 289.297 3.665 20 10 CHCDHN CC1(C)CCC[N@H+]1Cc1c([O-])cccc1OC(F)(F)F ZINC001237119563 1131053763 /nfs/dbraw/zinc/05/37/63/1131053763.db2.gz IWDAELKOHIMWNG-UHFFFAOYSA-N 0 3 289.297 3.665 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)c1ccccc1[O-] ZINC000156415899 1127154935 /nfs/dbraw/zinc/15/49/35/1127154935.db2.gz FNIPOUOUUCNGSN-NOLJZWGESA-N 0 3 289.375 3.538 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2C)cc1Br ZINC001237675779 1131126434 /nfs/dbraw/zinc/12/64/34/1131126434.db2.gz ARKJMKXJSUXCKV-LLVKDONJSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C)cc1Br ZINC001237675779 1131126436 /nfs/dbraw/zinc/12/64/36/1131126436.db2.gz ARKJMKXJSUXCKV-LLVKDONJSA-N 0 3 298.224 3.838 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000285293283 1127221493 /nfs/dbraw/zinc/22/14/93/1127221493.db2.gz RTRAVUKIILJEEH-HRCADAONSA-N 0 3 291.435 3.865 20 10 CHCDHN COCC(C)(C)CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000287217971 1127297459 /nfs/dbraw/zinc/29/74/59/1127297459.db2.gz XIGBQXAQWIDCHA-GFCCVEGCSA-N 0 3 283.387 3.635 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCc2cccc(C)n2)c([O-])c1 ZINC000287545681 1127309871 /nfs/dbraw/zinc/30/98/71/1127309871.db2.gz PNXFURWYRGADGO-OAHLLOKOSA-N 0 3 284.403 3.687 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000226562060 1127410771 /nfs/dbraw/zinc/41/07/71/1127410771.db2.gz FGOZTPPCEIGIGN-MRXNPFEDSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000226562060 1127410774 /nfs/dbraw/zinc/41/07/74/1127410774.db2.gz FGOZTPPCEIGIGN-MRXNPFEDSA-N 0 3 271.335 3.868 20 10 CHCDHN CC[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226611044 1127412491 /nfs/dbraw/zinc/41/24/91/1127412491.db2.gz WBYQVJGSCGGRNO-FZMZJTMJSA-N 0 3 251.345 3.590 20 10 CHCDHN CC[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226611039 1127412513 /nfs/dbraw/zinc/41/25/13/1127412513.db2.gz WBYQVJGSCGGRNO-RISCZKNCSA-N 0 3 251.345 3.590 20 10 CHCDHN CCn1cc([C@H](C)NCc2c(C)c3ccccc3n2C)cn1 ZINC000359008164 1127444362 /nfs/dbraw/zinc/44/43/62/1127444362.db2.gz WDBCZQYKHKYBHR-AWEZNQCLSA-N 0 3 296.418 3.554 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000360697802 1127506618 /nfs/dbraw/zinc/50/66/18/1127506618.db2.gz IYZLLBXHXMBBEW-GMBSWORKSA-N 0 3 297.398 3.821 20 10 CHCDHN CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000228561073 1127567685 /nfs/dbraw/zinc/56/76/85/1127567685.db2.gz NXINYKQWLNIJMG-CYBMUJFWSA-N 0 3 283.799 3.819 20 10 CHCDHN CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000228561073 1127567688 /nfs/dbraw/zinc/56/76/88/1127567688.db2.gz NXINYKQWLNIJMG-CYBMUJFWSA-N 0 3 283.799 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CCC2CCCC2)c1[O-] ZINC000228670322 1127582812 /nfs/dbraw/zinc/58/28/12/1127582812.db2.gz KJCWCHAVUGYHLG-UHFFFAOYSA-N 0 3 283.799 3.724 20 10 CHCDHN CCC1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCOCC1 ZINC000294558960 1127583130 /nfs/dbraw/zinc/58/31/30/1127583130.db2.gz BHCNDNXCBGBJAI-OAHLLOKOSA-N 0 3 291.435 3.866 20 10 CHCDHN CCC[C@@H](CC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228673657 1127584187 /nfs/dbraw/zinc/58/41/87/1127584187.db2.gz HULMTFRSMFTJQG-GFCCVEGCSA-N 0 3 271.788 3.723 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(CF)CC1 ZINC000295080982 1127619055 /nfs/dbraw/zinc/61/90/55/1127619055.db2.gz QJYLQMUABGIZML-UHFFFAOYSA-N 0 3 273.351 3.727 20 10 CHCDHN CC(C)Oc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296028849 1127661204 /nfs/dbraw/zinc/66/12/04/1127661204.db2.gz PZRSEYNYGHPIBP-MRXNPFEDSA-N 0 3 297.398 3.957 20 10 CHCDHN CCO[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000296584084 1127676687 /nfs/dbraw/zinc/67/66/87/1127676687.db2.gz WGSHXXYLUKZNAW-SJLPKXTDSA-N 0 3 297.398 3.747 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)CC(F)(F)F)c1ccccc1[O-] ZINC000229578873 1127696588 /nfs/dbraw/zinc/69/65/88/1127696588.db2.gz JIYZDTFYWZJIDA-KOLCDFICSA-N 0 3 261.287 3.774 20 10 CHCDHN Cc1ncsc1C[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000172495979 1127766646 /nfs/dbraw/zinc/76/66/46/1127766646.db2.gz RYLUKNFVEPVBSN-UHFFFAOYSA-N 0 3 298.411 3.942 20 10 CHCDHN Cc1ncsc1C[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000172495979 1127766650 /nfs/dbraw/zinc/76/66/50/1127766650.db2.gz RYLUKNFVEPVBSN-UHFFFAOYSA-N 0 3 298.411 3.942 20 10 CHCDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cc(C)ccc1O)CO2 ZINC000373265107 1127830753 /nfs/dbraw/zinc/83/07/53/1127830753.db2.gz IDFLYKXCPCBUSJ-CZUORRHYSA-N 0 3 283.371 3.793 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccccc1[O-] ZINC000373446215 1127843797 /nfs/dbraw/zinc/84/37/97/1127843797.db2.gz BXEWNOJMKNOTMD-MSOLQXFVSA-N 0 3 296.414 3.620 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cnn(C2CCC2)c1 ZINC000924573858 1128105069 /nfs/dbraw/zinc/10/50/69/1128105069.db2.gz LDZGIHPGNKCTJA-AWEZNQCLSA-N 0 3 298.434 3.525 20 10 CHCDHN C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001168459215 1128142116 /nfs/dbraw/zinc/14/21/16/1128142116.db2.gz KUPXSGFSYWBVGU-STQMWFEESA-N 0 3 273.351 3.813 20 10 CHCDHN CC[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(C)cc1[O-] ZINC000926917221 1128202377 /nfs/dbraw/zinc/20/23/77/1128202377.db2.gz YTTHSCXIEPWPLU-KBAYOESNSA-N 0 3 289.419 3.701 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1[O-] ZINC000926946252 1128204657 /nfs/dbraw/zinc/20/46/57/1128204657.db2.gz AOHSJTQRMUSNTM-WCQGTBRESA-N 0 3 273.298 3.631 20 10 CHCDHN Cc1cnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000926954262 1128205935 /nfs/dbraw/zinc/20/59/35/1128205935.db2.gz IXGKTIHVRKSMKF-HNNXBMFYSA-N 0 3 283.419 3.615 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCSC3(CCC3)C1)CC2 ZINC000927039837 1128210667 /nfs/dbraw/zinc/21/06/67/1128210667.db2.gz SSQWVQPEGCKPKC-KBPBESRZSA-N 0 3 289.444 3.787 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCSC3(CCC3)C1)CC2 ZINC000927039840 1128211126 /nfs/dbraw/zinc/21/11/26/1128211126.db2.gz SSQWVQPEGCKPKC-ZIAGYGMSSA-N 0 3 289.444 3.787 20 10 CHCDHN Cc1cc(CN[C@H](c2ccccn2)C2CC2)ccc1N(C)C ZINC000932384109 1128407140 /nfs/dbraw/zinc/40/71/40/1128407140.db2.gz GFZHYBWBLQBPDB-IBGZPJMESA-N 0 3 295.430 3.697 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000763394896 1128432465 /nfs/dbraw/zinc/43/24/65/1128432465.db2.gz HFGOIWSDGURORX-OAHLLOKOSA-N 0 3 273.763 3.823 20 10 CHCDHN CC[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccccc1[O-] ZINC000154856688 1128580029 /nfs/dbraw/zinc/58/00/29/1128580029.db2.gz XFNPEQFBBOAKSG-MRXNPFEDSA-N 0 3 290.451 3.697 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000779034655 1128691645 /nfs/dbraw/zinc/69/16/45/1128691645.db2.gz ZEMIKUJOUFPOHF-SJKOYZFVSA-N 0 3 271.335 3.724 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000779034655 1128691647 /nfs/dbraw/zinc/69/16/47/1128691647.db2.gz ZEMIKUJOUFPOHF-SJKOYZFVSA-N 0 3 271.335 3.724 20 10 CHCDHN CCO[C@H](CC[NH2+][C@@H](C)c1ccc(C)cc1[O-])C(C)C ZINC000185625681 1117859965 /nfs/dbraw/zinc/85/99/65/1117859965.db2.gz NQLAJFCRNSUABY-WMLDXEAASA-N 0 3 279.424 3.802 20 10 CHCDHN COCCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000185753373 1117880358 /nfs/dbraw/zinc/88/03/58/1117880358.db2.gz IRZXYANTNVHFQZ-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179564968 1128748989 /nfs/dbraw/zinc/74/89/89/1128748989.db2.gz IDRDXRRRCOIDGZ-KRWDZBQOSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179564968 1128748991 /nfs/dbraw/zinc/74/89/91/1128748991.db2.gz IDRDXRRRCOIDGZ-KRWDZBQOSA-N 0 3 297.398 3.608 20 10 CHCDHN CS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000300418714 1118027940 /nfs/dbraw/zinc/02/79/40/1118027940.db2.gz AMZYEYRCACDFGT-WDBKCZKBSA-N 0 3 283.412 3.856 20 10 CHCDHN Cc1ccccc1CC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000237718415 1128753851 /nfs/dbraw/zinc/75/38/51/1128753851.db2.gz BMDSFFRLKOAWIG-UHFFFAOYSA-N 0 3 269.388 3.812 20 10 CHCDHN Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccccc1[O-] ZINC000237716544 1128754117 /nfs/dbraw/zinc/75/41/17/1128754117.db2.gz FTUCNKUIZRJZEK-UHFFFAOYSA-N 0 3 280.371 3.514 20 10 CHCDHN CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179878168 1118079665 /nfs/dbraw/zinc/07/96/65/1118079665.db2.gz NTSNHDCCFRJXHS-ZDUSSCGKSA-N 0 3 271.360 3.642 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1 ZINC000765608665 1118182202 /nfs/dbraw/zinc/18/22/02/1118182202.db2.gz ITJKZEZLNWNUOD-LLVKDONJSA-N 0 3 289.325 3.751 20 10 CHCDHN CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000188579844 1128763245 /nfs/dbraw/zinc/76/32/45/1128763245.db2.gz KDVTUMLJKOGUIC-LJQANCHMSA-N 0 3 299.414 3.555 20 10 CHCDHN CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000188579844 1128763247 /nfs/dbraw/zinc/76/32/47/1128763247.db2.gz KDVTUMLJKOGUIC-LJQANCHMSA-N 0 3 299.414 3.555 20 10 CHCDHN C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccccc1[O-] ZINC000179896300 1128764207 /nfs/dbraw/zinc/76/42/07/1128764207.db2.gz IOFAGQLNYJBMOC-LBPRGKRZSA-N 0 3 267.328 3.989 20 10 CHCDHN CCOc1ccc(O)c(CN(C)Cc2cccc(F)c2)c1 ZINC000160469285 1118431042 /nfs/dbraw/zinc/43/10/42/1118431042.db2.gz HLHJTKQWQAJMLJ-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000834906434 1118623675 /nfs/dbraw/zinc/62/36/75/1118623675.db2.gz WTLASZNENKMOIV-HOCLYGCPSA-N 0 3 277.408 3.558 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000051630693 1119059119 /nfs/dbraw/zinc/05/91/19/1119059119.db2.gz WSXKUPGFZAHXLX-CJNGLKHVSA-N 0 3 267.372 3.600 20 10 CHCDHN CC1(C)CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000226565725 1119161878 /nfs/dbraw/zinc/16/18/78/1119161878.db2.gz KDHVGUORLWZQDJ-UHFFFAOYSA-N 0 3 251.345 3.543 20 10 CHCDHN CC1(C)CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000226565725 1119161876 /nfs/dbraw/zinc/16/18/76/1119161876.db2.gz KDHVGUORLWZQDJ-UHFFFAOYSA-N 0 3 251.345 3.543 20 10 CHCDHN CCC(CC)(C[NH2+]Cc1cc(F)ccc1[O-])SC ZINC000226613186 1119225339 /nfs/dbraw/zinc/22/53/39/1119225339.db2.gz AFUNDZHBUDHYMB-UHFFFAOYSA-N 0 3 271.401 3.543 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000223238696 1119593036 /nfs/dbraw/zinc/59/30/36/1119593036.db2.gz DRFYWBXOVUIBRS-SWLSCSKDSA-N 0 3 253.345 3.730 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000179584510 1119751444 /nfs/dbraw/zinc/75/14/44/1119751444.db2.gz DKAZEJLOWUVRGO-DYVFJYSZSA-N 0 3 253.345 3.585 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000179584510 1119751448 /nfs/dbraw/zinc/75/14/48/1119751448.db2.gz DKAZEJLOWUVRGO-DYVFJYSZSA-N 0 3 253.345 3.585 20 10 CHCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccccc1[O-] ZINC000179576758 1119751853 /nfs/dbraw/zinc/75/18/53/1119751853.db2.gz YLCRFNSYHOGBER-RHSMWYFYSA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccccc1[O-] ZINC000179576758 1119751856 /nfs/dbraw/zinc/75/18/56/1119751856.db2.gz YLCRFNSYHOGBER-RHSMWYFYSA-N 0 3 267.372 3.770 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCCOc2ccccc2)c([O-])c1 ZINC000052092021 1119781569 /nfs/dbraw/zinc/78/15/69/1119781569.db2.gz NZQXZDQWIUIIIV-HNNXBMFYSA-N 0 3 285.387 3.820 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccccc1[O-] ZINC000154856579 1119830343 /nfs/dbraw/zinc/83/03/43/1119830343.db2.gz XFNPEQFBBOAKSG-INIZCTEOSA-N 0 3 290.451 3.697 20 10 CHCDHN C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1[O-] ZINC000376127970 1119840238 /nfs/dbraw/zinc/84/02/38/1119840238.db2.gz IJMFGQPJKINEMX-CQSZACIVSA-N 0 3 282.387 3.560 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708868061 1120040234 /nfs/dbraw/zinc/04/02/34/1120040234.db2.gz HNLMMZQAKBTRIK-HNNXBMFYSA-N 0 3 259.393 3.794 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708868061 1120040238 /nfs/dbraw/zinc/04/02/38/1120040238.db2.gz HNLMMZQAKBTRIK-HNNXBMFYSA-N 0 3 259.393 3.794 20 10 CHCDHN CCSCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000167455386 1120081023 /nfs/dbraw/zinc/08/10/23/1120081023.db2.gz BQLBDTATNNGIHP-RYUDHWBXSA-N 0 3 253.411 3.575 20 10 CHCDHN CCc1cnccc1[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921964082 1120307744 /nfs/dbraw/zinc/30/77/44/1120307744.db2.gz NQMRJUUHUDXLGF-CQSZACIVSA-N 0 3 296.414 3.820 20 10 CHCDHN CCO[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])C(C)C ZINC000185625810 1120380071 /nfs/dbraw/zinc/38/00/71/1120380071.db2.gz VAZNXVKRZLNBOH-BLLLJJGKSA-N 0 3 283.387 3.633 20 10 CHCDHN CCOC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCCC1 ZINC000312325503 1120383968 /nfs/dbraw/zinc/38/39/68/1120383968.db2.gz GTRALQHLPVLUBV-CQSZACIVSA-N 0 3 277.408 3.701 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)c([O-])c1 ZINC000185829233 1120386648 /nfs/dbraw/zinc/38/66/48/1120386648.db2.gz ADJGUEVBYKQSQR-YOEHRIQHSA-N 0 3 291.435 3.683 20 10 CHCDHN C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756496700 1120387672 /nfs/dbraw/zinc/38/76/72/1120387672.db2.gz XLDOYJKZEXYRJY-OLZOCXBDSA-N 0 3 289.350 3.649 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000186826601 1120406210 /nfs/dbraw/zinc/40/62/10/1120406210.db2.gz FWPZYJXBHUORFR-QRTARXTBSA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000922665543 1120574039 /nfs/dbraw/zinc/57/40/39/1120574039.db2.gz NTUILFUPPBZOFQ-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN CSC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCC1 ZINC000193806066 1120582393 /nfs/dbraw/zinc/58/23/93/1120582393.db2.gz NLNYXORYIMWKMC-LBPRGKRZSA-N 0 3 265.422 3.637 20 10 CHCDHN COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020096747 1120583809 /nfs/dbraw/zinc/58/38/09/1120583809.db2.gz BTASRJDHHMNLDA-OLZOCXBDSA-N 0 3 271.360 3.813 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000186569606 1120585949 /nfs/dbraw/zinc/58/59/49/1120585949.db2.gz SAEBBPBEDXZSEW-PWSUYJOCSA-N 0 3 276.405 3.611 20 10 CHCDHN C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000186578926 1120598434 /nfs/dbraw/zinc/59/84/34/1120598434.db2.gz FUKXONQOWUNXQM-AWEZNQCLSA-N 0 3 267.372 3.818 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1Cc2cccc(Cl)c2C1 ZINC001168739270 1120651965 /nfs/dbraw/zinc/65/19/65/1120651965.db2.gz NMQCZCJLPGDKHX-AWEZNQCLSA-N 0 3 287.790 3.645 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1Cc2cccc(Cl)c2C1 ZINC001168739270 1120651967 /nfs/dbraw/zinc/65/19/67/1120651967.db2.gz NMQCZCJLPGDKHX-AWEZNQCLSA-N 0 3 287.790 3.645 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282433088 1120660796 /nfs/dbraw/zinc/66/07/96/1120660796.db2.gz DIFXBECJSGXGDL-RHSMWYFYSA-N 0 3 289.419 3.701 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1F)c1cc(F)ccc1[O-] ZINC000094616732 1121086445 /nfs/dbraw/zinc/08/64/45/1121086445.db2.gz QKXIMNQMDQLUBP-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cccc(COC)c1)c1ccccc1[O-] ZINC000038010506 1121094843 /nfs/dbraw/zinc/09/48/43/1121094843.db2.gz RLHXELWMTKSPEU-QGZVFWFLSA-N 0 3 285.387 3.780 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](OC)C1CCCC1)c1ccccc1[O-] ZINC000703128690 1121236237 /nfs/dbraw/zinc/23/62/37/1121236237.db2.gz PDWOULSTTKCVPD-RDJZCZTQSA-N 0 3 277.408 3.638 20 10 CHCDHN CCC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000708480830 1121464285 /nfs/dbraw/zinc/46/42/85/1121464285.db2.gz MCKWZUOQDWKOGI-CQSZACIVSA-N 0 3 277.408 3.803 20 10 CHCDHN CCC[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000708480830 1121464290 /nfs/dbraw/zinc/46/42/90/1121464290.db2.gz MCKWZUOQDWKOGI-CQSZACIVSA-N 0 3 277.408 3.803 20 10 CHCDHN CCC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000708480829 1121464778 /nfs/dbraw/zinc/46/47/78/1121464778.db2.gz MCKWZUOQDWKOGI-AWEZNQCLSA-N 0 3 277.408 3.803 20 10 CHCDHN CCC[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000708480829 1121464781 /nfs/dbraw/zinc/46/47/81/1121464781.db2.gz MCKWZUOQDWKOGI-AWEZNQCLSA-N 0 3 277.408 3.803 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1[O-] ZINC000709496878 1121470824 /nfs/dbraw/zinc/47/08/24/1121470824.db2.gz BOWIYYZXVZHCMW-KGLIPLIRSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000182790982 1128997044 /nfs/dbraw/zinc/99/70/44/1128997044.db2.gz XZCCCKDIQWNOPN-HIFRSBDPSA-N 0 3 267.372 3.773 20 10 CHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCCC1 ZINC000182937363 1129012305 /nfs/dbraw/zinc/01/23/05/1129012305.db2.gz PLYXKPPWESOIJL-UHFFFAOYSA-N 0 3 283.371 3.567 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOCC1CC1 ZINC000731041021 1121845254 /nfs/dbraw/zinc/84/52/54/1121845254.db2.gz LAFLJARISWQJLG-UHFFFAOYSA-N 0 3 297.398 3.575 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1[O-] ZINC000797127925 1121845843 /nfs/dbraw/zinc/84/58/43/1121845843.db2.gz HOGHVZRBVGBDAM-DFAYQTQMSA-N 0 3 298.224 3.912 20 10 CHCDHN CC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@@H](C)O1 ZINC000732184553 1121910202 /nfs/dbraw/zinc/91/02/02/1121910202.db2.gz CLZUIKMRSMHBPQ-ZBFHGGJFSA-N 0 3 291.435 3.823 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001180141994 1121950614 /nfs/dbraw/zinc/95/06/14/1121950614.db2.gz KFTXUQVVSIKOMQ-RDTXWAMCSA-N 0 3 267.372 3.894 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001180141994 1121950620 /nfs/dbraw/zinc/95/06/20/1121950620.db2.gz KFTXUQVVSIKOMQ-RDTXWAMCSA-N 0 3 267.372 3.894 20 10 CHCDHN C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278720 1122011222 /nfs/dbraw/zinc/01/12/22/1122011222.db2.gz JBQSHTKHCLOVSN-LLVKDONJSA-N 0 3 291.778 3.944 20 10 CHCDHN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278720 1122011225 /nfs/dbraw/zinc/01/12/25/1122011225.db2.gz JBQSHTKHCLOVSN-LLVKDONJSA-N 0 3 291.778 3.944 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000192750311 1129033962 /nfs/dbraw/zinc/03/39/62/1129033962.db2.gz CECMRCFHFWYCPS-DOMZBBRYSA-N 0 3 299.370 3.923 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC001182929924 1122198637 /nfs/dbraw/zinc/19/86/37/1122198637.db2.gz PMKXXHFWVOEVRB-ZDUSSCGKSA-N 0 3 298.224 3.741 20 10 CHCDHN Cc1ccc(C[NH+]2CC([C@H]3CCC[C@H](C)C3)C2)c([O-])c1 ZINC001183441910 1122224062 /nfs/dbraw/zinc/22/40/62/1122224062.db2.gz BDDMGHRZCZOZPG-ZFWWWQNUSA-N 0 3 273.420 3.959 20 10 CHCDHN C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000273535739 1122237155 /nfs/dbraw/zinc/23/71/55/1122237155.db2.gz XGEOOKHBWVOHOL-GFCCVEGCSA-N 0 3 271.335 3.871 20 10 CHCDHN CC[C@H]([NH2+]CCN(C)c1ccccc1)c1ccccc1[O-] ZINC000183327159 1129044845 /nfs/dbraw/zinc/04/48/45/1129044845.db2.gz VPNBGFGZCSDYAP-KRWDZBQOSA-N 0 3 284.403 3.569 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC001203602259 1122303139 /nfs/dbraw/zinc/30/31/39/1122303139.db2.gz LSTGZLFKRPTXRI-KGLIPLIRSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC001203602259 1122303147 /nfs/dbraw/zinc/30/31/47/1122303147.db2.gz LSTGZLFKRPTXRI-KGLIPLIRSA-N 0 3 277.408 3.659 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)c1ccccc1 ZINC000183419210 1129053535 /nfs/dbraw/zinc/05/35/35/1129053535.db2.gz DOZBMEWVSPJCRK-CABCVRRESA-N 0 3 284.403 3.568 20 10 CHCDHN C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183438763 1129055287 /nfs/dbraw/zinc/05/52/87/1129055287.db2.gz JDIHTDPETNYSAQ-CHWSQXEVSA-N 0 3 273.351 3.813 20 10 CHCDHN COc1cc(CC[NH2+][C@H](C)c2ccccc2[O-])ccc1C ZINC000183527569 1129060837 /nfs/dbraw/zinc/06/08/37/1129060837.db2.gz IKSYXEKHGLDXGU-CQSZACIVSA-N 0 3 285.387 3.603 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001205540576 1122553745 /nfs/dbraw/zinc/55/37/45/1122553745.db2.gz IXLSKIXZZVIACI-JCNLHEQBSA-N 0 3 285.362 3.876 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000775487489 1122618635 /nfs/dbraw/zinc/61/86/35/1122618635.db2.gz CHYMYUQCQRVMGS-RHSMWYFYSA-N 0 3 297.398 3.684 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1[O-] ZINC000775500900 1122629996 /nfs/dbraw/zinc/62/99/96/1122629996.db2.gz MEVMGYNDPFVXMK-MRXNPFEDSA-N 0 3 283.371 3.568 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1ccccc1[O-] ZINC000775512919 1122634946 /nfs/dbraw/zinc/63/49/46/1122634946.db2.gz SMQFKGPFSHXQFH-BBRMVZONSA-N 0 3 270.376 3.632 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccnc(SC)c1)c1ccccc1[O-] ZINC000775519186 1122637717 /nfs/dbraw/zinc/63/77/17/1122637717.db2.gz JDVBDVDQFJPQHP-AWEZNQCLSA-N 0 3 288.416 3.750 20 10 CHCDHN CC[C@H](N[C@H](C)c1nc(C)cs1)c1ccccc1O ZINC000080274516 1129079948 /nfs/dbraw/zinc/07/99/48/1129079948.db2.gz KQAWFOGNMUGMMF-YPMHNXCESA-N 0 3 276.405 3.959 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C)c1[O-] ZINC000775639256 1122844585 /nfs/dbraw/zinc/84/45/85/1122844585.db2.gz RIQKRZJLUZXCID-NSHDSACASA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C)c1[O-] ZINC000775639256 1122844586 /nfs/dbraw/zinc/84/45/86/1122844586.db2.gz RIQKRZJLUZXCID-NSHDSACASA-N 0 3 253.773 3.728 20 10 CHCDHN COc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2ccccc2)c1 ZINC000775662347 1122875437 /nfs/dbraw/zinc/87/54/37/1122875437.db2.gz WJHGZBVENCJASB-SFHVURJKSA-N 0 3 297.398 3.984 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1[O-] ZINC000775702544 1122913327 /nfs/dbraw/zinc/91/33/27/1122913327.db2.gz RZDMJBLKPBJJJA-WDEREUQCSA-N 0 3 285.840 3.680 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000775716553 1122921169 /nfs/dbraw/zinc/92/11/69/1122921169.db2.gz XQOWBYHXVDIISE-ONGXEEELSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000775716553 1122921172 /nfs/dbraw/zinc/92/11/72/1122921172.db2.gz XQOWBYHXVDIISE-ONGXEEELSA-N 0 3 253.773 3.584 20 10 CHCDHN C[C@@H](CO)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776002604 1123035069 /nfs/dbraw/zinc/03/50/69/1123035069.db2.gz GGWQZZKIGGHXHD-HZPDHXFCSA-N 0 3 299.414 3.584 20 10 CHCDHN C[C@@H](CO)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000776002604 1123035072 /nfs/dbraw/zinc/03/50/72/1123035072.db2.gz GGWQZZKIGGHXHD-HZPDHXFCSA-N 0 3 299.414 3.584 20 10 CHCDHN CN(C)c1ccc(CNCc2ccc3[nH]ccc3c2)cc1F ZINC001199864429 1123043138 /nfs/dbraw/zinc/04/31/38/1123043138.db2.gz KRJKDAIIWBCUNQ-UHFFFAOYSA-N 0 3 297.377 3.663 20 10 CHCDHN Cc1cccc(CN[C@H]2CSc3ccccc32)c1O ZINC000776208088 1123148289 /nfs/dbraw/zinc/14/82/89/1123148289.db2.gz VSVRFGDLKPGXJF-AWEZNQCLSA-N 0 3 271.385 3.637 20 10 CHCDHN COc1cc(CNCc2ccoc2)c(O)c(C(C)(C)C)c1 ZINC000850069952 1123240144 /nfs/dbraw/zinc/24/01/44/1123240144.db2.gz FXVNWCDLPKZDTA-UHFFFAOYSA-N 0 3 289.375 3.581 20 10 CHCDHN Cc1cccc2[nH]c(CNCc3ccc4c(c3)CCO4)cc21 ZINC000850111056 1123243313 /nfs/dbraw/zinc/24/33/13/1123243313.db2.gz DGYSIUVGTANZMC-UHFFFAOYSA-N 0 3 292.382 3.701 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000850492207 1123273907 /nfs/dbraw/zinc/27/39/07/1123273907.db2.gz BQKLXRZMJRZHAS-GDBMZVCRSA-N 0 3 290.451 3.614 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850510678 1123277948 /nfs/dbraw/zinc/27/79/48/1123277948.db2.gz WEXZPLARJXEVSE-ZYHUDNBSSA-N 0 3 296.208 3.832 20 10 CHCDHN C[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000850527623 1123283253 /nfs/dbraw/zinc/28/32/53/1123283253.db2.gz AYPSYUFURNHUMF-FASAQXTFSA-N 0 3 296.414 3.582 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccccc1[O-] ZINC000850553988 1123290795 /nfs/dbraw/zinc/29/07/95/1123290795.db2.gz GBPFMNUOKWOELP-MRFVTOPCSA-N 0 3 265.372 3.960 20 10 CHCDHN CC[C@H]([NH2+]CCCc1ccco1)c1ccccc1[O-] ZINC000850569421 1123294492 /nfs/dbraw/zinc/29/44/92/1123294492.db2.gz DAUJCEQZNYSXTH-HNNXBMFYSA-N 0 3 259.349 3.659 20 10 CHCDHN C[C@H](O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850585148 1123296495 /nfs/dbraw/zinc/29/64/95/1123296495.db2.gz VXACVHRXNBQBFJ-YZVOILCLSA-N 0 3 298.430 3.525 20 10 CHCDHN C[C@@H]1SCCN(C/C=C/c2ccc(N(C)C)cc2)[C@H]1C ZINC001204768500 1123419968 /nfs/dbraw/zinc/41/99/68/1123419968.db2.gz JTMQJDLPADYMKL-WHJWBVKISA-N 0 3 290.476 3.592 20 10 CHCDHN CCCSC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000895852376 1123522708 /nfs/dbraw/zinc/52/27/08/1123522708.db2.gz ULPLQFVTEOAOOR-NWDGAFQWSA-N 0 3 253.411 3.575 20 10 CHCDHN CN(C)c1ccc(CNCc2cc3ccccc3[nH]2)cc1F ZINC000113330881 1123521346 /nfs/dbraw/zinc/52/13/46/1123521346.db2.gz RXLRGFMJZHTGCY-UHFFFAOYSA-N 0 3 297.377 3.663 20 10 CHCDHN CSC1CCC(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000896253635 1123565710 /nfs/dbraw/zinc/56/57/10/1123565710.db2.gz COCKNYMNBDGWFX-UHFFFAOYSA-N 0 3 279.449 3.712 20 10 CHCDHN CSC1CCC(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000896255591 1123566462 /nfs/dbraw/zinc/56/64/62/1123566462.db2.gz PURLGBRSBDWSRX-UHFFFAOYSA-N 0 3 279.449 3.712 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CO)CCC(C)C)c1ccc(C)cc1[O-] ZINC000858486633 1123657465 /nfs/dbraw/zinc/65/74/65/1123657465.db2.gz XSCFBRHRYDUKDG-ZBFHGGJFSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CO)CCC(C)C)c1ccc(C)cc1[O-] ZINC000858486630 1123657508 /nfs/dbraw/zinc/65/75/08/1123657508.db2.gz XSCFBRHRYDUKDG-GDBMZVCRSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+][C@H](CO)CCC(C)C)c1ccc(C)cc1[O-] ZINC000858486632 1123657639 /nfs/dbraw/zinc/65/76/39/1123657639.db2.gz XSCFBRHRYDUKDG-HOCLYGCPSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1ccc(C(C)(C)C[NH2+][C@H]2CCc3cccc([O-])c32)nc1 ZINC000858487795 1123657699 /nfs/dbraw/zinc/65/76/99/1123657699.db2.gz IPCSARFWOPTALP-HNNXBMFYSA-N 0 3 296.414 3.650 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C2Cc3ccccc3C2)c([O-])c1 ZINC000184005898 1129145235 /nfs/dbraw/zinc/14/52/35/1129145235.db2.gz LEQIITBBBNKGMR-CYBMUJFWSA-N 0 3 267.372 3.519 20 10 CHCDHN COc1ccc(C[NH2+]C[C@H](C)c2ccc(C)cc2)c([O-])c1 ZINC000119687400 1123901065 /nfs/dbraw/zinc/90/10/65/1123901065.db2.gz QDEVESOEFBURNF-AWEZNQCLSA-N 0 3 285.387 3.603 20 10 CHCDHN CC[N@H+](Cc1ccccn1)Cc1c([O-])ccc2ccccc21 ZINC000084481334 1129153466 /nfs/dbraw/zinc/15/34/66/1129153466.db2.gz BFDKCQYNYHEWPT-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccn1)Cc1c([O-])ccc2ccccc21 ZINC000084481334 1129153467 /nfs/dbraw/zinc/15/34/67/1129153467.db2.gz BFDKCQYNYHEWPT-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(C)o1)c1ccc(C)cc1[O-] ZINC000794797837 1123950285 /nfs/dbraw/zinc/95/02/85/1123950285.db2.gz PXUVFRSFQANKBJ-MRXNPFEDSA-N 0 3 273.376 3.885 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(C)cc1[O-] ZINC000794798640 1123950813 /nfs/dbraw/zinc/95/08/13/1123950813.db2.gz XNKVGSIDHHKRGE-NVXWUHKLSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]CCCOCC(C)C)c1ccc(C)cc1[O-] ZINC000794794002 1123951286 /nfs/dbraw/zinc/95/12/86/1123951286.db2.gz PAOWLDLICYGFIG-MRXNPFEDSA-N 0 3 279.424 3.804 20 10 CHCDHN CCCCOCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794803526 1123952308 /nfs/dbraw/zinc/95/23/08/1123952308.db2.gz JNZDPMZFIVSKST-OAHLLOKOSA-N 0 3 265.397 3.558 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794805587 1123954040 /nfs/dbraw/zinc/95/40/40/1123954040.db2.gz XTEHFXKUPWJUST-HIFRSBDPSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1ccc(C)cc1[O-] ZINC000794816501 1123957987 /nfs/dbraw/zinc/95/79/87/1123957987.db2.gz NQLWQKSLRPYPTE-DOTOQJQBSA-N 0 3 293.451 3.784 20 10 CHCDHN COC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCC(C)CC1 ZINC000794836547 1123971656 /nfs/dbraw/zinc/97/16/56/1123971656.db2.gz UAHNAWPDOACYFL-UIORMTCPSA-N 0 3 295.398 3.777 20 10 CHCDHN Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])s1 ZINC000866455467 1124068421 /nfs/dbraw/zinc/06/84/21/1124068421.db2.gz LUNYBMCKXYSGAN-RKDXNWHRSA-N 0 3 280.368 3.708 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)o1 ZINC000866479099 1124070986 /nfs/dbraw/zinc/07/09/86/1124070986.db2.gz PSMYDFVTNXTZJQ-ZANVPECISA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000866479099 1124070991 /nfs/dbraw/zinc/07/09/91/1124070991.db2.gz PSMYDFVTNXTZJQ-ZANVPECISA-N 0 3 275.323 3.771 20 10 CHCDHN C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866480625 1124071106 /nfs/dbraw/zinc/07/11/06/1124071106.db2.gz GNJYAKDBQHCUQL-RHSMWYFYSA-N 0 3 289.419 3.782 20 10 CHCDHN COc1ccc(O)c(CN[C@@H](C)c2cc3ccccc3o2)c1 ZINC000122074403 1124464649 /nfs/dbraw/zinc/46/46/49/1124464649.db2.gz PDUNECOICNXOGJ-LBPRGKRZSA-N 0 3 297.354 3.998 20 10 CHCDHN CC(C)OC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000872114945 1124686933 /nfs/dbraw/zinc/68/69/33/1124686933.db2.gz FGOJBEQQOOSILA-GFCCVEGCSA-N 0 3 281.371 3.530 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872259636 1124699641 /nfs/dbraw/zinc/69/96/41/1124699641.db2.gz ZLCPRBVJJWNQQC-MRXNPFEDSA-N 0 3 289.419 3.624 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872259636 1124699649 /nfs/dbraw/zinc/69/96/49/1124699649.db2.gz ZLCPRBVJJWNQQC-MRXNPFEDSA-N 0 3 289.419 3.624 20 10 CHCDHN CCCOc1ccc(CNCc2cccc(O)c2)cc1C ZINC000873036207 1124733720 /nfs/dbraw/zinc/73/37/20/1124733720.db2.gz PJODXOXJSVPHOT-UHFFFAOYSA-N 0 3 285.387 3.779 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1CNc3ccccc31)CC2 ZINC000873238271 1124754845 /nfs/dbraw/zinc/75/48/45/1124754845.db2.gz YWYXDRDEDIKEOW-PBHICJAKSA-N 0 3 294.398 3.569 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2F)c([O-])c1 ZINC000020088795 1124805677 /nfs/dbraw/zinc/80/56/77/1124805677.db2.gz SPJMPBMDTWKRNC-CYBMUJFWSA-N 0 3 273.351 3.733 20 10 CHCDHN CCC(CC)[C@H](C[NH2+][C@@H](CC)c1ccccc1[O-])N(C)C ZINC000021036363 1124892062 /nfs/dbraw/zinc/89/20/62/1124892062.db2.gz WHNCVMAIPKREHR-IRXDYDNUSA-N 0 3 292.467 3.799 20 10 CHCDHN CC[C@@H](NCc1ccc(C)cc1O)c1nc(C)cs1 ZINC000877025515 1125000065 /nfs/dbraw/zinc/00/00/65/1125000065.db2.gz MTSWGHOKPBJINF-CYBMUJFWSA-N 0 3 276.405 3.706 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cc1Cl ZINC000825943687 1125016918 /nfs/dbraw/zinc/01/69/18/1125016918.db2.gz ICNAORPGZAGYCI-SNVBAGLBSA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1Cl ZINC000825943687 1125016926 /nfs/dbraw/zinc/01/69/26/1125016926.db2.gz ICNAORPGZAGYCI-SNVBAGLBSA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000877376543 1125024410 /nfs/dbraw/zinc/02/44/10/1125024410.db2.gz JLMJIBWXKHVIMQ-VQIMIIECSA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1nc([C@H]2CCCN2Cc2c(C)cccc2O)cs1 ZINC000877409197 1125026991 /nfs/dbraw/zinc/02/69/91/1125026991.db2.gz ZDTHFHSWUWIOIN-OAHLLOKOSA-N 0 3 288.416 3.803 20 10 CHCDHN Cc1cccc(O)c1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000877548693 1125042901 /nfs/dbraw/zinc/04/29/01/1125042901.db2.gz RIUVIMCIOMSHFK-KRWDZBQOSA-N 0 3 282.387 3.679 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000877702919 1125066655 /nfs/dbraw/zinc/06/66/55/1125066655.db2.gz JZXKFAAQDQFZOF-CVEARBPZSA-N 0 3 265.356 3.512 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000877702919 1125066658 /nfs/dbraw/zinc/06/66/58/1125066658.db2.gz JZXKFAAQDQFZOF-CVEARBPZSA-N 0 3 265.356 3.512 20 10 CHCDHN C[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccccc1[O-] ZINC000877755417 1125072326 /nfs/dbraw/zinc/07/23/26/1125072326.db2.gz AJLDYQCNPOHARR-SNVBAGLBSA-N 0 3 274.389 3.577 20 10 CHCDHN Cc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000877756359 1125072539 /nfs/dbraw/zinc/07/25/39/1125072539.db2.gz IILBCEIPBFBBOT-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN CCOc1cc(F)cc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000877756861 1125074708 /nfs/dbraw/zinc/07/47/08/1125074708.db2.gz BFQJRACPDINWSM-GFCCVEGCSA-N 0 3 289.350 3.781 20 10 CHCDHN Cc1ccc(CN[C@@H](C)c2ccccc2O)nc1Cl ZINC000879650177 1125223685 /nfs/dbraw/zinc/22/36/85/1125223685.db2.gz NDHGPXVLXSGCOB-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])nc1Cl ZINC000879650177 1125223688 /nfs/dbraw/zinc/22/36/88/1125223688.db2.gz NDHGPXVLXSGCOB-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN CCOc1ccc(C[NH2+]CC(C)(C)CC(F)F)c([O-])c1 ZINC000883252037 1125385225 /nfs/dbraw/zinc/38/52/25/1125385225.db2.gz ONKPFECCACYCQA-UHFFFAOYSA-N 0 3 287.350 3.562 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)CC2 ZINC000883274704 1125390739 /nfs/dbraw/zinc/39/07/39/1125390739.db2.gz RYQUPEPIWQVJBW-QWHCGFSZSA-N 0 3 281.346 3.795 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])[C@H]1CCCOC1 ZINC000883353280 1125400403 /nfs/dbraw/zinc/40/04/03/1125400403.db2.gz RNIGAGAPSNQZEG-UAGQMJEPSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@@H](NCc1scnc1C)c1ccc(N(C)C)cc1 ZINC000132427540 1125418158 /nfs/dbraw/zinc/41/81/58/1125418158.db2.gz JDTPNTQNUUCBBC-OAHLLOKOSA-N 0 3 289.448 3.758 20 10 CHCDHN Cc1ccc(O)c(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000245555006 1129211824 /nfs/dbraw/zinc/21/18/24/1129211824.db2.gz HVCFHJHLHWILHV-DNVCBOLYSA-N 0 3 297.398 3.663 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(Cl)cc1)CC2 ZINC000295829080 1129219851 /nfs/dbraw/zinc/21/98/51/1129219851.db2.gz DWCXKQCCKUSZHF-CQSZACIVSA-N 0 3 273.763 3.823 20 10 CHCDHN Cc1cccc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000245871435 1129230477 /nfs/dbraw/zinc/23/04/77/1129230477.db2.gz RQYPLEIQMWUURB-CRAIPNDOSA-N 0 3 297.398 3.663 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccccc2F)c1 ZINC000037764025 1129266918 /nfs/dbraw/zinc/26/69/18/1129266918.db2.gz AAZYFEFHCYGLKS-VXGBXAGGSA-N 0 3 289.350 3.952 20 10 CHCDHN CN(Cc1ccc(Cl)c(F)c1)Cc1ccccc1O ZINC000091974686 1129376495 /nfs/dbraw/zinc/37/64/95/1129376495.db2.gz HJMQYROXQWGUDI-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccccc1[O-] ZINC000091974686 1129376499 /nfs/dbraw/zinc/37/64/99/1129376499.db2.gz HJMQYROXQWGUDI-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccccc1[O-] ZINC000091974686 1129376503 /nfs/dbraw/zinc/37/65/03/1129376503.db2.gz HJMQYROXQWGUDI-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616933 1129448616 /nfs/dbraw/zinc/44/86/16/1129448616.db2.gz LAPWQKLJMSSDPI-RYUDHWBXSA-N 0 3 277.339 3.796 20 10 CHCDHN C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000796048052 1129465168 /nfs/dbraw/zinc/46/51/68/1129465168.db2.gz VQFDGAYZDHHQFM-SFHVURJKSA-N 0 3 285.362 3.695 20 10 CHCDHN C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000796048052 1129465170 /nfs/dbraw/zinc/46/51/70/1129465170.db2.gz VQFDGAYZDHHQFM-SFHVURJKSA-N 0 3 285.362 3.695 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)c2c1 ZINC000742166384 1129468618 /nfs/dbraw/zinc/46/86/18/1129468618.db2.gz MMBXONCPOFOWBZ-CALCHBBNSA-N 0 3 297.398 3.642 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)c2c1 ZINC000742166384 1129468620 /nfs/dbraw/zinc/46/86/20/1129468620.db2.gz MMBXONCPOFOWBZ-CALCHBBNSA-N 0 3 297.398 3.642 20 10 CHCDHN Cc1cc(O)c(CN[C@H]2CSc3ccccc32)cc1C ZINC000742371808 1129475395 /nfs/dbraw/zinc/47/53/95/1129475395.db2.gz FABOYFVIKUHSIB-HNNXBMFYSA-N 0 3 285.412 3.946 20 10 CHCDHN CC[N@H+](Cc1cc(C)cc(F)c1)Cc1ccccc1[O-] ZINC001143619612 1129482645 /nfs/dbraw/zinc/48/26/45/1129482645.db2.gz WKJUJDRZIYUDIC-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@@H+](Cc1cc(C)cc(F)c1)Cc1ccccc1[O-] ZINC001143619612 1129482648 /nfs/dbraw/zinc/48/26/48/1129482648.db2.gz WKJUJDRZIYUDIC-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]CCC1=CCCCCC1 ZINC000766467199 1129669304 /nfs/dbraw/zinc/66/93/04/1129669304.db2.gz GFKGADWUIVQGKT-UHFFFAOYSA-N 0 3 275.392 3.771 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1cccc(C)c1F ZINC001137678581 1131399065 /nfs/dbraw/zinc/39/90/65/1131399065.db2.gz ORSGQEOZHAXNCC-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CCc1ccc(CN(C)Cc2c(O)cccc2OC)cc1 ZINC000768162764 1129838400 /nfs/dbraw/zinc/83/84/00/1129838400.db2.gz IBFQEFNMXFVCNU-UHFFFAOYSA-N 0 3 285.387 3.595 20 10 CHCDHN CCN(CC)c1ccc(CN(C)Cc2cccnc2C)cc1 ZINC000768208150 1129840310 /nfs/dbraw/zinc/84/03/10/1129840310.db2.gz ODIFRDRFGJLFSV-UHFFFAOYSA-N 0 3 297.446 3.868 20 10 CHCDHN C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000382062169 1129854783 /nfs/dbraw/zinc/85/47/83/1129854783.db2.gz YGSKIYYXGBJKMU-SMDDNHRTSA-N 0 3 273.401 3.662 20 10 CHCDHN COc1ccc(C[NH2+][C@@H](C)[C@H]2CC3CCC2CC3)c([O-])c1 ZINC000382067726 1129854839 /nfs/dbraw/zinc/85/48/39/1129854839.db2.gz GVUSFELGDQJPSM-VBRUCIBASA-N 0 3 289.419 3.705 20 10 CHCDHN C[C@H](Cc1ccsc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000382062166 1129854949 /nfs/dbraw/zinc/85/49/49/1129854949.db2.gz YGSKIYYXGBJKMU-RISCZKNCSA-N 0 3 273.401 3.662 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cncc2ccccc21 ZINC000768873535 1129878106 /nfs/dbraw/zinc/87/81/06/1129878106.db2.gz PJGXDHZZQCHEHJ-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cncc2ccccc21 ZINC000768873535 1129878109 /nfs/dbraw/zinc/87/81/09/1129878109.db2.gz PJGXDHZZQCHEHJ-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c1[O-] ZINC000769164682 1129893244 /nfs/dbraw/zinc/89/32/44/1129893244.db2.gz KDKJBTWMFLMHOE-CQSZACIVSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H]2CC(C)(C)C)c1[O-] ZINC000769164682 1129893247 /nfs/dbraw/zinc/89/32/47/1129893247.db2.gz KDKJBTWMFLMHOE-CQSZACIVSA-N 0 3 277.408 3.801 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1[O-] ZINC000800987123 1129902922 /nfs/dbraw/zinc/90/29/22/1129902922.db2.gz QBNLTTZVCNTCEL-DOTOQJQBSA-N 0 3 297.398 3.827 20 10 CHCDHN CN(C)c1ccc(CN(C)Cc2cc3ccccc3[nH]2)cc1 ZINC000769484905 1129909854 /nfs/dbraw/zinc/90/98/54/1129909854.db2.gz ZMYWQJRQQKFTPV-UHFFFAOYSA-N 0 3 293.414 3.866 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000769506168 1129914032 /nfs/dbraw/zinc/91/40/32/1129914032.db2.gz NIYWPBHKUWHWGZ-KRWDZBQOSA-N 0 3 297.398 3.608 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)c([O-])c1 ZINC000769506168 1129914034 /nfs/dbraw/zinc/91/40/34/1129914034.db2.gz NIYWPBHKUWHWGZ-KRWDZBQOSA-N 0 3 297.398 3.608 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1N(C)C ZINC000769686895 1129920206 /nfs/dbraw/zinc/92/02/06/1129920206.db2.gz KKTLOWHXGFVDSU-AWEZNQCLSA-N 0 3 296.414 3.538 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@H](C)O1 ZINC000801594585 1129930797 /nfs/dbraw/zinc/93/07/97/1129930797.db2.gz GUKJFJLTGAGNIT-HOCLYGCPSA-N 0 3 277.408 3.562 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@H](C)O1 ZINC000801594585 1129930798 /nfs/dbraw/zinc/93/07/98/1129930798.db2.gz GUKJFJLTGAGNIT-HOCLYGCPSA-N 0 3 277.408 3.562 20 10 CHCDHN C[C@H]1c2c(F)cccc2CCN1Cc1ccccc1O ZINC000770509491 1129948966 /nfs/dbraw/zinc/94/89/66/1129948966.db2.gz AZDAJFLUMDAOOX-LBPRGKRZSA-N 0 3 271.335 3.651 20 10 CHCDHN CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000785978259 1130070648 /nfs/dbraw/zinc/07/06/48/1130070648.db2.gz SNTRQCPGVUVARL-GDBMZVCRSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000785978259 1130070653 /nfs/dbraw/zinc/07/06/53/1130070653.db2.gz SNTRQCPGVUVARL-GDBMZVCRSA-N 0 3 259.393 3.816 20 10 CHCDHN COc1ccc2c(c1)nccc2N(C)Cc1ccccc1O ZINC000786796901 1130118208 /nfs/dbraw/zinc/11/82/08/1130118208.db2.gz LWRXJHYYVSNEKU-UHFFFAOYSA-N 0 3 294.354 3.585 20 10 CHCDHN CC(C)c1ccc(O)c(CN2CCOC(C)(C)[C@@H]2C)c1 ZINC001461960126 1130139568 /nfs/dbraw/zinc/13/95/68/1130139568.db2.gz OFDUVOAMXURAGW-ZDUSSCGKSA-N 0 3 277.408 3.515 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)CC2 ZINC000903339763 1130162241 /nfs/dbraw/zinc/16/22/41/1130162241.db2.gz CWZILQKZPLDUNX-WCQYABFASA-N 0 3 281.346 3.795 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cnn(CC2CCC2)c1 ZINC000903403629 1130171151 /nfs/dbraw/zinc/17/11/51/1130171151.db2.gz DJDDPKZESQFBKW-KGLIPLIRSA-N 0 3 299.418 3.801 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)c([O-])c1 ZINC000788611369 1130195486 /nfs/dbraw/zinc/19/54/86/1130195486.db2.gz NAPGUYPMMZKJDE-HZPDHXFCSA-N 0 3 293.451 3.704 20 10 CHCDHN CN(C)c1ccc(CN[C@H]2c3ccccc3NC2(C)C)cc1 ZINC000903948574 1130211873 /nfs/dbraw/zinc/21/18/73/1130211873.db2.gz RPKXQOUWBJBRML-SFHVURJKSA-N 0 3 295.430 3.788 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccccc1[O-] ZINC000790499423 1130315075 /nfs/dbraw/zinc/31/50/75/1130315075.db2.gz WVOWPGKHRUNDJJ-RDJZCZTQSA-N 0 3 290.451 3.553 20 10 CHCDHN COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000747100306 1130517427 /nfs/dbraw/zinc/51/74/27/1130517427.db2.gz VOLYREUNBJAAIZ-KGLIPLIRSA-N 0 3 285.387 3.683 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CC[C@@]2(C)CC2(F)F)c1[O-] ZINC000827251412 1130529914 /nfs/dbraw/zinc/52/99/14/1130529914.db2.gz HJTNRXTVJGBOET-ZDUSSCGKSA-N 0 3 289.753 3.879 20 10 CHCDHN Cc1ccncc1CN(C)Cc1cc(Cl)cc(C)c1O ZINC000793342085 1130541618 /nfs/dbraw/zinc/54/16/18/1130541618.db2.gz WKBACKLIOIGHGB-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000793353339 1130543235 /nfs/dbraw/zinc/54/32/35/1130543235.db2.gz SAAIMCSGRBKDPU-CYBMUJFWSA-N 0 3 251.345 3.542 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000793353339 1130543239 /nfs/dbraw/zinc/54/32/39/1130543239.db2.gz SAAIMCSGRBKDPU-CYBMUJFWSA-N 0 3 251.345 3.542 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccccc1[O-] ZINC000793576109 1130571733 /nfs/dbraw/zinc/57/17/33/1130571733.db2.gz XTTDBGIYBHOFPU-MRXNPFEDSA-N 0 3 295.386 3.552 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C)c2c1 ZINC001234518773 1130653216 /nfs/dbraw/zinc/65/32/16/1130653216.db2.gz MPNSDHWLKLBIJV-CYBMUJFWSA-N 0 3 285.387 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@H]3C)c2c1 ZINC001234518773 1130653217 /nfs/dbraw/zinc/65/32/17/1130653217.db2.gz MPNSDHWLKLBIJV-CYBMUJFWSA-N 0 3 285.387 3.928 20 10 CHCDHN C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000780792577 1130692836 /nfs/dbraw/zinc/69/28/36/1130692836.db2.gz HPAIRVOVCTYCRM-KOLCDFICSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000780792577 1130692840 /nfs/dbraw/zinc/69/28/40/1130692840.db2.gz HPAIRVOVCTYCRM-KOLCDFICSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993263 1130699809 /nfs/dbraw/zinc/69/98/09/1130699809.db2.gz XTWRXJSWMLJGLI-CZUORRHYSA-N 0 3 285.362 3.992 20 10 CHCDHN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993263 1130699813 /nfs/dbraw/zinc/69/98/13/1130699813.db2.gz XTWRXJSWMLJGLI-CZUORRHYSA-N 0 3 285.362 3.992 20 10 CHCDHN CO[C@@H](C)C1C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234999648 1130701018 /nfs/dbraw/zinc/70/10/18/1130701018.db2.gz XRBMWTHZMYHZJM-AWEZNQCLSA-N 0 3 297.398 3.526 20 10 CHCDHN CO[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234992840 1130701705 /nfs/dbraw/zinc/70/17/05/1130701705.db2.gz SEPUBESNDHNNEO-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN CO[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234992840 1130701709 /nfs/dbraw/zinc/70/17/09/1130701709.db2.gz SEPUBESNDHNNEO-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN CO[C@](C)(C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000812734887 1130710144 /nfs/dbraw/zinc/71/01/44/1130710144.db2.gz UIXVXDAJTBWKFK-MEDUHNTESA-N 0 3 297.826 3.820 20 10 CHCDHN C[C@@H]1C[C@H](F)CN1Cc1ccc(C(C)(C)C)cc1O ZINC001235676061 1130766466 /nfs/dbraw/zinc/76/64/66/1130766466.db2.gz OXDFVNSYQCLSLY-RISCZKNCSA-N 0 3 265.372 3.622 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001235679684 1130767162 /nfs/dbraw/zinc/76/71/62/1130767162.db2.gz QOCLJTPXWUMCJR-SWLSCSKDSA-N 0 3 259.393 3.674 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC001235679684 1130767165 /nfs/dbraw/zinc/76/71/65/1130767165.db2.gz QOCLJTPXWUMCJR-SWLSCSKDSA-N 0 3 259.393 3.674 20 10 CHCDHN CCCc1nc(C)c(CN[C@H](CC)c2ccccc2O)o1 ZINC000813886102 1130795160 /nfs/dbraw/zinc/79/51/60/1130795160.db2.gz VXUMVAPCMZBZLD-CQSZACIVSA-N 0 3 288.391 3.882 20 10 CHCDHN Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])o1 ZINC000783516057 1130833352 /nfs/dbraw/zinc/83/33/52/1130833352.db2.gz DHMWUFMIEKZNIB-JSGCOSHPSA-N 0 3 273.376 3.966 20 10 CHCDHN Cc1cccc(OCCC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000783518728 1130833743 /nfs/dbraw/zinc/83/37/43/1130833743.db2.gz ROLKVEJARFJERX-HNNXBMFYSA-N 0 3 285.387 3.820 20 10 CHCDHN C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000783524566 1130833838 /nfs/dbraw/zinc/83/38/38/1130833838.db2.gz OUFAVTLIXIZHSY-LBPRGKRZSA-N 0 3 271.335 3.871 20 10 CHCDHN C[C@H]([NH2+]CCC1Cc2ccccc2C1)c1ccccc1[O-] ZINC000783520291 1130833897 /nfs/dbraw/zinc/83/38/97/1130833897.db2.gz ZYPLSBGVDGIJJN-AWEZNQCLSA-N 0 3 281.399 3.848 20 10 CHCDHN C[C@@H](N[C@H]1COc2ccc(Cl)cc21)c1ccccc1O ZINC000783518830 1130834070 /nfs/dbraw/zinc/83/40/70/1130834070.db2.gz PBJKIDLPSJJQCH-YGRLFVJLSA-N 0 3 289.762 3.830 20 10 CHCDHN CC[C@@H]1CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000814178765 1130835023 /nfs/dbraw/zinc/83/50/23/1130835023.db2.gz CKGWFPKXNVKITP-QGZVFWFLSA-N 0 3 297.398 3.956 20 10 CHCDHN CC[C@@H]1CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000814178765 1130835029 /nfs/dbraw/zinc/83/50/29/1130835029.db2.gz CKGWFPKXNVKITP-QGZVFWFLSA-N 0 3 297.398 3.956 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000783593503 1130842618 /nfs/dbraw/zinc/84/26/18/1130842618.db2.gz VBBDMHKRGCMZIH-RRQGHBQHSA-N 0 3 289.419 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000783593503 1130842622 /nfs/dbraw/zinc/84/26/22/1130842622.db2.gz VBBDMHKRGCMZIH-RRQGHBQHSA-N 0 3 289.419 3.801 20 10 CHCDHN Cc1cc(CN(C)Cc2cccs2)ccc1N(C)C ZINC000815012275 1130950908 /nfs/dbraw/zinc/95/09/08/1130950908.db2.gz KCXUJSYZTPEIMN-UHFFFAOYSA-N 0 3 274.433 3.755 20 10 CHCDHN CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815555289 1130998120 /nfs/dbraw/zinc/99/81/20/1130998120.db2.gz VNXPDLHOQVSEEI-INIZCTEOSA-N 0 3 255.361 3.676 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)CCCCC2)c([O-])c1 ZINC000815595780 1131006210 /nfs/dbraw/zinc/00/62/10/1131006210.db2.gz BFHZAMZFFVISNS-OAHLLOKOSA-N 0 3 291.435 3.602 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)CCCCC2)c([O-])c1 ZINC000815595779 1131006508 /nfs/dbraw/zinc/00/65/08/1131006508.db2.gz BFHZAMZFFVISNS-HNNXBMFYSA-N 0 3 291.435 3.602 20 10 CHCDHN CCc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC001236789661 1131006518 /nfs/dbraw/zinc/00/65/18/1131006518.db2.gz CUELXOFGMMWPTP-CQSZACIVSA-N 0 3 281.399 3.901 20 10 CHCDHN CCc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC001236789661 1131006520 /nfs/dbraw/zinc/00/65/20/1131006520.db2.gz CUELXOFGMMWPTP-CQSZACIVSA-N 0 3 281.399 3.901 20 10 CHCDHN CCc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c([O-])c1 ZINC001236789640 1131006583 /nfs/dbraw/zinc/00/65/83/1131006583.db2.gz BXOWRAOGAUSMFJ-UHFFFAOYSA-N 0 3 296.414 3.729 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCCC3(CCC3)C2)c([O-])c1 ZINC001236789593 1131007331 /nfs/dbraw/zinc/00/73/31/1131007331.db2.gz ZOPDQARNOSMSEY-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CCc1ccc(C[N@H+]2CCCC3(CCC3)C2)c([O-])c1 ZINC001236789593 1131007335 /nfs/dbraw/zinc/00/73/35/1131007335.db2.gz ZOPDQARNOSMSEY-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CO[C@@H](C)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815619641 1131009889 /nfs/dbraw/zinc/00/98/89/1131009889.db2.gz TXXYXUAQACIEGS-YJBOKZPZSA-N 0 3 299.414 3.691 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001236806787 1131011631 /nfs/dbraw/zinc/01/16/31/1131011631.db2.gz BDMXJBCVYZOSEM-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001236806787 1131011636 /nfs/dbraw/zinc/01/16/36/1131011636.db2.gz BDMXJBCVYZOSEM-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001236808419 1131012365 /nfs/dbraw/zinc/01/23/65/1131012365.db2.gz PHWPBLZZCYKVMW-GXTWGEPZSA-N 0 3 277.408 3.577 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001236808419 1131012366 /nfs/dbraw/zinc/01/23/66/1131012366.db2.gz PHWPBLZZCYKVMW-GXTWGEPZSA-N 0 3 277.408 3.577 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001236811647 1131012814 /nfs/dbraw/zinc/01/28/14/1131012814.db2.gz UQHPHSDXTQZLPG-WMLDXEAASA-N 0 3 289.419 3.864 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001236811647 1131012820 /nfs/dbraw/zinc/01/28/20/1131012820.db2.gz UQHPHSDXTQZLPG-WMLDXEAASA-N 0 3 289.419 3.864 20 10 CHCDHN CC1(C)C[N@H+](Cc2cc3ccccc3cc2[O-])[C@@](C)(CO)C1 ZINC001236826785 1131016795 /nfs/dbraw/zinc/01/67/95/1131016795.db2.gz MWGBNDFSJNIRIG-LJQANCHMSA-N 0 3 299.414 3.528 20 10 CHCDHN CC1(C)C[N@@H+](Cc2cc3ccccc3cc2[O-])[C@@](C)(CO)C1 ZINC001236826785 1131016800 /nfs/dbraw/zinc/01/68/00/1131016800.db2.gz MWGBNDFSJNIRIG-LJQANCHMSA-N 0 3 299.414 3.528 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CCC2(CC2)CC1 ZINC001236825687 1131017532 /nfs/dbraw/zinc/01/75/32/1131017532.db2.gz CHJDWMHOKJRSQV-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001236834375 1131019531 /nfs/dbraw/zinc/01/95/31/1131019531.db2.gz XQAMHBNALUZDSD-CQSZACIVSA-N 0 3 295.304 3.930 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001236834375 1131019535 /nfs/dbraw/zinc/01/95/35/1131019535.db2.gz XQAMHBNALUZDSD-CQSZACIVSA-N 0 3 295.304 3.930 20 10 CHCDHN CO[C@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])[C@H](C)C1 ZINC001236834595 1131019987 /nfs/dbraw/zinc/01/99/87/1131019987.db2.gz BWPNZEOVYJUOCV-DYVFJYSZSA-N 0 3 285.387 3.545 20 10 CHCDHN CO[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])[C@H](C)C1 ZINC001236834595 1131019992 /nfs/dbraw/zinc/01/99/92/1131019992.db2.gz BWPNZEOVYJUOCV-DYVFJYSZSA-N 0 3 285.387 3.545 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001236834105 1131020065 /nfs/dbraw/zinc/02/00/65/1131020065.db2.gz UQECNDFLVOZKBJ-BLLLJJGKSA-N 0 3 253.345 3.530 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001236834105 1131020068 /nfs/dbraw/zinc/02/00/68/1131020068.db2.gz UQECNDFLVOZKBJ-BLLLJJGKSA-N 0 3 253.345 3.530 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001237049791 1131040449 /nfs/dbraw/zinc/04/04/49/1131040449.db2.gz JNTJKXZHEWAFBM-UHFFFAOYSA-N 0 3 289.419 3.947 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c([O-])c1 ZINC001237049791 1131040455 /nfs/dbraw/zinc/04/04/55/1131040455.db2.gz JNTJKXZHEWAFBM-UHFFFAOYSA-N 0 3 289.419 3.947 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c([O-])c1 ZINC001237051476 1131040523 /nfs/dbraw/zinc/04/05/23/1131040523.db2.gz LEXYVGOHQVJUQY-QANKJYHBSA-N 0 3 289.419 3.515 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c([O-])c1 ZINC001237051476 1131040530 /nfs/dbraw/zinc/04/05/30/1131040530.db2.gz LEXYVGOHQVJUQY-QANKJYHBSA-N 0 3 289.419 3.515 20 10 CHCDHN CC(C)c1ccc(C[N@H+](C)CC2CC(F)(F)C2)c([O-])c1 ZINC001237048131 1131040833 /nfs/dbraw/zinc/04/08/33/1131040833.db2.gz DHVOGMHLNNLMDL-UHFFFAOYSA-N 0 3 283.362 3.993 20 10 CHCDHN CC(C)c1ccc(C[N@@H+](C)CC2CC(F)(F)C2)c([O-])c1 ZINC001237048131 1131040840 /nfs/dbraw/zinc/04/08/40/1131040840.db2.gz DHVOGMHLNNLMDL-UHFFFAOYSA-N 0 3 283.362 3.993 20 10 CHCDHN CCOCC1CC[NH+](Cc2ccc(C(C)C)cc2[O-])CC1 ZINC001237050228 1131041076 /nfs/dbraw/zinc/04/10/76/1131041076.db2.gz ZNTRGCBRVRPANI-UHFFFAOYSA-N 0 3 291.435 3.764 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(C)(C)C)CC1 ZINC001237483606 1131103914 /nfs/dbraw/zinc/10/39/14/1131103914.db2.gz QFRAVTCTCWBGND-UHFFFAOYSA-N 0 3 261.409 3.959 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C2(C(C)C)CC2)c1[O-] ZINC000816644134 1131117447 /nfs/dbraw/zinc/11/74/47/1131117447.db2.gz DDNRRCKJHWIBKV-UHFFFAOYSA-N 0 3 253.773 3.632 20 10 CHCDHN C[C@@H]1CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641530 1131123162 /nfs/dbraw/zinc/12/31/62/1131123162.db2.gz SXSLBYITZNHRTB-GFCCVEGCSA-N 0 3 271.335 3.793 20 10 CHCDHN C[C@@H]1CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001237641530 1131123165 /nfs/dbraw/zinc/12/31/65/1131123165.db2.gz SXSLBYITZNHRTB-GFCCVEGCSA-N 0 3 271.335 3.793 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)c1ccccc1[O-] ZINC000817410351 1131160563 /nfs/dbraw/zinc/16/05/63/1131160563.db2.gz LTAPFEFXZNIEHZ-MRXNPFEDSA-N 0 3 270.376 3.645 20 10 CHCDHN Cc1cc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc(C)n1 ZINC000817411369 1131160728 /nfs/dbraw/zinc/16/07/28/1131160728.db2.gz QNOFPXLBWIWNPS-UHFFFAOYSA-N 0 3 290.794 3.656 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c1[O-] ZINC001238057406 1131165195 /nfs/dbraw/zinc/16/51/95/1131165195.db2.gz KPJKTCICHCTCAT-NSHDSACASA-N 0 3 287.325 3.707 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c1[O-] ZINC001238057406 1131165197 /nfs/dbraw/zinc/16/51/97/1131165197.db2.gz KPJKTCICHCTCAT-NSHDSACASA-N 0 3 287.325 3.707 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1[O-] ZINC001238061904 1131166135 /nfs/dbraw/zinc/16/61/35/1131166135.db2.gz LEZXYWNNGPPJNO-KGLIPLIRSA-N 0 3 277.383 3.852 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1[O-] ZINC001238061904 1131166137 /nfs/dbraw/zinc/16/61/37/1131166137.db2.gz LEZXYWNNGPPJNO-KGLIPLIRSA-N 0 3 277.383 3.852 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCCC3(CCC3)C2)c1[O-] ZINC001238064335 1131166680 /nfs/dbraw/zinc/16/66/80/1131166680.db2.gz BNUYNHJVHFGWRS-UHFFFAOYSA-N 0 3 263.356 3.606 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCCC3(CCC3)C2)c1[O-] ZINC001238064335 1131166683 /nfs/dbraw/zinc/16/66/83/1131166683.db2.gz BNUYNHJVHFGWRS-UHFFFAOYSA-N 0 3 263.356 3.606 20 10 CHCDHN CCC(CC)[N@H+](CC)Cc1cc(F)cc(C)c1[O-] ZINC001238069511 1131167793 /nfs/dbraw/zinc/16/77/93/1131167793.db2.gz IZUZVMQNLMREMQ-UHFFFAOYSA-N 0 3 253.361 3.850 20 10 CHCDHN CCC(CC)[N@@H+](CC)Cc1cc(F)cc(C)c1[O-] ZINC001238069511 1131167797 /nfs/dbraw/zinc/16/77/97/1131167797.db2.gz IZUZVMQNLMREMQ-UHFFFAOYSA-N 0 3 253.361 3.850 20 10 CHCDHN C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000817981186 1131195339 /nfs/dbraw/zinc/19/53/39/1131195339.db2.gz HAIMYTFRIHNNFY-FZKQIMNGSA-N 0 3 298.430 3.714 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccccc1[O-] ZINC000817977386 1131195451 /nfs/dbraw/zinc/19/54/51/1131195451.db2.gz JDONZAFMZMEZPZ-ZDUSSCGKSA-N 0 3 282.387 3.601 20 10 CHCDHN CC[N@H+](Cc1cnc(C2CC2)c(C)c1)Cc1ccccc1[O-] ZINC001238626653 1131225434 /nfs/dbraw/zinc/22/54/34/1131225434.db2.gz YQUWZIDGNMQBOI-UHFFFAOYSA-N 0 3 296.414 3.995 20 10 CHCDHN CC[N@@H+](Cc1cnc(C2CC2)c(C)c1)Cc1ccccc1[O-] ZINC001238626653 1131225438 /nfs/dbraw/zinc/22/54/38/1131225438.db2.gz YQUWZIDGNMQBOI-UHFFFAOYSA-N 0 3 296.414 3.995 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000824548435 1131475199 /nfs/dbraw/zinc/47/51/99/1131475199.db2.gz HOUXRVLLWJNSMK-HNNXBMFYSA-N 0 3 267.372 3.602 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000824750796 1131484208 /nfs/dbraw/zinc/48/42/08/1131484208.db2.gz PEXHFHLEFQIDMR-GOEBONIOSA-N 0 3 289.419 3.782 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC000825130397 1131499819 /nfs/dbraw/zinc/49/98/19/1131499819.db2.gz XIHUBFONGSGRNR-UHFFFAOYSA-N 0 3 287.790 3.911 20 10 CHCDHN Cc1cc(C)c(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cn1 ZINC000825221739 1131501929 /nfs/dbraw/zinc/50/19/29/1131501929.db2.gz XPTJUKWVHLZEGI-UHFFFAOYSA-N 0 3 290.794 3.656 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc3occc3c1)CC2 ZINC001138825736 1131553379 /nfs/dbraw/zinc/55/33/79/1131553379.db2.gz VDKUWZZWZYMZOF-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc3occc3c1)CC2 ZINC001138825736 1131553385 /nfs/dbraw/zinc/55/33/85/1131553385.db2.gz VDKUWZZWZYMZOF-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844756319 1131595686 /nfs/dbraw/zinc/59/56/86/1131595686.db2.gz ABFDUQNQGXCRCP-MRXNPFEDSA-N 0 3 289.325 3.777 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844756319 1131595691 /nfs/dbraw/zinc/59/56/91/1131595691.db2.gz ABFDUQNQGXCRCP-MRXNPFEDSA-N 0 3 289.325 3.777 20 10 CHCDHN CC(C)=CCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000792182942 1131624595 /nfs/dbraw/zinc/62/45/95/1131624595.db2.gz IDNHSVFFUITREY-UHFFFAOYSA-N 0 3 253.773 3.800 20 10 CHCDHN CCC[N@H+](CCCc1ccc(C)nc1)Cc1ccccc1[O-] ZINC000792797831 1131653262 /nfs/dbraw/zinc/65/32/62/1131653262.db2.gz ILYRQOHGXDNIIS-UHFFFAOYSA-N 0 3 298.430 3.940 20 10 CHCDHN CCC[N@@H+](CCCc1ccc(C)nc1)Cc1ccccc1[O-] ZINC000792797831 1131653265 /nfs/dbraw/zinc/65/32/65/1131653265.db2.gz ILYRQOHGXDNIIS-UHFFFAOYSA-N 0 3 298.430 3.940 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001140059203 1131660606 /nfs/dbraw/zinc/66/06/06/1131660606.db2.gz YSLPCVFZMWPSHS-UHFFFAOYSA-N 0 3 281.346 3.636 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001140059203 1131660610 /nfs/dbraw/zinc/66/06/10/1131660610.db2.gz YSLPCVFZMWPSHS-UHFFFAOYSA-N 0 3 281.346 3.636 20 10 CHCDHN C[C@@H](NCc1cc2cnccc2o1)c1ccc(N(C)C)cc1 ZINC000845956124 1131670767 /nfs/dbraw/zinc/67/07/67/1131670767.db2.gz JIBHVAUIIYQLAX-CYBMUJFWSA-N 0 3 295.386 3.745 20 10 CHCDHN COc1ccc(CNCc2ccc(C)cc2Cl)c(O)c1 ZINC000845968293 1131672808 /nfs/dbraw/zinc/67/28/08/1131672808.db2.gz ULCZHVYXAYLEAS-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccc(C)cc2Cl)c([O-])c1 ZINC000845968293 1131672810 /nfs/dbraw/zinc/67/28/10/1131672810.db2.gz ULCZHVYXAYLEAS-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN Cc1ccc(C)c(CN2CCc3cc(F)ccc3C2)c1O ZINC001140184401 1131674632 /nfs/dbraw/zinc/67/46/32/1131674632.db2.gz RUTCCXLCOFSBCB-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834522360 1131681217 /nfs/dbraw/zinc/68/12/17/1131681217.db2.gz AOKDFOJHLCEYBX-FRFSOERESA-N 0 3 289.419 3.564 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@](C)(O)c1ccccc1)c1ccccc1[O-] ZINC000846044037 1131683652 /nfs/dbraw/zinc/68/36/52/1131683652.db2.gz NKUKJLGRTLLUSH-DKSSEZFCSA-N 0 3 299.414 3.729 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1F ZINC000846045827 1131683968 /nfs/dbraw/zinc/68/39/68/1131683968.db2.gz RVQODMYVXZSAKK-HNNXBMFYSA-N 0 3 277.314 3.911 20 10 CHCDHN CCCc1cccc(C[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC000793387984 1131689641 /nfs/dbraw/zinc/68/96/41/1131689641.db2.gz DGGCSWYCAGYHJP-UHFFFAOYSA-N 0 3 285.387 3.643 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2(CO)CCC2)c1[O-] ZINC000846211094 1131695948 /nfs/dbraw/zinc/69/59/48/1131695948.db2.gz SDVNJBSMTQWRDA-LBPRGKRZSA-N 0 3 297.826 3.557 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)COCC2CC2)c1[O-] ZINC000846205825 1131696069 /nfs/dbraw/zinc/69/60/69/1131696069.db2.gz UHRDEJMCPIAMKY-NWDGAFQWSA-N 0 3 297.826 3.820 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c([O-])c1 ZINC000846185472 1131697527 /nfs/dbraw/zinc/69/75/27/1131697527.db2.gz AERNYZFWRFXFRN-FZKQIMNGSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)ccn1 ZINC000834859567 1131713379 /nfs/dbraw/zinc/71/33/79/1131713379.db2.gz DJLUSZGUABJCJP-IINYFYTJSA-N 0 3 286.350 3.573 20 10 CHCDHN CC[C@@](C)(C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])OC ZINC000834882547 1131716603 /nfs/dbraw/zinc/71/66/03/1131716603.db2.gz ROUOEGHWQHFCSU-ABAIWWIYSA-N 0 3 285.815 3.820 20 10 CHCDHN C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000834884573 1131717868 /nfs/dbraw/zinc/71/78/68/1131717868.db2.gz NQLDLTILOOTYFF-QPUJVOFHSA-N 0 3 292.181 3.766 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)c1ccc(C)cc1[O-] ZINC000834901924 1131725493 /nfs/dbraw/zinc/72/54/93/1131725493.db2.gz BSFOUGOWXTXEIJ-YLQAJVPDSA-N 0 3 277.408 3.555 20 10 CHCDHN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834914827 1131733611 /nfs/dbraw/zinc/73/36/11/1131733611.db2.gz WRJBXAFMAFJKPM-XTWPYSKKSA-N 0 3 293.382 3.627 20 10 CHCDHN CN(C)c1ccc(/C=C\C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000835024729 1131759520 /nfs/dbraw/zinc/75/95/20/1131759520.db2.gz BVEZSCZGUONWTB-SREVYHEPSA-N 0 3 296.414 3.603 20 10 CHCDHN CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000835024729 1131759525 /nfs/dbraw/zinc/75/95/25/1131759525.db2.gz BVEZSCZGUONWTB-SREVYHEPSA-N 0 3 296.414 3.603 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001140947986 1131969719 /nfs/dbraw/zinc/96/97/19/1131969719.db2.gz OKFVHVPMWVQRPC-INIZCTEOSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001140947986 1131969723 /nfs/dbraw/zinc/96/97/23/1131969723.db2.gz OKFVHVPMWVQRPC-INIZCTEOSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)c([O-])c1 ZINC000036993358 1131986303 /nfs/dbraw/zinc/98/63/03/1131986303.db2.gz MAGZFBCGIFBTTF-CHWSQXEVSA-N 0 3 259.349 3.575 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccns1)c1ccccc1[O-] ZINC000715968422 1132000840 /nfs/dbraw/zinc/00/08/40/1132000840.db2.gz VKPYEYKNWFLKFY-JQWIXIFHSA-N 0 3 262.378 3.651 20 10 CHCDHN Oc1ccc(O)c(CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC001141156601 1132029057 /nfs/dbraw/zinc/02/90/57/1132029057.db2.gz OIDZIKCGVWAMDJ-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN CCN(Cc1ccc(Cl)cc1)Cc1cc(O)ccc1O ZINC001141160803 1132030670 /nfs/dbraw/zinc/03/06/70/1132030670.db2.gz JDEPUWHAUWJSME-UHFFFAOYSA-N 0 3 291.778 3.773 20 10 CHCDHN Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001172368495 1132192748 /nfs/dbraw/zinc/19/27/48/1132192748.db2.gz PFELYSXSEYBARQ-GZBFAFLISA-N 0 3 261.409 3.923 20 10 CHCDHN CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000840764140 1132283326 /nfs/dbraw/zinc/28/33/26/1132283326.db2.gz NMIJCNAAHVGEJC-NMKXLXIOSA-N 0 3 293.382 3.625 20 10 CHCDHN CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000840847416 1132293107 /nfs/dbraw/zinc/29/31/07/1132293107.db2.gz NGCMSZCYEJFCSS-XVSDVWIESA-N 0 3 297.398 3.664 20 10 CHCDHN CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000840859519 1132295304 /nfs/dbraw/zinc/29/53/04/1132295304.db2.gz MYFGNKCVMOHHKV-XNJGSVPQSA-N 0 3 277.408 3.555 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CS1 ZINC000840860660 1132296022 /nfs/dbraw/zinc/29/60/22/1132296022.db2.gz VIIDBWXKGOGSER-MWGHHZFTSA-N 0 3 281.396 3.563 20 10 CHCDHN CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-])C1CC1 ZINC000840859517 1132296318 /nfs/dbraw/zinc/29/63/18/1132296318.db2.gz MYFGNKCVMOHHKV-DCGLDWPTSA-N 0 3 277.408 3.555 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CS1 ZINC000840860662 1132296602 /nfs/dbraw/zinc/29/66/02/1132296602.db2.gz VIIDBWXKGOGSER-SVDPJWKOSA-N 0 3 281.396 3.563 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172726461 1132300123 /nfs/dbraw/zinc/30/01/23/1132300123.db2.gz WNVGSWFDVPSCKJ-MRXNPFEDSA-N 0 3 299.801 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172726461 1132300129 /nfs/dbraw/zinc/30/01/29/1132300129.db2.gz WNVGSWFDVPSCKJ-MRXNPFEDSA-N 0 3 299.801 3.571 20 10 CHCDHN CCOc1ccc(CN(CC)Cc2occc2C)c(O)c1 ZINC000840970979 1132314814 /nfs/dbraw/zinc/31/48/14/1132314814.db2.gz YTNQZVZYMSIAMW-UHFFFAOYSA-N 0 3 289.375 3.714 20 10 CHCDHN CCOc1ccc(C[N@H+](CC)Cc2occc2C)c([O-])c1 ZINC000840970979 1132314820 /nfs/dbraw/zinc/31/48/20/1132314820.db2.gz YTNQZVZYMSIAMW-UHFFFAOYSA-N 0 3 289.375 3.714 20 10 CHCDHN CCOc1ccc(C[N@@H+](CC)Cc2occc2C)c([O-])c1 ZINC000840970979 1132314826 /nfs/dbraw/zinc/31/48/26/1132314826.db2.gz YTNQZVZYMSIAMW-UHFFFAOYSA-N 0 3 289.375 3.714 20 10 CHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C2(CC2)C1 ZINC001231591248 1132321418 /nfs/dbraw/zinc/32/14/18/1132321418.db2.gz ZOXNHLOJIUJGHI-CYBMUJFWSA-N 0 3 267.372 3.920 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C2(CC2)C1 ZINC001231591248 1132321427 /nfs/dbraw/zinc/32/14/27/1132321427.db2.gz ZOXNHLOJIUJGHI-CYBMUJFWSA-N 0 3 267.372 3.920 20 10 CHCDHN Cc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001231842454 1132377551 /nfs/dbraw/zinc/37/75/51/1132377551.db2.gz MKDSJJPWFXFLNU-DZGCQCFKSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1cc(C)c(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC001231842454 1132377559 /nfs/dbraw/zinc/37/75/59/1132377559.db2.gz MKDSJJPWFXFLNU-DZGCQCFKSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1cc(C)c(C[N@H+](C2CCC2)C2CCOCC2)c([O-])c1 ZINC001231850407 1132378852 /nfs/dbraw/zinc/37/88/52/1132378852.db2.gz OVXRFGCOIVFFLT-UHFFFAOYSA-N 0 3 289.419 3.543 20 10 CHCDHN Cc1cc(C)c(C[N@@H+](C2CCC2)C2CCOCC2)c([O-])c1 ZINC001231850407 1132378858 /nfs/dbraw/zinc/37/88/58/1132378858.db2.gz OVXRFGCOIVFFLT-UHFFFAOYSA-N 0 3 289.419 3.543 20 10 CHCDHN Cc1cc([O-])c(C[N@H+](C)Cc2cccnc2C)cc1Cl ZINC001231870138 1132383526 /nfs/dbraw/zinc/38/35/26/1132383526.db2.gz LIFZTDUIPXXQEM-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+](C)Cc2cccnc2C)cc1Cl ZINC001231870138 1132383531 /nfs/dbraw/zinc/38/35/31/1132383531.db2.gz LIFZTDUIPXXQEM-UHFFFAOYSA-N 0 3 290.794 3.689 20 10 CHCDHN C[C@H](N[C@H]1COCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000841762358 1132396738 /nfs/dbraw/zinc/39/67/38/1132396738.db2.gz WNLZVJPYKYALCN-LIRRHRJNSA-N 0 3 296.414 3.675 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cccc2c1CCCC2 ZINC001232639219 1132499891 /nfs/dbraw/zinc/49/98/91/1132499891.db2.gz XGBAJCYOLLTRLK-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cccc2c1CCCC2 ZINC001232639219 1132499893 /nfs/dbraw/zinc/49/98/93/1132499893.db2.gz XGBAJCYOLLTRLK-UHFFFAOYSA-N 0 3 281.399 3.903 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1cccc3c1CCCC3)CC2 ZINC001232638803 1132500000 /nfs/dbraw/zinc/50/00/00/1132500000.db2.gz OFZSMTIMVJXVIV-UHFFFAOYSA-N 0 3 293.410 3.829 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1cccc3c1CCCC3)CC2 ZINC001232638803 1132500006 /nfs/dbraw/zinc/50/00/06/1132500006.db2.gz OFZSMTIMVJXVIV-UHFFFAOYSA-N 0 3 293.410 3.829 20 10 CHCDHN CC(C)[C@@H]1COCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143111568 1132503351 /nfs/dbraw/zinc/50/33/51/1132503351.db2.gz DDCKZZFIMYHDMN-INIZCTEOSA-N 0 3 291.435 3.547 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000843421881 1132530378 /nfs/dbraw/zinc/53/03/78/1132530378.db2.gz IQMWFZPGIZYPPY-UHFFFAOYSA-N 0 3 289.325 3.839 20 10 CHCDHN CC[N@H+](Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1[O-] ZINC001232872422 1132534021 /nfs/dbraw/zinc/53/40/21/1132534021.db2.gz YQBPHHLPMCSKCO-UHFFFAOYSA-N 0 3 296.370 3.601 20 10 CHCDHN CC[N@@H+](Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1[O-] ZINC001232872422 1132534025 /nfs/dbraw/zinc/53/40/25/1132534025.db2.gz YQBPHHLPMCSKCO-UHFFFAOYSA-N 0 3 296.370 3.601 20 10 CHCDHN CN(C)c1cccc(NCc2cc3ccccc3cc2O)n1 ZINC001160207181 1132945574 /nfs/dbraw/zinc/94/55/74/1132945574.db2.gz SPZYIYIIBOXOLC-UHFFFAOYSA-N 0 3 293.370 3.619 20 10 CHCDHN C[C@@H](NCc1cscc1Cl)c1ccccc1O ZINC001203536537 1133336904 /nfs/dbraw/zinc/33/69/04/1133336904.db2.gz XYJRXYJLXMRRDY-SECBINFHSA-N 0 3 267.781 3.958 20 10 CHCDHN CCCC[N@H+](CCC)Cc1cccc(OCC)c1[O-] ZINC001203610153 1133344122 /nfs/dbraw/zinc/34/41/22/1133344122.db2.gz XCMUZWCPNSUDNE-UHFFFAOYSA-N 0 3 265.397 3.803 20 10 CHCDHN CCCC[N@@H+](CCC)Cc1cccc(OCC)c1[O-] ZINC001203610153 1133344129 /nfs/dbraw/zinc/34/41/29/1133344129.db2.gz XCMUZWCPNSUDNE-UHFFFAOYSA-N 0 3 265.397 3.803 20 10 CHCDHN CCC[N@H+](Cc1cccc(OCC)c1[O-])[C@@H](C)CC ZINC001203602142 1133344386 /nfs/dbraw/zinc/34/43/86/1133344386.db2.gz DHCNELQVDBIOTL-ZDUSSCGKSA-N 0 3 265.397 3.801 20 10 CHCDHN CCC[N@@H+](Cc1cccc(OCC)c1[O-])[C@@H](C)CC ZINC001203602142 1133344391 /nfs/dbraw/zinc/34/43/91/1133344391.db2.gz DHCNELQVDBIOTL-ZDUSSCGKSA-N 0 3 265.397 3.801 20 10 CHCDHN COc1ccc(C[N@H+](Cc2ccccc2)C2CCC2)c([O-])c1 ZINC001203634556 1133346608 /nfs/dbraw/zinc/34/66/08/1133346608.db2.gz LSPQBWOROXBYHQ-UHFFFAOYSA-N 0 3 297.398 3.956 20 10 CHCDHN COc1ccc(C[N@@H+](Cc2ccccc2)C2CCC2)c([O-])c1 ZINC001203634556 1133346614 /nfs/dbraw/zinc/34/66/14/1133346614.db2.gz LSPQBWOROXBYHQ-UHFFFAOYSA-N 0 3 297.398 3.956 20 10 CHCDHN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001203738919 1133362067 /nfs/dbraw/zinc/36/20/67/1133362067.db2.gz AOBJACUJLQXCHM-UHFFFAOYSA-N 0 3 297.398 3.663 20 10 CHCDHN CC[N@H+](Cc1ccc(OC)c(C)c1)Cc1ccccc1[O-] ZINC001203899830 1133383354 /nfs/dbraw/zinc/38/33/54/1133383354.db2.gz YNYZKJHAJRPAIU-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccc(OC)c(C)c1)Cc1ccccc1[O-] ZINC001203899830 1133383363 /nfs/dbraw/zinc/38/33/63/1133383363.db2.gz YNYZKJHAJRPAIU-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CSc1ccc(CN2CCc3cccc(O)c3C2)cc1 ZINC001204141262 1133410279 /nfs/dbraw/zinc/41/02/79/1133410279.db2.gz LUGSBNYKQIRDFP-UHFFFAOYSA-N 0 3 285.412 3.672 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001204275533 1133426790 /nfs/dbraw/zinc/42/67/90/1133426790.db2.gz VPVAALDJOQZIJO-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001204275533 1133426792 /nfs/dbraw/zinc/42/67/92/1133426792.db2.gz VPVAALDJOQZIJO-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN CC(C)C[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204275823 1133427616 /nfs/dbraw/zinc/42/76/16/1133427616.db2.gz CJHBOPFACCOHGV-UHFFFAOYSA-N 0 3 285.387 3.756 20 10 CHCDHN CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204275823 1133427620 /nfs/dbraw/zinc/42/76/20/1133427620.db2.gz CJHBOPFACCOHGV-UHFFFAOYSA-N 0 3 285.387 3.756 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cccc(F)c1C ZINC001204510908 1133455170 /nfs/dbraw/zinc/45/51/70/1133455170.db2.gz PUOQLBVILIGDJW-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cccc(F)c1C ZINC001204510908 1133455176 /nfs/dbraw/zinc/45/51/76/1133455176.db2.gz PUOQLBVILIGDJW-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN COc1cc(C)c(C[NH2+]C/C=C/c2ccccc2)c([O-])c1 ZINC001204984345 1133512363 /nfs/dbraw/zinc/51/23/63/1133512363.db2.gz IUQJARFOKIJUTQ-RMKNXTFCSA-N 0 3 283.371 3.512 20 10 CHCDHN CC(C)c1ccc(O)c(CN[C@H](C)c2ccns2)c1 ZINC001207025453 1133759672 /nfs/dbraw/zinc/75/96/72/1133759672.db2.gz GRWHJSYHNWAAEB-LLVKDONJSA-N 0 3 276.405 3.823 20 10 CHCDHN Cc1cccc2c(C[N@@H+]3CCc4cccc([O-])c4C3)c[nH]c21 ZINC001209494413 1134030979 /nfs/dbraw/zinc/03/09/79/1134030979.db2.gz PVCQJODOKQMZSC-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN Cc1cccc2c(C[N@H+]3CCc4cccc([O-])c4C3)c[nH]c21 ZINC001209494413 1134030983 /nfs/dbraw/zinc/03/09/83/1134030983.db2.gz PVCQJODOKQMZSC-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN C[N@H+](Cc1ccc2cc[nH]c2c1)Cc1ccccc1[O-] ZINC001209515633 1134031857 /nfs/dbraw/zinc/03/18/57/1134031857.db2.gz XYWBYTYLEVSXBH-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1ccccc1[O-] ZINC001209515633 1134031862 /nfs/dbraw/zinc/03/18/62/1134031862.db2.gz XYWBYTYLEVSXBH-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN Cc1ccoc1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000312869631 1135135563 /nfs/dbraw/zinc/13/55/63/1135135563.db2.gz UAMXUMWBHZQOBI-QWHCGFSZSA-N 0 3 271.360 3.940 20 10 CHCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)c1ccccn1 ZINC000020123637 171004575 /nfs/dbraw/zinc/00/45/75/171004575.db2.gz VJCKLPAXBOICMR-IPYPFGDCSA-N 0 3 282.387 3.995 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1[O-] ZINC000020204262 171069726 /nfs/dbraw/zinc/06/97/26/171069726.db2.gz YTLCKFNSHLBJDU-FZMZJTMJSA-N 0 3 257.333 3.713 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cccnc2)c1 ZINC000035628820 172308151 /nfs/dbraw/zinc/30/81/51/172308151.db2.gz ZJIXYQGASNQNNS-STQMWFEESA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000035628820 172308152 /nfs/dbraw/zinc/30/81/52/172308152.db2.gz ZJIXYQGASNQNNS-STQMWFEESA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2ccccn2)c1 ZINC000035628781 172308457 /nfs/dbraw/zinc/30/84/57/172308457.db2.gz JIVMJJFNBNQFQW-CHWSQXEVSA-N 0 3 256.349 3.507 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000035628665 260030724 /nfs/dbraw/zinc/03/07/24/260030724.db2.gz JZAXHKDWNMYKLL-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000035628666 260030731 /nfs/dbraw/zinc/03/07/31/260030731.db2.gz JZAXHKDWNMYKLL-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(OC(F)F)c1 ZINC000036935075 260053838 /nfs/dbraw/zinc/05/38/38/260053838.db2.gz CYXOSNWYTHFQGO-NSHDSACASA-N 0 3 293.313 3.844 20 10 CHCDHN Cc1ccc(O)c(CNC2(c3cccc(F)c3)CC2)c1 ZINC000152861803 261070830 /nfs/dbraw/zinc/07/08/30/261070830.db2.gz BETOWXIXYWKCLY-UHFFFAOYSA-N 0 3 271.335 3.619 20 10 CHCDHN COc1cccc(CN2CCC[C@H]2c2ccsc2)c1O ZINC000153552188 261080413 /nfs/dbraw/zinc/08/04/13/261080413.db2.gz NOLKLKGXDRVZDL-AWEZNQCLSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H]2c2ccsc2)c1[O-] ZINC000153552188 261080415 /nfs/dbraw/zinc/08/04/15/261080415.db2.gz NOLKLKGXDRVZDL-AWEZNQCLSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H]2c2ccsc2)c1[O-] ZINC000153552188 261080416 /nfs/dbraw/zinc/08/04/16/261080416.db2.gz NOLKLKGXDRVZDL-AWEZNQCLSA-N 0 3 289.400 3.799 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](OC)c1ccccc1)c1ccccc1[O-] ZINC000155259355 261100102 /nfs/dbraw/zinc/10/01/02/261100102.db2.gz XFVTUFBZVOBTMR-AEFFLSMTSA-N 0 3 285.387 3.821 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccccc1[O-] ZINC000156052485 261112465 /nfs/dbraw/zinc/11/24/65/261112465.db2.gz SMOLYRDZQXHDDK-GXTWGEPZSA-N 0 3 265.397 3.637 20 10 CHCDHN CC[C@H]([NH2+][C@@H](COC)c1ccccc1)c1ccccc1[O-] ZINC000156573279 261126323 /nfs/dbraw/zinc/12/63/23/261126323.db2.gz VCSHDHHASOZJRR-IRXDYDNUSA-N 0 3 285.387 3.821 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](COC)c1ccccc1)c1ccccc1[O-] ZINC000156573392 261126491 /nfs/dbraw/zinc/12/64/91/261126491.db2.gz VCSHDHHASOZJRR-SJORKVTESA-N 0 3 285.387 3.821 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1[O-] ZINC000158169251 261159835 /nfs/dbraw/zinc/15/98/35/261159835.db2.gz OYSGCKZZGIGBKB-QOKNQOGYSA-N 0 3 297.398 3.963 20 10 CHCDHN CC[C@H](N[C@H](C)c1cccnc1)c1ccc(N(C)C)cc1 ZINC000158521738 261166661 /nfs/dbraw/zinc/16/66/61/261166661.db2.gz MDNDANHTOKLQGS-KDOFPFPSSA-N 0 3 283.419 3.950 20 10 CHCDHN CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000249370314 261250064 /nfs/dbraw/zinc/25/00/64/261250064.db2.gz AKWOZKOBNZUWOX-CABCVRRESA-N 0 3 298.430 3.538 20 10 CHCDHN COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1F ZINC000184927819 262034169 /nfs/dbraw/zinc/03/41/69/262034169.db2.gz RBNJLIOAUFBIJG-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)nc2)c([O-])c1 ZINC000185074220 262039863 /nfs/dbraw/zinc/03/98/63/262039863.db2.gz VDTKTRXMVYQCRU-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)c([O-])c1 ZINC000185525929 262058844 /nfs/dbraw/zinc/05/88/44/262058844.db2.gz OBQWECCVXJAJCL-NVXWUHKLSA-N 0 3 299.414 3.517 20 10 CHCDHN Cc1nc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])sc1C ZINC000185797878 262071728 /nfs/dbraw/zinc/07/17/28/262071728.db2.gz OHTKPXOAGAGNPR-GFCCVEGCSA-N 0 3 290.432 3.667 20 10 CHCDHN COc1cc(C)cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000186156428 262081812 /nfs/dbraw/zinc/08/18/12/262081812.db2.gz JZDKYPJJFOGDDD-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccccc1[O-] ZINC000186207821 262084560 /nfs/dbraw/zinc/08/45/60/262084560.db2.gz HSXDEFPATSDSEA-WMZOPIPTSA-N 0 3 299.414 3.599 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])n1 ZINC000186561793 262099202 /nfs/dbraw/zinc/09/92/02/262099202.db2.gz WVOIPWXVSNRTFL-AAEUAGOBSA-N 0 3 290.432 3.920 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c([O-])c1 ZINC000293922983 264988739 /nfs/dbraw/zinc/98/87/39/264988739.db2.gz XLNJZMOEKAGHBJ-HNAYVOBHSA-N 0 3 299.414 3.567 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000179097083 327799525 /nfs/dbraw/zinc/79/95/25/327799525.db2.gz HYFSYWBMTTUKNR-GFCCVEGCSA-N 0 3 289.810 3.652 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])c1ccncc1 ZINC000185541137 327840474 /nfs/dbraw/zinc/84/04/74/327840474.db2.gz FAMWYAVPJXPNRK-LRDDRELGSA-N 0 3 286.375 3.598 20 10 CHCDHN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185564759 327841427 /nfs/dbraw/zinc/84/14/27/327841427.db2.gz BTCXRNYNKLCSOK-STQMWFEESA-N 0 3 265.397 3.555 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)c1 ZINC000185833502 327847150 /nfs/dbraw/zinc/84/71/50/327847150.db2.gz BDCDYPLDPWECJA-CLCXKQKWSA-N 0 3 299.414 3.863 20 10 CHCDHN CN(C)c1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000131307763 327161409 /nfs/dbraw/zinc/16/14/09/327161409.db2.gz ASERPFZEQHWBGB-UHFFFAOYSA-N 0 3 290.357 3.980 20 10 CHCDHN C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184569709 329259954 /nfs/dbraw/zinc/25/99/54/329259954.db2.gz GVHHDCFXEAUEEC-MLGOLLRUSA-N 0 3 286.350 3.509 20 10 CHCDHN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184569709 329259956 /nfs/dbraw/zinc/25/99/56/329259956.db2.gz GVHHDCFXEAUEEC-MLGOLLRUSA-N 0 3 286.350 3.509 20 10 CHCDHN Cc1cccc2c1OCC[C@H]2NCc1ccc(N(C)C)cc1 ZINC000188880675 329374050 /nfs/dbraw/zinc/37/40/50/329374050.db2.gz XMSQCWUUZXGIQM-GOSISDBHSA-N 0 3 296.414 3.674 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccnc2C)c1[O-] ZINC000527984696 330298541 /nfs/dbraw/zinc/29/85/41/330298541.db2.gz DCVAXLYDQRGQSM-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2C)c([O-])c1C ZINC000527986742 330298682 /nfs/dbraw/zinc/29/86/82/330298682.db2.gz LXAONIPGQLXIKQ-CQSZACIVSA-N 0 3 270.376 3.563 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cccnc2C)c(O)c1C ZINC000527986742 330298683 /nfs/dbraw/zinc/29/86/83/330298683.db2.gz LXAONIPGQLXIKQ-CQSZACIVSA-N 0 3 270.376 3.563 20 10 CHCDHN COc1cccc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295771522 533776714 /nfs/dbraw/zinc/77/67/14/533776714.db2.gz AJPRBUWNQQFBIZ-BLLLJJGKSA-N 0 3 283.371 3.739 20 10 CHCDHN CCc1nc(C)c(CN[C@@H](CC)c2ccc(C)cc2O)o1 ZINC000291935103 522209177 /nfs/dbraw/zinc/20/91/77/522209177.db2.gz PDSQDCJANNOEEI-AWEZNQCLSA-N 0 3 288.391 3.800 20 10 CHCDHN CC[C@H]([NH2+]CC1(CC)CCOCC1)c1ccc(C)cc1[O-] ZINC000279968233 522569998 /nfs/dbraw/zinc/56/99/98/522569998.db2.gz CTZFCHGNWIOTTG-INIZCTEOSA-N 0 3 291.435 3.948 20 10 CHCDHN CC[C@H]([NH2+]CC1CCSCC1)c1ccccc1[O-] ZINC000229222006 522576575 /nfs/dbraw/zinc/57/65/75/522576575.db2.gz GTSDKQUMWYZWMS-AWEZNQCLSA-N 0 3 265.422 3.576 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000290161520 522693011 /nfs/dbraw/zinc/69/30/11/522693011.db2.gz DETHPXILTXEBIK-UCLAIMLFSA-N 0 3 299.414 3.863 20 10 CHCDHN CC[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000279988778 522744797 /nfs/dbraw/zinc/74/47/97/522744797.db2.gz FFAIWBFHSOSJFY-ZWKOTPCHSA-N 0 3 299.414 3.865 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(C)cc1[O-] ZINC000280269179 522755483 /nfs/dbraw/zinc/75/54/83/522755483.db2.gz XTSJOZODXFZHLC-ZVZYQTTQSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)c1ccc(C)cc1[O-] ZINC000279977641 522757525 /nfs/dbraw/zinc/75/75/25/522757525.db2.gz DIQNVQYNVFHRMH-ZVZYQTTQSA-N 0 3 291.435 3.945 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(C)cc1[O-] ZINC000280270948 522939837 /nfs/dbraw/zinc/93/98/37/522939837.db2.gz XWYAPMVQVFOAPL-MLGOLLRUSA-N 0 3 287.407 3.544 20 10 CHCDHN CN(Cc1ccncc1)Cc1ccc(N2CCCCC2)cc1 ZINC000248133070 523461740 /nfs/dbraw/zinc/46/17/40/523461740.db2.gz QZBYORWDCAKWJE-UHFFFAOYSA-N 0 3 295.430 3.704 20 10 CHCDHN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276071222 523899395 /nfs/dbraw/zinc/89/93/95/523899395.db2.gz LYSYHVWGEXLREU-UONOGXRCSA-N 0 3 285.387 3.572 20 10 CHCDHN COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617665 524153088 /nfs/dbraw/zinc/15/30/88/524153088.db2.gz GSNCQJDQDNJLDY-RYUDHWBXSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccs2)c([O-])c1 ZINC000283880776 524332808 /nfs/dbraw/zinc/33/28/08/524332808.db2.gz CDIHLMSYCKKFEK-LBPRGKRZSA-N 0 3 261.390 3.921 20 10 CHCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CCC(F)(F)CC2)c1 ZINC000290095771 525338219 /nfs/dbraw/zinc/33/82/19/525338219.db2.gz HKZYJLZUMYLIOL-UHFFFAOYSA-N 0 3 269.335 3.710 20 10 CHCDHN Cc1ccc([O-])c(C[N@H+](C)C2CCC(F)(F)CC2)c1 ZINC000290095771 525338224 /nfs/dbraw/zinc/33/82/24/525338224.db2.gz HKZYJLZUMYLIOL-UHFFFAOYSA-N 0 3 269.335 3.710 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000071409282 525351188 /nfs/dbraw/zinc/35/11/88/525351188.db2.gz RGKNLHBUGJNLBE-CQSZACIVSA-N 0 3 273.401 3.929 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000071406523 525354977 /nfs/dbraw/zinc/35/49/77/525354977.db2.gz XRKMCKLCZSOTES-KRWDZBQOSA-N 0 3 267.372 3.868 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1OC(F)F ZINC000037084591 525461947 /nfs/dbraw/zinc/46/19/47/525461947.db2.gz MZZDWMIYGUIYOS-NSHDSACASA-N 0 3 293.313 3.844 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000037775500 525534814 /nfs/dbraw/zinc/53/48/14/525534814.db2.gz RPFBFHMWJZKYGP-RYUDHWBXSA-N 0 3 286.331 3.712 20 10 CHCDHN C[C@@H](NCc1ccsc1)c1ccc(N(C)C)cc1 ZINC000063152437 525547518 /nfs/dbraw/zinc/54/75/18/525547518.db2.gz AZORHGPKZSCQSK-GFCCVEGCSA-N 0 3 260.406 3.665 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000037775501 525614566 /nfs/dbraw/zinc/61/45/66/525614566.db2.gz RPFBFHMWJZKYGP-NEPJUHHUSA-N 0 3 286.331 3.712 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc32)c([O-])c1C ZINC000290334257 525730979 /nfs/dbraw/zinc/73/09/79/525730979.db2.gz OZYDGFKVKWKZBU-CABCVRRESA-N 0 3 297.398 3.836 20 10 CHCDHN COc1cccc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)c1[O-] ZINC000291755413 526020197 /nfs/dbraw/zinc/02/01/97/526020197.db2.gz QSMYXQHJCWSFES-LBPRGKRZSA-N 0 3 299.361 3.706 20 10 CHCDHN CCC(CC)(CCO)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185620790 1117858225 /nfs/dbraw/zinc/85/82/25/1117858225.db2.gz URRYWCPAMFBOLZ-CQSZACIVSA-N 0 3 279.424 3.540 20 10 CHCDHN CN(C)c1ccc(CN2CCCCC23CC3)c(Cl)c1 ZINC001140924636 1120098045 /nfs/dbraw/zinc/09/80/45/1120098045.db2.gz KAJBNNWTYSWQOX-UHFFFAOYSA-N 0 3 278.827 3.925 20 10 CHCDHN CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000312436626 1120411011 /nfs/dbraw/zinc/41/10/11/1120411011.db2.gz BDJZZGRKKWHRJU-GFCCVEGCSA-N 0 3 291.288 3.694 20 10 CHCDHN CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000312436626 1120411015 /nfs/dbraw/zinc/41/10/15/1120411015.db2.gz BDJZZGRKKWHRJU-GFCCVEGCSA-N 0 3 291.288 3.694 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000775737055 1122929191 /nfs/dbraw/zinc/92/91/91/1122929191.db2.gz NXWGJKWGEHFONA-MWLCHTKSSA-N 0 3 253.773 3.584 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCCC[C@H]2C)c1[O-] ZINC000211390537 1125304310 /nfs/dbraw/zinc/30/43/10/1125304310.db2.gz PMNXCMBEDMHUSO-CYBMUJFWSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCCC[C@H]2C)c1[O-] ZINC000211390537 1125304314 /nfs/dbraw/zinc/30/43/14/1125304314.db2.gz PMNXCMBEDMHUSO-CYBMUJFWSA-N 0 3 263.381 3.555 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(Cl)cc1[O-] ZINC000841756184 1125595460 /nfs/dbraw/zinc/59/54/60/1125595460.db2.gz UTTZCKQSJWDYEQ-YUTCNCBUSA-N 0 3 296.842 3.569 20 10 CHCDHN C[C@H](N[C@@H]1COCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000841762355 1125602009 /nfs/dbraw/zinc/60/20/09/1125602009.db2.gz WNLZVJPYKYALCN-IFXJQAMLSA-N 0 3 296.414 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)c1[O-] ZINC000717154697 1125615457 /nfs/dbraw/zinc/61/54/57/1125615457.db2.gz MEDABRMSTCUFKT-MJVIPROJSA-N 0 3 295.810 3.580 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)c1 ZINC000886343533 1125671207 /nfs/dbraw/zinc/67/12/07/1125671207.db2.gz ZRGHCVFKFIYQBG-KRWDZBQOSA-N 0 3 289.419 3.530 20 10 CHCDHN Cc1cc(O)c(CNC2(c3ccccc3F)CC2)cc1C ZINC000174410200 1126770123 /nfs/dbraw/zinc/77/01/23/1126770123.db2.gz OETNOTINKQDYPB-UHFFFAOYSA-N 0 3 285.362 3.927 20 10 CHCDHN CC[C@](C)(NCc1ccccc1O)c1nc(C)cs1 ZINC000174503539 1126770733 /nfs/dbraw/zinc/77/07/33/1126770733.db2.gz YEBKZYGYMXMULR-HNNXBMFYSA-N 0 3 276.405 3.572 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccccc1[O-] ZINC000903285402 1126799068 /nfs/dbraw/zinc/79/90/68/1126799068.db2.gz ZILPDGBUEHMVCV-NEPJUHHUSA-N 0 3 265.422 3.717 20 10 CHCDHN COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183555805 1126888531 /nfs/dbraw/zinc/88/85/31/1126888531.db2.gz WGAPWPOBMIVFQF-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN CCOCCC1(C[NH2+][C@H](C)c2ccccc2[O-])CCC1 ZINC000183618972 1126889950 /nfs/dbraw/zinc/88/99/50/1126889950.db2.gz VMXILMKYMFPCNH-CQSZACIVSA-N 0 3 277.408 3.640 20 10 CHCDHN CC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000269763132 1127046286 /nfs/dbraw/zinc/04/62/86/1127046286.db2.gz CSXHUWUPBUGRRS-UHFFFAOYSA-N 0 3 297.398 3.718 20 10 CHCDHN C[C@@H](CO)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000270248334 1127052151 /nfs/dbraw/zinc/05/21/51/1127052151.db2.gz FNIDJCNJBQKWRW-OAHLLOKOSA-N 0 3 299.414 3.557 20 10 CHCDHN CC1(C)CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237110306 1131052084 /nfs/dbraw/zinc/05/20/84/1131052084.db2.gz DTIQPDUHRCPMQS-UHFFFAOYSA-N 0 3 289.297 3.523 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](CC2CC2)C2CC2)c1[O-] ZINC001237687462 1131129009 /nfs/dbraw/zinc/12/90/09/1131129009.db2.gz CJCLDUHGYRYARA-UHFFFAOYSA-N 0 3 265.784 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](CC2CC2)C2CC2)c1[O-] ZINC001237687462 1131129014 /nfs/dbraw/zinc/12/90/14/1131129014.db2.gz CJCLDUHGYRYARA-UHFFFAOYSA-N 0 3 265.784 3.728 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000285363965 1127224249 /nfs/dbraw/zinc/22/42/49/1127224249.db2.gz VTGLBXYTAIMYGX-HNNXBMFYSA-N 0 3 291.435 3.866 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1F ZINC000166044223 1127258593 /nfs/dbraw/zinc/25/85/93/1127258593.db2.gz OSLNBHVXFWTSAH-OAHLLOKOSA-N 0 3 259.324 3.772 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC001238059044 1131164657 /nfs/dbraw/zinc/16/46/57/1131164657.db2.gz ZCPRGHWEVAKWQB-TXEJJXNPSA-N 0 3 251.345 3.603 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC001238059044 1131164658 /nfs/dbraw/zinc/16/46/58/1131164658.db2.gz ZCPRGHWEVAKWQB-TXEJJXNPSA-N 0 3 251.345 3.603 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C)[C@@H](C)C2)c1[O-] ZINC001238058760 1131165487 /nfs/dbraw/zinc/16/54/87/1131165487.db2.gz VKNHJNAQXLEKER-AAEUAGOBSA-N 0 3 265.372 3.708 20 10 CHCDHN Cc1c2ccccc2n(C)c1CNCc1cnn(C(C)C)c1 ZINC000355112020 1127317784 /nfs/dbraw/zinc/31/77/84/1127317784.db2.gz DQVLLALDYQNQOA-UHFFFAOYSA-N 0 3 296.418 3.554 20 10 CHCDHN COC[C@@H](NCc1ccccc1O)c1cccc(Cl)c1 ZINC000288570706 1127348194 /nfs/dbraw/zinc/34/81/94/1127348194.db2.gz NAYZACXIVROLTC-OAHLLOKOSA-N 0 3 291.778 3.523 20 10 CHCDHN Cc1cc(O)c(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1C ZINC000288544450 1127346553 /nfs/dbraw/zinc/34/65/53/1127346553.db2.gz LBBSCHLLNYNZHH-ACJLOTCBSA-N 0 3 283.371 3.621 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000226562066 1127411103 /nfs/dbraw/zinc/41/11/03/1127411103.db2.gz FGOZTPPCEIGIGN-INIZCTEOSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000226562066 1127411104 /nfs/dbraw/zinc/41/11/04/1127411104.db2.gz FGOZTPPCEIGIGN-INIZCTEOSA-N 0 3 271.335 3.868 20 10 CHCDHN Cc1cc(CN(C)[C@@H](C)c2ccccn2)ccc1N(C)C ZINC000293771697 1127519221 /nfs/dbraw/zinc/51/92/21/1127519221.db2.gz KYWRPFSXLYWHIY-HNNXBMFYSA-N 0 3 283.419 3.649 20 10 CHCDHN Cc1cc(CN(C)[C@H](C)c2cccnc2)ccc1N(C)C ZINC000293749624 1127517574 /nfs/dbraw/zinc/51/75/74/1127517574.db2.gz IOTFSXMOYJIPLC-OAHLLOKOSA-N 0 3 283.419 3.649 20 10 CHCDHN CC[C@H](NCc1occc1C)c1ccc(N(C)C)cc1 ZINC000293877129 1127529032 /nfs/dbraw/zinc/52/90/32/1127529032.db2.gz YMOQKUURUXQWLE-INIZCTEOSA-N 0 3 272.392 3.895 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCSC2)c([O-])c1 ZINC000294008512 1127541821 /nfs/dbraw/zinc/54/18/21/1127541821.db2.gz DENOTHUTCZRINO-KGLIPLIRSA-N 0 3 279.449 3.803 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2CCCCCCC2)c1[O-] ZINC000228562307 1127567641 /nfs/dbraw/zinc/56/76/41/1127567641.db2.gz JUSBPPLUHXFSFK-UHFFFAOYSA-N 0 3 283.799 3.820 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H](C)C2)c1[O-] ZINC000228670585 1127583030 /nfs/dbraw/zinc/58/30/30/1127583030.db2.gz LOAQSJXTHRIJCL-GWCFXTLKSA-N 0 3 283.799 3.723 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c(C)c1 ZINC000296129260 1127663549 /nfs/dbraw/zinc/66/35/49/1127663549.db2.gz VQLYDEIKDWQHOY-MRXNPFEDSA-N 0 3 267.372 3.786 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000312010512 1127971952 /nfs/dbraw/zinc/97/19/52/1127971952.db2.gz WGPZCKMBMGVJHA-MRXNPFEDSA-N 0 3 259.393 3.985 20 10 CHCDHN CCc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000312843471 1128093886 /nfs/dbraw/zinc/09/38/86/1128093886.db2.gz PIPXMSCTTJTAOY-INIZCTEOSA-N 0 3 267.372 3.732 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H](C)C2)c([O-])c1 ZINC000927032731 1128209480 /nfs/dbraw/zinc/20/94/80/1128209480.db2.gz OPYVQMQTQJJAPC-FRRDWIJNSA-N 0 3 265.422 3.635 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000927101528 1128217545 /nfs/dbraw/zinc/21/75/45/1128217545.db2.gz NSYKZECQUGWPRC-KBPBESRZSA-N 0 3 291.435 3.945 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC3(CCC3)O2)c([O-])c1 ZINC000927128863 1128220949 /nfs/dbraw/zinc/22/09/49/1128220949.db2.gz MZUZQGZIZDTFIB-GJZGRUSLSA-N 0 3 289.419 3.843 20 10 CHCDHN Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000777825264 1128288266 /nfs/dbraw/zinc/28/82/66/1128288266.db2.gz RUONYXIEMLTNER-OAHLLOKOSA-N 0 3 269.388 3.764 20 10 CHCDHN Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000777825264 1128288267 /nfs/dbraw/zinc/28/82/67/1128288267.db2.gz RUONYXIEMLTNER-OAHLLOKOSA-N 0 3 269.388 3.764 20 10 CHCDHN CCCN(Cc1c(C)noc1CC)Cc1ccccc1O ZINC000929752686 1128285262 /nfs/dbraw/zinc/28/52/62/1128285262.db2.gz DNEIAISVOYMXMO-UHFFFAOYSA-N 0 3 288.391 3.663 20 10 CHCDHN CCC[N@H+](Cc1c(C)noc1CC)Cc1ccccc1[O-] ZINC000929752686 1128285265 /nfs/dbraw/zinc/28/52/65/1128285265.db2.gz DNEIAISVOYMXMO-UHFFFAOYSA-N 0 3 288.391 3.663 20 10 CHCDHN CCC[N@@H+](Cc1c(C)noc1CC)Cc1ccccc1[O-] ZINC000929752686 1128285266 /nfs/dbraw/zinc/28/52/66/1128285266.db2.gz DNEIAISVOYMXMO-UHFFFAOYSA-N 0 3 288.391 3.663 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2CC3(CCC3)C2)c([O-])c1 ZINC001235682867 1128348380 /nfs/dbraw/zinc/34/83/80/1128348380.db2.gz QVWSXCNISSLUSC-UHFFFAOYSA-N 0 3 259.393 3.676 20 10 CHCDHN CCC[N@H+](Cc1ccc(C)cn1)Cc1ccccc1[O-] ZINC000154157061 1128453271 /nfs/dbraw/zinc/45/32/71/1128453271.db2.gz OICNGISILNTISZ-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1ccc(C)cn1)Cc1ccccc1[O-] ZINC000154157061 1128453274 /nfs/dbraw/zinc/45/32/74/1128453274.db2.gz OICNGISILNTISZ-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccccc1[O-] ZINC000155668496 1128610484 /nfs/dbraw/zinc/61/04/84/1128610484.db2.gz GVXNRXFZMBCYGZ-GUYCJALGSA-N 0 3 285.387 3.770 20 10 CHCDHN CC(C)[C@@H](C)[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000778988667 1128673782 /nfs/dbraw/zinc/67/37/82/1128673782.db2.gz KFRUNMOBAXHXBT-LLVKDONJSA-N 0 3 251.345 3.540 20 10 CHCDHN CC(C)[C@@H](C)[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000778988667 1128673784 /nfs/dbraw/zinc/67/37/84/1128673784.db2.gz KFRUNMOBAXHXBT-LLVKDONJSA-N 0 3 251.345 3.540 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])Cc2ccccc21 ZINC000778995383 1128675299 /nfs/dbraw/zinc/67/52/99/1128675299.db2.gz RJLJRPFURCUAGD-GFCCVEGCSA-N 0 3 271.335 3.651 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])Cc2ccccc21 ZINC000778995383 1128675300 /nfs/dbraw/zinc/67/53/00/1128675300.db2.gz RJLJRPFURCUAGD-GFCCVEGCSA-N 0 3 271.335 3.651 20 10 CHCDHN Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000779010495 1128676793 /nfs/dbraw/zinc/67/67/93/1128676793.db2.gz WWWZBHDMNPNSHP-GOSISDBHSA-N 0 3 281.399 3.908 20 10 CHCDHN Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000779010495 1128676794 /nfs/dbraw/zinc/67/67/94/1128676794.db2.gz WWWZBHDMNPNSHP-GOSISDBHSA-N 0 3 281.399 3.908 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000779009704 1128677035 /nfs/dbraw/zinc/67/70/35/1128677035.db2.gz DMUOPRMSMMLTMV-KRWDZBQOSA-N 0 3 281.399 3.847 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000779009704 1128677036 /nfs/dbraw/zinc/67/70/36/1128677036.db2.gz DMUOPRMSMMLTMV-KRWDZBQOSA-N 0 3 281.399 3.847 20 10 CHCDHN COc1cc([O-])c(C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000159453537 1128695906 /nfs/dbraw/zinc/69/59/06/1128695906.db2.gz STMJLJVRJVYALQ-UHFFFAOYSA-N 0 3 295.423 3.523 20 10 CHCDHN Cc1ccc(CC[C@H](C)[NH2+]Cc2cc(F)ccc2[O-])o1 ZINC000779088571 1128727881 /nfs/dbraw/zinc/72/78/81/1128727881.db2.gz SAHJPAZNECPMCH-NSHDSACASA-N 0 3 277.339 3.544 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)c([O-])c1 ZINC000185405158 1117818458 /nfs/dbraw/zinc/81/84/58/1117818458.db2.gz NRMDKDGYETVXCZ-GJZGRUSLSA-N 0 3 297.398 3.918 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c([O-])c1 ZINC000185405196 1117818996 /nfs/dbraw/zinc/81/89/96/1117818996.db2.gz NRMDKDGYETVXCZ-LSDHHAIUSA-N 0 3 297.398 3.918 20 10 CHCDHN C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000185472180 1117828623 /nfs/dbraw/zinc/82/86/23/1117828623.db2.gz YDHCUGSVKSFKNS-LRDDRELGSA-N 0 3 296.430 3.548 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c([O-])c1 ZINC000185528155 1117838072 /nfs/dbraw/zinc/83/80/72/1117838072.db2.gz JCAVJRGASMXXER-YOEHRIQHSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](CCO)C2CCCCC2)c([O-])c1 ZINC000185829270 1117913991 /nfs/dbraw/zinc/91/39/91/1117913991.db2.gz ADJGUEVBYKQSQR-WMLDXEAASA-N 0 3 291.435 3.683 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000186018094 1117968513 /nfs/dbraw/zinc/96/85/13/1117968513.db2.gz IQELHKGMOMHQTA-SUYBPPKGSA-N 0 3 285.362 3.986 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)c([O-])c1 ZINC000186041045 1117974859 /nfs/dbraw/zinc/97/48/59/1117974859.db2.gz JJJJHWJPLZTNNC-HUUCEWRRSA-N 0 3 285.387 3.819 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000179555485 1128747938 /nfs/dbraw/zinc/74/79/38/1128747938.db2.gz QAIAKOMVXIYADA-QGZVFWFLSA-N 0 3 267.372 3.599 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000179555485 1128747942 /nfs/dbraw/zinc/74/79/42/1128747942.db2.gz QAIAKOMVXIYADA-QGZVFWFLSA-N 0 3 267.372 3.599 20 10 CHCDHN CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186093754 1117990357 /nfs/dbraw/zinc/99/03/57/1117990357.db2.gz ULNJLEWFMGXBAK-OGHNNQOOSA-N 0 3 295.398 3.633 20 10 CHCDHN CC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179647538 1128752687 /nfs/dbraw/zinc/75/26/87/1128752687.db2.gz MJSQBUXBCPQAHC-YJBOKZPZSA-N 0 3 299.414 3.726 20 10 CHCDHN CC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179647538 1128752690 /nfs/dbraw/zinc/75/26/90/1128752690.db2.gz MJSQBUXBCPQAHC-YJBOKZPZSA-N 0 3 299.414 3.726 20 10 CHCDHN C[C@@H]([NH2+]C/C=C\c1cccc(F)c1)c1ccccc1[O-] ZINC001203536483 1118147821 /nfs/dbraw/zinc/14/78/21/1118147821.db2.gz VMHQPBZWZOZTPH-SCXUMTSISA-N 0 3 271.335 3.895 20 10 CHCDHN Cc1occc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000765395384 1118148553 /nfs/dbraw/zinc/14/85/53/1118148553.db2.gz IJXASYYTFXXNHU-GFCCVEGCSA-N 0 3 258.365 3.505 20 10 CHCDHN CC[C@@H]([NH2+]CCC1(COC)CC1)c1ccc(C)cc1[O-] ZINC000842890568 1118157635 /nfs/dbraw/zinc/15/76/35/1118157635.db2.gz HSZYTMXRCBKSRJ-OAHLLOKOSA-N 0 3 277.408 3.558 20 10 CHCDHN C[C@H]([NH2+]CCOC1CCCCCC1)c1ccccc1[O-] ZINC000179875630 1128763807 /nfs/dbraw/zinc/76/38/07/1128763807.db2.gz UIXGQWGMVQZBDZ-AWEZNQCLSA-N 0 3 277.408 3.782 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000188692765 1128764382 /nfs/dbraw/zinc/76/43/82/1128764382.db2.gz JDBXKNQBWOUTAT-UHFFFAOYSA-N 0 3 273.401 3.833 20 10 CHCDHN C[C@H]([NH2+]CCO[C@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000179899048 1128764530 /nfs/dbraw/zinc/76/45/30/1128764530.db2.gz NOAFLZSUMYVRFM-ZQIUZPCESA-N 0 3 277.408 3.638 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000179900521 1128765310 /nfs/dbraw/zinc/76/53/10/1128765310.db2.gz BKYPHZFACGNKFI-LLVKDONJSA-N 0 3 277.314 3.564 20 10 CHCDHN C[C@H](c1ccco1)N(Cc1cc(F)ccc1O)C1CC1 ZINC000179984974 1128769975 /nfs/dbraw/zinc/76/99/75/1128769975.db2.gz LJKUWBRBKPLNPF-LLVKDONJSA-N 0 3 275.323 3.850 20 10 CHCDHN COc1cccc(C2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000180023350 1128771761 /nfs/dbraw/zinc/77/17/61/1128771761.db2.gz LNVYZSAYMCLUAK-UHFFFAOYSA-N 0 3 297.398 3.780 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccc1F ZINC001203556181 1118368692 /nfs/dbraw/zinc/36/86/92/1118368692.db2.gz MKPRKNMKCJCVOT-MRXNPFEDSA-N 0 3 271.335 3.868 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001203556181 1118368695 /nfs/dbraw/zinc/36/86/95/1118368695.db2.gz MKPRKNMKCJCVOT-MRXNPFEDSA-N 0 3 271.335 3.868 20 10 CHCDHN CSCC1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000296335476 1118574905 /nfs/dbraw/zinc/57/49/05/1118574905.db2.gz HNXKBHXAUUGBHZ-HSBZDZAISA-N 0 3 279.449 3.965 20 10 CHCDHN CC1CCN(c2ccc(CNCc3ccncc3)cc2)CC1 ZINC000108423578 1119025739 /nfs/dbraw/zinc/02/57/39/1119025739.db2.gz OIZDJBOFMVKAMW-UHFFFAOYSA-N 0 3 295.430 3.608 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000051630634 1119059449 /nfs/dbraw/zinc/05/94/49/1119059449.db2.gz PDUOEDIFTXLFGN-FUHWJXTLSA-N 0 3 281.399 3.990 20 10 CHCDHN CCOCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000176673085 1119092615 /nfs/dbraw/zinc/09/26/15/1119092615.db2.gz CNGKRBQFXIGULQ-MRXNPFEDSA-N 0 3 299.414 3.992 20 10 CHCDHN CCOCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000176673085 1119092618 /nfs/dbraw/zinc/09/26/18/1119092618.db2.gz CNGKRBQFXIGULQ-MRXNPFEDSA-N 0 3 299.414 3.992 20 10 CHCDHN C[C@H]1CCC[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000226562211 1119156841 /nfs/dbraw/zinc/15/68/41/1119156841.db2.gz AWELTMRVDQJAAH-SMDDNHRTSA-N 0 3 251.345 3.542 20 10 CHCDHN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000226562211 1119156843 /nfs/dbraw/zinc/15/68/43/1119156843.db2.gz AWELTMRVDQJAAH-SMDDNHRTSA-N 0 3 251.345 3.542 20 10 CHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C2CC2)cc1 ZINC000179554077 1119750763 /nfs/dbraw/zinc/75/07/63/1119750763.db2.gz VZVVPAXATAJTHE-UHFFFAOYSA-N 0 3 283.371 3.565 20 10 CHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CC2)cc1 ZINC000179554077 1119750764 /nfs/dbraw/zinc/75/07/64/1119750764.db2.gz VZVVPAXATAJTHE-UHFFFAOYSA-N 0 3 283.371 3.565 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000179575787 1119751549 /nfs/dbraw/zinc/75/15/49/1119751549.db2.gz MTJPDPXSBOJCMI-KRWDZBQOSA-N 0 3 257.377 3.715 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000179575787 1119751553 /nfs/dbraw/zinc/75/15/53/1119751553.db2.gz MTJPDPXSBOJCMI-KRWDZBQOSA-N 0 3 257.377 3.715 20 10 CHCDHN C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1[O-] ZINC000376127969 1119840113 /nfs/dbraw/zinc/84/01/13/1119840113.db2.gz IJMFGQPJKINEMX-AWEZNQCLSA-N 0 3 282.387 3.560 20 10 CHCDHN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cncc(F)c1 ZINC000177975196 1119893931 /nfs/dbraw/zinc/89/39/31/1119893931.db2.gz MNJQNGSFMHURNP-CQSZACIVSA-N 0 3 299.393 3.672 20 10 CHCDHN COc1cccc(CN2CCc3sccc3[C@H]2C)c1O ZINC000271018986 1120226504 /nfs/dbraw/zinc/22/65/04/1120226504.db2.gz AYZAPYHKWGZKDK-LLVKDONJSA-N 0 3 289.400 3.582 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1c(C)noc1C ZINC000183630540 1120344061 /nfs/dbraw/zinc/34/40/61/1120344061.db2.gz JGYHBSRHWXKGNM-HZMBPMFUSA-N 0 3 274.364 3.799 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c([O-])c1 ZINC000185451972 1120376989 /nfs/dbraw/zinc/37/69/89/1120376989.db2.gz BEOHRSANYQUZOW-CQSZACIVSA-N 0 3 297.398 3.529 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccn2)c([O-])c1 ZINC000692692158 1120488671 /nfs/dbraw/zinc/48/86/71/1120488671.db2.gz QIHTVERSFCESMH-ZIAGYGMSSA-N 0 3 270.376 3.550 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1cc(F)ccc1[O-] ZINC000756578869 1120552410 /nfs/dbraw/zinc/55/24/10/1120552410.db2.gz XHSFXGNGQJXJQO-SNVBAGLBSA-N 0 3 295.304 3.703 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])n1 ZINC000186573107 1120587291 /nfs/dbraw/zinc/58/72/91/1120587291.db2.gz OFDFHEKWTYTUJZ-WCQYABFASA-N 0 3 290.432 3.920 20 10 CHCDHN CC(C)([NH2+]Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000236699284 1120599549 /nfs/dbraw/zinc/59/95/49/1120599549.db2.gz MWWRVXVENQOTDX-UHFFFAOYSA-N 0 3 259.324 3.556 20 10 CHCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000313529982 1120747647 /nfs/dbraw/zinc/74/76/47/1120747647.db2.gz MUEQEGMRLKXXDB-XJKSGUPXSA-N 0 3 267.372 3.773 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)COC3)c([O-])c1 ZINC000756759434 1120804362 /nfs/dbraw/zinc/80/43/62/1120804362.db2.gz KJGWNDUILIVIDQ-ZDUSSCGKSA-N 0 3 283.371 3.582 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)c2c1c(F)ccc2[O-] ZINC000756771224 1120821837 /nfs/dbraw/zinc/82/18/37/1120821837.db2.gz SQHLXDNLAJETPX-MDZLAQPJSA-N 0 3 293.382 3.627 20 10 CHCDHN COc1cccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185040565 1120909354 /nfs/dbraw/zinc/90/93/54/1120909354.db2.gz KJXVAFQHIDSQIS-AWEZNQCLSA-N 0 3 285.387 3.603 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCC13CC3)CC2 ZINC000707057399 1121449106 /nfs/dbraw/zinc/44/91/06/1121449106.db2.gz KCNFUJJVFZPTNR-ZIAGYGMSSA-N 0 3 257.377 3.549 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000708455665 1121464456 /nfs/dbraw/zinc/46/44/56/1121464456.db2.gz XSLWAOARBFCHHZ-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000708455665 1121464459 /nfs/dbraw/zinc/46/44/59/1121464459.db2.gz XSLWAOARBFCHHZ-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1ccc(CN[C@]2(C)CCOc3ccccc32)cc1C ZINC000923025723 1121513799 /nfs/dbraw/zinc/51/37/99/1121513799.db2.gz OAOWWCBYMJYQLF-LJQANCHMSA-N 0 3 297.398 3.791 20 10 CHCDHN CCOCc1cc(CNCc2ccc(C)cc2)ccc1OC ZINC001177066008 1121708684 /nfs/dbraw/zinc/70/86/84/1121708684.db2.gz KWABPGDFLBFNLP-UHFFFAOYSA-N 0 3 299.414 3.830 20 10 CHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCCO1)C1CCCC1 ZINC000732204360 1121911933 /nfs/dbraw/zinc/91/19/33/1121911933.db2.gz JONYHHJRJJKHDX-QGZVFWFLSA-N 0 3 289.419 3.706 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCCO1)C1CCCC1 ZINC000732204360 1121911937 /nfs/dbraw/zinc/91/19/37/1121911937.db2.gz JONYHHJRJJKHDX-QGZVFWFLSA-N 0 3 289.419 3.706 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CC1CCCC1)C[C@H]1CCCO1 ZINC000732203447 1121912577 /nfs/dbraw/zinc/91/25/77/1121912577.db2.gz VANJDGUKSZRQQM-QGZVFWFLSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CC1CCCC1)C[C@H]1CCCO1 ZINC000732203447 1121912586 /nfs/dbraw/zinc/91/25/86/1121912586.db2.gz VANJDGUKSZRQQM-QGZVFWFLSA-N 0 3 289.419 3.563 20 10 CHCDHN CCN(C)c1ccc(CNC(C)(C)c2ccc(C)nc2)cc1 ZINC000773846882 1121971403 /nfs/dbraw/zinc/97/14/03/1121971403.db2.gz NOWFKRRPJJEARF-UHFFFAOYSA-N 0 3 297.446 3.871 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001181196047 1122040807 /nfs/dbraw/zinc/04/08/07/1122040807.db2.gz HOLQTONBTLUGAH-OFQRWUPVSA-N 0 3 289.419 3.849 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c([O-])c1 ZINC000779605574 1129032012 /nfs/dbraw/zinc/03/20/12/1129032012.db2.gz UUFJBDBYCLJZAK-AWEZNQCLSA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c([O-])c1 ZINC000779605574 1129032013 /nfs/dbraw/zinc/03/20/13/1129032013.db2.gz UUFJBDBYCLJZAK-AWEZNQCLSA-N 0 3 289.419 3.803 20 10 CHCDHN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000271700422 1122171450 /nfs/dbraw/zinc/17/14/50/1122171450.db2.gz TZFIFKJABZNANC-RYUDHWBXSA-N 0 3 286.331 3.712 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000271700422 1122171452 /nfs/dbraw/zinc/17/14/52/1122171452.db2.gz TZFIFKJABZNANC-RYUDHWBXSA-N 0 3 286.331 3.712 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c1[O-] ZINC000271812884 1122176374 /nfs/dbraw/zinc/17/63/74/1122176374.db2.gz LHXVBRCWJOUQGU-CABCVRRESA-N 0 3 297.826 3.647 20 10 CHCDHN Cc1cccc2oc(CC[NH2+][C@H](C)c3ccccc3[O-])nc21 ZINC000272872611 1122215232 /nfs/dbraw/zinc/21/52/32/1122215232.db2.gz OYBDDUCKMAPUJA-CYBMUJFWSA-N 0 3 296.370 3.735 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cccc3c2OCO3)c(O)c1C ZINC000273302336 1122227604 /nfs/dbraw/zinc/22/76/04/1122227604.db2.gz BRRFMTKDPFBGTO-CYBMUJFWSA-N 0 3 299.370 3.589 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000273503738 1122236841 /nfs/dbraw/zinc/23/68/41/1122236841.db2.gz QOVBBXDKOHDWGR-ZQIUZPCESA-N 0 3 277.408 3.555 20 10 CHCDHN COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000775136589 1122437246 /nfs/dbraw/zinc/43/72/46/1122437246.db2.gz LNCBEMWBSQMLRG-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN Cc1cccc(OC[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183438584 1129055073 /nfs/dbraw/zinc/05/50/73/1129055073.db2.gz MODUMOCBDHBDEB-LSDHHAIUSA-N 0 3 285.387 3.819 20 10 CHCDHN C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1ccccc1[O-] ZINC000183438829 1129055110 /nfs/dbraw/zinc/05/51/10/1129055110.db2.gz QVOGXFMPADHTGH-MRXNPFEDSA-N 0 3 298.430 3.959 20 10 CHCDHN CCc1ncc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775364374 1122527000 /nfs/dbraw/zinc/52/70/00/1122527000.db2.gz POEAMNURUASDND-LBPRGKRZSA-N 0 3 289.448 3.622 20 10 CHCDHN CC[C@H]([NH2+]CCc1cc(C)ccc1OC)c1ccccc1[O-] ZINC000775484708 1122616442 /nfs/dbraw/zinc/61/64/42/1122616442.db2.gz HQXXCLHZMTZMSI-KRWDZBQOSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1ccccc1[O-] ZINC000775487019 1122616851 /nfs/dbraw/zinc/61/68/51/1122616851.db2.gz GAQORXMILILJDU-CRAIPNDOSA-N 0 3 298.430 3.958 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000775488016 1122616867 /nfs/dbraw/zinc/61/68/67/1122616867.db2.gz GAJMGAVRXNMTHJ-VYDXJSESSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1[O-] ZINC000775490960 1122619760 /nfs/dbraw/zinc/61/97/60/1122619760.db2.gz FSBGLEMVLYSGMB-INIZCTEOSA-N 0 3 291.341 3.954 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1ccccc1[O-] ZINC000775508736 1122629602 /nfs/dbraw/zinc/62/96/02/1122629602.db2.gz WSAUITUDUMSDJS-NVXWUHKLSA-N 0 3 297.402 3.609 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775508583 1122629778 /nfs/dbraw/zinc/62/97/78/1122629778.db2.gz CXXAVNUGYSNANV-KYOSRNDESA-N 0 3 296.842 3.569 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccccc1[O-] ZINC000775526628 1122644023 /nfs/dbraw/zinc/64/40/23/1122644023.db2.gz SKBALXZFDJCXLX-SJLPKXTDSA-N 0 3 282.387 3.979 20 10 CHCDHN CC[C@H](N[C@@H](C)c1nc(C)cs1)c1ccccc1O ZINC000080274509 1129079571 /nfs/dbraw/zinc/07/95/71/1129079571.db2.gz KQAWFOGNMUGMMF-AAEUAGOBSA-N 0 3 276.405 3.959 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCC[C@H](SC)C2)c1[O-] ZINC000092064103 1122839858 /nfs/dbraw/zinc/83/98/58/1122839858.db2.gz ABOWQAUTYDVLHX-AWEZNQCLSA-N 0 3 295.448 3.508 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCC[C@H](SC)C2)c1[O-] ZINC000092064103 1122839864 /nfs/dbraw/zinc/83/98/64/1122839864.db2.gz ABOWQAUTYDVLHX-AWEZNQCLSA-N 0 3 295.448 3.508 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000775649393 1122862967 /nfs/dbraw/zinc/86/29/67/1122862967.db2.gz KCYZGWFDSHEGKM-JTQLQIEISA-N 0 3 298.224 3.693 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000775649393 1122862972 /nfs/dbraw/zinc/86/29/72/1122862972.db2.gz KCYZGWFDSHEGKM-JTQLQIEISA-N 0 3 298.224 3.693 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+](C(C)C)C2CC2)c1[O-] ZINC000775653978 1122865044 /nfs/dbraw/zinc/86/50/44/1122865044.db2.gz PWWDXWNXDQMGEB-UHFFFAOYSA-N 0 3 298.224 3.836 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+](C(C)C)C2CC2)c1[O-] ZINC000775653978 1122865047 /nfs/dbraw/zinc/86/50/47/1122865047.db2.gz PWWDXWNXDQMGEB-UHFFFAOYSA-N 0 3 298.224 3.836 20 10 CHCDHN CO[C@H](C)C[N@H+](Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000775715230 1122922353 /nfs/dbraw/zinc/92/23/53/1122922353.db2.gz USTMPIKYXLLAHV-GFCCVEGCSA-N 0 3 285.815 3.599 20 10 CHCDHN CO[C@H](C)C[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000775715230 1122922355 /nfs/dbraw/zinc/92/23/55/1122922355.db2.gz USTMPIKYXLLAHV-GFCCVEGCSA-N 0 3 285.815 3.599 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000775737055 1122929189 /nfs/dbraw/zinc/92/91/89/1122929189.db2.gz NXWGJKWGEHFONA-MWLCHTKSSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]2C(C)C)c1[O-] ZINC000775763096 1122948495 /nfs/dbraw/zinc/94/84/95/1122948495.db2.gz DITVITDCIOMIGG-ZDUSSCGKSA-N 0 3 298.224 3.693 20 10 CHCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]2C(C)C)c1[O-] ZINC000775763096 1122948498 /nfs/dbraw/zinc/94/84/98/1122948498.db2.gz DITVITDCIOMIGG-ZDUSSCGKSA-N 0 3 298.224 3.693 20 10 CHCDHN Oc1ccc(-c2ccccc2)cc1CN1CC(C(F)F)C1 ZINC000839141696 1123000581 /nfs/dbraw/zinc/00/05/81/1123000581.db2.gz WNJJKIZLBUJWGH-UHFFFAOYSA-N 0 3 289.325 3.756 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CC(C(F)F)C1 ZINC000839141696 1123000585 /nfs/dbraw/zinc/00/05/85/1123000585.db2.gz WNJJKIZLBUJWGH-UHFFFAOYSA-N 0 3 289.325 3.756 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+]CCCC2CC2)c1[O-] ZINC000776208981 1123146166 /nfs/dbraw/zinc/14/61/66/1123146166.db2.gz PPXTZVQMBJHJPR-UHFFFAOYSA-N 0 3 298.224 3.743 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)CCC(C)C)c1[O-] ZINC000776209400 1123148259 /nfs/dbraw/zinc/14/82/59/1123148259.db2.gz VGVFJLOQEGOGOG-MRXNPFEDSA-N 0 3 299.842 3.631 20 10 CHCDHN CCC1(O)CCC([NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000776255721 1123187951 /nfs/dbraw/zinc/18/79/51/1123187951.db2.gz HFFJUQCUMLIEBZ-UHFFFAOYSA-N 0 3 297.826 3.527 20 10 CHCDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)C(C)(F)F ZINC000696595992 1123220955 /nfs/dbraw/zinc/22/09/55/1123220955.db2.gz GMDFFSXQPIOXJB-NSHDSACASA-N 0 3 269.335 3.651 20 10 CHCDHN CCOc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)c([O-])c1 ZINC000850366618 1123257421 /nfs/dbraw/zinc/25/74/21/1123257421.db2.gz FRJOOEDXGOYCLQ-UHFFFAOYSA-N 0 3 285.387 3.698 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)C2CCC(F)CC2)c([O-])c1 ZINC000850396158 1123262605 /nfs/dbraw/zinc/26/26/05/1123262605.db2.gz QMMLRDDCCVTIII-OPFPJEHXSA-N 0 3 295.398 3.797 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)COCC1CC1)c1ccccc1[O-] ZINC000850494119 1123275519 /nfs/dbraw/zinc/27/55/19/1123275519.db2.gz MZONSUVYKCQHGF-GOEBONIOSA-N 0 3 277.408 3.638 20 10 CHCDHN CSCC1(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000850507475 1123276767 /nfs/dbraw/zinc/27/67/67/1123276767.db2.gz OKKXWMQNEAEMIC-ZDUSSCGKSA-N 0 3 277.433 3.502 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)c2c1c(F)ccc2[O-] ZINC000850532285 1123285982 /nfs/dbraw/zinc/28/59/82/1123285982.db2.gz SRMHLLXRFWTJMA-KOLCDFICSA-N 0 3 269.335 3.807 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccccc1[O-] ZINC000850543759 1123289090 /nfs/dbraw/zinc/28/90/90/1123289090.db2.gz PNLHBYGTCDTURU-DLBZAZTESA-N 0 3 283.371 3.826 20 10 CHCDHN CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000850555147 1123290852 /nfs/dbraw/zinc/29/08/52/1123290852.db2.gz MIQAYACUKFTLQK-KYNGSXCRSA-N 0 3 299.414 3.801 20 10 CHCDHN C[C@@H](O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000850585146 1123296438 /nfs/dbraw/zinc/29/64/38/1123296438.db2.gz VXACVHRXNBQBFJ-KHYOSLBOSA-N 0 3 298.430 3.525 20 10 CHCDHN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](C)O)c1ccc(C)cc1[O-] ZINC000850583238 1123296566 /nfs/dbraw/zinc/29/65/66/1123296566.db2.gz JYCYHPSEWWHRHB-UCLAIMLFSA-N 0 3 299.414 3.863 20 10 CHCDHN CC(C)=CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841117 1123384256 /nfs/dbraw/zinc/38/42/56/1123384256.db2.gz NFZPNDIZJAWLGB-QGZVFWFLSA-N 0 3 289.419 3.730 20 10 CHCDHN CC(C)=CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000851841117 1123384260 /nfs/dbraw/zinc/38/42/60/1123384260.db2.gz NFZPNDIZJAWLGB-QGZVFWFLSA-N 0 3 289.419 3.730 20 10 CHCDHN CCc1cccc2c(CC[NH2+]Cc3ccccc3[O-])c[nH]c21 ZINC000111397661 1123443229 /nfs/dbraw/zinc/44/32/29/1123443229.db2.gz DPMPBVCWASPWQC-UHFFFAOYSA-N 0 3 294.398 3.768 20 10 CHCDHN Cc1cccc(C)c1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000783517752 1123455208 /nfs/dbraw/zinc/45/52/08/1123455208.db2.gz IFNBUCUBHCBRCO-OAHLLOKOSA-N 0 3 269.388 3.902 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1[O-] ZINC001237687804 1129129528 /nfs/dbraw/zinc/12/95/28/1129129528.db2.gz VHTMLUWJEUIEBP-ZYHUDNBSSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1[O-] ZINC001237687804 1129129532 /nfs/dbraw/zinc/12/95/32/1129129532.db2.gz VHTMLUWJEUIEBP-ZYHUDNBSSA-N 0 3 267.800 3.974 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(C)cc1[O-] ZINC000857080644 1123584801 /nfs/dbraw/zinc/58/48/01/1123584801.db2.gz JZBDXYIHDCYYFO-DGCLKSJQSA-N 0 3 269.335 3.787 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)c([O-])c1 ZINC000857082298 1123585979 /nfs/dbraw/zinc/58/59/79/1123585979.db2.gz MJOBFTXJSWCOIB-MNOVXSKESA-N 0 3 288.218 3.935 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC000228631178 1123634115 /nfs/dbraw/zinc/63/41/15/1123634115.db2.gz SKMCTMWNNIIWDB-BXUZGUMPSA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC000228631178 1123634116 /nfs/dbraw/zinc/63/41/16/1123634116.db2.gz SKMCTMWNNIIWDB-BXUZGUMPSA-N 0 3 295.810 3.819 20 10 CHCDHN CCN(C)c1ccc(CN2CCC(F)(F)C[C@@H]2C)cc1 ZINC000859837236 1123713380 /nfs/dbraw/zinc/71/33/80/1123713380.db2.gz FLZGINIRRXIGKE-ZDUSSCGKSA-N 0 3 282.378 3.762 20 10 CHCDHN CN1CCCc2cc(CN[C@@H]3CCCc4occc43)ccc21 ZINC000195287287 1129143786 /nfs/dbraw/zinc/14/37/86/1129143786.db2.gz MVKHZEJYWLEZRQ-QGZVFWFLSA-N 0 3 296.414 3.829 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccccc1[O-] ZINC000840772483 1123789865 /nfs/dbraw/zinc/78/98/65/1123789865.db2.gz UPZJMJBJUGXCCH-LSDHHAIUSA-N 0 3 284.403 3.849 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1cnc(C)cn1 ZINC000794545975 1123886002 /nfs/dbraw/zinc/88/60/02/1123886002.db2.gz NKHOOELFROSBRU-HNNXBMFYSA-N 0 3 299.418 3.854 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1cnc(C)cn1 ZINC000794545975 1123886011 /nfs/dbraw/zinc/88/60/11/1123886011.db2.gz NKHOOELFROSBRU-HNNXBMFYSA-N 0 3 299.418 3.854 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(C)cc1[O-] ZINC000794800312 1123950304 /nfs/dbraw/zinc/95/03/04/1123950304.db2.gz CHMGFFZXTFUYEX-RHSMWYFYSA-N 0 3 284.403 3.940 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(C)cc1[O-] ZINC000794799143 1123950708 /nfs/dbraw/zinc/95/07/08/1123950708.db2.gz ZAWOPKRJJPIWLC-RDJZCZTQSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1ccc(C)cc1[O-] ZINC000794799983 1123951018 /nfs/dbraw/zinc/95/10/18/1123951018.db2.gz AYIWFJKMWRQMAH-AEFFLSMTSA-N 0 3 293.451 3.929 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794805123 1123952295 /nfs/dbraw/zinc/95/22/95/1123952295.db2.gz FWCJAOCFELCBIU-SJLPKXTDSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccc(C)cc1[O-] ZINC000794803723 1123953008 /nfs/dbraw/zinc/95/30/08/1123953008.db2.gz SMSKBBGIRINUEA-HIFRSBDPSA-N 0 3 279.424 3.945 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000794805609 1123955975 /nfs/dbraw/zinc/95/59/75/1123955975.db2.gz XWHSDGDQYFVWKB-DLBZAZTESA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(C)cc1[O-] ZINC000794815564 1123957368 /nfs/dbraw/zinc/95/73/68/1123957368.db2.gz WJYJNXDGDXEEIL-AAEUAGOBSA-N 0 3 269.335 3.929 20 10 CHCDHN CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794809114 1123957474 /nfs/dbraw/zinc/95/74/74/1123957474.db2.gz QJILAAXDZXXUAD-RDJZCZTQSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1ccc(C)cc1[O-] ZINC000794815175 1123958101 /nfs/dbraw/zinc/95/81/01/1123958101.db2.gz HYFDIRIPYBHGFN-QRTARXTBSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cncc(C)c1)c1ccc(C)cc1[O-] ZINC000794815305 1123958225 /nfs/dbraw/zinc/95/82/25/1123958225.db2.gz JUIVHCWKSQSWII-MRXNPFEDSA-N 0 3 270.376 3.645 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794818366 1123959565 /nfs/dbraw/zinc/95/95/65/1123959565.db2.gz SFUXXTVCLZSCKF-SJORKVTESA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000866404996 1124063747 /nfs/dbraw/zinc/06/37/47/1124063747.db2.gz SJCJUEHJOQADMP-LMMKCTJWSA-N 0 3 297.398 3.963 20 10 CHCDHN CCN(C)c1ccc([C@H](C)NCc2ccnc(F)c2)cc1 ZINC000866472706 1124068826 /nfs/dbraw/zinc/06/88/26/1124068826.db2.gz CXAGTJAYLCGSHL-ZDUSSCGKSA-N 0 3 287.382 3.528 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2c3ccccc3CN2C)c([O-])c1 ZINC000866562138 1124081549 /nfs/dbraw/zinc/08/15/49/1124081549.db2.gz CRGMOEDQSCWWTF-KBXCAEBGSA-N 0 3 296.414 3.538 20 10 CHCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])c1cccc(Cl)c1 ZINC000783611074 1124081686 /nfs/dbraw/zinc/08/16/86/1124081686.db2.gz QIOUYHFROWBODD-GFCCVEGCSA-N 0 3 275.779 3.939 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccccc1[O-] ZINC000866562724 1124082749 /nfs/dbraw/zinc/08/27/49/1124082749.db2.gz GNWZXAPBGPWMEB-QZTJIDSGSA-N 0 3 296.414 3.620 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)CC2 ZINC000866609309 1124087441 /nfs/dbraw/zinc/08/74/41/1124087441.db2.gz LGIKZEXHRVYMMW-UPJWGTAASA-N 0 3 297.320 3.866 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cc2cnccc2o1 ZINC000866618870 1124090550 /nfs/dbraw/zinc/09/05/50/1124090550.db2.gz BKFIQPILHONUHI-SMDDNHRTSA-N 0 3 294.354 3.872 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CCC2)c([O-])c1 ZINC000866622961 1124090959 /nfs/dbraw/zinc/09/09/59/1124090959.db2.gz KTNYAKULLASEAQ-PBHICJAKSA-N 0 3 289.419 3.843 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCn3nccc32)cc1 ZINC000866633493 1124091882 /nfs/dbraw/zinc/09/18/82/1124091882.db2.gz WCIBVSLPOCIBLJ-PBHICJAKSA-N 0 3 298.434 3.525 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C1CC(OC(C)(C)C)C1 ZINC000783650276 1124671814 /nfs/dbraw/zinc/67/18/14/1124671814.db2.gz MSTIQKMONKJILT-UHFFFAOYSA-N 0 3 291.435 3.950 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C1CC(OC(C)(C)C)C1 ZINC000783650276 1124671816 /nfs/dbraw/zinc/67/18/16/1124671816.db2.gz MSTIQKMONKJILT-UHFFFAOYSA-N 0 3 291.435 3.950 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(C)cc1[O-] ZINC000872105729 1124683739 /nfs/dbraw/zinc/68/37/39/1124683739.db2.gz BDIDVTHRKCDQOE-ILXVDBEPSA-N 0 3 289.419 3.699 20 10 CHCDHN CCCOc1ccc(CNCc2ccc(O)cc2)cc1C ZINC000873036180 1124734254 /nfs/dbraw/zinc/73/42/54/1124734254.db2.gz PCDBSLOAQLXBRC-UHFFFAOYSA-N 0 3 285.387 3.779 20 10 CHCDHN C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000783525657 1131285825 /nfs/dbraw/zinc/28/58/25/1131285825.db2.gz MUADWYQBKPCYJV-CYBMUJFWSA-N 0 3 293.407 3.555 20 10 CHCDHN CC(C)(NCc1ccc2c(c1)CCO2)c1cccc(F)c1 ZINC000124660562 1124804074 /nfs/dbraw/zinc/80/40/74/1124804074.db2.gz QBGFVQPRBSWIJB-UHFFFAOYSA-N 0 3 285.362 3.786 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2)c([O-])c1 ZINC000020089850 1124805026 /nfs/dbraw/zinc/80/50/26/1124805026.db2.gz JOPRTGNGIGSEKH-CQSZACIVSA-N 0 3 255.361 3.594 20 10 CHCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2c(C)cccc2[O-])n1 ZINC000876741348 1124974253 /nfs/dbraw/zinc/97/42/53/1124974253.db2.gz SXICKBWIVAUTJJ-QGZVFWFLSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2c(C)cccc2[O-])n1 ZINC000876741348 1124974263 /nfs/dbraw/zinc/97/42/63/1124974263.db2.gz SXICKBWIVAUTJJ-QGZVFWFLSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000876906846 1124989782 /nfs/dbraw/zinc/98/97/82/1124989782.db2.gz JEPNFWSQCNAEAH-SFHVURJKSA-N 0 3 267.372 3.942 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)c([O-])c1 ZINC000876973882 1124993013 /nfs/dbraw/zinc/99/30/13/1124993013.db2.gz RGQFVYQGVZXVOF-INIZCTEOSA-N 0 3 271.335 3.617 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000877087647 1125007815 /nfs/dbraw/zinc/00/78/15/1125007815.db2.gz OIQJQSAEGBHYHD-INIZCTEOSA-N 0 3 289.419 3.672 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c([O-])c1 ZINC000877133654 1125014090 /nfs/dbraw/zinc/01/40/90/1125014090.db2.gz FUJLSVVXKLLCPK-PKOBYXMFSA-N 0 3 297.398 3.568 20 10 CHCDHN CCC[N@H+](CCc1ccccn1)Cc1c(C)cccc1[O-] ZINC000877523113 1125039305 /nfs/dbraw/zinc/03/93/05/1125039305.db2.gz WPVYNHNLOVSDBG-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN CCC[N@@H+](CCc1ccccn1)Cc1c(C)cccc1[O-] ZINC000877523113 1125039314 /nfs/dbraw/zinc/03/93/14/1125039314.db2.gz WPVYNHNLOVSDBG-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN Cc1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000877533993 1125041344 /nfs/dbraw/zinc/04/13/44/1125041344.db2.gz YWHCXTLHWNTMNU-UHFFFAOYSA-N 0 3 269.335 3.710 20 10 CHCDHN Cc1ccc(C[N@H+](C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000877533993 1125041351 /nfs/dbraw/zinc/04/13/51/1125041351.db2.gz YWHCXTLHWNTMNU-UHFFFAOYSA-N 0 3 269.335 3.710 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(c2ccco2)CC1 ZINC000877622723 1125055960 /nfs/dbraw/zinc/05/59/60/1125055960.db2.gz SVMPXCJKEGWUCY-UHFFFAOYSA-N 0 3 271.360 3.673 20 10 CHCDHN CCC(F)(F)C(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877655688 1125059742 /nfs/dbraw/zinc/05/97/42/1125059742.db2.gz HRNQGJPZYCNLEP-UHFFFAOYSA-N 0 3 271.351 3.862 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC2(CCSCC2)CC1 ZINC000877673671 1125062351 /nfs/dbraw/zinc/06/23/51/1125062351.db2.gz GYLSBZQZVAXUGI-UHFFFAOYSA-N 0 3 277.433 3.501 20 10 CHCDHN C[C@@H](C[N@@H+]1Cc2cccc([O-])c2C1)c1ccccc1 ZINC000877702965 1125066491 /nfs/dbraw/zinc/06/64/91/1125066491.db2.gz MLRZJTWCALLCEX-ZDUSSCGKSA-N 0 3 253.345 3.512 20 10 CHCDHN C[C@@H](C[N@H+]1Cc2cccc([O-])c2C1)c1ccccc1 ZINC000877702965 1125066498 /nfs/dbraw/zinc/06/64/98/1125066498.db2.gz MLRZJTWCALLCEX-ZDUSSCGKSA-N 0 3 253.345 3.512 20 10 CHCDHN Cc1ccc(C)c(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000877756488 1125073303 /nfs/dbraw/zinc/07/33/03/1125073303.db2.gz MCBIUMXLCLAUMP-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccccc1[O-] ZINC000877758316 1125074838 /nfs/dbraw/zinc/07/48/38/1125074838.db2.gz SLZJKSNACLCVPF-JTQLQIEISA-N 0 3 278.302 3.576 20 10 CHCDHN C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1[O-] ZINC000877758257 1125075131 /nfs/dbraw/zinc/07/51/31/1125075131.db2.gz PMTJIVYFMIKSRV-QWHCGFSZSA-N 0 3 292.382 3.692 20 10 CHCDHN CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758322 1125075345 /nfs/dbraw/zinc/07/53/45/1125075345.db2.gz SVSVRXSGVQCLMY-MTJIALIYSA-N 0 3 299.351 3.766 20 10 CHCDHN CC[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])CC(F)F ZINC000879650183 1125224227 /nfs/dbraw/zinc/22/42/27/1125224227.db2.gz NJOOWTNSLUIKRK-WDEREUQCSA-N 0 3 257.324 3.724 20 10 CHCDHN CSc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650611 1125224405 /nfs/dbraw/zinc/22/44/05/1125224405.db2.gz JLKKKSQTMCHHOP-LBPRGKRZSA-N 0 3 273.401 3.965 20 10 CHCDHN CC[N@H+](Cc1[nH]nc2c1cccc2C)Cc1ccccc1[O-] ZINC001137149002 1125241959 /nfs/dbraw/zinc/24/19/59/1125241959.db2.gz ABJSGBCBRKRYPN-UHFFFAOYSA-N 0 3 295.386 3.599 20 10 CHCDHN CC[N@@H+](Cc1[nH]nc2c1cccc2C)Cc1ccccc1[O-] ZINC001137149002 1125241962 /nfs/dbraw/zinc/24/19/62/1125241962.db2.gz ABJSGBCBRKRYPN-UHFFFAOYSA-N 0 3 295.386 3.599 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccccc2C)c1[O-] ZINC000228668767 1125250503 /nfs/dbraw/zinc/25/05/03/1125250503.db2.gz XBUQZIDDVBUXLH-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1C ZINC000897417375 1125321083 /nfs/dbraw/zinc/32/10/83/1125321083.db2.gz MLZVARDWQOMYQM-CQSZACIVSA-N 0 3 297.398 3.789 20 10 CHCDHN Oc1ccc(Cl)c(CN[C@H]2CCc3cccc(O)c32)c1 ZINC000883327389 1125396852 /nfs/dbraw/zinc/39/68/52/1125396852.db2.gz XRXZWPUSIQDJEZ-AWEZNQCLSA-N 0 3 289.762 3.528 20 10 CHCDHN CC[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(C)cc1[O-] ZINC000883381119 1125406188 /nfs/dbraw/zinc/40/61/88/1125406188.db2.gz GWYRFCRPWVJANF-MRXNPFEDSA-N 0 3 289.419 3.701 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCC3(COC3)CC2)c([O-])c1 ZINC000883382016 1125407003 /nfs/dbraw/zinc/40/70/03/1125407003.db2.gz YEWHKDJBEOCZSO-CQSZACIVSA-N 0 3 289.419 3.619 20 10 CHCDHN Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037776900 1129268984 /nfs/dbraw/zinc/26/89/84/1129268984.db2.gz SOQUKHBTNJJRKI-LSDHHAIUSA-N 0 3 269.388 3.982 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1[O-] ZINC000282683807 1129276846 /nfs/dbraw/zinc/27/68/46/1129276846.db2.gz JVGGAMMVGBTEAE-NVXWUHKLSA-N 0 3 289.419 3.782 20 10 CHCDHN Cc1ncc([C@H](C)NCc2ccc(N(C)C)cc2C)s1 ZINC000090417266 1129289211 /nfs/dbraw/zinc/28/92/11/1129289211.db2.gz UHZUWFMAPIIURQ-LBPRGKRZSA-N 0 3 289.448 3.677 20 10 CHCDHN Cc1ccc(O)c(CN[C@H]2CSc3ccccc32)c1 ZINC000735508547 1129348757 /nfs/dbraw/zinc/34/87/57/1129348757.db2.gz DMQPZSCVQBHWGF-AWEZNQCLSA-N 0 3 271.385 3.637 20 10 CHCDHN C[C@@H]1SCC[N@H+](Cc2c([O-])ccc3ccccc32)[C@H]1C ZINC000735668131 1129356467 /nfs/dbraw/zinc/35/64/67/1129356467.db2.gz POLZXCWPNSQWGK-STQMWFEESA-N 0 3 287.428 3.871 20 10 CHCDHN C[C@@H]1SCC[N@@H+](Cc2c([O-])ccc3ccccc32)[C@H]1C ZINC000735668131 1129356470 /nfs/dbraw/zinc/35/64/70/1129356470.db2.gz POLZXCWPNSQWGK-STQMWFEESA-N 0 3 287.428 3.871 20 10 CHCDHN CCC[N@H+](Cc1ccc(C)o1)Cc1ccccc1[O-] ZINC000092704973 1129404606 /nfs/dbraw/zinc/40/46/06/1129404606.db2.gz NWTNJBDUAGBBDY-UHFFFAOYSA-N 0 3 259.349 3.706 20 10 CHCDHN CCC[N@@H+](Cc1ccc(C)o1)Cc1ccccc1[O-] ZINC000092704973 1129404608 /nfs/dbraw/zinc/40/46/08/1129404608.db2.gz NWTNJBDUAGBBDY-UHFFFAOYSA-N 0 3 259.349 3.706 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000248555389 1129422060 /nfs/dbraw/zinc/42/20/60/1129422060.db2.gz KKMPOWITWFIEHI-PVUWLOKVSA-N 0 3 295.398 3.776 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c([O-])c1 ZINC000248589884 1129423542 /nfs/dbraw/zinc/42/35/42/1129423542.db2.gz YZMQTROSMSTNHR-LESCRADOSA-N 0 3 291.435 3.945 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2[O-])C12CCC2 ZINC000248894977 1129430937 /nfs/dbraw/zinc/43/09/37/1129430937.db2.gz UPNGIJQUSVSVEX-DJIMGWMZSA-N 0 3 289.419 3.781 20 10 CHCDHN Cc1cccc(OCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617941 1129448287 /nfs/dbraw/zinc/44/82/87/1129448287.db2.gz OZUCFAGGXAWLJI-ZDUSSCGKSA-N 0 3 289.350 3.569 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618496 1129448313 /nfs/dbraw/zinc/44/83/13/1129448313.db2.gz MXLRLZDTOUCPPL-DTWKUNHWSA-N 0 3 278.327 3.548 20 10 CHCDHN CN(C)c1ccc(CNCc2ccc3occc3c2)cc1F ZINC000796282243 1129513437 /nfs/dbraw/zinc/51/34/37/1129513437.db2.gz KKGHLJGJBJTVEU-UHFFFAOYSA-N 0 3 298.361 3.928 20 10 CHCDHN CC(C)C[C@H](Cc1ccccc1)[NH2+]Cc1cccc(O)c1[O-] ZINC001169062021 1129694272 /nfs/dbraw/zinc/69/42/72/1129694272.db2.gz PSKSPDSXPQZTGB-QGZVFWFLSA-N 0 3 299.414 3.845 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2(C)CC(F)(F)C2)c([O-])c1 ZINC000720901833 1129718756 /nfs/dbraw/zinc/71/87/56/1129718756.db2.gz USUYKYFSFCEELI-LLVKDONJSA-N 0 3 269.335 3.787 20 10 CHCDHN CSc1cccc(F)c1CNCc1ccccc1O ZINC000796450597 1129727697 /nfs/dbraw/zinc/72/76/97/1129727697.db2.gz PJHBCDKTOQVAMI-UHFFFAOYSA-N 0 3 277.364 3.543 20 10 CHCDHN CC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000768237972 1129847806 /nfs/dbraw/zinc/84/78/06/1129847806.db2.gz OISLHZZYVJQGPL-GOSISDBHSA-N 0 3 297.398 3.670 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000768359291 1129853576 /nfs/dbraw/zinc/85/35/76/1129853576.db2.gz CCLYRLWIGDLLNG-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000768359291 1129853580 /nfs/dbraw/zinc/85/35/80/1129853580.db2.gz CCLYRLWIGDLLNG-MRXNPFEDSA-N 0 3 297.398 3.780 20 10 CHCDHN CCC1(CC)C[N@H+](Cc2cc(F)ccc2[O-])CCS1 ZINC000768528936 1129860022 /nfs/dbraw/zinc/86/00/22/1129860022.db2.gz MPSJBSBPERPXGH-UHFFFAOYSA-N 0 3 283.412 3.639 20 10 CHCDHN CCC1(CC)C[N@@H+](Cc2cc(F)ccc2[O-])CCS1 ZINC000768528936 1129860026 /nfs/dbraw/zinc/86/00/26/1129860026.db2.gz MPSJBSBPERPXGH-UHFFFAOYSA-N 0 3 283.412 3.639 20 10 CHCDHN C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000768534614 1129861698 /nfs/dbraw/zinc/86/16/98/1129861698.db2.gz GWVMHQPBYSMHBU-IBGZPJMESA-N 0 3 281.399 3.989 20 10 CHCDHN C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1[O-] ZINC000768534614 1129861703 /nfs/dbraw/zinc/86/17/03/1129861703.db2.gz GWVMHQPBYSMHBU-IBGZPJMESA-N 0 3 281.399 3.989 20 10 CHCDHN COc1cccc(C[N@H+](CC2CCCCC2)C2CC2)c1[O-] ZINC000768920329 1129881536 /nfs/dbraw/zinc/88/15/36/1129881536.db2.gz KUMXMFRSGAJIDX-UHFFFAOYSA-N 0 3 289.419 3.946 20 10 CHCDHN COc1cccc(C[N@@H+](CC2CCCCC2)C2CC2)c1[O-] ZINC000768920329 1129881539 /nfs/dbraw/zinc/88/15/39/1129881539.db2.gz KUMXMFRSGAJIDX-UHFFFAOYSA-N 0 3 289.419 3.946 20 10 CHCDHN Cc1ccc(O)c(CN2CCc3cc(F)cc(C)c3C2)c1 ZINC000800535757 1129882049 /nfs/dbraw/zinc/88/20/49/1129882049.db2.gz HDZJOAAXACOXMP-UHFFFAOYSA-N 0 3 285.362 3.706 20 10 CHCDHN COc1cccc(C[N@H+](C)C2CCCCCCC2)c1[O-] ZINC000769222631 1129896139 /nfs/dbraw/zinc/89/61/39/1129896139.db2.gz LBTZNZGYDRIXKA-UHFFFAOYSA-N 0 3 277.408 3.946 20 10 CHCDHN COc1cccc(C[N@@H+](C)C2CCCCCCC2)c1[O-] ZINC000769222631 1129896143 /nfs/dbraw/zinc/89/61/43/1129896143.db2.gz LBTZNZGYDRIXKA-UHFFFAOYSA-N 0 3 277.408 3.946 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CCCO1 ZINC000769319136 1129902420 /nfs/dbraw/zinc/90/24/20/1129902420.db2.gz RIVGGOCCWABTDF-HNNXBMFYSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CCCO1 ZINC000769319136 1129902423 /nfs/dbraw/zinc/90/24/23/1129902423.db2.gz RIVGGOCCWABTDF-HNNXBMFYSA-N 0 3 297.398 3.670 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000769354022 1129904325 /nfs/dbraw/zinc/90/43/25/1129904325.db2.gz ZCVGPVKLNJTDGO-ZDUSSCGKSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000769354022 1129904327 /nfs/dbraw/zinc/90/43/27/1129904327.db2.gz ZCVGPVKLNJTDGO-ZDUSSCGKSA-N 0 3 283.371 3.520 20 10 CHCDHN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000384283160 1129905801 /nfs/dbraw/zinc/90/58/01/1129905801.db2.gz OTRASADWMMJYME-GXFFZTMASA-N 0 3 283.799 3.675 20 10 CHCDHN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000384283160 1129905802 /nfs/dbraw/zinc/90/58/02/1129905802.db2.gz OTRASADWMMJYME-GXFFZTMASA-N 0 3 283.799 3.675 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c([O-])c1 ZINC000769402130 1129906336 /nfs/dbraw/zinc/90/63/36/1129906336.db2.gz BHRSSOIYAUJRCZ-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC3(CCCC3)C2)c([O-])c1 ZINC000769402130 1129906338 /nfs/dbraw/zinc/90/63/38/1129906338.db2.gz BHRSSOIYAUJRCZ-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000769452315 1129911232 /nfs/dbraw/zinc/91/12/32/1129911232.db2.gz WFTWRKAGZIDEEO-KGLIPLIRSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000769452315 1129911234 /nfs/dbraw/zinc/91/12/34/1129911234.db2.gz WFTWRKAGZIDEEO-KGLIPLIRSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c1[O-] ZINC000769506610 1129914826 /nfs/dbraw/zinc/91/48/26/1129914826.db2.gz ZNAWRKBQXFNMII-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H](CC(C)C)C2)c1[O-] ZINC000769506610 1129914830 /nfs/dbraw/zinc/91/48/30/1129914830.db2.gz ZNAWRKBQXFNMII-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC[C@H](C)O1 ZINC000801594584 1129930919 /nfs/dbraw/zinc/93/09/19/1129930919.db2.gz GUKJFJLTGAGNIT-GOEBONIOSA-N 0 3 277.408 3.562 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC[C@H](C)O1 ZINC000801594584 1129930923 /nfs/dbraw/zinc/93/09/23/1129930923.db2.gz GUKJFJLTGAGNIT-GOEBONIOSA-N 0 3 277.408 3.562 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCCO1 ZINC000801596013 1129931652 /nfs/dbraw/zinc/93/16/52/1129931652.db2.gz ZBGKZNVZIHMPDF-INIZCTEOSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCCO1 ZINC000801596013 1129931653 /nfs/dbraw/zinc/93/16/53/1129931653.db2.gz ZBGKZNVZIHMPDF-INIZCTEOSA-N 0 3 277.408 3.563 20 10 CHCDHN CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccccc1[O-])C2 ZINC000770505270 1129947799 /nfs/dbraw/zinc/94/77/99/1129947799.db2.gz MODFZCCNBRBWSX-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CCCOc1ccc2c(c1)CC[N@H+](Cc1ccccc1[O-])C2 ZINC000770505270 1129947800 /nfs/dbraw/zinc/94/78/00/1129947800.db2.gz MODFZCCNBRBWSX-UHFFFAOYSA-N 0 3 297.398 3.739 20 10 CHCDHN CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1[O-] ZINC000770509105 1129948359 /nfs/dbraw/zinc/94/83/59/1129948359.db2.gz IENDUOAUELPSNS-UHFFFAOYSA-N 0 3 298.430 3.869 20 10 CHCDHN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1[O-] ZINC000770509105 1129948360 /nfs/dbraw/zinc/94/83/60/1129948360.db2.gz IENDUOAUELPSNS-UHFFFAOYSA-N 0 3 298.430 3.869 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000770510625 1129949042 /nfs/dbraw/zinc/94/90/42/1129949042.db2.gz OQGUVCSIGIRNOI-AWEZNQCLSA-N 0 3 271.335 3.521 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000770510625 1129949045 /nfs/dbraw/zinc/94/90/45/1129949045.db2.gz OQGUVCSIGIRNOI-AWEZNQCLSA-N 0 3 271.335 3.521 20 10 CHCDHN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccccc1[O-] ZINC000770509833 1129949365 /nfs/dbraw/zinc/94/93/65/1129949365.db2.gz UNJCLUYGYFCXMP-CQSZACIVSA-N 0 3 273.401 3.963 20 10 CHCDHN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1[O-] ZINC000770509833 1129949369 /nfs/dbraw/zinc/94/93/69/1129949369.db2.gz UNJCLUYGYFCXMP-CQSZACIVSA-N 0 3 273.401 3.963 20 10 CHCDHN C[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1[O-] ZINC000903185514 1130126083 /nfs/dbraw/zinc/12/60/83/1130126083.db2.gz UOGMVEVRDBPJSK-CYBMUJFWSA-N 0 3 282.387 3.517 20 10 CHCDHN C[C@@H](NCc1nccc2c1CCCC2)c1ccccc1O ZINC000903185514 1130126086 /nfs/dbraw/zinc/12/60/86/1130126086.db2.gz UOGMVEVRDBPJSK-CYBMUJFWSA-N 0 3 282.387 3.517 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2nccc3c2CCCC3)c(O)c1 ZINC000903182602 1130126189 /nfs/dbraw/zinc/12/61/89/1130126189.db2.gz SLBHYKJDNSWGBU-CQSZACIVSA-N 0 3 296.414 3.825 20 10 CHCDHN CCc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000787280273 1130142519 /nfs/dbraw/zinc/14/25/19/1130142519.db2.gz VTQAQTKUEIIZQB-CYBMUJFWSA-N 0 3 255.361 3.805 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)c1cncs1 ZINC000903310522 1130151094 /nfs/dbraw/zinc/15/10/94/1130151094.db2.gz KKQCHXIUBLRRBS-FXPVBKGRSA-N 0 3 292.379 3.887 20 10 CHCDHN CCOC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(C)C ZINC000788985785 1130222000 /nfs/dbraw/zinc/22/20/00/1130222000.db2.gz RXMTXMLFOVTWCR-YUTCNCBUSA-N 0 3 295.398 3.730 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1CCCCC1 ZINC000789325601 1130244052 /nfs/dbraw/zinc/24/40/52/1130244052.db2.gz BOYFCKKBIPDCCB-GOSISDBHSA-N 0 3 291.435 3.545 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1CCCCC1 ZINC000789325601 1130244056 /nfs/dbraw/zinc/24/40/56/1130244056.db2.gz BOYFCKKBIPDCCB-GOSISDBHSA-N 0 3 291.435 3.545 20 10 CHCDHN CCc1ccc([C@H](O)C[NH2+][C@H](CC)c2ccccc2[O-])cc1 ZINC000789363044 1130247521 /nfs/dbraw/zinc/24/75/21/1130247521.db2.gz RJXLQQOVVBVARS-IEBWSBKVSA-N 0 3 299.414 3.729 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCSC1 ZINC000790484562 1130315737 /nfs/dbraw/zinc/31/57/37/1130315737.db2.gz FONLXTUDXMOHPH-CQSZACIVSA-N 0 3 299.439 3.902 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccccc1[O-] ZINC000790499430 1130315851 /nfs/dbraw/zinc/31/58/51/1130315851.db2.gz WVOWPGKHRUNDJJ-WBVHZDCISA-N 0 3 290.451 3.553 20 10 CHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C=CCC1 ZINC000826941143 1130316902 /nfs/dbraw/zinc/31/69/02/1130316902.db2.gz HDFZITRSGIJNFW-QGZVFWFLSA-N 0 3 295.382 3.779 20 10 CHCDHN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2CC[C@H](C)C2)C1 ZINC001170152354 1130362062 /nfs/dbraw/zinc/36/20/62/1130362062.db2.gz KQJOUJKBZSGXHW-UONOGXRCSA-N 0 3 298.430 3.734 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCSCC[C@@H]2C)c1[O-] ZINC000792197253 1130437510 /nfs/dbraw/zinc/43/75/10/1130437510.db2.gz SETXAOIORXIOSA-NSHDSACASA-N 0 3 285.840 3.681 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCSCC[C@@H]2C)c1[O-] ZINC000792197253 1130437512 /nfs/dbraw/zinc/43/75/12/1130437512.db2.gz SETXAOIORXIOSA-NSHDSACASA-N 0 3 285.840 3.681 20 10 CHCDHN Cc1cc(Br)cc(C[NH2+]CCC2(C)CC2)c1[O-] ZINC000793199078 1130526411 /nfs/dbraw/zinc/52/64/11/1130526411.db2.gz PCKVOJUZJUEFHT-UHFFFAOYSA-N 0 3 298.224 3.743 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793309175 1130539651 /nfs/dbraw/zinc/53/96/51/1130539651.db2.gz LUIRFOJBFVJROD-INIZCTEOSA-N 0 3 289.325 3.838 20 10 CHCDHN COc1ccc(C[NH2+]C2CC(c3ccc(C)cc3)C2)c([O-])c1 ZINC000793387259 1130551597 /nfs/dbraw/zinc/55/15/97/1130551597.db2.gz BKBPSMALCZVFHY-UHFFFAOYSA-N 0 3 297.398 3.745 20 10 CHCDHN Cc1cc(Cl)cc(CN2CCC(F)(F)[C@@H](C)C2)c1O ZINC000811512030 1130618314 /nfs/dbraw/zinc/61/83/14/1130618314.db2.gz BVWYPCSBCUMTGP-JTQLQIEISA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1[O-] ZINC000811512030 1130618317 /nfs/dbraw/zinc/61/83/17/1130618317.db2.gz BVWYPCSBCUMTGP-JTQLQIEISA-N 0 3 289.753 3.831 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1[O-] ZINC000811512030 1130618320 /nfs/dbraw/zinc/61/83/20/1130618320.db2.gz BVWYPCSBCUMTGP-JTQLQIEISA-N 0 3 289.753 3.831 20 10 CHCDHN COc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1C ZINC000758624098 1130619427 /nfs/dbraw/zinc/61/94/27/1130619427.db2.gz NEYKGBWRLFKUGL-SFHVURJKSA-N 0 3 282.387 3.640 20 10 CHCDHN CN(C)c1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1F ZINC000811513749 1130619574 /nfs/dbraw/zinc/61/95/74/1130619574.db2.gz OMEVMJCDGDRZBF-INIZCTEOSA-N 0 3 276.399 3.512 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000780520415 1130682834 /nfs/dbraw/zinc/68/28/34/1130682834.db2.gz PEPGULUMPWCKII-PBHICJAKSA-N 0 3 285.362 3.957 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])[C@@H](C)CO1 ZINC001234999509 1130700570 /nfs/dbraw/zinc/70/05/70/1130700570.db2.gz WEMQCZQAVLEXNS-LSDHHAIUSA-N 0 3 297.398 3.668 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])[C@@H](C)CO1 ZINC001234999509 1130700575 /nfs/dbraw/zinc/70/05/75/1130700575.db2.gz WEMQCZQAVLEXNS-LSDHHAIUSA-N 0 3 297.398 3.668 20 10 CHCDHN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cccc1-c1ccccc1 ZINC001234995880 1130700624 /nfs/dbraw/zinc/70/06/24/1130700624.db2.gz QHIRNIACFODUBL-XYJFISCASA-N 0 3 297.373 3.992 20 10 CHCDHN [O-]c1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cccc1-c1ccccc1 ZINC001234995880 1130700627 /nfs/dbraw/zinc/70/06/27/1130700627.db2.gz QHIRNIACFODUBL-XYJFISCASA-N 0 3 297.373 3.992 20 10 CHCDHN CCC[N@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234990683 1130701281 /nfs/dbraw/zinc/70/12/81/1130701281.db2.gz JPHCPUPQHIBTAL-UHFFFAOYSA-N 0 3 255.361 3.901 20 10 CHCDHN CCC[N@@H+](C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234990683 1130701286 /nfs/dbraw/zinc/70/12/86/1130701286.db2.gz JPHCPUPQHIBTAL-UHFFFAOYSA-N 0 3 255.361 3.901 20 10 CHCDHN CCN(CC)c1ccc(CN2CC(C3CC3)C2)cc1F ZINC000812776822 1130713040 /nfs/dbraw/zinc/71/30/40/1130713040.db2.gz ZVOKSHANBSVATI-UHFFFAOYSA-N 0 3 276.399 3.514 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CC(Cc2ccccc2Cl)C1 ZINC000813332235 1130761215 /nfs/dbraw/zinc/76/12/15/1130761215.db2.gz RQBHHFZVCDMPQF-UHFFFAOYSA-N 0 3 287.790 3.720 20 10 CHCDHN C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676810 1130765277 /nfs/dbraw/zinc/76/52/77/1130765277.db2.gz VQXSIKOMANUQTM-CYBMUJFWSA-N 0 3 261.409 3.922 20 10 CHCDHN C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235676810 1130765272 /nfs/dbraw/zinc/76/52/72/1130765272.db2.gz VQXSIKOMANUQTM-CYBMUJFWSA-N 0 3 261.409 3.922 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CF)C2)c([O-])c1 ZINC001235684734 1130768362 /nfs/dbraw/zinc/76/83/62/1130768362.db2.gz IYQNOCCZFUYFRQ-CYBMUJFWSA-N 0 3 279.399 3.871 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CF)C2)c([O-])c1 ZINC001235684734 1130768365 /nfs/dbraw/zinc/76/83/65/1130768365.db2.gz IYQNOCCZFUYFRQ-CYBMUJFWSA-N 0 3 279.399 3.871 20 10 CHCDHN COc1ccc(C[NH2+]Cc2ccccc2C(C)C)c([O-])c1 ZINC000782539242 1130782671 /nfs/dbraw/zinc/78/26/71/1130782671.db2.gz ISOWNAKWGSJWOS-UHFFFAOYSA-N 0 3 285.387 3.814 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000813771977 1130783977 /nfs/dbraw/zinc/78/39/77/1130783977.db2.gz ODINIORCMSRBBY-UHFFFAOYSA-N 0 3 267.372 3.561 20 10 CHCDHN CCN(CC[NH2+][C@@H](C)c1ccccc1[O-])c1cccc(C)c1 ZINC000783491227 1130829436 /nfs/dbraw/zinc/82/94/36/1130829436.db2.gz RBZQNMBFJVLRGN-INIZCTEOSA-N 0 3 298.430 3.878 20 10 CHCDHN C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccccc1[O-] ZINC000783524184 1130834485 /nfs/dbraw/zinc/83/44/85/1130834485.db2.gz YEFQBHGKMNKXBI-GFCCVEGCSA-N 0 3 267.328 3.989 20 10 CHCDHN C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccccc1[O-] ZINC000783526056 1130835437 /nfs/dbraw/zinc/83/54/37/1130835437.db2.gz RGAXDWVQTXPHPC-SJKOYZFVSA-N 0 3 268.360 3.589 20 10 CHCDHN C[C@@H]([NH2+]CCCc1cccs1)c1ccccc1[O-] ZINC000783526647 1130835561 /nfs/dbraw/zinc/83/55/61/1130835561.db2.gz XRUMWNVNDHPKDL-GFCCVEGCSA-N 0 3 261.390 3.737 20 10 CHCDHN C[C@@H]1COc2ccccc2CN1Cc1ccc(N(C)C)cc1 ZINC000783598518 1130841428 /nfs/dbraw/zinc/84/14/28/1130841428.db2.gz VJFDPIINCGYLKE-OAHLLOKOSA-N 0 3 296.414 3.536 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCc3ccc(N)cc3C2)c([O-])c1 ZINC001236234321 1130900580 /nfs/dbraw/zinc/90/05/80/1130900580.db2.gz OAPORWGVHRLTJN-UHFFFAOYSA-N 0 3 296.414 3.656 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCc3ccc(N)cc3C2)c([O-])c1 ZINC001236234321 1130900585 /nfs/dbraw/zinc/90/05/85/1130900585.db2.gz OAPORWGVHRLTJN-UHFFFAOYSA-N 0 3 296.414 3.656 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000784662309 1130915672 /nfs/dbraw/zinc/91/56/72/1130915672.db2.gz JBVARIKDYOYDBG-OAHLLOKOSA-N 0 3 297.398 3.575 20 10 CHCDHN C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccccc1[O-] ZINC000796745662 1130927876 /nfs/dbraw/zinc/92/78/76/1130927876.db2.gz RNJBWINFEHTANE-LBPRGKRZSA-N 0 3 291.341 3.781 20 10 CHCDHN CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000797027765 1130954203 /nfs/dbraw/zinc/95/42/03/1130954203.db2.gz VHCLCYLZTCMZDE-KUHUBIRLSA-N 0 3 299.414 3.647 20 10 CHCDHN CCc1cnccc1[C@H](C)NCc1ccc(N(C)C)c(C)c1 ZINC000815091207 1130954623 /nfs/dbraw/zinc/95/46/23/1130954623.db2.gz OBJKDSJDDCDNRS-HNNXBMFYSA-N 0 3 297.446 3.869 20 10 CHCDHN Cc1cc(CN2CCCc3occc3C2)ccc1N(C)C ZINC000815120818 1130958265 /nfs/dbraw/zinc/95/82/65/1130958265.db2.gz VOPLOWWNPJVSIG-UHFFFAOYSA-N 0 3 284.403 3.602 20 10 CHCDHN C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000797071506 1130958819 /nfs/dbraw/zinc/95/88/19/1130958819.db2.gz RZUKUASOGRGGHP-QMMMGPOBSA-N 0 3 277.261 3.524 20 10 CHCDHN C[N@H+](Cc1cccc2ccoc21)Cc1ccccc1[O-] ZINC001236734348 1131001863 /nfs/dbraw/zinc/00/18/63/1131001863.db2.gz CGDCUBNTSXSFBS-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN C[N@@H+](Cc1cccc2ccoc21)Cc1ccccc1[O-] ZINC001236734348 1131001869 /nfs/dbraw/zinc/00/18/69/1131001869.db2.gz CGDCUBNTSXSFBS-UHFFFAOYSA-N 0 3 267.328 3.770 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC001236787252 1131007546 /nfs/dbraw/zinc/00/75/46/1131007546.db2.gz APSULZJHMJSYTI-ZBFHGGJFSA-N 0 3 259.393 3.719 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC001236787252 1131007548 /nfs/dbraw/zinc/00/75/48/1131007548.db2.gz APSULZJHMJSYTI-ZBFHGGJFSA-N 0 3 259.393 3.719 20 10 CHCDHN CC1(C)CN(Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001236791612 1131009380 /nfs/dbraw/zinc/00/93/80/1131009380.db2.gz HVXWXZOGYXVWMP-UHFFFAOYSA-N 0 3 297.398 3.813 20 10 CHCDHN CCCC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236813707 1131012665 /nfs/dbraw/zinc/01/26/65/1131012665.db2.gz MMCGEQPXVDELRP-UHFFFAOYSA-N 0 3 277.408 3.721 20 10 CHCDHN COC1(CC[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000815642156 1131015310 /nfs/dbraw/zinc/01/53/10/1131015310.db2.gz UBIDJBWPIZTOGE-YPMHNXCESA-N 0 3 293.382 3.628 20 10 CHCDHN C[C@H]1C[C@H]2C[N@H+](Cc3cc4ccccc4cc3[O-])CC[C@H]2O1 ZINC001236830195 1131015912 /nfs/dbraw/zinc/01/59/12/1131015912.db2.gz NBTONNMEEQKRQT-SOVGHPHASA-N 0 3 297.398 3.545 20 10 CHCDHN C[C@H]1C[C@H]2C[N@@H+](Cc3cc4ccccc4cc3[O-])CC[C@H]2O1 ZINC001236830195 1131015918 /nfs/dbraw/zinc/01/59/18/1131015918.db2.gz NBTONNMEEQKRQT-SOVGHPHASA-N 0 3 297.398 3.545 20 10 CHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])C1CC(F)(F)C1 ZINC001236826810 1131016356 /nfs/dbraw/zinc/01/63/56/1131016356.db2.gz NCGNSZHJUPHOFR-UHFFFAOYSA-N 0 3 277.314 3.775 20 10 CHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])C1CC(F)(F)C1 ZINC001236826810 1131016362 /nfs/dbraw/zinc/01/63/62/1131016362.db2.gz NCGNSZHJUPHOFR-UHFFFAOYSA-N 0 3 277.314 3.775 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001236826491 1131017542 /nfs/dbraw/zinc/01/75/42/1131017542.db2.gz LGWMCSWKWOBZQF-UHFFFAOYSA-N 0 3 289.325 3.777 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1C2CCC1CC2 ZINC001236834675 1131019271 /nfs/dbraw/zinc/01/92/71/1131019271.db2.gz DQJFZNGCUNOUNK-UHFFFAOYSA-N 0 3 253.345 3.672 20 10 CHCDHN CO[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])[C@@H](C)C1 ZINC001236834597 1131019613 /nfs/dbraw/zinc/01/96/13/1131019613.db2.gz BWPNZEOVYJUOCV-SUMWQHHRSA-N 0 3 285.387 3.545 20 10 CHCDHN CO[C@@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])[C@@H](C)C1 ZINC001236834597 1131019618 /nfs/dbraw/zinc/01/96/18/1131019618.db2.gz BWPNZEOVYJUOCV-SUMWQHHRSA-N 0 3 285.387 3.545 20 10 CHCDHN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236837114 1131019855 /nfs/dbraw/zinc/01/98/55/1131019855.db2.gz OEZCGBJWBVCLDD-JWTNVVGKSA-N 0 3 297.398 3.687 20 10 CHCDHN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236837114 1131019857 /nfs/dbraw/zinc/01/98/57/1131019857.db2.gz OEZCGBJWBVCLDD-JWTNVVGKSA-N 0 3 297.398 3.687 20 10 CHCDHN CCCOC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236840121 1131022194 /nfs/dbraw/zinc/02/21/94/1131022194.db2.gz HRSUGLPPFGPMJO-UHFFFAOYSA-N 0 3 299.414 3.936 20 10 CHCDHN CC(C)c1ccc(CN(C)Cc2ccccn2)c(O)c1 ZINC001237045831 1131039699 /nfs/dbraw/zinc/03/96/99/1131039699.db2.gz LJMUURHUNZZBOG-UHFFFAOYSA-N 0 3 270.376 3.543 20 10 CHCDHN CCOc1ccc(C[N@H+](C)CCc2cccc(C)c2)c([O-])c1 ZINC001237045194 1131039774 /nfs/dbraw/zinc/03/97/74/1131039774.db2.gz XXAPYOKPOHQGJD-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)CCc2cccc(C)c2)c([O-])c1 ZINC001237045194 1131039779 /nfs/dbraw/zinc/03/97/79/1131039779.db2.gz XXAPYOKPOHQGJD-UHFFFAOYSA-N 0 3 299.414 3.774 20 10 CHCDHN CCN(Cc1ccccn1)Cc1ccc(C(C)C)cc1O ZINC001237048453 1131039840 /nfs/dbraw/zinc/03/98/40/1131039840.db2.gz GJWLMTIDUNVVAH-UHFFFAOYSA-N 0 3 284.403 3.933 20 10 CHCDHN COC[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237046698 1131039868 /nfs/dbraw/zinc/03/98/68/1131039868.db2.gz VQHKCCCKJWNRGR-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN COC[C@H]1CCCC[N@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237046698 1131039874 /nfs/dbraw/zinc/03/98/74/1131039874.db2.gz VQHKCCCKJWNRGR-MRXNPFEDSA-N 0 3 277.408 3.517 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@@](C)(F)CC2)c([O-])c1 ZINC001237049432 1131040883 /nfs/dbraw/zinc/04/08/83/1131040883.db2.gz FIWIDYSRDAICPE-MRXNPFEDSA-N 0 3 281.371 3.505 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)c([O-])c1 ZINC001237049432 1131040890 /nfs/dbraw/zinc/04/08/90/1131040890.db2.gz FIWIDYSRDAICPE-MRXNPFEDSA-N 0 3 281.371 3.505 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c([O-])c1 ZINC001237051948 1131043926 /nfs/dbraw/zinc/04/39/26/1131043926.db2.gz PNSBNGDZCXIBFF-KBXCAEBGSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c([O-])c1 ZINC001237051948 1131043931 /nfs/dbraw/zinc/04/39/31/1131043931.db2.gz PNSBNGDZCXIBFF-KBXCAEBGSA-N 0 3 289.419 3.517 20 10 CHCDHN CC1(C)CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110306 1131052072 /nfs/dbraw/zinc/05/20/72/1131052072.db2.gz DTIQPDUHRCPMQS-UHFFFAOYSA-N 0 3 289.297 3.523 20 10 CHCDHN CC1(C)CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237110306 1131052077 /nfs/dbraw/zinc/05/20/77/1131052077.db2.gz DTIQPDUHRCPMQS-UHFFFAOYSA-N 0 3 289.297 3.523 20 10 CHCDHN CC1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237119531 1131053800 /nfs/dbraw/zinc/05/38/00/1131053800.db2.gz IRTDPFCYNUJCPY-UHFFFAOYSA-N 0 3 289.297 3.523 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c([O-])c1 ZINC000798938539 1131063036 /nfs/dbraw/zinc/06/30/36/1131063036.db2.gz YQEKCCGPTWOUDK-GOEBONIOSA-N 0 3 291.435 3.540 20 10 CHCDHN Cc1cccc(O)c1CN1CCc2c(Cl)cccc2C1 ZINC001237486685 1131103586 /nfs/dbraw/zinc/10/35/86/1131103586.db2.gz BMADIUUFPWDPGD-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC001237482149 1131103608 /nfs/dbraw/zinc/10/36/08/1131103608.db2.gz JTULMJZLGCOKGX-CQSZACIVSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001237482149 1131103613 /nfs/dbraw/zinc/10/36/13/1131103613.db2.gz JTULMJZLGCOKGX-CQSZACIVSA-N 0 3 267.372 3.820 20 10 CHCDHN COc1c(C)cccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001237502992 1131106208 /nfs/dbraw/zinc/10/62/08/1131106208.db2.gz CICVGVYSLLCNBW-UHFFFAOYSA-N 0 3 298.430 3.702 20 10 CHCDHN CCc1nc(C)c(C[NH2+]Cc2ccc3ccccc3c2[O-])o1 ZINC000816618040 1131115658 /nfs/dbraw/zinc/11/56/58/1131115658.db2.gz NYWDBQANHMJVAA-UHFFFAOYSA-N 0 3 296.370 3.694 20 10 CHCDHN CCCC[N@H+](CC)Cc1cc(Cl)cc(C)c1[O-] ZINC001237681756 1131127526 /nfs/dbraw/zinc/12/75/26/1131127526.db2.gz QIGUWBHXILXRMQ-UHFFFAOYSA-N 0 3 255.789 3.976 20 10 CHCDHN CCCC[N@@H+](CC)Cc1cc(Cl)cc(C)c1[O-] ZINC001237681756 1131127529 /nfs/dbraw/zinc/12/75/29/1131127529.db2.gz QIGUWBHXILXRMQ-UHFFFAOYSA-N 0 3 255.789 3.976 20 10 CHCDHN Oc1c(F)cc(Cl)cc1CNc1cc2c(cn1)CCC2 ZINC000816660442 1131122025 /nfs/dbraw/zinc/12/20/25/1131122025.db2.gz DYEOLIACTLPDGD-UHFFFAOYSA-N 0 3 292.741 3.681 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CC2(C)C)c1[O-] ZINC001237685073 1131126493 /nfs/dbraw/zinc/12/64/93/1131126493.db2.gz DRQWNMKBUXOSHR-LBPRGKRZSA-N 0 3 267.800 3.832 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1[O-] ZINC001237685073 1131126497 /nfs/dbraw/zinc/12/64/97/1131126497.db2.gz DRQWNMKBUXOSHR-LBPRGKRZSA-N 0 3 267.800 3.832 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1[O-] ZINC001237679727 1131126534 /nfs/dbraw/zinc/12/65/34/1131126534.db2.gz LGHYBRSJIKRUTR-OLZOCXBDSA-N 0 3 279.811 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1[O-] ZINC001237679727 1131126536 /nfs/dbraw/zinc/12/65/36/1131126536.db2.gz LGHYBRSJIKRUTR-OLZOCXBDSA-N 0 3 279.811 3.976 20 10 CHCDHN CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687183 1131126657 /nfs/dbraw/zinc/12/66/57/1131126657.db2.gz UHNNHTUDCGJVSP-GFCCVEGCSA-N 0 3 267.800 3.976 20 10 CHCDHN CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC001237687183 1131126661 /nfs/dbraw/zinc/12/66/61/1131126661.db2.gz UHNNHTUDCGJVSP-GFCCVEGCSA-N 0 3 267.800 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001237679728 1131127427 /nfs/dbraw/zinc/12/74/27/1131127427.db2.gz LGHYBRSJIKRUTR-QWHCGFSZSA-N 0 3 279.811 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC001237679728 1131127431 /nfs/dbraw/zinc/12/74/31/1131127431.db2.gz LGHYBRSJIKRUTR-QWHCGFSZSA-N 0 3 279.811 3.976 20 10 CHCDHN COCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC001237687913 1131128303 /nfs/dbraw/zinc/12/83/03/1131128303.db2.gz YGFBMKPHAVFYLV-HNNXBMFYSA-N 0 3 297.826 3.745 20 10 CHCDHN COCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC001237687913 1131128307 /nfs/dbraw/zinc/12/83/07/1131128307.db2.gz YGFBMKPHAVFYLV-HNNXBMFYSA-N 0 3 297.826 3.745 20 10 CHCDHN Oc1cc(Cl)c(F)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001237937751 1131154069 /nfs/dbraw/zinc/15/40/69/1131154069.db2.gz UPTPEMIFCDXMNP-MRVPVSSYSA-N 0 3 297.679 3.569 20 10 CHCDHN COc1ccc(C[NH2+]C2CC3(C2)CCCCC3)c([O-])c1 ZINC000817410036 1131160408 /nfs/dbraw/zinc/16/04/08/1131160408.db2.gz UNHOOGJSAOYUHN-UHFFFAOYSA-N 0 3 275.392 3.603 20 10 CHCDHN CC[N@H+](Cc1cc(F)cc(C)c1[O-])C1CCCCC1 ZINC001238056149 1131165457 /nfs/dbraw/zinc/16/54/57/1131165457.db2.gz DYBKOZMHLLQSEQ-UHFFFAOYSA-N 0 3 265.372 3.994 20 10 CHCDHN CC[N@@H+](Cc1cc(F)cc(C)c1[O-])C1CCCCC1 ZINC001238056149 1131165460 /nfs/dbraw/zinc/16/54/60/1131165460.db2.gz DYBKOZMHLLQSEQ-UHFFFAOYSA-N 0 3 265.372 3.994 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c1[O-] ZINC001238058760 1131165482 /nfs/dbraw/zinc/16/54/82/1131165482.db2.gz VKNHJNAQXLEKER-AAEUAGOBSA-N 0 3 265.372 3.708 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC001238061877 1131166105 /nfs/dbraw/zinc/16/61/05/1131166105.db2.gz KSDAKFHEIALTAQ-INIZCTEOSA-N 0 3 299.389 3.904 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC001238061877 1131166109 /nfs/dbraw/zinc/16/61/09/1131166109.db2.gz KSDAKFHEIALTAQ-INIZCTEOSA-N 0 3 299.389 3.904 20 10 CHCDHN Cc1cc(F)cc(CN2CCCC[C@@](C)(F)C2)c1O ZINC001238065646 1131166952 /nfs/dbraw/zinc/16/69/52/1131166952.db2.gz WYCNPFFMCNQXPM-OAHLLOKOSA-N 0 3 269.335 3.554 20 10 CHCDHN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCO1 ZINC000817586057 1131173630 /nfs/dbraw/zinc/17/36/30/1131173630.db2.gz LGSXHHNQROTILH-MRVWCRGKSA-N 0 3 297.826 3.962 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccccc1[O-] ZINC000817967012 1131193926 /nfs/dbraw/zinc/19/39/26/1131193926.db2.gz CGMFKKMTGLBWLD-SJCJKPOMSA-N 0 3 282.387 3.703 20 10 CHCDHN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)c1ccccc1O ZINC000818357242 1131211132 /nfs/dbraw/zinc/21/11/32/1131211132.db2.gz XEBLUOHDLWSGJN-VUCTXSBTSA-N 0 3 271.335 3.680 20 10 CHCDHN Oc1cccc2c1[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)CC2 ZINC000818356845 1131211592 /nfs/dbraw/zinc/21/15/92/1131211592.db2.gz RMNOQENYWYGTRX-KYJSFNMBSA-N 0 3 283.346 3.606 20 10 CHCDHN Oc1cccc2c1CN(Cc1ccc(F)c(C3CC3)c1)CC2 ZINC001238517262 1131212743 /nfs/dbraw/zinc/21/27/43/1131212743.db2.gz SDTMXQABEUGIQF-UHFFFAOYSA-N 0 3 297.373 3.967 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171012192 1131419456 /nfs/dbraw/zinc/41/94/56/1131419456.db2.gz GSTHNDDZCTZGJW-AWEZNQCLSA-N 0 3 287.790 3.693 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000823753595 1131441061 /nfs/dbraw/zinc/44/10/61/1131441061.db2.gz XEYZVYYMDATPEJ-UHFFFAOYSA-N 0 3 289.419 3.752 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCO[C@H](C(C)C)C1)c1ccccc1[O-] ZINC000824798828 1131484967 /nfs/dbraw/zinc/48/49/67/1131484967.db2.gz GRYVLRAUADSDTG-ZVZYQTTQSA-N 0 3 291.435 3.884 20 10 CHCDHN Oc1ccccc1CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000825104292 1131496166 /nfs/dbraw/zinc/49/61/66/1131496166.db2.gz SRBKMBWEOTXLAJ-MRXNPFEDSA-N 0 3 269.344 3.712 20 10 CHCDHN CC1(C)COC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000825090609 1131498822 /nfs/dbraw/zinc/49/88/22/1131498822.db2.gz CBZIFBXNFUYULV-SFHVURJKSA-N 0 3 297.398 3.574 20 10 CHCDHN COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccccc3[O-])C2)c1 ZINC000825289613 1131505079 /nfs/dbraw/zinc/50/50/79/1131505079.db2.gz BOOOMXMKFKVXCN-QAQDUYKDSA-N 0 3 297.398 3.779 20 10 CHCDHN COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccccc3[O-])C2)c1 ZINC000825289613 1131505093 /nfs/dbraw/zinc/50/50/93/1131505093.db2.gz BOOOMXMKFKVXCN-QAQDUYKDSA-N 0 3 297.398 3.779 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171092850 1131517280 /nfs/dbraw/zinc/51/72/80/1131517280.db2.gz ACUUKFMWWYJYDR-MRXNPFEDSA-N 0 3 287.790 3.693 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)Cc2ccccc2[O-])c(C)c1C ZINC001138725065 1131542953 /nfs/dbraw/zinc/54/29/53/1131542953.db2.gz ODEHUAPYQUJBOS-UHFFFAOYSA-N 0 3 299.414 3.958 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)Cc2ccccc2[O-])c(C)c1C ZINC001138725065 1131542954 /nfs/dbraw/zinc/54/29/54/1131542954.db2.gz ODEHUAPYQUJBOS-UHFFFAOYSA-N 0 3 299.414 3.958 20 10 CHCDHN Cn1ccc2cc(C[N@H+](C)Cc3ccccc3[O-])ccc21 ZINC001139192954 1131593521 /nfs/dbraw/zinc/59/35/21/1131593521.db2.gz SKZCOVJJVUUXHT-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN Cn1ccc2cc(C[N@@H+](C)Cc3ccccc3[O-])ccc21 ZINC001139192954 1131593525 /nfs/dbraw/zinc/59/35/25/1131593525.db2.gz SKZCOVJJVUUXHT-UHFFFAOYSA-N 0 3 280.371 3.516 20 10 CHCDHN C[N@H+](Cc1ccc(-n2cccc2)cc1)Cc1ccccc1[O-] ZINC001144251608 1131606901 /nfs/dbraw/zinc/60/69/01/1131606901.db2.gz IBGUBCHIHBKRLE-UHFFFAOYSA-N 0 3 292.382 3.815 20 10 CHCDHN C[N@@H+](Cc1ccc(-n2cccc2)cc1)Cc1ccccc1[O-] ZINC001144251608 1131606902 /nfs/dbraw/zinc/60/69/02/1131606902.db2.gz IBGUBCHIHBKRLE-UHFFFAOYSA-N 0 3 292.382 3.815 20 10 CHCDHN CC[N@H+](Cc1cccc(OC)c1)Cc1cc(F)ccc1[O-] ZINC001140058918 1131660166 /nfs/dbraw/zinc/66/01/66/1131660166.db2.gz ONTULAOSZVOPMM-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(F)ccc1[O-] ZINC001140058918 1131660167 /nfs/dbraw/zinc/66/01/67/1131660167.db2.gz ONTULAOSZVOPMM-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN COc1ccc(C)cc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834496496 1131680896 /nfs/dbraw/zinc/68/08/96/1131680896.db2.gz LHFLDGDIHDLSCK-INIZCTEOSA-N 0 3 297.398 3.529 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CSCc3ccccc31)CC2 ZINC000834545331 1131682848 /nfs/dbraw/zinc/68/28/48/1131682848.db2.gz YETYRCYXXDWMES-JKSUJKDBSA-N 0 3 297.423 3.957 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCc3ccccc31)CC2 ZINC000834578534 1131684987 /nfs/dbraw/zinc/68/49/87/1131684987.db2.gz UCXVYKPBYHLKJV-DOTOQJQBSA-N 0 3 279.383 3.699 20 10 CHCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)Cc1cccs1 ZINC000834603235 1131687677 /nfs/dbraw/zinc/68/76/77/1131687677.db2.gz XEGWGRMGZGWWON-SWLSCSKDSA-N 0 3 287.428 3.909 20 10 CHCDHN CC(C)CSCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834692942 1131694308 /nfs/dbraw/zinc/69/43/08/1131694308.db2.gz JMEFQVDNGZHOOX-CQSZACIVSA-N 0 3 279.449 3.748 20 10 CHCDHN CC(C)OC1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834689054 1131694409 /nfs/dbraw/zinc/69/44/09/1131694409.db2.gz IOEUWEPHXKLYSG-UYSNPLJNSA-N 0 3 289.419 3.705 20 10 CHCDHN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000846183988 1131696479 /nfs/dbraw/zinc/69/64/79/1131696479.db2.gz LLPPMKUDFJFFQF-BPUTZDHNSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c([O-])c1 ZINC000846185473 1131697949 /nfs/dbraw/zinc/69/79/49/1131697949.db2.gz AERNYZFWRFXFRN-SCLBCKFNSA-N 0 3 289.419 3.556 20 10 CHCDHN CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1(C)C ZINC000834766242 1131703249 /nfs/dbraw/zinc/70/32/49/1131703249.db2.gz RLDPWWKMHGJSLX-NUEKZKHPSA-N 0 3 289.419 3.561 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCc1ccccc1F)CC2 ZINC000834790593 1131705749 /nfs/dbraw/zinc/70/57/49/1131705749.db2.gz STEMGNKTEUQWAR-INIZCTEOSA-N 0 3 285.362 3.741 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccccc1[O-] ZINC000834817876 1131707339 /nfs/dbraw/zinc/70/73/39/1131707339.db2.gz DTAHJKBGBIAZFN-STQMWFEESA-N 0 3 285.412 3.932 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)c([O-])c1 ZINC000834885905 1131718214 /nfs/dbraw/zinc/71/82/14/1131718214.db2.gz YVAFSMJPRGAAEB-MFKMUULPSA-N 0 3 288.218 3.935 20 10 CHCDHN Cc1ccncc1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834887221 1131719523 /nfs/dbraw/zinc/71/95/23/1131719523.db2.gz QCZGDBMUERYQBT-FZMZJTMJSA-N 0 3 286.350 3.573 20 10 CHCDHN COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)c1 ZINC000834906282 1131728305 /nfs/dbraw/zinc/72/83/05/1131728305.db2.gz YSIRJDFEVXMLQK-BPUTZDHNSA-N 0 3 297.398 3.998 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)c1 ZINC000834905375 1131729048 /nfs/dbraw/zinc/72/90/48/1131729048.db2.gz GMXOPNUTQDVCJO-AWEZNQCLSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000834909133 1131730179 /nfs/dbraw/zinc/73/01/79/1131730179.db2.gz JHSCJEXSVLFWJI-ZBFHGGJFSA-N 0 3 291.435 3.947 20 10 CHCDHN Cc1nsc(C)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846862688 1131745811 /nfs/dbraw/zinc/74/58/11/1131745811.db2.gz WUOSNPPWQIPSKN-NSHDSACASA-N 0 3 289.448 3.677 20 10 CHCDHN C[C@H]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])O1 ZINC000835088827 1131771019 /nfs/dbraw/zinc/77/10/19/1131771019.db2.gz VIPOMLSSWNAOCV-KBXCAEBGSA-N 0 3 297.398 3.716 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC001140950209 1131969402 /nfs/dbraw/zinc/96/94/02/1131969402.db2.gz VRILDJFXBBJDGN-AWEZNQCLSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC001140950209 1131969409 /nfs/dbraw/zinc/96/94/09/1131969409.db2.gz VRILDJFXBBJDGN-AWEZNQCLSA-N 0 3 285.362 3.829 20 10 CHCDHN C[C@@H](NCc1ccccc1O)c1ccc(F)cc1F ZINC000036952738 1131983075 /nfs/dbraw/zinc/98/30/75/1131983075.db2.gz VZIYCDIKEAATHL-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)c([O-])c1 ZINC000036993356 1131985448 /nfs/dbraw/zinc/98/54/48/1131985448.db2.gz MAGZFBCGIFBTTF-QWHCGFSZSA-N 0 3 259.349 3.575 20 10 CHCDHN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1[O-] ZINC000716000434 1132007928 /nfs/dbraw/zinc/00/79/28/1132007928.db2.gz JAZDICUNMIIOIJ-FUDCBSFHSA-N 0 3 277.433 3.717 20 10 CHCDHN Oc1ccc(O)c(CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC001141156602 1132028994 /nfs/dbraw/zinc/02/89/94/1132028994.db2.gz OIDZIKCGVWAMDJ-MRXNPFEDSA-N 0 3 287.334 3.574 20 10 CHCDHN Oc1ccc(O)c(CN2CCC[C@H]2c2ccccc2F)c1 ZINC001141159330 1132031524 /nfs/dbraw/zinc/03/15/24/1132031524.db2.gz FDBLPQSCKXJMKL-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN Cc1cccc2c1CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C2 ZINC001171552990 1132052924 /nfs/dbraw/zinc/05/29/24/1132052924.db2.gz JRGUDOADQHCPOP-GOEBONIOSA-N 0 3 281.399 3.909 20 10 CHCDHN CC[C@@H]1CN(Cc2ccc(N(C)CC)cc2)[C@H](CC)CO1 ZINC001171778860 1132098717 /nfs/dbraw/zinc/09/87/17/1132098717.db2.gz QULLHEQMNXDWPE-SJLPKXTDSA-N 0 3 290.451 3.532 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CSc2ccccc2C1)c1ccccc1[O-] ZINC001172188748 1132137480 /nfs/dbraw/zinc/13/74/80/1132137480.db2.gz WDEDXLPGOVMSFL-JSGCOSHPSA-N 0 3 285.412 3.760 20 10 CHCDHN CN(Cc1ccc2cc(F)ccc2n1)Cc1ccccc1O ZINC001141650949 1132225026 /nfs/dbraw/zinc/22/50/26/1132225026.db2.gz PJPBRUBBUQNGTI-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1(C3CCC3)CCC1)CC2 ZINC000840811454 1132290638 /nfs/dbraw/zinc/29/06/38/1132290638.db2.gz LATAMNDSHQANEX-AWEZNQCLSA-N 0 3 257.377 3.692 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@](C)(OC)C1CC1)c1ccc(C)cc1[O-] ZINC000840858840 1132295512 /nfs/dbraw/zinc/29/55/12/1132295512.db2.gz GZHIPPALFDWLBD-RPVQJOFSSA-N 0 3 291.435 3.945 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1ccc(C)cc1[O-] ZINC000840872309 1132299326 /nfs/dbraw/zinc/29/93/26/1132299326.db2.gz KHQXXYSVLPZEMF-YXWQFLTLSA-N 0 3 277.408 3.555 20 10 CHCDHN CCCO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588991 1132318811 /nfs/dbraw/zinc/31/88/11/1132318811.db2.gz ULORAGHMBVQGIG-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN CCCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231588991 1132318837 /nfs/dbraw/zinc/31/88/37/1132318837.db2.gz ULORAGHMBVQGIG-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN Cc1ccc2c(c1)C[C@@H]([N@H+](C)Cc1ccccc1[O-])CC2 ZINC001172840390 1132333701 /nfs/dbraw/zinc/33/37/01/1132333701.db2.gz BFVPHIVMQCBNOQ-SFHVURJKSA-N 0 3 281.399 3.690 20 10 CHCDHN Cc1ccc2c(c1)C[C@@H]([N@@H+](C)Cc1ccccc1[O-])CC2 ZINC001172840390 1132333710 /nfs/dbraw/zinc/33/37/10/1132333710.db2.gz BFVPHIVMQCBNOQ-SFHVURJKSA-N 0 3 281.399 3.690 20 10 CHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC001231854013 1132378470 /nfs/dbraw/zinc/37/84/70/1132378470.db2.gz VOAPIPIECUUKJT-YOEHRIQHSA-N 0 3 288.435 3.526 20 10 CHCDHN CCCN1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841743497 1132387541 /nfs/dbraw/zinc/38/75/41/1132387541.db2.gz HXPJUXIPQJKZFU-GFCCVEGCSA-N 0 3 296.842 3.571 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2COCc3ccccc32)c1 ZINC000841758350 1132394954 /nfs/dbraw/zinc/39/49/54/1132394954.db2.gz AOKMYHVAFOGHOJ-DYVFJYSZSA-N 0 3 283.371 3.623 20 10 CHCDHN CC[N@H+](CCSC)Cc1c([O-])ccc2ccccc21 ZINC000842645433 1132448001 /nfs/dbraw/zinc/44/80/01/1132448001.db2.gz ZIIHZQYUAPXOJW-UHFFFAOYSA-N 0 3 275.417 3.730 20 10 CHCDHN CC[N@@H+](CCSC)Cc1c([O-])ccc2ccccc21 ZINC000842645433 1132448007 /nfs/dbraw/zinc/44/80/07/1132448007.db2.gz ZIIHZQYUAPXOJW-UHFFFAOYSA-N 0 3 275.417 3.730 20 10 CHCDHN Cc1ccccc1C1([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000842887072 1132473374 /nfs/dbraw/zinc/47/33/74/1132473374.db2.gz AKRSETCVJNTGNC-MRXNPFEDSA-N 0 3 279.383 3.967 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CO)C[C@@H](C)CC)c1ccc(C)cc1[O-] ZINC000842915914 1132476643 /nfs/dbraw/zinc/47/66/43/1132476643.db2.gz HWKSZKIMKSSULO-JGGQBBKZSA-N 0 3 279.424 3.538 20 10 CHCDHN CN(Cc1cccc(C(C)(C)C)c1O)C1CC(F)(F)C1 ZINC001143103433 1132501872 /nfs/dbraw/zinc/50/18/72/1132501872.db2.gz DBDYRCHMTXZRLA-UHFFFAOYSA-N 0 3 283.362 3.919 20 10 CHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1[O-])C1CCCCC1 ZINC001232834736 1132527979 /nfs/dbraw/zinc/52/79/79/1132527979.db2.gz LBGUWHHAAGWUQL-UHFFFAOYSA-N 0 3 276.424 3.613 20 10 CHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1[O-])C1CCCCC1 ZINC001232834736 1132527985 /nfs/dbraw/zinc/52/79/85/1132527985.db2.gz LBGUWHHAAGWUQL-UHFFFAOYSA-N 0 3 276.424 3.613 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC2(CC=CC2)[C@@H]1C(C)C ZINC000843432589 1132535397 /nfs/dbraw/zinc/53/53/97/1132535397.db2.gz ZERHMGQDIIBKLI-KRWDZBQOSA-N 0 3 287.403 3.577 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC2(CC=CC2)[C@@H]1C(C)C ZINC000843432589 1132535403 /nfs/dbraw/zinc/53/54/03/1132535403.db2.gz ZERHMGQDIIBKLI-KRWDZBQOSA-N 0 3 287.403 3.577 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(C)cc1C ZINC001233010933 1132562208 /nfs/dbraw/zinc/56/22/08/1132562208.db2.gz DSNVMFJHCLNHLW-UHFFFAOYSA-N 0 3 297.446 3.787 20 10 CHCDHN Cc1ccc(Cl)cc1CN1CCc2cccc(O)c2C1 ZINC001233250774 1132588458 /nfs/dbraw/zinc/58/84/58/1132588458.db2.gz ZGAIDSKBBKDXQP-UHFFFAOYSA-N 0 3 287.790 3.912 20 10 CHCDHN CN(Cc1cccnc1)Cc1cc(C(C)(C)C)ccc1O ZINC001233283476 1132594455 /nfs/dbraw/zinc/59/44/55/1132594455.db2.gz IKTKHCTWQWCVFH-UHFFFAOYSA-N 0 3 284.403 3.717 20 10 CHCDHN CN(Cc1cc(C(C)(C)C)ccc1O)C1CC(F)(F)C1 ZINC001233284454 1132594932 /nfs/dbraw/zinc/59/49/32/1132594932.db2.gz VFINNMAREDQHKB-UHFFFAOYSA-N 0 3 283.362 3.919 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1cc3cccnc3s1)CC2 ZINC001233349370 1132608808 /nfs/dbraw/zinc/60/88/08/1132608808.db2.gz PEHNNWQFYAKVTL-UHFFFAOYSA-N 0 3 296.395 3.560 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1cc3cccnc3s1)CC2 ZINC001233349370 1132608810 /nfs/dbraw/zinc/60/88/10/1132608810.db2.gz PEHNNWQFYAKVTL-UHFFFAOYSA-N 0 3 296.395 3.560 20 10 CHCDHN CCN(CC)c1ccc(CN2CC(c3cccnc3)C2)cc1 ZINC001203941549 1133387547 /nfs/dbraw/zinc/38/75/47/1133387547.db2.gz BEZXJYHYWYTTOW-UHFFFAOYSA-N 0 3 295.430 3.527 20 10 CHCDHN C[C@@H]1[C@H](C)SCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001204768497 1133483352 /nfs/dbraw/zinc/48/33/52/1133483352.db2.gz JTMQJDLPADYMKL-JGUVHBTRSA-N 0 3 290.476 3.592 20 10 CHCDHN COCCC(C)(C)C[NH2+]Cc1cc(C(C)C)ccc1[O-] ZINC001205348213 1133566566 /nfs/dbraw/zinc/56/65/66/1133566566.db2.gz ZWXMLGLSVFOPFV-UHFFFAOYSA-N 0 3 279.424 3.668 20 10 CHCDHN CCC[C@@H]([NH2+]Cc1ccc(OC)cc1[O-])[C@H]1CC1(C)C ZINC001205517484 1133585072 /nfs/dbraw/zinc/58/50/72/1133585072.db2.gz QYWAUFVBWGGTCP-HUUCEWRRSA-N 0 3 277.408 3.705 20 10 CHCDHN Cc1ccoc1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000312869628 1135135622 /nfs/dbraw/zinc/13/56/22/1135135622.db2.gz UAMXUMWBHZQOBI-CHWSQXEVSA-N 0 3 271.360 3.940 20 10 CHCDHN Cc1ccc([O-])c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1cccnc1 ZINC000020127811 171013419 /nfs/dbraw/zinc/01/34/19/171013419.db2.gz CURACHQIEXDXDQ-IPYPFGDCSA-N 0 3 282.387 3.995 20 10 CHCDHN Cc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000020134476 171022802 /nfs/dbraw/zinc/02/28/02/171022802.db2.gz JHDGWGJQZPELAU-CQSZACIVSA-N 0 3 255.361 3.860 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000020137293 171024481 /nfs/dbraw/zinc/02/44/81/171024481.db2.gz MEQXPZUOCXBGOY-ZIAGYGMSSA-N 0 3 285.387 3.855 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cccc(F)c2)c1 ZINC000020147927 171035270 /nfs/dbraw/zinc/03/52/70/171035270.db2.gz VAZVUEIAJBPOMY-RYUDHWBXSA-N 0 3 289.350 3.952 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000020147927 171035272 /nfs/dbraw/zinc/03/52/72/171035272.db2.gz VAZVUEIAJBPOMY-RYUDHWBXSA-N 0 3 289.350 3.952 20 10 CHCDHN COc1ccc(CN[C@@H]2CCCc3occc32)cc1C ZINC000035273643 172094054 /nfs/dbraw/zinc/09/40/54/172094054.db2.gz IPWYTIMOYAWVIB-OAHLLOKOSA-N 0 3 271.360 3.764 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000035628529 172307273 /nfs/dbraw/zinc/30/72/73/172307273.db2.gz MNGWXVGCUIVBEY-CYBMUJFWSA-N 0 3 273.351 3.733 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccsc1)c1ccccc1[O-] ZINC000042599322 174815697 /nfs/dbraw/zinc/81/56/97/174815697.db2.gz NAKOISBQXBBCCT-AWEZNQCLSA-N 0 3 261.390 3.737 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(COC)cc1)c1ccccc1[O-] ZINC000155013611 261097308 /nfs/dbraw/zinc/09/73/08/261097308.db2.gz QUPKTXQZFKHJEG-QGZVFWFLSA-N 0 3 285.387 3.780 20 10 CHCDHN CC[C@@H]([NH2+]CCc1nc(C)c(C)s1)c1ccccc1[O-] ZINC000156387892 261122236 /nfs/dbraw/zinc/12/22/36/261122236.db2.gz DBTFDBGUTDEJNI-CQSZACIVSA-N 0 3 290.432 3.749 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccn1 ZINC000157070996 261139201 /nfs/dbraw/zinc/13/92/01/261139201.db2.gz ZFYQPHCJCHZQOQ-AWEZNQCLSA-N 0 3 270.376 3.760 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccn1 ZINC000157070996 261139203 /nfs/dbraw/zinc/13/92/03/261139203.db2.gz ZFYQPHCJCHZQOQ-AWEZNQCLSA-N 0 3 270.376 3.760 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccn1 ZINC000157071155 261139352 /nfs/dbraw/zinc/13/93/52/261139352.db2.gz ZFYQPHCJCHZQOQ-CQSZACIVSA-N 0 3 270.376 3.760 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccn1 ZINC000157071155 261139353 /nfs/dbraw/zinc/13/93/53/261139353.db2.gz ZFYQPHCJCHZQOQ-CQSZACIVSA-N 0 3 270.376 3.760 20 10 CHCDHN CCN1CC[C@H](C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000249370318 261249804 /nfs/dbraw/zinc/24/98/04/261249804.db2.gz AKWOZKOBNZUWOX-HUUCEWRRSA-N 0 3 298.430 3.538 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccccc1[O-] ZINC000183475567 261976681 /nfs/dbraw/zinc/97/66/81/261976681.db2.gz FVTLYRJLIXAYPS-XJKSGUPXSA-N 0 3 283.371 3.957 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1 ZINC000185351549 262051872 /nfs/dbraw/zinc/05/18/72/262051872.db2.gz OLWNIBXIKYWFBI-KBPBESRZSA-N 0 3 285.387 3.688 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000186777962 262109542 /nfs/dbraw/zinc/10/95/42/262109542.db2.gz QCKUMRXRJGJUBK-AAEUAGOBSA-N 0 3 290.432 3.920 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2nccs2)c([O-])c1 ZINC000186743687 262322860 /nfs/dbraw/zinc/32/28/60/262322860.db2.gz ASYWDNLUZGAPPW-RYUDHWBXSA-N 0 3 276.405 3.611 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1[O-] ZINC000281226274 263067323 /nfs/dbraw/zinc/06/73/23/263067323.db2.gz VJKPEQXCRUXUHS-WCQYABFASA-N 0 3 269.335 3.868 20 10 CHCDHN CCN(Cc1cc(C)ccc1O)[C@H](C)c1cccnc1 ZINC000290447206 263116734 /nfs/dbraw/zinc/11/67/34/263116734.db2.gz MCLYBFKEUYZPAS-CQSZACIVSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[N@H+](Cc1cc(C)ccc1[O-])[C@H](C)c1cccnc1 ZINC000290447206 263116735 /nfs/dbraw/zinc/11/67/35/263116735.db2.gz MCLYBFKEUYZPAS-CQSZACIVSA-N 0 3 270.376 3.679 20 10 CHCDHN CC[N@@H+](Cc1cc(C)ccc1[O-])[C@H](C)c1cccnc1 ZINC000290447206 263116736 /nfs/dbraw/zinc/11/67/36/263116736.db2.gz MCLYBFKEUYZPAS-CQSZACIVSA-N 0 3 270.376 3.679 20 10 CHCDHN COc1cccc(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000370560410 267328203 /nfs/dbraw/zinc/32/82/03/267328203.db2.gz YODKBIVPKCSAAH-IAOVAPTHSA-N 0 3 297.398 3.683 20 10 CHCDHN CC[C@H](NCc1cn2c(cccc2C)n1)c1ccccc1O ZINC000183331236 327819322 /nfs/dbraw/zinc/81/93/22/327819322.db2.gz HSYVKWRECFSECR-INIZCTEOSA-N 0 3 295.386 3.589 20 10 CHCDHN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185564301 327841030 /nfs/dbraw/zinc/84/10/30/327841030.db2.gz MQONWBZYBFYEOM-STQMWFEESA-N 0 3 265.397 3.555 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000185834292 327847103 /nfs/dbraw/zinc/84/71/03/327847103.db2.gz LPTKGYVGNBFFBR-MPGHIAIKSA-N 0 3 299.414 3.863 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)c([O-])c1 ZINC000285128794 328247266 /nfs/dbraw/zinc/24/72/66/328247266.db2.gz LKPJSVROZRMMAZ-CHWSQXEVSA-N 0 3 290.432 3.920 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000377796155 329029841 /nfs/dbraw/zinc/02/98/41/329029841.db2.gz LQAOJSDYFQZANJ-GMBSWORKSA-N 0 3 297.398 3.963 20 10 CHCDHN COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000378630017 329057112 /nfs/dbraw/zinc/05/71/12/329057112.db2.gz GDCKPYDHAMOMDM-WFASDCNBSA-N 0 3 299.370 3.575 20 10 CHCDHN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2[O-])n1 ZINC000180277717 329219471 /nfs/dbraw/zinc/21/94/71/329219471.db2.gz RFRPPWHLCCCKLE-QGZVFWFLSA-N 0 3 282.387 3.741 20 10 CHCDHN Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(C)c2[O-])n1 ZINC000180277717 329219472 /nfs/dbraw/zinc/21/94/72/329219472.db2.gz RFRPPWHLCCCKLE-QGZVFWFLSA-N 0 3 282.387 3.741 20 10 CHCDHN COc1ccc([C@H]([NH2+][C@H](C)c2ccccc2[O-])C2CC2)cn1 ZINC000528041627 330305803 /nfs/dbraw/zinc/30/58/03/330305803.db2.gz BTFQBOVMGILOFG-KZULUSFZSA-N 0 3 298.386 3.598 20 10 CHCDHN CC(C)([NH2+]Cc1ccccc1[O-])c1cccc(F)c1 ZINC000076901936 519325568 /nfs/dbraw/zinc/32/55/68/519325568.db2.gz NXTUMDKHWOIIFC-UHFFFAOYSA-N 0 3 259.324 3.556 20 10 CHCDHN CCCc1nc(C)c(CN[C@@H](C)c2cc(C)ccc2O)o1 ZINC000293785278 521496922 /nfs/dbraw/zinc/49/69/22/521496922.db2.gz UDGBDXXCUGGDDF-LBPRGKRZSA-N 0 3 288.391 3.800 20 10 CHCDHN CCOC(C)(C)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280154096 521627488 /nfs/dbraw/zinc/62/74/88/521627488.db2.gz QIYGVOZDUHGIAP-CQSZACIVSA-N 0 3 265.397 3.556 20 10 CHCDHN CCc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000084200321 521843060 /nfs/dbraw/zinc/84/30/60/521843060.db2.gz NYLPLVSSOHSXPF-CYBMUJFWSA-N 0 3 255.361 3.805 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000280288060 522599346 /nfs/dbraw/zinc/59/93/46/522599346.db2.gz ZATOHAIZAJOIRU-INMHGKMJSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(C)cc1[O-] ZINC000280119786 522698168 /nfs/dbraw/zinc/69/81/68/522698168.db2.gz OGQHVEPLVUHBEE-ZFWWWQNUSA-N 0 3 270.376 3.898 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(C)cc1[O-] ZINC000280269172 522719774 /nfs/dbraw/zinc/71/97/74/522719774.db2.gz XTSJOZODXFZHLC-HFTRVMKXSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000290161515 522735717 /nfs/dbraw/zinc/73/57/17/522735717.db2.gz DETHPXILTXEBIK-LJHODMEESA-N 0 3 299.414 3.863 20 10 CHCDHN CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccccc1[O-] ZINC000274741696 522822093 /nfs/dbraw/zinc/82/20/93/522822093.db2.gz FKWHEGNLOLHTGY-GOEBONIOSA-N 0 3 291.435 3.622 20 10 CHCDHN CC[C@@H]([NH2+]CCCc1cccc(C)n1)c1ccccc1[O-] ZINC000287542821 522831622 /nfs/dbraw/zinc/83/16/22/522831622.db2.gz PINAQCYABSLEGS-QGZVFWFLSA-N 0 3 284.403 3.769 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280105871 522862204 /nfs/dbraw/zinc/86/22/04/522862204.db2.gz NIWWFYHUXOKBOL-SJLPKXTDSA-N 0 3 299.414 3.517 20 10 CHCDHN CC[C@@H](NCc1nc(C2CC2)cs1)c1ccccc1O ZINC000130134382 522893486 /nfs/dbraw/zinc/89/34/86/522893486.db2.gz OSVNEBGBJTWXCM-CYBMUJFWSA-N 0 3 288.416 3.967 20 10 CHCDHN COCc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617648 523106643 /nfs/dbraw/zinc/10/66/43/523106643.db2.gz ZGPJFUJTYPXAHA-GFCCVEGCSA-N 0 3 289.350 3.529 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCC(F)(F)CC1 ZINC000290136495 523180323 /nfs/dbraw/zinc/18/03/23/523180323.db2.gz JYWOWPALNAJLOG-UHFFFAOYSA-N 0 3 273.298 3.541 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCC(F)(F)CC1 ZINC000290136495 523180331 /nfs/dbraw/zinc/18/03/31/523180331.db2.gz JYWOWPALNAJLOG-UHFFFAOYSA-N 0 3 273.298 3.541 20 10 CHCDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000289799631 523427619 /nfs/dbraw/zinc/42/76/19/523427619.db2.gz LYSYHVWGEXLREU-KGLIPLIRSA-N 0 3 285.387 3.572 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2C)c1 ZINC000037718889 524773051 /nfs/dbraw/zinc/77/30/51/524773051.db2.gz VJZMJOUPTYVWNK-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(N(C)C)cc1 ZINC000130333499 525582287 /nfs/dbraw/zinc/58/22/87/525582287.db2.gz YHOIYGFUROTYOK-SCLBCKFNSA-N 0 3 296.414 3.796 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cc(F)ccc1[O-] ZINC000094617006 525639753 /nfs/dbraw/zinc/63/97/53/525639753.db2.gz SOIPIERAOFOPDQ-QMTHXVAHSA-N 0 3 275.323 3.853 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2CC(F)(F)C2)c([O-])c1C ZINC000293380657 525725561 /nfs/dbraw/zinc/72/55/61/525725561.db2.gz IHZBNTBPCVDQJH-LLVKDONJSA-N 0 3 269.335 3.705 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc32)c([O-])c1 ZINC000290459479 525730218 /nfs/dbraw/zinc/73/02/18/525730218.db2.gz WLVYRWRVRVUUMM-KGLIPLIRSA-N 0 3 283.371 3.527 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000273503732 525938311 /nfs/dbraw/zinc/93/83/11/525938311.db2.gz QOVBBXDKOHDWGR-VBQJREDUSA-N 0 3 277.408 3.555 20 10 CHCDHN Cc1nc(C)c([C@@H](C)NCc2ccc(N(C)C)cc2)s1 ZINC000040445928 526746729 /nfs/dbraw/zinc/74/67/29/526746729.db2.gz JOXBAPZKIACMDF-LLVKDONJSA-N 0 3 289.448 3.677 20 10 CHCDHN C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccccc1[O-] ZINC000109772799 1125469455 /nfs/dbraw/zinc/46/94/55/1125469455.db2.gz AQNCPDDOYUYUNL-GFCCVEGCSA-N 0 3 259.324 3.724 20 10 CHCDHN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1[O-] ZINC000109772799 1125469457 /nfs/dbraw/zinc/46/94/57/1125469457.db2.gz AQNCPDDOYUYUNL-GFCCVEGCSA-N 0 3 259.324 3.724 20 10 CHCDHN C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc(F)ccc1[O-] ZINC000850537673 1123287695 /nfs/dbraw/zinc/28/76/95/1123287695.db2.gz WYNBJRCTVCRKBD-NOZJJQNGSA-N 0 3 273.298 3.617 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)c2c1c(F)ccc2[O-] ZINC000850532287 1123285991 /nfs/dbraw/zinc/28/59/91/1123285991.db2.gz SRMHLLXRFWTJMA-ONGXEEELSA-N 0 3 269.335 3.807 20 10 CHCDHN Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c1[O-] ZINC001140178696 1131673005 /nfs/dbraw/zinc/67/30/05/1131673005.db2.gz VBIJPIQVIMKICQ-IUODEOHRSA-N 0 3 261.409 3.877 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c1[O-] ZINC000834913935 1131733080 /nfs/dbraw/zinc/73/30/80/1131733080.db2.gz JNIAMEKCYDCKGT-GMXVVIOVSA-N 0 3 283.799 3.572 20 10 CHCDHN CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001172328843 1132172693 /nfs/dbraw/zinc/17/26/93/1132172693.db2.gz QFMXGXDHTJRTLG-IHRRRGAJSA-N 0 3 265.397 3.637 20 10 CHCDHN CCC[N@H+](Cc1cc(C)co1)Cc1ccccc1[O-] ZINC001204756824 1133481865 /nfs/dbraw/zinc/48/18/65/1133481865.db2.gz PHAAEPONMIZVMU-UHFFFAOYSA-N 0 3 259.349 3.706 20 10 CHCDHN CCC[N@@H+](Cc1cc(C)co1)Cc1ccccc1[O-] ZINC001204756824 1133481867 /nfs/dbraw/zinc/48/18/67/1133481867.db2.gz PHAAEPONMIZVMU-UHFFFAOYSA-N 0 3 259.349 3.706 20 10 CHCDHN CC1CCN(c2ccc(CNCc3cccn3C)cc2)CC1 ZINC000119150761 1125528948 /nfs/dbraw/zinc/52/89/48/1125528948.db2.gz LOCXQMYJUCZSRZ-UHFFFAOYSA-N 0 3 297.446 3.551 20 10 CHCDHN CCCCOc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000134236924 1125546326 /nfs/dbraw/zinc/54/63/26/1125546326.db2.gz LZUXWHKLVUAODA-UHFFFAOYSA-N 0 3 285.387 3.861 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282917395 1125554499 /nfs/dbraw/zinc/55/44/99/1125554499.db2.gz DVNJSGASJPVSSG-AWEZNQCLSA-N 0 3 299.336 3.947 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282917395 1125554505 /nfs/dbraw/zinc/55/45/05/1125554505.db2.gz DVNJSGASJPVSSG-AWEZNQCLSA-N 0 3 299.336 3.947 20 10 CHCDHN COc1cccc([C@@H](C)NCc2cscc2Cl)c1O ZINC000886657904 1125703978 /nfs/dbraw/zinc/70/39/78/1125703978.db2.gz IAPXLWXOKGVLAQ-SECBINFHSA-N 0 3 297.807 3.967 20 10 CHCDHN CC(C)[N@H+](Cc1cccs1)Cc1ccccc1[O-] ZINC000770509173 1129947897 /nfs/dbraw/zinc/94/78/97/1129947897.db2.gz JDUUIOHLBWETSD-UHFFFAOYSA-N 0 3 261.390 3.864 20 10 CHCDHN CC(C)[N@@H+](Cc1cccs1)Cc1ccccc1[O-] ZINC000770509173 1129947900 /nfs/dbraw/zinc/94/79/00/1129947900.db2.gz JDUUIOHLBWETSD-UHFFFAOYSA-N 0 3 261.390 3.864 20 10 CHCDHN CC[C@@H]([NH2+]CCSCC(C)C)c1ccccc1[O-] ZINC000397388033 1130216658 /nfs/dbraw/zinc/21/66/58/1130216658.db2.gz IQSJLGFYKLJFOA-CQSZACIVSA-N 0 3 267.438 3.822 20 10 CHCDHN CC(C)CCOC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179944615 1126836754 /nfs/dbraw/zinc/83/67/54/1126836754.db2.gz MAPPQUNNUAMMMD-UHFFFAOYSA-N 0 3 295.398 3.558 20 10 CHCDHN Cc1cc(O)c(CN(C)[C@@H](C)c2ccccn2)cc1C ZINC000182067355 1126865492 /nfs/dbraw/zinc/86/54/92/1126865492.db2.gz AWKKSQODNOIXKL-AWEZNQCLSA-N 0 3 270.376 3.597 20 10 CHCDHN CC[C@](C)(NCc1cccc(C)c1O)c1nc(C)cs1 ZINC000182226524 1126868859 /nfs/dbraw/zinc/86/88/59/1126868859.db2.gz UHERIJQHGVQSNB-INIZCTEOSA-N 0 3 290.432 3.881 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccccc1[O-] ZINC000183467287 1126887480 /nfs/dbraw/zinc/88/74/80/1126887480.db2.gz WAWHYULJGQOWFP-JVPBZIDWSA-N 0 3 297.398 3.963 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000183504745 1126887499 /nfs/dbraw/zinc/88/74/99/1126887499.db2.gz NJDYZEUBTUQLHF-UONOGXRCSA-N 0 3 283.371 3.609 20 10 CHCDHN C[C@@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587334 1126889634 /nfs/dbraw/zinc/88/96/34/1126889634.db2.gz FQERAZBIWBLTRS-SUNYJGFJSA-N 0 3 285.387 3.555 20 10 CHCDHN CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271429302 1127080718 /nfs/dbraw/zinc/08/07/18/1127080718.db2.gz AWFGVTZZPMBLSK-DLBZAZTESA-N 0 3 298.434 3.594 20 10 CHCDHN C[C@H]1CN(Cc2c(O)ccc(F)c2Cl)CCC1(F)F ZINC001237122755 1131055613 /nfs/dbraw/zinc/05/56/13/1131055613.db2.gz XYAKEEMGHFUMEC-QMMMGPOBSA-N 0 3 293.716 3.662 20 10 CHCDHN CC[C@@H]([NH2+]CCCC(C)(C)COC)c1ccccc1[O-] ZINC000287043155 1127284292 /nfs/dbraw/zinc/28/42/92/1127284292.db2.gz MJXBOFRPECBLIA-OAHLLOKOSA-N 0 3 279.424 3.886 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[O-] ZINC000818360196 1131211507 /nfs/dbraw/zinc/21/15/07/1131211507.db2.gz OBEPEEFRTUQLJW-KQXIARHKSA-N 0 3 265.784 3.803 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000761195815 1127517953 /nfs/dbraw/zinc/51/79/53/1127517953.db2.gz OYZKPGXFHQCBIG-AWEZNQCLSA-N 0 3 295.810 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000761195815 1127517955 /nfs/dbraw/zinc/51/79/55/1127517955.db2.gz OYZKPGXFHQCBIG-AWEZNQCLSA-N 0 3 295.810 3.819 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2cc(F)cc(F)c2)c([O-])c1 ZINC000060717711 1127564988 /nfs/dbraw/zinc/56/49/88/1127564988.db2.gz FLJIBDQWGJTQMX-LBPRGKRZSA-N 0 3 291.341 3.872 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(C)C)C2)c1[O-] ZINC000228667828 1127583217 /nfs/dbraw/zinc/58/32/17/1127583217.db2.gz NEYVAVZXSUWMFS-LLVKDONJSA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(C)C)C2)c1[O-] ZINC000228667828 1127583221 /nfs/dbraw/zinc/58/32/21/1127583221.db2.gz NEYVAVZXSUWMFS-LLVKDONJSA-N 0 3 283.799 3.532 20 10 CHCDHN C[C@H](Cc1cccs1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295974604 1129220727 /nfs/dbraw/zinc/22/07/27/1129220727.db2.gz MVIULIGRMYTHOM-RISCZKNCSA-N 0 3 273.401 3.662 20 10 CHCDHN C[C@H](CC(C)(C)O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000295059326 1127617405 /nfs/dbraw/zinc/61/74/05/1127617405.db2.gz OCGXQXWBGLLTAJ-CQSZACIVSA-N 0 3 299.414 3.698 20 10 CHCDHN [O-]c1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000060942022 1127624753 /nfs/dbraw/zinc/62/47/53/1127624753.db2.gz KIJWKWNBVAOUNG-UHFFFAOYSA-N 0 3 281.277 3.701 20 10 CHCDHN C[C@H](NCc1cccc(C(F)(F)F)n1)c1ccccc1O ZINC000296256772 1127666978 /nfs/dbraw/zinc/66/69/78/1127666978.db2.gz DBXYBZSUZSRRBC-JTQLQIEISA-N 0 3 296.292 3.657 20 10 CHCDHN Cc1cccnc1CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000296636604 1127679288 /nfs/dbraw/zinc/67/92/88/1127679288.db2.gz XTAQCNSJWNEKJX-ZDUSSCGKSA-N 0 3 288.366 3.518 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccccc1[O-] ZINC000927059713 1128212465 /nfs/dbraw/zinc/21/24/65/1128212465.db2.gz LNEUGJUJQYVZDS-IUODEOHRSA-N 0 3 268.360 3.515 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cc(F)ccc1[O-] ZINC000927063600 1128212922 /nfs/dbraw/zinc/21/29/22/1128212922.db2.gz HNTUOSJGNDWKDG-NHYWBVRUSA-N 0 3 286.350 3.655 20 10 CHCDHN COc1cccc([C@@H](C)N[C@@H]2CCCc3cccnc32)c1O ZINC000927062999 1128213561 /nfs/dbraw/zinc/21/35/61/1128213561.db2.gz RJIQJWBQMUHIDR-IUODEOHRSA-N 0 3 298.386 3.524 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c([O-])c1 ZINC000927069474 1128215781 /nfs/dbraw/zinc/21/57/81/1128215781.db2.gz MZIWWHFHWUWBIW-DHSIGJKJSA-N 0 3 289.419 3.556 20 10 CHCDHN C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001168497272 1128329901 /nfs/dbraw/zinc/32/99/01/1128329901.db2.gz NGUAWEHJEURNIZ-ZDUSSCGKSA-N 0 3 285.362 3.521 20 10 CHCDHN C[C@@H](Cc1cccc(F)c1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001168497272 1128329906 /nfs/dbraw/zinc/32/99/06/1128329906.db2.gz NGUAWEHJEURNIZ-ZDUSSCGKSA-N 0 3 285.362 3.521 20 10 CHCDHN C[C@H](Cc1cccc(F)c1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001168497265 1128329947 /nfs/dbraw/zinc/32/99/47/1128329947.db2.gz NGUAWEHJEURNIZ-CYBMUJFWSA-N 0 3 285.362 3.521 20 10 CHCDHN C[C@H](Cc1cccc(F)c1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001168497265 1128329950 /nfs/dbraw/zinc/32/99/50/1128329950.db2.gz NGUAWEHJEURNIZ-CYBMUJFWSA-N 0 3 285.362 3.521 20 10 CHCDHN COc1cccc(O)c1CN(C)Cc1cc(C)ccc1C ZINC000763378890 1128427050 /nfs/dbraw/zinc/42/70/50/1128427050.db2.gz GEHPFRVWUBSUKC-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)Cc1cc(C)ccc1C ZINC000763378890 1128427054 /nfs/dbraw/zinc/42/70/54/1128427054.db2.gz GEHPFRVWUBSUKC-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)Cc1cc(C)ccc1C ZINC000763378890 1128427056 /nfs/dbraw/zinc/42/70/56/1128427056.db2.gz GEHPFRVWUBSUKC-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1C ZINC000934701451 1128467412 /nfs/dbraw/zinc/46/74/12/1128467412.db2.gz POMSHWUSUFJLLF-SFHVURJKSA-N 0 3 282.387 3.640 20 10 CHCDHN CCCC[C@H](COC)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000155902564 1128618678 /nfs/dbraw/zinc/61/86/78/1128618678.db2.gz QGRVAMHXXVSULJ-UKRRQHHQSA-N 0 3 265.397 3.638 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccccc1[O-] ZINC000156410926 1128635896 /nfs/dbraw/zinc/63/58/96/1128635896.db2.gz YBIXAVSRZXDXAC-SJORKVTESA-N 0 3 291.435 3.764 20 10 CHCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000778998904 1128675411 /nfs/dbraw/zinc/67/54/11/1128675411.db2.gz FEKWABHUIMDREI-KRWDZBQOSA-N 0 3 267.372 3.975 20 10 CHCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000778998904 1128675414 /nfs/dbraw/zinc/67/54/14/1128675414.db2.gz FEKWABHUIMDREI-KRWDZBQOSA-N 0 3 267.372 3.975 20 10 CHCDHN CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000779010359 1128677117 /nfs/dbraw/zinc/67/71/17/1128677117.db2.gz ULETZOWZSBQRCV-AWEZNQCLSA-N 0 3 251.345 3.542 20 10 CHCDHN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000779010359 1128677119 /nfs/dbraw/zinc/67/71/19/1128677119.db2.gz ULETZOWZSBQRCV-AWEZNQCLSA-N 0 3 251.345 3.542 20 10 CHCDHN CCS[C@H]1CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779015666 1128679840 /nfs/dbraw/zinc/67/98/40/1128679840.db2.gz AOEFUAAPOHEGBZ-AWEZNQCLSA-N 0 3 283.412 3.639 20 10 CHCDHN CCS[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779015666 1128679844 /nfs/dbraw/zinc/67/98/44/1128679844.db2.gz AOEFUAAPOHEGBZ-AWEZNQCLSA-N 0 3 283.412 3.639 20 10 CHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC(C)C2)c1[O-] ZINC000779036711 1128697508 /nfs/dbraw/zinc/69/75/08/1128697508.db2.gz QLHQQJNWVIFVCA-KRBLXSNTSA-N 0 3 298.224 3.912 20 10 CHCDHN C[C@@H]([NH2+]CCCNc1ccccc1)c1cc(F)ccc1[O-] ZINC000185489598 1117830143 /nfs/dbraw/zinc/83/01/43/1117830143.db2.gz GNSUMTYSJDWQQL-CYBMUJFWSA-N 0 3 288.366 3.684 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075100 1117963013 /nfs/dbraw/zinc/96/30/13/1117963013.db2.gz WNDKJASAJUSGRJ-QGZVFWFLSA-N 0 3 253.345 3.633 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC2CCC(F)CC2)c([O-])c1 ZINC000842928299 1118170331 /nfs/dbraw/zinc/17/03/31/1118170331.db2.gz JBDYRZAJMPYNOG-IYXRBSQSSA-N 0 3 265.372 3.880 20 10 CHCDHN c1cc2c(o1)CCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921527876 1118171537 /nfs/dbraw/zinc/17/15/37/1118171537.db2.gz PIRKSYIWXLBBHH-INIZCTEOSA-N 0 3 283.371 3.772 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)COC2 ZINC000765607977 1118181441 /nfs/dbraw/zinc/18/14/41/1118181441.db2.gz GCUHAFMTKLMDKN-CYBMUJFWSA-N 0 3 295.382 3.503 20 10 CHCDHN COc1ccc([C@H](C)NCc2ccc3c(c2)CCCO3)cc1 ZINC000921621183 1118226550 /nfs/dbraw/zinc/22/65/50/1118226550.db2.gz LQPJTDLTMJZUBA-AWEZNQCLSA-N 0 3 297.398 3.871 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1[O-] ZINC000179888138 1128765063 /nfs/dbraw/zinc/76/50/63/1128765063.db2.gz NCXNSMFIFJVPPC-NSHDSACASA-N 0 3 293.313 3.844 20 10 CHCDHN C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccccc1[O-] ZINC000693335944 1118545223 /nfs/dbraw/zinc/54/52/23/1118545223.db2.gz REZYZKCLZQGZSX-LLVKDONJSA-N 0 3 269.335 3.868 20 10 CHCDHN CC(C)(C)CC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000083396566 1118728878 /nfs/dbraw/zinc/72/88/78/1118728878.db2.gz NYRJUNDBAKFAAT-UHFFFAOYSA-N 0 3 253.361 3.836 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000180545551 1128798204 /nfs/dbraw/zinc/79/82/04/1128798204.db2.gz HFCBBRDQKBTIPW-UHFFFAOYSA-N 0 3 271.335 3.700 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000723990992 1118797576 /nfs/dbraw/zinc/79/75/76/1118797576.db2.gz YGNUPKRMNGBRLX-KBMXLJTQSA-N 0 3 277.408 3.638 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)C1=CCCC1 ZINC000835061050 1118837765 /nfs/dbraw/zinc/83/77/65/1118837765.db2.gz WHIQFKFWDJFVJX-UHFFFAOYSA-N 0 3 275.392 3.627 20 10 CHCDHN CCOCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176673068 1119092199 /nfs/dbraw/zinc/09/21/99/1119092199.db2.gz CNGKRBQFXIGULQ-INIZCTEOSA-N 0 3 299.414 3.992 20 10 CHCDHN CCOCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176673068 1119092200 /nfs/dbraw/zinc/09/22/00/1119092200.db2.gz CNGKRBQFXIGULQ-INIZCTEOSA-N 0 3 299.414 3.992 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000226561826 1119157338 /nfs/dbraw/zinc/15/73/38/1119157338.db2.gz AWPDXFIRAFBXBC-WFASDCNBSA-N 0 3 263.356 3.686 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000226561826 1119157340 /nfs/dbraw/zinc/15/73/40/1119157340.db2.gz AWPDXFIRAFBXBC-WFASDCNBSA-N 0 3 263.356 3.686 20 10 CHCDHN CC[C@H](NCc1cnc(C)s1)c1ccc(N(C)C)cc1 ZINC000123704354 1119301546 /nfs/dbraw/zinc/30/15/46/1119301546.db2.gz RDTNNYAZHQVDCR-INIZCTEOSA-N 0 3 289.448 3.758 20 10 CHCDHN CC[C@@H]([NH2+]CCCC(F)(F)F)c1ccccc1[O-] ZINC000148647749 1119375664 /nfs/dbraw/zinc/37/56/64/1119375664.db2.gz OVANGZRELOZRBI-LLVKDONJSA-N 0 3 261.287 3.775 20 10 CHCDHN CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1[O-] ZINC000168247397 1119427317 /nfs/dbraw/zinc/42/73/17/1119427317.db2.gz IFLUVVTVPFGWLX-RDBSUJKOSA-N 0 3 277.408 3.657 20 10 CHCDHN CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c1[O-] ZINC000168247397 1119427321 /nfs/dbraw/zinc/42/73/21/1119427321.db2.gz IFLUVVTVPFGWLX-RDBSUJKOSA-N 0 3 277.408 3.657 20 10 CHCDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1Cl ZINC000179402292 1119734790 /nfs/dbraw/zinc/73/47/90/1119734790.db2.gz BCWFLPIVFXXQJN-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1Cl ZINC000179402292 1119734792 /nfs/dbraw/zinc/73/47/92/1119734792.db2.gz BCWFLPIVFXXQJN-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000179563424 1119751650 /nfs/dbraw/zinc/75/16/50/1119751650.db2.gz VKKFIFBCWWCKAQ-UHFFFAOYSA-N 0 3 297.398 3.683 20 10 CHCDHN Cc1cccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC001203558568 1120036101 /nfs/dbraw/zinc/03/61/01/1120036101.db2.gz NBZSWFIMLIFKMI-UHFFFAOYSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cc(F)ccc2F)c(O)c1 ZINC000107929041 1120062661 /nfs/dbraw/zinc/06/26/61/1120062661.db2.gz SHFNFUSABBXYFE-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000695125322 1120110589 /nfs/dbraw/zinc/11/05/89/1120110589.db2.gz ICGFJGDPFLDWGR-NWDGAFQWSA-N 0 3 269.335 3.929 20 10 CHCDHN CO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CCCCC1 ZINC000695159890 1120128507 /nfs/dbraw/zinc/12/85/07/1120128507.db2.gz HHEXYGLCFPWORI-SUMWQHHRSA-N 0 3 277.408 3.638 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000186499967 1120241213 /nfs/dbraw/zinc/24/12/13/1120241213.db2.gz VRFHLJFEDKDPGI-WFASDCNBSA-N 0 3 277.408 3.697 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([O-])c1 ZINC000186499936 1120241231 /nfs/dbraw/zinc/24/12/31/1120241231.db2.gz VRFHLJFEDKDPGI-SWLSCSKDSA-N 0 3 277.408 3.697 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)CC(C)(C)C)c1[O-] ZINC000312089824 1120293053 /nfs/dbraw/zinc/29/30/53/1120293053.db2.gz YRUYFDSSWQQQCY-UHFFFAOYSA-N 0 3 265.397 3.659 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)CC(C)(C)C)c1[O-] ZINC000312089824 1120293058 /nfs/dbraw/zinc/29/30/58/1120293058.db2.gz YRUYFDSSWQQQCY-UHFFFAOYSA-N 0 3 265.397 3.659 20 10 CHCDHN CCc1cnccc1[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921964079 1120308475 /nfs/dbraw/zinc/30/84/75/1120308475.db2.gz NQMRJUUHUDXLGF-AWEZNQCLSA-N 0 3 296.414 3.820 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCOC2CCCC2)c2c1c(F)ccc2[O-] ZINC000756491566 1120381176 /nfs/dbraw/zinc/38/11/76/1120381176.db2.gz VXBSYPOTCMNUQN-BXUZGUMPSA-N 0 3 293.382 3.628 20 10 CHCDHN C[C@H]([NH2+]CCc1ccc(F)cc1F)c1cc(F)ccc1[O-] ZINC000756578867 1120551927 /nfs/dbraw/zinc/55/19/27/1120551927.db2.gz XHSFXGNGQJXJQO-JTQLQIEISA-N 0 3 295.304 3.703 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1cc(F)ccc1OC ZINC000922620742 1120564890 /nfs/dbraw/zinc/56/48/90/1120564890.db2.gz XJTVYANGHNGUBR-HNNXBMFYSA-N 0 3 289.350 3.781 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168737648 1120633205 /nfs/dbraw/zinc/63/32/05/1120633205.db2.gz BQTATGUSJNYJBY-CQSZACIVSA-N 0 3 299.801 3.571 20 10 CHCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168737648 1120633207 /nfs/dbraw/zinc/63/32/07/1120633207.db2.gz BQTATGUSJNYJBY-CQSZACIVSA-N 0 3 299.801 3.571 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CSc2ccccc21 ZINC000766030567 1120673819 /nfs/dbraw/zinc/67/38/19/1120673819.db2.gz UGBAPTMOVSMVDA-KRWDZBQOSA-N 0 3 298.455 3.998 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2c1c(F)ccc2[O-] ZINC000756771225 1120821636 /nfs/dbraw/zinc/82/16/36/1120821636.db2.gz SQHLXDNLAJETPX-NQBHXWOUSA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@H]([NH2+]Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000094616717 1121086461 /nfs/dbraw/zinc/08/64/61/1121086461.db2.gz MVWAJYILTUIJON-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN C[C@@H]([NH2+]CC1CC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000701945122 1121174145 /nfs/dbraw/zinc/17/41/45/1121174145.db2.gz OROLRWBMCDSMAL-SNVBAGLBSA-N 0 3 251.345 3.618 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccccc1[O-] ZINC000704777410 1121367749 /nfs/dbraw/zinc/36/77/49/1121367749.db2.gz TZKPJKZLLYEKMG-GXTWGEPZSA-N 0 3 265.422 3.576 20 10 CHCDHN CCC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])OCC ZINC000705319225 1121396273 /nfs/dbraw/zinc/39/62/73/1121396273.db2.gz XMMMDEOIACUOOH-UONOGXRCSA-N 0 3 265.397 3.556 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCC13CC3)CC2 ZINC000707057386 1121448498 /nfs/dbraw/zinc/44/84/98/1121448498.db2.gz KCNFUJJVFZPTNR-KBPBESRZSA-N 0 3 257.377 3.549 20 10 CHCDHN Cc1n[nH]c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1C ZINC000894016572 1121455795 /nfs/dbraw/zinc/45/57/95/1121455795.db2.gz GFSRCBXBKIPQOT-UHFFFAOYSA-N 0 3 299.418 3.677 20 10 CHCDHN Cc1n[nH]c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1C ZINC000894016572 1121455799 /nfs/dbraw/zinc/45/57/99/1121455799.db2.gz GFSRCBXBKIPQOT-UHFFFAOYSA-N 0 3 299.418 3.677 20 10 CHCDHN CN(C)c1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1 ZINC000923023793 1121514122 /nfs/dbraw/zinc/51/41/22/1121514122.db2.gz BKGSTNKWULLYCG-IBGZPJMESA-N 0 3 296.414 3.540 20 10 CHCDHN C[N@H+](C/C=C\c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000254970737 1121690784 /nfs/dbraw/zinc/69/07/84/1121690784.db2.gz RQHNJRRRPVVDAT-PLNGDYQASA-N 0 3 271.335 3.677 20 10 CHCDHN C[N@@H+](C/C=C\c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000254970737 1121690788 /nfs/dbraw/zinc/69/07/88/1121690788.db2.gz RQHNJRRRPVVDAT-PLNGDYQASA-N 0 3 271.335 3.677 20 10 CHCDHN CCN(C)c1ccc(CN(C)[C@H](C)c2ccccn2)cc1 ZINC000773802876 1121856184 /nfs/dbraw/zinc/85/61/84/1121856184.db2.gz AGKHQMDBXJMFFM-OAHLLOKOSA-N 0 3 283.419 3.731 20 10 CHCDHN CC(C)[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000732818174 1121939049 /nfs/dbraw/zinc/93/90/49/1121939049.db2.gz ZKVXUEDWBTXQTM-IBGZPJMESA-N 0 3 299.414 3.556 20 10 CHCDHN C[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC000733328291 1121977784 /nfs/dbraw/zinc/97/77/84/1121977784.db2.gz SSFIYIFNYKBKJS-IBGZPJMESA-N 0 3 297.398 3.575 20 10 CHCDHN CN(C)c1ccc(CNC2(c3ccccc3)CC2)cc1F ZINC000733328104 1121978165 /nfs/dbraw/zinc/97/81/65/1121978165.db2.gz NTGCZRXXMVYKQH-UHFFFAOYSA-N 0 3 284.378 3.671 20 10 CHCDHN CCN(Cc1cc(C)co1)Cc1ccc(N(C)C)cc1 ZINC001180480226 1121989723 /nfs/dbraw/zinc/98/97/23/1121989723.db2.gz WYLZDOBJEHJBAO-UHFFFAOYSA-N 0 3 272.392 3.676 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(C)(C3CC3)CC2)c([O-])c1 ZINC001182125485 1122111819 /nfs/dbraw/zinc/11/18/19/1122111819.db2.gz AOSCGJOJMVODTH-UHFFFAOYSA-N 0 3 259.393 3.713 20 10 CHCDHN COc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c([O-])c1 ZINC000162717585 1122203676 /nfs/dbraw/zinc/20/36/76/1122203676.db2.gz PEOHLFCCAJHLAM-AWEZNQCLSA-N 0 3 289.400 3.799 20 10 CHCDHN COc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)c([O-])c1 ZINC000162717585 1122203680 /nfs/dbraw/zinc/20/36/80/1122203680.db2.gz PEOHLFCCAJHLAM-AWEZNQCLSA-N 0 3 289.400 3.799 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1ccccc1O ZINC000272843623 1122213888 /nfs/dbraw/zinc/21/38/88/1122213888.db2.gz JYLAUQQHVUISEG-BBRMVZONSA-N 0 3 283.371 3.793 20 10 CHCDHN Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272843623 1122213891 /nfs/dbraw/zinc/21/38/91/1122213891.db2.gz JYLAUQQHVUISEG-BBRMVZONSA-N 0 3 283.371 3.793 20 10 CHCDHN COCC[C@@H](N[C@@H](C)c1ccc(C)cc1O)c1ccco1 ZINC000273431088 1122232537 /nfs/dbraw/zinc/23/25/37/1122232537.db2.gz LCGWRLHBSMHXTF-DZGCQCFKSA-N 0 3 289.375 3.722 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000273503336 1122236037 /nfs/dbraw/zinc/23/60/37/1122236037.db2.gz QMXILWBGWYPVMH-GRDNDAEWSA-N 0 3 291.435 3.945 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cc(F)ccc1[O-] ZINC000273530926 1122237161 /nfs/dbraw/zinc/23/71/61/1122237161.db2.gz WHUCKDVBJGVNDK-GHJWDPDVSA-N 0 3 295.398 3.776 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccccc1[O-] ZINC000192907375 1129046253 /nfs/dbraw/zinc/04/62/53/1129046253.db2.gz XQMRTVSJKPDIMO-ROUUACIJSA-N 0 3 298.430 3.736 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2)N(C)C)c([O-])c1 ZINC000192907576 1129046734 /nfs/dbraw/zinc/04/67/34/1129046734.db2.gz UIRNPGWWSRBRFJ-MAUKXSAKSA-N 0 3 298.430 3.654 20 10 CHCDHN C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1[O-] ZINC000183383210 1129049007 /nfs/dbraw/zinc/04/90/07/1129049007.db2.gz XJEYXFVJASFHLL-LBPRGKRZSA-N 0 3 275.779 3.939 20 10 CHCDHN C[C@H]([NH2+]CCOc1ccccc1Cl)c1ccccc1[O-] ZINC000775135078 1122437615 /nfs/dbraw/zinc/43/76/15/1122437615.db2.gz CWDAZWLZDGGYDQ-LBPRGKRZSA-N 0 3 291.778 3.775 20 10 CHCDHN Cc1ccc(OCCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183478578 1129057708 /nfs/dbraw/zinc/05/77/08/1129057708.db2.gz XYKLMEGFXFKNIO-OAHLLOKOSA-N 0 3 285.387 3.820 20 10 CHCDHN CC(C)c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000775325262 1122516881 /nfs/dbraw/zinc/51/68/81/1122516881.db2.gz BVNOJMROZJRBEV-UHFFFAOYSA-N 0 3 255.361 3.805 20 10 CHCDHN Cc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183534527 1129061176 /nfs/dbraw/zinc/06/11/76/1129061176.db2.gz PQYHTDDFJCKIMF-HUUCEWRRSA-N 0 3 285.387 3.819 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)ccc1OC)c1ccccc1[O-] ZINC000775413774 1122556556 /nfs/dbraw/zinc/55/65/56/1122556556.db2.gz AWYKSJSIBJQHHA-INIZCTEOSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccccc1[O-] ZINC000775487493 1122618233 /nfs/dbraw/zinc/61/82/33/1122618233.db2.gz CHYMYUQCQRVMGS-YOEHRIQHSA-N 0 3 297.398 3.684 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1ccccc1[O-] ZINC000775508735 1122629670 /nfs/dbraw/zinc/62/96/70/1122629670.db2.gz WSAUITUDUMSDJS-DOTOQJQBSA-N 0 3 297.402 3.609 20 10 CHCDHN CC[C@@H]([NH2+][C@H](COC)Cc1ccccc1)c1ccccc1[O-] ZINC000775514083 1122634288 /nfs/dbraw/zinc/63/42/88/1122634288.db2.gz VOWLLTHNEYUTBV-FUHWJXTLSA-N 0 3 299.414 3.691 20 10 CHCDHN C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183645431 1129075815 /nfs/dbraw/zinc/07/58/15/1129075815.db2.gz XSSFRKFGOUIHHY-CVEARBPZSA-N 0 3 298.430 3.563 20 10 CHCDHN CCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000775652205 1122866067 /nfs/dbraw/zinc/86/60/67/1122866067.db2.gz IBSZFFHLWMDDBG-UHFFFAOYSA-N 0 3 253.773 3.728 20 10 CHCDHN CCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000775652205 1122866073 /nfs/dbraw/zinc/86/60/73/1122866073.db2.gz IBSZFFHLWMDDBG-UHFFFAOYSA-N 0 3 253.773 3.728 20 10 CHCDHN CCC[C@H](C)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000775642081 1122850345 /nfs/dbraw/zinc/85/03/45/1122850345.db2.gz AIWCGKFZDZKXTQ-DOTOQJQBSA-N 0 3 291.435 3.809 20 10 CHCDHN CCC[C@H](C)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000775642081 1122850350 /nfs/dbraw/zinc/85/03/50/1122850350.db2.gz AIWCGKFZDZKXTQ-DOTOQJQBSA-N 0 3 291.435 3.809 20 10 CHCDHN Cc1cccc(CN2CCc3cccc(F)c3[C@@H]2C)c1O ZINC000775700264 1122911730 /nfs/dbraw/zinc/91/17/30/1122911730.db2.gz LYDOXGQIHSVYJJ-ZDUSSCGKSA-N 0 3 285.362 3.959 20 10 CHCDHN CCC(CC)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169084928 1123158289 /nfs/dbraw/zinc/15/82/89/1123158289.db2.gz SGMLOZJVCATVFO-UHFFFAOYSA-N 0 3 271.788 3.580 20 10 CHCDHN CC(C)[NH+](CCCNCc1c([O-])cccc1Cl)C(C)C ZINC000776233042 1123172207 /nfs/dbraw/zinc/17/22/07/1123172207.db2.gz XSNUQUFJVOJIAU-UHFFFAOYSA-N 0 3 298.858 3.644 20 10 CHCDHN COc1ccc(CN[C@@H](C)c2cc3cnccc3o2)cc1C ZINC000850430835 1123266123 /nfs/dbraw/zinc/26/61/23/1123266123.db2.gz VFEDPZPSJACJSC-ZDUSSCGKSA-N 0 3 296.370 3.996 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2noc3ccccc23)c([O-])c1 ZINC000850483689 1123274514 /nfs/dbraw/zinc/27/45/14/1123274514.db2.gz QYOFOSOHTGUBRZ-ZDUSSCGKSA-N 0 3 296.370 3.735 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C=CCC2)c1[O-] ZINC000850506963 1123277102 /nfs/dbraw/zinc/27/71/02/1123277102.db2.gz HCBSXVSUEPAWLJ-CMPLNLGQSA-N 0 3 251.757 3.723 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C=CCC2)c1[O-] ZINC000850510676 1123278350 /nfs/dbraw/zinc/27/83/50/1123278350.db2.gz WEXZPLARJXEVSE-JQWIXIFHSA-N 0 3 296.208 3.832 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccoc1)c1ccc(C)cc1[O-] ZINC000850532591 1123285755 /nfs/dbraw/zinc/28/57/55/1123285755.db2.gz WFPYLBFMPFZWAM-OAHLLOKOSA-N 0 3 259.349 3.577 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)c([O-])c1 ZINC000850543311 1123289185 /nfs/dbraw/zinc/28/91/85/1123289185.db2.gz HPEUNDOTHRSVMN-YVEFUNNKSA-N 0 3 283.371 3.744 20 10 CHCDHN CCSC1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000850552339 1123289883 /nfs/dbraw/zinc/28/98/83/1123289883.db2.gz MLZORWOVNDGKNC-JQWIXIFHSA-N 0 3 295.423 3.955 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CCC(F)CC1 ZINC000850555774 1123291171 /nfs/dbraw/zinc/29/11/71/1123291171.db2.gz QDERRIUOCIIBSI-DGLGBPBLSA-N 0 3 277.383 3.886 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCCc2ccco2)c2c1c(F)ccc2[O-] ZINC000850570551 1123294267 /nfs/dbraw/zinc/29/42/67/1123294267.db2.gz WDXUNHXUMDJPEC-BXUZGUMPSA-N 0 3 289.350 3.895 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)c1[O-] ZINC000850570413 1123294579 /nfs/dbraw/zinc/29/45/79/1123294579.db2.gz GYLIRWZCUDAAAC-VXGBXAGGSA-N 0 3 297.826 3.820 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(F)cc1 ZINC000020095481 1123358424 /nfs/dbraw/zinc/35/84/24/1123358424.db2.gz JREMCYIQAYFKEH-RYUDHWBXSA-N 0 3 259.324 3.943 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccco1)CC1CC=CC1 ZINC000851841694 1123385039 /nfs/dbraw/zinc/38/50/39/1123385039.db2.gz WPZJYOMGEGJYEB-UHFFFAOYSA-N 0 3 283.371 3.954 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccco1)CC1CC=CC1 ZINC000851841694 1123385041 /nfs/dbraw/zinc/38/50/41/1123385041.db2.gz WPZJYOMGEGJYEB-UHFFFAOYSA-N 0 3 283.371 3.954 20 10 CHCDHN CCCC[N@H+](Cc1cccc(F)n1)Cc1ccccc1[O-] ZINC000852018474 1123393019 /nfs/dbraw/zinc/39/30/19/1123393019.db2.gz NITVSGANSYFURF-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN CCCC[N@@H+](Cc1cccc(F)n1)Cc1ccccc1[O-] ZINC000852018474 1123393025 /nfs/dbraw/zinc/39/30/25/1123393025.db2.gz NITVSGANSYFURF-UHFFFAOYSA-N 0 3 288.366 3.729 20 10 CHCDHN CCCCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783509871 1123400989 /nfs/dbraw/zinc/40/09/89/1123400989.db2.gz VHMLXFCEYFXTER-CVEARBPZSA-N 0 3 290.451 3.697 20 10 CHCDHN CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000783511466 1123407519 /nfs/dbraw/zinc/40/75/19/1123407519.db2.gz ZPCQXKSGOXYMSD-CHWSQXEVSA-N 0 3 273.380 3.581 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1F ZINC000110738509 1123410536 /nfs/dbraw/zinc/41/05/36/1123410536.db2.gz VNFMOHDGPOQECG-UHFFFAOYSA-N 0 3 273.351 3.944 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1F ZINC000110738509 1123410539 /nfs/dbraw/zinc/41/05/39/1123410539.db2.gz VNFMOHDGPOQECG-UHFFFAOYSA-N 0 3 273.351 3.944 20 10 CHCDHN CC1(C)C[C@]1([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000853091739 1123423904 /nfs/dbraw/zinc/42/39/04/1123423904.db2.gz OYSXGDBHXNRZDW-SFHVURJKSA-N 0 3 267.372 3.807 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc2c1NCCC2)c1ccccc1[O-] ZINC000895459778 1123482130 /nfs/dbraw/zinc/48/21/30/1123482130.db2.gz IJDCXNHUAADCFK-ZDUSSCGKSA-N 0 3 282.387 3.601 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1COc2ccccc2C1 ZINC000895851041 1123521549 /nfs/dbraw/zinc/52/15/49/1123521549.db2.gz IIJUPZQVTPKIFR-IJEWVQPXSA-N 0 3 297.398 3.683 20 10 CHCDHN COc1ccc(F)c(CN[C@@H](C)c2cc(F)ccc2O)c1 ZINC000857082529 1123585605 /nfs/dbraw/zinc/58/56/05/1123585605.db2.gz WXHWCBYUUCREJM-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1C ZINC000896802860 1123628672 /nfs/dbraw/zinc/62/86/72/1123628672.db2.gz DTTYTZVDEREWJN-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN COc1ccc(CNCc2cc(C)ccc2O)c(Cl)c1 ZINC000858237373 1123639108 /nfs/dbraw/zinc/63/91/08/1123639108.db2.gz LELZOJSIYIWELU-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN CCC(F)(F)C(C)(C)C[NH2+]Cc1c([O-])cccc1OC ZINC000858271008 1123641695 /nfs/dbraw/zinc/64/16/95/1123641695.db2.gz SZTGVFMYNITJKG-UHFFFAOYSA-N 0 3 287.350 3.562 20 10 CHCDHN C[N@H+](Cc1ccc(C(F)F)cc1)Cc1ccccc1[O-] ZINC000183967518 1129137330 /nfs/dbraw/zinc/13/73/30/1129137330.db2.gz WTMSWSLAGAHZBA-UHFFFAOYSA-N 0 3 277.314 3.962 20 10 CHCDHN C[N@@H+](Cc1ccc(C(F)F)cc1)Cc1ccccc1[O-] ZINC000183967518 1129137332 /nfs/dbraw/zinc/13/73/32/1129137332.db2.gz WTMSWSLAGAHZBA-UHFFFAOYSA-N 0 3 277.314 3.962 20 10 CHCDHN CC[C@@H](NCc1cc(O)ccc1Cl)c1ccccc1O ZINC000859233313 1123691879 /nfs/dbraw/zinc/69/18/79/1123691879.db2.gz QZQHVWRWNJSFPQ-OAHLLOKOSA-N 0 3 291.778 3.992 20 10 CHCDHN Cc1ccc(O)c(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000862475924 1123812449 /nfs/dbraw/zinc/81/24/49/1123812449.db2.gz BWLMHBAVQRNESM-UHFFFAOYSA-N 0 3 291.778 3.658 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c1[O-] ZINC000840859819 1123861340 /nfs/dbraw/zinc/86/13/40/1123861340.db2.gz MXXMYTYNWCHTLQ-JBLDHEPKSA-N 0 3 285.840 3.899 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000840872991 1123870701 /nfs/dbraw/zinc/87/07/01/1123870701.db2.gz OTNKXXFAVLSNPF-CYDGBPFRSA-N 0 3 297.826 3.818 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794802504 1123950338 /nfs/dbraw/zinc/95/03/38/1123950338.db2.gz FVTYRDCTIWFCSQ-NVXWUHKLSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(C)cc1[O-] ZINC000794798641 1123950343 /nfs/dbraw/zinc/95/03/43/1123950343.db2.gz XNKVGSIDHHKRGE-RDJZCZTQSA-N 0 3 290.451 3.616 20 10 CHCDHN CC[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(C)cc1[O-] ZINC000794801043 1123950498 /nfs/dbraw/zinc/95/04/98/1123950498.db2.gz HSSLBUVGKDMPFZ-MRXNPFEDSA-N 0 3 291.435 3.827 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(C)cc1[O-] ZINC000794803387 1123953152 /nfs/dbraw/zinc/95/31/52/1123953152.db2.gz ISFWJQQZUHGAIK-QGZVFWFLSA-N 0 3 297.398 3.876 20 10 CHCDHN CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794803674 1123954073 /nfs/dbraw/zinc/95/40/73/1123954073.db2.gz ROHLLAQICFWWSD-LZWOXQAQSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@@H]([NH2+]CCNc1ccccc1)c1ccc(C)cc1[O-] ZINC000794808346 1123954659 /nfs/dbraw/zinc/95/46/59/1123954659.db2.gz ADUOYLZAWURUMX-QGZVFWFLSA-N 0 3 284.403 3.853 20 10 CHCDHN CC[C@H]([NH2+]CCCNc1ccccn1)c1ccc(C)cc1[O-] ZINC000794810182 1123955801 /nfs/dbraw/zinc/95/58/01/1123955801.db2.gz JSGCBKHVLYGQKX-INIZCTEOSA-N 0 3 299.418 3.639 20 10 CHCDHN CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794814333 1123957192 /nfs/dbraw/zinc/95/71/92/1123957192.db2.gz CYMNHXYNXDRQSJ-IOASZLSFSA-N 0 3 277.408 3.697 20 10 CHCDHN CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794809112 1123957543 /nfs/dbraw/zinc/95/75/43/1123957543.db2.gz QJILAAXDZXXUAD-NVXWUHKLSA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+]Cc1cncc(C)c1)c1ccc(C)cc1[O-] ZINC000794815303 1123957968 /nfs/dbraw/zinc/95/79/68/1123957968.db2.gz JUIVHCWKSQSWII-INIZCTEOSA-N 0 3 270.376 3.645 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794811920 1123959461 /nfs/dbraw/zinc/95/94/61/1123959461.db2.gz UTNHRGDYIKGPQR-DZKIICNBSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794818328 1123959726 /nfs/dbraw/zinc/95/97/26/1123959726.db2.gz RVUKBZYAEOYGAK-DZGCQCFKSA-N 0 3 279.424 3.538 20 10 CHCDHN COC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCC(C)CC1 ZINC000794834342 1123970670 /nfs/dbraw/zinc/97/06/70/1123970670.db2.gz MWWIAJBZMQMCAL-NSWWBONSSA-N 0 3 291.435 3.947 20 10 CHCDHN Cc1cc(O)c(CN(C)Cc2cc(Cl)cn2C)cc1C ZINC000121003193 1124053371 /nfs/dbraw/zinc/05/33/71/1124053371.db2.gz NMJNEDUUSCSSTN-UHFFFAOYSA-N 0 3 292.810 3.633 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCSC2)c2c1c(F)ccc2[O-] ZINC000866402377 1124063156 /nfs/dbraw/zinc/06/31/56/1124063156.db2.gz JQWUGAGBTGJQLZ-MDZLAQPJSA-N 0 3 295.423 3.812 20 10 CHCDHN CC[C@H](NCc1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000866479619 1124070684 /nfs/dbraw/zinc/07/06/84/1124070684.db2.gz XQWPYSYEIQOVCN-KRWDZBQOSA-N 0 3 272.392 3.895 20 10 CHCDHN C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000866491473 1124072980 /nfs/dbraw/zinc/07/29/80/1124072980.db2.gz RWQGTOCNMZXTJZ-JECHBYEQSA-N 0 3 293.382 3.530 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(C)cc1[O-] ZINC000866501263 1124073714 /nfs/dbraw/zinc/07/37/14/1124073714.db2.gz ZXIWPSHZNFOGFS-GRYCIOLGSA-N 0 3 273.298 3.692 20 10 CHCDHN CC[C@@H]([NH2+]CCC(C)(C)OC)c1ccc(C)cc1[O-] ZINC000866505541 1124074113 /nfs/dbraw/zinc/07/41/13/1124074113.db2.gz OBLKAQWOEPNSGE-CQSZACIVSA-N 0 3 265.397 3.556 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c([O-])c1 ZINC000866513010 1124075887 /nfs/dbraw/zinc/07/58/87/1124075887.db2.gz RADDFZCHHPJQLN-JOQOYGCGSA-N 0 3 289.419 3.556 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccccc1[O-] ZINC000866528947 1124078256 /nfs/dbraw/zinc/07/82/56/1124078256.db2.gz KVBGSSJPSRJZDH-GDBMZVCRSA-N 0 3 289.419 3.640 20 10 CHCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCn3nccc32)cc1 ZINC000866633495 1124092399 /nfs/dbraw/zinc/09/23/99/1124092399.db2.gz WCIBVSLPOCIBLJ-WMLDXEAASA-N 0 3 298.434 3.525 20 10 CHCDHN C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccccc1[O-] ZINC001119247958 1131247984 /nfs/dbraw/zinc/24/79/84/1131247984.db2.gz BDKMFWXDTMAMHI-TUBUQKNSSA-N 0 3 275.392 3.535 20 10 CHCDHN C[C@@H](NCc1ccccc1O)c1cccc(F)c1F ZINC000121930189 1124450642 /nfs/dbraw/zinc/45/06/42/1124450642.db2.gz JQIPBZBZWYQULN-SNVBAGLBSA-N 0 3 263.287 3.521 20 10 CHCDHN C[C@H]([NH2+]CCCN(C)c1ccccc1)c1ccccc1[O-] ZINC000019906528 1124768297 /nfs/dbraw/zinc/76/82/97/1124768297.db2.gz ANAOUOZTLLFAPH-HNNXBMFYSA-N 0 3 284.403 3.569 20 10 CHCDHN CC[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccccc1[O-] ZINC000021040213 1124893530 /nfs/dbraw/zinc/89/35/30/1124893530.db2.gz QNMFERXWYYCNCG-INIZCTEOSA-N 0 3 290.451 3.697 20 10 CHCDHN Cc1ccc(CN[C@@H]2COc3c2ccc(C)c3C)c(O)c1 ZINC000876876777 1124987089 /nfs/dbraw/zinc/98/70/89/1124987089.db2.gz UQCCKGXOSDHGBP-MRXNPFEDSA-N 0 3 283.371 3.541 20 10 CHCDHN CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876908088 1124989796 /nfs/dbraw/zinc/98/97/96/1124989796.db2.gz ZGAJFDIGPMTPPP-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876988321 1124995130 /nfs/dbraw/zinc/99/51/30/1124995130.db2.gz BUKPFBCNDVMXTD-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN CC[C@](C)(NCc1ccc(C)cc1O)c1nc(C)cs1 ZINC000877045485 1125001374 /nfs/dbraw/zinc/00/13/74/1125001374.db2.gz XBHLWAHENHFZGB-INIZCTEOSA-N 0 3 290.432 3.881 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000877038842 1125001798 /nfs/dbraw/zinc/00/17/98/1125001798.db2.gz ZGROBPVXOFXJOQ-WMLDXEAASA-N 0 3 291.435 3.632 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCCc3sccc32)c([O-])c1 ZINC000877388180 1125026746 /nfs/dbraw/zinc/02/67/46/1125026746.db2.gz XAKHVXDOAADHSE-CQSZACIVSA-N 0 3 273.401 3.929 20 10 CHCDHN CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CS1 ZINC000877755648 1125072007 /nfs/dbraw/zinc/07/20/07/1125072007.db2.gz JRPUOBGIXFNZLH-LALPHHSUSA-N 0 3 265.422 3.573 20 10 CHCDHN C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccccc1[O-] ZINC000877756505 1125072112 /nfs/dbraw/zinc/07/21/12/1125072112.db2.gz NTHLNUSEAJRALV-LLVKDONJSA-N 0 3 290.432 3.997 20 10 CHCDHN CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])CS1 ZINC000877755649 1125072169 /nfs/dbraw/zinc/07/21/69/1125072169.db2.gz JRPUOBGIXFNZLH-TYNCELHUSA-N 0 3 265.422 3.573 20 10 CHCDHN CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758246 1125073826 /nfs/dbraw/zinc/07/38/26/1125073826.db2.gz PBHIDNUGCHXHRW-SUNYJGFJSA-N 0 3 285.387 3.819 20 10 CHCDHN C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccccc1[O-] ZINC000877757205 1125074120 /nfs/dbraw/zinc/07/41/20/1125074120.db2.gz NTHLNUSEAJRALV-NSHDSACASA-N 0 3 290.432 3.997 20 10 CHCDHN C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757141 1125074728 /nfs/dbraw/zinc/07/47/28/1125074728.db2.gz IUYDFVRXPOUCER-ZJUUUORDSA-N 0 3 261.287 3.774 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cnc1Cl ZINC000877757181 1125075286 /nfs/dbraw/zinc/07/52/86/1125075286.db2.gz LWRXEIFXVRVBAI-NSHDSACASA-N 0 3 276.767 3.600 20 10 CHCDHN COc1cncc(/C=C\CC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000879648914 1125222258 /nfs/dbraw/zinc/22/22/58/1125222258.db2.gz GBZMMWAWEBULFB-BRLPQQTGSA-N 0 3 298.386 3.550 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1OC1CC1)c1ccccc1[O-] ZINC000879648888 1125222765 /nfs/dbraw/zinc/22/27/65/1125222765.db2.gz FDZZRRFTQJOJQF-CYBMUJFWSA-N 0 3 283.371 3.784 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC2(C)CCCC2)c1[O-] ZINC000228673996 1125250704 /nfs/dbraw/zinc/25/07/04/1125250704.db2.gz SAOVJVLWPHWGFU-UHFFFAOYSA-N 0 3 283.799 3.724 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c1[O-] ZINC000211444472 1125306734 /nfs/dbraw/zinc/30/67/34/1125306734.db2.gz DWCIERARVWVHHH-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1[O-] ZINC000211444472 1125306738 /nfs/dbraw/zinc/30/67/38/1125306738.db2.gz DWCIERARVWVHHH-CQSZACIVSA-N 0 3 277.408 3.659 20 10 CHCDHN COc1ccc(C2CC2)cc1C[NH2+]Cc1ccccc1[O-] ZINC000883258692 1125386708 /nfs/dbraw/zinc/38/67/08/1125386708.db2.gz LKRYFZCPKIKKNW-UHFFFAOYSA-N 0 3 283.371 3.568 20 10 CHCDHN CCOc1ccc(C[NH2+]CC[C@@H]2CCCC2(F)F)c([O-])c1 ZINC000883265638 1125388810 /nfs/dbraw/zinc/38/88/10/1125388810.db2.gz HCFBOIVPZPNWLS-ZDUSSCGKSA-N 0 3 299.361 3.706 20 10 CHCDHN Cc1ccc(CNCc2cc(C)c(C)cc2O)c(Cl)n1 ZINC000883292547 1125392221 /nfs/dbraw/zinc/39/22/21/1125392221.db2.gz RDQJPVMYMARHIO-UHFFFAOYSA-N 0 3 290.794 3.656 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cc(O)ccc2Cl)c(O)c1 ZINC000883325657 1125397377 /nfs/dbraw/zinc/39/73/77/1125397377.db2.gz HRBSXCQRSMKKDC-NSHDSACASA-N 0 3 291.778 3.910 20 10 CHCDHN CCOc1cccc(C[NH+]2CCCCCCC2)c1[O-] ZINC000131984013 1125412701 /nfs/dbraw/zinc/41/27/01/1125412701.db2.gz OAPCTFKBAZFUCI-UHFFFAOYSA-N 0 3 263.381 3.557 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CCC2=CCCC2)c1[O-] ZINC000184710631 1129238106 /nfs/dbraw/zinc/23/81/06/1129238106.db2.gz JAAHJIMILWAYGL-UHFFFAOYSA-N 0 3 281.783 3.644 20 10 CHCDHN Cc1ncc([C@@H](C)NCc2ccc(N(C)C)cc2C)s1 ZINC000090417267 1129289448 /nfs/dbraw/zinc/28/94/48/1129289448.db2.gz UHZUWFMAPIIURQ-GFCCVEGCSA-N 0 3 289.448 3.677 20 10 CHCDHN Cc1ccc(O)c(CN[C@@H]2CSc3ccccc32)c1 ZINC000735508548 1129348553 /nfs/dbraw/zinc/34/85/53/1129348553.db2.gz DMQPZSCVQBHWGF-CQSZACIVSA-N 0 3 271.385 3.637 20 10 CHCDHN CC(C)[C@H](NCc1ccc2c(c1)CCO2)c1ccccn1 ZINC000736647624 1129378740 /nfs/dbraw/zinc/37/87/40/1129378740.db2.gz KGFMYLLAGVUGIY-SFHVURJKSA-N 0 3 282.387 3.503 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)C[C@@H]3C)c2c1 ZINC000740860578 1129420870 /nfs/dbraw/zinc/42/08/70/1129420870.db2.gz QWHCKEBXBPBETR-OLZOCXBDSA-N 0 3 285.387 3.784 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)C[C@@H]3C)c2c1 ZINC000740860578 1129420872 /nfs/dbraw/zinc/42/08/72/1129420872.db2.gz QWHCKEBXBPBETR-OLZOCXBDSA-N 0 3 285.387 3.784 20 10 CHCDHN COc1cccc(CN(C)Cc2cc3ccccc3o2)c1O ZINC000093689212 1129426958 /nfs/dbraw/zinc/42/69/58/1129426958.db2.gz WVVMZXWVTKVZIZ-UHFFFAOYSA-N 0 3 297.354 3.779 20 10 CHCDHN Cc1ccc2c(c1)CN(Cc1cc(C)cc(C)c1O)CCO2 ZINC000795710757 1129436505 /nfs/dbraw/zinc/43/65/05/1129436505.db2.gz NERMFFYAKIXDBR-UHFFFAOYSA-N 0 3 297.398 3.712 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000094618070 1129448420 /nfs/dbraw/zinc/44/84/20/1129448420.db2.gz VUKXPMSTGKLXQJ-WBMJQRKESA-N 0 3 285.362 3.739 20 10 CHCDHN Cc1cccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000094618074 1129448434 /nfs/dbraw/zinc/44/84/34/1129448434.db2.gz PGGNVBJGOFWQIX-CYBMUJFWSA-N 0 3 273.351 3.733 20 10 CHCDHN CO[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(C)C ZINC000744449083 1129577983 /nfs/dbraw/zinc/57/79/83/1129577983.db2.gz RVXKVXKJJKGDIU-IBGZPJMESA-N 0 3 299.414 3.820 20 10 CHCDHN CC[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1CCCO1 ZINC000098051745 1129642325 /nfs/dbraw/zinc/64/23/25/1129642325.db2.gz YANKRJIUYATYGF-HNNXBMFYSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1CCCO1 ZINC000098051745 1129642326 /nfs/dbraw/zinc/64/23/26/1129642326.db2.gz YANKRJIUYATYGF-HNNXBMFYSA-N 0 3 285.387 3.546 20 10 CHCDHN C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC(C)(C)C ZINC000738100333 1129665610 /nfs/dbraw/zinc/66/56/10/1129665610.db2.gz UKJDTPJIQVBMHU-UHFFFAOYSA-N 0 3 279.424 3.873 20 10 CHCDHN C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])CC(C)(C)C ZINC000738100333 1129665613 /nfs/dbraw/zinc/66/56/13/1129665613.db2.gz UKJDTPJIQVBMHU-UHFFFAOYSA-N 0 3 279.424 3.873 20 10 CHCDHN CC(C)(NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000103173161 1129718825 /nfs/dbraw/zinc/71/88/25/1129718825.db2.gz FOAITIBNDLGDAG-UHFFFAOYSA-N 0 3 285.362 3.786 20 10 CHCDHN COc1ccc(Cl)cc1CNCc1cc(C)ccc1O ZINC000113329643 1129836585 /nfs/dbraw/zinc/83/65/85/1129836585.db2.gz DRDMQLZTAXDBIJ-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN CCC(CC)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000768160857 1129837285 /nfs/dbraw/zinc/83/72/85/1129837285.db2.gz AYPNQUSSXBHFLQ-KRWDZBQOSA-N 0 3 291.435 3.809 20 10 CHCDHN CCC(CC)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000768160857 1129837287 /nfs/dbraw/zinc/83/72/87/1129837287.db2.gz AYPNQUSSXBHFLQ-KRWDZBQOSA-N 0 3 291.435 3.809 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1[O-] ZINC000822812690 1131400872 /nfs/dbraw/zinc/40/08/72/1131400872.db2.gz KOOYSADABAENAR-NXEZZACHSA-N 0 3 274.191 3.627 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCCO1 ZINC000768249336 1129847554 /nfs/dbraw/zinc/84/75/54/1129847554.db2.gz RWIHNFJHSKQPNU-SFHVURJKSA-N 0 3 297.398 3.670 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H]1CCCO1 ZINC000768249336 1129847558 /nfs/dbraw/zinc/84/75/58/1129847558.db2.gz RWIHNFJHSKQPNU-SFHVURJKSA-N 0 3 297.398 3.670 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])[C@@H]1CCCOC1 ZINC000723991085 1129851363 /nfs/dbraw/zinc/85/13/63/1129851363.db2.gz ZANHWFQCEXIXJZ-LZWOXQAQSA-N 0 3 277.408 3.556 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000768336544 1129852901 /nfs/dbraw/zinc/85/29/01/1129852901.db2.gz VPUNUDVIQLMCEJ-UHFFFAOYSA-N 0 3 253.345 3.653 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000768336544 1129852903 /nfs/dbraw/zinc/85/29/03/1129852903.db2.gz VPUNUDVIQLMCEJ-UHFFFAOYSA-N 0 3 253.345 3.653 20 10 CHCDHN C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)CO1 ZINC000768536270 1129861087 /nfs/dbraw/zinc/86/10/87/1129861087.db2.gz GXYXNOKJJIAITC-LSDHHAIUSA-N 0 3 297.398 3.668 20 10 CHCDHN CCCOc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000768873687 1129878398 /nfs/dbraw/zinc/87/83/98/1129878398.db2.gz UKFOWCNKYDWDSG-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCCOc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000768873687 1129878403 /nfs/dbraw/zinc/87/84/03/1129878403.db2.gz UKFOWCNKYDWDSG-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN Cc1cc(Cl)nc(CN[C@@H](C)c2cc(F)ccc2O)c1 ZINC000800496820 1129880745 /nfs/dbraw/zinc/88/07/45/1129880745.db2.gz YLLYLMMWUNVFLU-JTQLQIEISA-N 0 3 294.757 3.739 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000769006778 1129888372 /nfs/dbraw/zinc/88/83/72/1129888372.db2.gz IDSCCMZXIGVNHK-HNNXBMFYSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000769006778 1129888376 /nfs/dbraw/zinc/88/83/76/1129888376.db2.gz IDSCCMZXIGVNHK-HNNXBMFYSA-N 0 3 275.392 3.555 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1OC ZINC000769201628 1129896535 /nfs/dbraw/zinc/89/65/35/1129896535.db2.gz YIIBTFZMRAUKAK-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1OC ZINC000769201628 1129896537 /nfs/dbraw/zinc/89/65/37/1129896537.db2.gz YIIBTFZMRAUKAK-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN COc1cccc(C[N@H+](CC2CC2)C2CCCCC2)c1[O-] ZINC000769309151 1129901587 /nfs/dbraw/zinc/90/15/87/1129901587.db2.gz RMIRWDYBHDEFSZ-UHFFFAOYSA-N 0 3 289.419 3.946 20 10 CHCDHN COc1cccc(C[N@@H+](CC2CC2)C2CCCCC2)c1[O-] ZINC000769309151 1129901589 /nfs/dbraw/zinc/90/15/89/1129901589.db2.gz RMIRWDYBHDEFSZ-UHFFFAOYSA-N 0 3 289.419 3.946 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c([O-])c1 ZINC000800986216 1129902670 /nfs/dbraw/zinc/90/26/70/1129902670.db2.gz CBIDWXXGRVLDHA-GDBMZVCRSA-N 0 3 297.398 3.745 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1[O-] ZINC000800987125 1129902805 /nfs/dbraw/zinc/90/28/05/1129902805.db2.gz QBNLTTZVCNTCEL-RDJZCZTQSA-N 0 3 297.398 3.827 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1[O-] ZINC000800987126 1129902981 /nfs/dbraw/zinc/90/29/81/1129902981.db2.gz QBNLTTZVCNTCEL-WBVHZDCISA-N 0 3 297.398 3.827 20 10 CHCDHN COc1cccc([O-])c1C[NH+]1CCC2(CCCC2)CC1 ZINC000769331203 1129903039 /nfs/dbraw/zinc/90/30/39/1129903039.db2.gz CZLSPUPZBCHXIT-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]2CC(C)C)c1[O-] ZINC000769483993 1129909408 /nfs/dbraw/zinc/90/94/08/1129909408.db2.gz BFEZILGBIRTLJZ-OAHLLOKOSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc(C[N@H+]2CCCC[C@@H]2CC(C)C)c1[O-] ZINC000769483993 1129909409 /nfs/dbraw/zinc/90/94/09/1129909409.db2.gz BFEZILGBIRTLJZ-OAHLLOKOSA-N 0 3 277.408 3.801 20 10 CHCDHN CCCC[N@H+](Cc1ccc(CO)cc1)Cc1ccccc1[O-] ZINC000801595528 1129930822 /nfs/dbraw/zinc/93/08/22/1129930822.db2.gz MVQPSFOKMBYXPL-UHFFFAOYSA-N 0 3 299.414 3.687 20 10 CHCDHN CCCC[N@@H+](Cc1ccc(CO)cc1)Cc1ccccc1[O-] ZINC000801595528 1129930823 /nfs/dbraw/zinc/93/08/23/1129930823.db2.gz MVQPSFOKMBYXPL-UHFFFAOYSA-N 0 3 299.414 3.687 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CC1CC(c2ccccc2)C1 ZINC000801730081 1129940570 /nfs/dbraw/zinc/94/05/70/1129940570.db2.gz DSBGHAODZQJOBM-UHFFFAOYSA-N 0 3 267.372 3.676 20 10 CHCDHN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1[O-] ZINC000770510854 1129948849 /nfs/dbraw/zinc/94/88/49/1129948849.db2.gz SIXBAWJQQHFQHH-BBRMVZONSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccccc1[O-] ZINC000770510854 1129948850 /nfs/dbraw/zinc/94/88/50/1129948850.db2.gz SIXBAWJQQHFQHH-BBRMVZONSA-N 0 3 285.362 3.909 20 10 CHCDHN CCOC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCCC1 ZINC000383718259 1130019758 /nfs/dbraw/zinc/01/97/58/1130019758.db2.gz FRDMQUOAEIFWQQ-LBPRGKRZSA-N 0 3 281.371 3.531 20 10 CHCDHN CC1=CCC[C@H](C)[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000785978261 1130070522 /nfs/dbraw/zinc/07/05/22/1130070522.db2.gz SNTRQCPGVUVARL-HOCLYGCPSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000785978261 1130070528 /nfs/dbraw/zinc/07/05/28/1130070528.db2.gz SNTRQCPGVUVARL-HOCLYGCPSA-N 0 3 259.393 3.816 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc2c(c1)CCO2 ZINC000903235238 1130134117 /nfs/dbraw/zinc/13/41/17/1130134117.db2.gz VTSOZLXUAJTAQP-WBMJQRKESA-N 0 3 295.382 3.665 20 10 CHCDHN CC[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(C)cc1[O-] ZINC000903281487 1130144863 /nfs/dbraw/zinc/14/48/63/1130144863.db2.gz HDUOXBVIZDKHGH-GEMJLEDKSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(C)cc1[O-] ZINC000903281488 1130145353 /nfs/dbraw/zinc/14/53/53/1130145353.db2.gz HDUOXBVIZDKHGH-KDWRMLKXSA-N 0 3 289.419 3.699 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cc(F)ccc1[O-] ZINC000903428980 1130175476 /nfs/dbraw/zinc/17/54/76/1130175476.db2.gz RIUFIUOFIMFPSP-APPDUMDISA-N 0 3 286.350 3.728 20 10 CHCDHN C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccccc1[O-] ZINC000903430050 1130176733 /nfs/dbraw/zinc/17/67/33/1130176733.db2.gz XGVUJECQWKQHGR-SJKOYZFVSA-N 0 3 268.360 3.589 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)c1[O-] ZINC000753585478 1130220048 /nfs/dbraw/zinc/22/00/48/1130220048.db2.gz HRABTRDSKFSLQN-OLZOCXBDSA-N 0 3 297.826 3.649 20 10 CHCDHN C[C@H]1CCCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792821603 1130501012 /nfs/dbraw/zinc/50/10/12/1130501012.db2.gz YNZSAQPYYOXGTA-NSHDSACASA-N 0 3 286.341 3.756 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CCC2(C)CC2)c1[O-] ZINC000793197652 1130529347 /nfs/dbraw/zinc/52/93/47/1130529347.db2.gz DTIZIJFIYPFEAH-UHFFFAOYSA-N 0 3 253.773 3.634 20 10 CHCDHN CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793386274 1130551852 /nfs/dbraw/zinc/55/18/52/1130551852.db2.gz KESAAWDLAORWHN-GXTWGEPZSA-N 0 3 265.397 3.705 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1ccccc1[O-] ZINC000793576107 1130572150 /nfs/dbraw/zinc/57/21/50/1130572150.db2.gz XTTDBGIYBHOFPU-INIZCTEOSA-N 0 3 295.386 3.552 20 10 CHCDHN COc1cc(Cl)cc(CN2CC(C)(C)[C@H]2C2CC2)c1O ZINC000811513841 1130620517 /nfs/dbraw/zinc/62/05/17/1130620517.db2.gz SFGWDMBAVWDZRK-OAHLLOKOSA-N 0 3 295.810 3.675 20 10 CHCDHN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000780792584 1130692991 /nfs/dbraw/zinc/69/29/91/1130692991.db2.gz HPAIRVOVCTYCRM-MWLCHTKSSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000780792584 1130692992 /nfs/dbraw/zinc/69/29/92/1130692992.db2.gz HPAIRVOVCTYCRM-MWLCHTKSSA-N 0 3 291.288 3.694 20 10 CHCDHN C[C@H]1CC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235000463 1130699734 /nfs/dbraw/zinc/69/97/34/1130699734.db2.gz IJXUREGAGDMYRP-ZDUSSCGKSA-N 0 3 253.345 3.653 20 10 CHCDHN C[C@H]1CC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001235000463 1130699738 /nfs/dbraw/zinc/69/97/38/1130699738.db2.gz IJXUREGAGDMYRP-ZDUSSCGKSA-N 0 3 253.345 3.653 20 10 CHCDHN CC1C[NH+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234991586 1130700488 /nfs/dbraw/zinc/70/04/88/1130700488.db2.gz NICONVZVYJIDNK-UHFFFAOYSA-N 0 3 253.345 3.511 20 10 CHCDHN [O-]c1c(C[N@@H+]2CCC[C@@H]2CF)cccc1-c1ccccc1 ZINC001234997597 1130701065 /nfs/dbraw/zinc/70/10/65/1130701065.db2.gz BRIPEDNIJGJHQA-MRXNPFEDSA-N 0 3 285.362 3.993 20 10 CHCDHN [O-]c1c(C[N@H+]2CCC[C@@H]2CF)cccc1-c1ccccc1 ZINC001234997597 1130701068 /nfs/dbraw/zinc/70/10/68/1130701068.db2.gz BRIPEDNIJGJHQA-MRXNPFEDSA-N 0 3 285.362 3.993 20 10 CHCDHN COC[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993224 1130701251 /nfs/dbraw/zinc/70/12/51/1130701251.db2.gz XIIPYNDOSRMBCB-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN COC[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993224 1130701255 /nfs/dbraw/zinc/70/12/55/1130701255.db2.gz XIIPYNDOSRMBCB-QGZVFWFLSA-N 0 3 297.398 3.670 20 10 CHCDHN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cccc1-c1ccccc1 ZINC001235003592 1130702067 /nfs/dbraw/zinc/70/20/67/1130702067.db2.gz WCMWOYIMRWSZAU-IYBDPMFKSA-N 0 3 265.356 3.511 20 10 CHCDHN [O-]c1c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cccc1-c1ccccc1 ZINC001235003592 1130702071 /nfs/dbraw/zinc/70/20/71/1130702071.db2.gz WCMWOYIMRWSZAU-IYBDPMFKSA-N 0 3 265.356 3.511 20 10 CHCDHN CC(C)O[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681093 1130767381 /nfs/dbraw/zinc/76/73/81/1130767381.db2.gz XXYPSTZDUWZFPN-MRXNPFEDSA-N 0 3 291.435 3.689 20 10 CHCDHN CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235681093 1130767385 /nfs/dbraw/zinc/76/73/85/1130767385.db2.gz XXYPSTZDUWZFPN-MRXNPFEDSA-N 0 3 291.435 3.689 20 10 CHCDHN CO[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235679569 1130767417 /nfs/dbraw/zinc/76/74/17/1130767417.db2.gz PPILRLYJIZFTMT-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235679569 1130767418 /nfs/dbraw/zinc/76/74/18/1130767418.db2.gz PPILRLYJIZFTMT-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN CO[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@@H](C)C1 ZINC001235682380 1130767527 /nfs/dbraw/zinc/76/75/27/1130767527.db2.gz WTYZOFLAIUAOEV-BBRMVZONSA-N 0 3 291.435 3.689 20 10 CHCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@@H](C)C1 ZINC001235682380 1130767531 /nfs/dbraw/zinc/76/75/31/1130767531.db2.gz WTYZOFLAIUAOEV-BBRMVZONSA-N 0 3 291.435 3.689 20 10 CHCDHN Cc1ccoc1C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000813882619 1130793885 /nfs/dbraw/zinc/79/38/85/1130793885.db2.gz FILWEPABUYIDMC-PWSUYJOCSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccoc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000813882619 1130793891 /nfs/dbraw/zinc/79/38/91/1130793891.db2.gz FILWEPABUYIDMC-PWSUYJOCSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccc(OCC[NH2+][C@@H](C)c2ccccc2[O-])c(C)c1 ZINC000783501735 1130831262 /nfs/dbraw/zinc/83/12/62/1130831262.db2.gz PTEBANHTWCDZGI-HNNXBMFYSA-N 0 3 285.387 3.739 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000783593502 1130842382 /nfs/dbraw/zinc/84/23/82/1130842382.db2.gz VBBDMHKRGCMZIH-JQFCIGGWSA-N 0 3 289.419 3.801 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000783593502 1130842390 /nfs/dbraw/zinc/84/23/90/1130842390.db2.gz VBBDMHKRGCMZIH-JQFCIGGWSA-N 0 3 289.419 3.801 20 10 CHCDHN Cc1cc(CN(Cc2ccncc2)C2CC2)ccc1N(C)C ZINC000815077017 1130955966 /nfs/dbraw/zinc/95/59/66/1130955966.db2.gz RZFFQFJPASRQMT-UHFFFAOYSA-N 0 3 295.430 3.621 20 10 CHCDHN Cc1cc(CN2CCc3ccsc3C2)ccc1N(C)C ZINC000815078316 1130956266 /nfs/dbraw/zinc/95/62/66/1130956266.db2.gz WNEPJQLWRYFWQO-UHFFFAOYSA-N 0 3 286.444 3.681 20 10 CHCDHN CCOc1ccc(C[NH2+]CCC(C)(C)C2CC2)c([O-])c1 ZINC000815163892 1130964597 /nfs/dbraw/zinc/96/45/97/1130964597.db2.gz SDWCETQSYDHYNH-UHFFFAOYSA-N 0 3 277.408 3.707 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001236786810 1131007195 /nfs/dbraw/zinc/00/71/95/1131007195.db2.gz PKRPRRZZAJEXSX-GJZGRUSLSA-N 0 3 259.393 3.577 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001236786810 1131007199 /nfs/dbraw/zinc/00/71/99/1131007199.db2.gz PKRPRRZZAJEXSX-GJZGRUSLSA-N 0 3 259.393 3.577 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC001236808423 1131010843 /nfs/dbraw/zinc/01/08/43/1131010843.db2.gz PHWPBLZZCYKVMW-TZMCWYRMSA-N 0 3 277.408 3.577 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC001236808423 1131010847 /nfs/dbraw/zinc/01/08/47/1131010847.db2.gz PHWPBLZZCYKVMW-TZMCWYRMSA-N 0 3 277.408 3.577 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)Cc2ccc(C)cc2)c([O-])c1 ZINC001236814868 1131013627 /nfs/dbraw/zinc/01/36/27/1131013627.db2.gz XKLDRLSNJZWZNF-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)Cc2ccc(C)cc2)c([O-])c1 ZINC001236814868 1131013628 /nfs/dbraw/zinc/01/36/28/1131013628.db2.gz XKLDRLSNJZWZNF-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN C[C@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])C2(CC2)C1 ZINC001236836253 1131017944 /nfs/dbraw/zinc/01/79/44/1131017944.db2.gz GJUCNENHIXDIIN-CYBMUJFWSA-N 0 3 267.372 3.920 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])C2(CC2)C1 ZINC001236836253 1131017949 /nfs/dbraw/zinc/01/79/49/1131017949.db2.gz GJUCNENHIXDIIN-CYBMUJFWSA-N 0 3 267.372 3.920 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[NH+]1CC(c2cccnc2)C1 ZINC001236834483 1131018877 /nfs/dbraw/zinc/01/88/77/1131018877.db2.gz ZGAROLSHSYPCID-UHFFFAOYSA-N 0 3 290.366 3.540 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000798086100 1131024755 /nfs/dbraw/zinc/02/47/55/1131024755.db2.gz JNHGDUHNRSGBKY-YEORSEQZSA-N 0 3 289.325 3.706 20 10 CHCDHN CCOc1ccc(C[N@H+](C)CC2CCCCC2)c([O-])c1 ZINC001237045199 1131040230 /nfs/dbraw/zinc/04/02/30/1131040230.db2.gz YJLXAMQAAVOVOI-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)CC2CCCCC2)c([O-])c1 ZINC001237045199 1131040235 /nfs/dbraw/zinc/04/02/35/1131040235.db2.gz YJLXAMQAAVOVOI-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237049780 1131041513 /nfs/dbraw/zinc/04/15/13/1131041513.db2.gz TVCSUQIRBCMQFS-QGZVFWFLSA-N 0 3 291.435 3.905 20 10 CHCDHN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237049780 1131041519 /nfs/dbraw/zinc/04/15/19/1131041519.db2.gz TVCSUQIRBCMQFS-QGZVFWFLSA-N 0 3 291.435 3.905 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c([O-])c1 ZINC001237050634 1131041562 /nfs/dbraw/zinc/04/15/62/1131041562.db2.gz GCOIAFNDBPYWCB-GOSISDBHSA-N 0 3 289.419 3.518 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c([O-])c1 ZINC001237050634 1131041568 /nfs/dbraw/zinc/04/15/68/1131041568.db2.gz GCOIAFNDBPYWCB-GOSISDBHSA-N 0 3 289.419 3.518 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCC[C@](C)(F)CC2)c([O-])c1 ZINC001237049430 1131041796 /nfs/dbraw/zinc/04/17/96/1131041796.db2.gz FIWIDYSRDAICPE-INIZCTEOSA-N 0 3 281.371 3.505 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCC[C@](C)(F)CC2)c([O-])c1 ZINC001237049430 1131041802 /nfs/dbraw/zinc/04/18/02/1131041802.db2.gz FIWIDYSRDAICPE-INIZCTEOSA-N 0 3 281.371 3.505 20 10 CHCDHN CC1CC([N@H+](C)Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237121133 1131056799 /nfs/dbraw/zinc/05/67/99/1131056799.db2.gz VMCUGLIRJCCFER-UHFFFAOYSA-N 0 3 289.297 3.521 20 10 CHCDHN CC1CC([N@@H+](C)Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237121133 1131056804 /nfs/dbraw/zinc/05/68/04/1131056804.db2.gz VMCUGLIRJCCFER-UHFFFAOYSA-N 0 3 289.297 3.521 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000217802492 1131056957 /nfs/dbraw/zinc/05/69/57/1131056957.db2.gz ZMLPMQOHLDRREK-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000217802492 1131056960 /nfs/dbraw/zinc/05/69/60/1131056960.db2.gz ZMLPMQOHLDRREK-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C(F)(F)F)ccc2[O-])C1 ZINC001237140737 1131057236 /nfs/dbraw/zinc/05/72/36/1131057236.db2.gz OKNWRPIQNUBMAX-GHMZBOCLSA-N 0 3 287.325 3.889 20 10 CHCDHN CN(Cc1cnc(-c2ccccc2)o1)Cc1ccccc1O ZINC001237369773 1131092962 /nfs/dbraw/zinc/09/29/62/1131092962.db2.gz FPZQHTSAMLZIHN-UHFFFAOYSA-N 0 3 294.354 3.679 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001237493001 1131104123 /nfs/dbraw/zinc/10/41/23/1131104123.db2.gz YXJUYEICLWRNIG-QGZVFWFLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001237493001 1131104127 /nfs/dbraw/zinc/10/41/27/1131104127.db2.gz YXJUYEICLWRNIG-QGZVFWFLSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001237492590 1131104732 /nfs/dbraw/zinc/10/47/32/1131104732.db2.gz SSFDJACTTXWRSK-UHFFFAOYSA-N 0 3 277.383 3.805 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001237492590 1131104736 /nfs/dbraw/zinc/10/47/36/1131104736.db2.gz SSFDJACTTXWRSK-UHFFFAOYSA-N 0 3 277.383 3.805 20 10 CHCDHN CCCCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC001237681953 1131126695 /nfs/dbraw/zinc/12/66/95/1131126695.db2.gz UTCHPWQMOVRPPB-UHFFFAOYSA-N 0 3 255.789 3.976 20 10 CHCDHN CCCCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC001237681953 1131126698 /nfs/dbraw/zinc/12/66/98/1131126698.db2.gz UTCHPWQMOVRPPB-UHFFFAOYSA-N 0 3 255.789 3.976 20 10 CHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237641303 1131123822 /nfs/dbraw/zinc/12/38/22/1131123822.db2.gz RGSLMSOSYYOKGM-GASCZTMLSA-N 0 3 283.346 3.650 20 10 CHCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001237641303 1131123827 /nfs/dbraw/zinc/12/38/27/1131123827.db2.gz RGSLMSOSYYOKGM-GASCZTMLSA-N 0 3 283.346 3.650 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C)(F)CC2)c1[O-] ZINC001237680815 1131126392 /nfs/dbraw/zinc/12/63/92/1131126392.db2.gz HZHRADGKOHDIAS-UHFFFAOYSA-N 0 3 271.763 3.678 20 10 CHCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001237677576 1131126773 /nfs/dbraw/zinc/12/67/73/1131126773.db2.gz OMIYNLWXIOTDII-JTQLQIEISA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001237677576 1131126776 /nfs/dbraw/zinc/12/67/76/1131126776.db2.gz OMIYNLWXIOTDII-JTQLQIEISA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC3)CC2)c1[O-] ZINC001237680052 1131127143 /nfs/dbraw/zinc/12/71/43/1131127143.db2.gz OHTAKYQSKPLWLL-UHFFFAOYSA-N 0 3 265.784 3.730 20 10 CHCDHN Cc1cc(F)cc(CN(C)Cc2cccc(F)c2)c1O ZINC001238055647 1131165410 /nfs/dbraw/zinc/16/54/10/1131165410.db2.gz BDAURVCXUCVYHQ-UHFFFAOYSA-N 0 3 277.314 3.611 20 10 CHCDHN Cc1cc(F)cc(CN2CCC[C@H]2c2ccccn2)c1O ZINC001238063420 1131166570 /nfs/dbraw/zinc/16/65/70/1131166570.db2.gz WDPMIRKUTBRFGG-INIZCTEOSA-N 0 3 286.350 3.572 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)nc(C)c2)c([O-])c1 ZINC000817590425 1131175280 /nfs/dbraw/zinc/17/52/80/1131175280.db2.gz WTFMJETYYDHUGF-CQSZACIVSA-N 0 3 270.376 3.563 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2CCCN3)c([O-])c1 ZINC000817975035 1131194084 /nfs/dbraw/zinc/19/40/84/1131194084.db2.gz HYVZZBRGCPQAMV-AWEZNQCLSA-N 0 3 296.414 3.910 20 10 CHCDHN CCN(Cc1cc(C)c(Cl)cn1)Cc1ccccc1O ZINC001238424295 1131198261 /nfs/dbraw/zinc/19/82/61/1131198261.db2.gz XAVYTMGMYMBAQY-UHFFFAOYSA-N 0 3 290.794 3.771 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000824469043 1131471322 /nfs/dbraw/zinc/47/13/22/1131471322.db2.gz VMFAOOFAEBMFKQ-MRXNPFEDSA-N 0 3 289.325 3.838 20 10 CHCDHN CC1(C)OCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824625223 1131478014 /nfs/dbraw/zinc/47/80/14/1131478014.db2.gz HCAVTPZPADRXON-SFHVURJKSA-N 0 3 297.398 3.716 20 10 CHCDHN CCCc1ncc(CN[C@@H](CC)c2ccccc2O)o1 ZINC000825085455 1131499178 /nfs/dbraw/zinc/49/91/78/1131499178.db2.gz KVVFKHHXEHCMGH-AWEZNQCLSA-N 0 3 274.364 3.574 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001140057860 1131660012 /nfs/dbraw/zinc/66/00/12/1131660012.db2.gz QJWUCAWKLMCIOH-UHFFFAOYSA-N 0 3 285.309 3.543 20 10 CHCDHN Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1[O-] ZINC001140178696 1131673004 /nfs/dbraw/zinc/67/30/04/1131673004.db2.gz VBIJPIQVIMKICQ-IUODEOHRSA-N 0 3 261.409 3.877 20 10 CHCDHN CC(C)Oc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000834518631 1131680739 /nfs/dbraw/zinc/68/07/39/1131680739.db2.gz KYCVUJNFMCJNJN-KRWDZBQOSA-N 0 3 297.398 3.957 20 10 CHCDHN C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834522361 1131680960 /nfs/dbraw/zinc/68/09/60/1131680960.db2.gz AOKDFOJHLCEYBX-KMFMINBZSA-N 0 3 289.419 3.564 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CSCc3ccccc31)CC2 ZINC000834545325 1131682422 /nfs/dbraw/zinc/68/24/22/1131682422.db2.gz YETYRCYXXDWMES-CVEARBPZSA-N 0 3 297.423 3.957 20 10 CHCDHN CCN(C)c1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834575504 1131684001 /nfs/dbraw/zinc/68/40/01/1131684001.db2.gz LUITYOSYFLKXBE-INIZCTEOSA-N 0 3 296.414 3.625 20 10 CHCDHN CC[C@H](NCc1cccc(OC)c1O)c1ccccc1F ZINC000846046101 1131684420 /nfs/dbraw/zinc/68/44/20/1131684420.db2.gz UVLMRANZFJVOJN-HNNXBMFYSA-N 0 3 289.350 3.781 20 10 CHCDHN CCC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccn1 ZINC000834566962 1131684388 /nfs/dbraw/zinc/68/43/88/1131684388.db2.gz WBHNYAPSQBTTAK-JKSUJKDBSA-N 0 3 282.387 3.906 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCc1cccc(F)c1)CC2 ZINC000834578744 1131684828 /nfs/dbraw/zinc/68/48/28/1131684828.db2.gz XXOPUGDAWVSEGP-MRXNPFEDSA-N 0 3 285.362 3.741 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCc1cccc(F)c1)CC2 ZINC000834578742 1131684960 /nfs/dbraw/zinc/68/49/60/1131684960.db2.gz XXOPUGDAWVSEGP-INIZCTEOSA-N 0 3 285.362 3.741 20 10 CHCDHN CCOc1ccccc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834639815 1131690095 /nfs/dbraw/zinc/69/00/95/1131690095.db2.gz COKQNSYWDKVTCU-INIZCTEOSA-N 0 3 297.398 3.611 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)COCC1CC1)c1ccc(C)cc1[O-] ZINC000846206213 1131695697 /nfs/dbraw/zinc/69/56/97/1131695697.db2.gz XPYFCHSLIYCXFD-CJNGLKHVSA-N 0 3 277.408 3.556 20 10 CHCDHN COc1cccc([C@H](C)NCc2cc(F)ccc2F)c1O ZINC000846148059 1131696099 /nfs/dbraw/zinc/69/60/99/1131696099.db2.gz WZCIEXHXGPYRGB-JTQLQIEISA-N 0 3 293.313 3.530 20 10 CHCDHN CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1(C)C ZINC000834766243 1131703180 /nfs/dbraw/zinc/70/31/80/1131703180.db2.gz RLDPWWKMHGJSLX-VNQPRFMTSA-N 0 3 289.419 3.561 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CSc3ccccc31)CC2 ZINC000834819100 1131707663 /nfs/dbraw/zinc/70/76/63/1131707663.db2.gz SFDLLRXFJCKYJS-ZFWWWQNUSA-N 0 3 297.423 3.859 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1ccc(C)cc1[O-] ZINC000834860424 1131712659 /nfs/dbraw/zinc/71/26/59/1131712659.db2.gz RJZIFDWOKCBYDA-MRXNPFEDSA-N 0 3 270.376 3.645 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCOC2(C)C)c1[O-] ZINC000834875439 1131716205 /nfs/dbraw/zinc/71/62/05/1131716205.db2.gz OYPVZSMOKNGFGZ-GWCFXTLKSA-N 0 3 283.799 3.572 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000834886218 1131718241 /nfs/dbraw/zinc/71/82/41/1131718241.db2.gz QXKSNJNGMKIPTJ-MPGHIAIKSA-N 0 3 291.435 3.802 20 10 CHCDHN COc1ccc(C)cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772950383 1131720735 /nfs/dbraw/zinc/72/07/35/1131720735.db2.gz GTLGAAAVXIZYPV-HNNXBMFYSA-N 0 3 298.430 3.920 20 10 CHCDHN CC[C@@H](N[C@@H](C)c1nccn1CC)c1ccc(C)cc1O ZINC000834897180 1131722278 /nfs/dbraw/zinc/72/22/78/1131722278.db2.gz YLMHBZVYPRBFCT-DZGCQCFKSA-N 0 3 287.407 3.719 20 10 CHCDHN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1cncc(F)c1 ZINC000835048169 1131765617 /nfs/dbraw/zinc/76/56/17/1131765617.db2.gz MNVWYVMCEYJVLH-NNTXTVRGSA-N 0 3 299.393 3.651 20 10 CHCDHN C[C@@H](c1cccnc1)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835048544 1131765698 /nfs/dbraw/zinc/76/56/98/1131765698.db2.gz UJMVUKKRJVRYRS-MOEXGYKKSA-N 0 3 295.430 3.854 20 10 CHCDHN CC[N@H+](Cc1ccc(OC)cc1C)Cc1ccccc1[O-] ZINC001140676832 1131857655 /nfs/dbraw/zinc/85/76/55/1131857655.db2.gz NIJRHZVWRGVJFQ-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccc(OC)cc1C)Cc1ccccc1[O-] ZINC001140676832 1131857662 /nfs/dbraw/zinc/85/76/62/1131857662.db2.gz NIJRHZVWRGVJFQ-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001140951103 1131972311 /nfs/dbraw/zinc/97/23/11/1131972311.db2.gz ZAJLVZKIPJVTBU-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001140951103 1131972314 /nfs/dbraw/zinc/97/23/14/1131972314.db2.gz ZAJLVZKIPJVTBU-OAHLLOKOSA-N 0 3 285.362 3.829 20 10 CHCDHN CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(C)cc1[O-] ZINC001140950856 1131972373 /nfs/dbraw/zinc/97/23/73/1131972373.db2.gz LEOJUFTWTKAKER-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(C)cc1[O-] ZINC001140950856 1131972377 /nfs/dbraw/zinc/97/23/77/1131972377.db2.gz LEOJUFTWTKAKER-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN Cc1ccc(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c([O-])c1 ZINC001140958317 1131973360 /nfs/dbraw/zinc/97/33/60/1131973360.db2.gz XQOKENPAJPENLL-UHFFFAOYSA-N 0 3 289.419 3.624 20 10 CHCDHN CC[C@H]([NH2+]CC[C@H]1CCCS1)c1ccccc1[O-] ZINC000715697806 1131990359 /nfs/dbraw/zinc/99/03/59/1131990359.db2.gz QLFKQEPUCUHSHK-OCCSQVGLSA-N 0 3 265.422 3.719 20 10 CHCDHN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc(O)ccc1O ZINC001141160562 1132030999 /nfs/dbraw/zinc/03/09/99/1132030999.db2.gz FAYXFMFLPVVVEV-NSHDSACASA-N 0 3 291.778 3.944 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CSc2ccccc2C1 ZINC001172206567 1132141232 /nfs/dbraw/zinc/14/12/32/1132141232.db2.gz ROWSJTXYMFCXCA-INIZCTEOSA-N 0 3 299.439 3.931 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CSc2ccccc2C1 ZINC001172206567 1132141237 /nfs/dbraw/zinc/14/12/37/1132141237.db2.gz ROWSJTXYMFCXCA-INIZCTEOSA-N 0 3 299.439 3.931 20 10 CHCDHN CC[C@H](C)OCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001172328844 1132172717 /nfs/dbraw/zinc/17/27/17/1132172717.db2.gz QFMXGXDHTJRTLG-MELADBBJSA-N 0 3 265.397 3.637 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@@](C)(OC)C1CC1)c1ccccc1[O-] ZINC000840860508 1132296300 /nfs/dbraw/zinc/29/63/00/1132296300.db2.gz VHOYJMWIYJVNNU-YLQAJVPDSA-N 0 3 277.408 3.637 20 10 CHCDHN CC(C)(C)c1ccncc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840857495 1132296516 /nfs/dbraw/zinc/29/65/16/1132296516.db2.gz MLUARALHCUGINL-INIZCTEOSA-N 0 3 296.414 3.862 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172724172 1132297766 /nfs/dbraw/zinc/29/77/66/1132297766.db2.gz KVDIQTPUOSOXNQ-INIZCTEOSA-N 0 3 287.790 3.645 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172724172 1132297774 /nfs/dbraw/zinc/29/77/74/1132297774.db2.gz KVDIQTPUOSOXNQ-INIZCTEOSA-N 0 3 287.790 3.645 20 10 CHCDHN C[C@H]1C[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@H]2O1 ZINC001231587585 1132317399 /nfs/dbraw/zinc/31/73/99/1132317399.db2.gz VTKVUWXAJFZTEK-ZUEVXXBESA-N 0 3 297.398 3.545 20 10 CHCDHN C[C@H]1C[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@H]2O1 ZINC001231587585 1132317404 /nfs/dbraw/zinc/31/74/04/1132317404.db2.gz VTKVUWXAJFZTEK-ZUEVXXBESA-N 0 3 297.398 3.545 20 10 CHCDHN CC[N@H+](Cc1cccnc1)Cc1c([O-])ccc2ccccc21 ZINC001231590169 1132317942 /nfs/dbraw/zinc/31/79/42/1132317942.db2.gz OIWJLPCZYOWHBL-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1cccnc1)Cc1c([O-])ccc2ccccc21 ZINC001231590169 1132317950 /nfs/dbraw/zinc/31/79/50/1132317950.db2.gz OIWJLPCZYOWHBL-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CCCN1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841743498 1132387671 /nfs/dbraw/zinc/38/76/71/1132387671.db2.gz HXPJUXIPQJKZFU-LBPRGKRZSA-N 0 3 296.842 3.571 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)CC2CCCCC2)c([O-])c1 ZINC000841760982 1132396196 /nfs/dbraw/zinc/39/61/96/1132396196.db2.gz HLJFXZKJRWYVIW-HOCLYGCPSA-N 0 3 291.435 3.683 20 10 CHCDHN COc1cccc2c(C[N@H+](C)Cc3ccccc3[O-])c[nH]c21 ZINC001231899876 1132397651 /nfs/dbraw/zinc/39/76/51/1132397651.db2.gz WUGDZIYFJFIIHG-UHFFFAOYSA-N 0 3 296.370 3.514 20 10 CHCDHN COc1cccc2c(C[N@@H+](C)Cc3ccccc3[O-])c[nH]c21 ZINC001231899876 1132397658 /nfs/dbraw/zinc/39/76/58/1132397658.db2.gz WUGDZIYFJFIIHG-UHFFFAOYSA-N 0 3 296.370 3.514 20 10 CHCDHN Oc1ccccc1CNC1(c2ccccc2Cl)CC1 ZINC000842724873 1132455069 /nfs/dbraw/zinc/45/50/69/1132455069.db2.gz HKCXYRHHPKATCQ-UHFFFAOYSA-N 0 3 273.763 3.825 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000842903838 1132474827 /nfs/dbraw/zinc/47/48/27/1132474827.db2.gz YUXLIZPAFGFEDC-BRWVUGGUSA-N 0 3 279.383 3.773 20 10 CHCDHN COc1cccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c1[O-] ZINC000843437598 1132534468 /nfs/dbraw/zinc/53/44/68/1132534468.db2.gz OSJBHCAUYGVRQD-HNNXBMFYSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1cccc(C[N@H+]2CCCC[C@H]2C2CCC2)c1[O-] ZINC000843437598 1132534475 /nfs/dbraw/zinc/53/44/75/1132534475.db2.gz OSJBHCAUYGVRQD-HNNXBMFYSA-N 0 3 275.392 3.555 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000236559643 1132545937 /nfs/dbraw/zinc/54/59/37/1132545937.db2.gz AWPDXFIRAFBXBC-IUODEOHRSA-N 0 3 263.356 3.686 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000236559643 1132545944 /nfs/dbraw/zinc/54/59/44/1132545944.db2.gz AWPDXFIRAFBXBC-IUODEOHRSA-N 0 3 263.356 3.686 20 10 CHCDHN Cc1ccc(Cl)cc1C[N@@H+](C)Cc1ccccc1[O-] ZINC001233250683 1132588136 /nfs/dbraw/zinc/58/81/36/1132588136.db2.gz VDSRDSDIYKXHIH-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1ccc(Cl)cc1C[N@H+](C)Cc1ccccc1[O-] ZINC001233250683 1132588141 /nfs/dbraw/zinc/58/81/41/1132588141.db2.gz VDSRDSDIYKXHIH-UHFFFAOYSA-N 0 3 275.779 3.986 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOC(C)C)c1[O-] ZINC000808672398 1132755652 /nfs/dbraw/zinc/75/56/52/1132755652.db2.gz MJNHJMQSDGJGAL-GFCCVEGCSA-N 0 3 285.815 3.820 20 10 CHCDHN COc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c([O-])c1 ZINC001203629168 1133346079 /nfs/dbraw/zinc/34/60/79/1133346079.db2.gz ROVJGUMLXJRWTM-CQSZACIVSA-N 0 3 293.382 3.505 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCCCc1ccccc1)CC2 ZINC001207616987 1133832158 /nfs/dbraw/zinc/83/21/58/1133832158.db2.gz PBERSIGUVBMUDM-UHFFFAOYSA-N 0 3 281.399 3.773 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCCCc1ccccc1)CC2 ZINC001207616987 1133832163 /nfs/dbraw/zinc/83/21/63/1133832163.db2.gz PBERSIGUVBMUDM-UHFFFAOYSA-N 0 3 281.399 3.773 20 10 CHCDHN CC(C)c1ccc([O-])c(C[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC001207675075 1133838047 /nfs/dbraw/zinc/83/80/47/1133838047.db2.gz JPPMMLRGIDPRGT-KRWDZBQOSA-N 0 3 291.435 3.546 20 10 CHCDHN CCc1ccc2c(c1)CCN(Cc1cc(OC)ccc1O)C2 ZINC001207845215 1133853210 /nfs/dbraw/zinc/85/32/10/1133853210.db2.gz WOKXGZRPUBCPAL-UHFFFAOYSA-N 0 3 297.398 3.522 20 10 CHCDHN CC1=C[C@H](C)[C@H](C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001208184007 1133900925 /nfs/dbraw/zinc/90/09/25/1133900925.db2.gz ZMQNCEMLDDXNEK-HOCLYGCPSA-N 0 3 271.404 3.743 20 10 CHCDHN CC1=C[C@H](C)[C@H](C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001208184007 1133900929 /nfs/dbraw/zinc/90/09/29/1133900929.db2.gz ZMQNCEMLDDXNEK-HOCLYGCPSA-N 0 3 271.404 3.743 20 10 CHCDHN CC[N@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1[O-] ZINC001209245558 1133996853 /nfs/dbraw/zinc/99/68/53/1133996853.db2.gz JYCPCFIYCRCUOZ-UHFFFAOYSA-N 0 3 291.341 3.735 20 10 CHCDHN CC[N@@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1[O-] ZINC001209245558 1133996856 /nfs/dbraw/zinc/99/68/56/1133996856.db2.gz JYCPCFIYCRCUOZ-UHFFFAOYSA-N 0 3 291.341 3.735 20 10 CHCDHN Cc1ccc(C)n1-c1ccc(CN2CC3(CSC3)C2)cc1 ZINC001209519693 1134034604 /nfs/dbraw/zinc/03/46/04/1134034604.db2.gz FHMPAGJPEPYZLJ-UHFFFAOYSA-N 0 3 298.455 3.643 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1[O-] ZINC000404770716 1134949265 /nfs/dbraw/zinc/94/92/65/1134949265.db2.gz WJRWMGCCAFSYCY-MRXNPFEDSA-N 0 3 284.334 3.644 20 10 CHCDHN Cc1ccc(O)c(CNCc2ccsc2Cl)c1 ZINC000312765820 1135135736 /nfs/dbraw/zinc/13/57/36/1135135736.db2.gz NDGHVBVEADMGDH-UHFFFAOYSA-N 0 3 267.781 3.705 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000316830242 1135169425 /nfs/dbraw/zinc/16/94/25/1135169425.db2.gz RVFHFZKHYXGQQW-OFQRWUPVSA-N 0 3 298.430 3.679 20 10 CHCDHN CCc1ccc(CNCc2c(C)c3ccccc3n2C)cn1 ZINC000352705119 529653861 /nfs/dbraw/zinc/65/38/61/529653861.db2.gz KDFMDTJMBVRTQB-UHFFFAOYSA-N 0 3 293.414 3.734 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1[O-] ZINC000020129741 171017869 /nfs/dbraw/zinc/01/78/69/171017869.db2.gz JAMZRKGHGBRESE-BLLLJJGKSA-N 0 3 253.345 3.730 20 10 CHCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000020133808 171022123 /nfs/dbraw/zinc/02/21/23/171022123.db2.gz DNARGYBSJCEBKR-QGZVFWFLSA-N 0 3 283.371 3.568 20 10 CHCDHN C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1[O-] ZINC000020138336 171026104 /nfs/dbraw/zinc/02/61/04/171026104.db2.gz KKGSJYLIMHXEIT-CQSZACIVSA-N 0 3 255.361 3.503 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)CCCC(C)C)c1[O-] ZINC000020138723 171026110 /nfs/dbraw/zinc/02/61/10/171026110.db2.gz RSAMJIOZDYZYKN-CYBMUJFWSA-N 0 3 265.397 3.705 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCc3occc32)c1 ZINC000020204540 171069788 /nfs/dbraw/zinc/06/97/88/171069788.db2.gz IPDRUEJVNGDUIK-NHYWBVRUSA-N 0 3 287.359 3.722 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000037254121 173065554 /nfs/dbraw/zinc/06/55/54/173065554.db2.gz NRIDADHARZCPOW-RWMBFGLXSA-N 0 3 263.381 3.630 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccccc1[O-] ZINC000038041698 174043538 /nfs/dbraw/zinc/04/35/38/174043538.db2.gz DTAZCMRKBWMRGF-RDJZCZTQSA-N 0 3 290.451 3.555 20 10 CHCDHN CC[C@@H]([NH2+][C@H](COC)c1ccccc1)c1ccccc1[O-] ZINC000156573630 261126445 /nfs/dbraw/zinc/12/64/45/261126445.db2.gz VCSHDHHASOZJRR-IAGOWNOFSA-N 0 3 285.387 3.821 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)c([O-])c1 ZINC000184911808 262033221 /nfs/dbraw/zinc/03/32/21/262033221.db2.gz OGABXRTVVYOIBT-ZDUSSCGKSA-N 0 3 273.351 3.999 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])ccc1F ZINC000184911859 262033455 /nfs/dbraw/zinc/03/34/55/262033455.db2.gz OELIEMKXZJRRAK-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN C[C@@H]([NH2+]CCc1cccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000184980519 262035825 /nfs/dbraw/zinc/03/58/25/262035825.db2.gz VSNJFBDTHULGPD-CQSZACIVSA-N 0 3 296.414 3.559 20 10 CHCDHN CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185102214 262040793 /nfs/dbraw/zinc/04/07/93/262040793.db2.gz BBQZMUPZEDMHGQ-SJKOYZFVSA-N 0 3 289.350 3.570 20 10 CHCDHN CO[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000185102162 262040913 /nfs/dbraw/zinc/04/09/13/262040913.db2.gz BBQZMUPZEDMHGQ-SJCJKPOMSA-N 0 3 289.350 3.570 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)c([O-])c1 ZINC000185532632 262058809 /nfs/dbraw/zinc/05/88/09/262058809.db2.gz ADPXLEZRADDGSH-CRAIPNDOSA-N 0 3 299.414 3.865 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c1 ZINC000185669222 262065069 /nfs/dbraw/zinc/06/50/69/262065069.db2.gz LDFIHYFNAFRRCP-OAHLLOKOSA-N 0 3 291.435 3.684 20 10 CHCDHN CCc1noc(CC)c1CN[C@@H](C)c1cc(C)ccc1O ZINC000185678431 262065845 /nfs/dbraw/zinc/06/58/45/262065845.db2.gz KOHZZGWTKHGSSX-LBPRGKRZSA-N 0 3 288.391 3.664 20 10 CHCDHN COC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccccc1 ZINC000186035511 262076258 /nfs/dbraw/zinc/07/62/58/262076258.db2.gz NHEBICJCAPTJRV-MLGOLLRUSA-N 0 3 289.350 3.570 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(F)ccc1[O-] ZINC000186130133 262081094 /nfs/dbraw/zinc/08/10/94/262081094.db2.gz ZGZKOAMUOBOERS-GXTWGEPZSA-N 0 3 293.382 3.674 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000280750785 263064136 /nfs/dbraw/zinc/06/41/36/263064136.db2.gz BQCZFLGKRNKCAS-VXGBXAGGSA-N 0 3 269.335 3.787 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000185834270 327847255 /nfs/dbraw/zinc/84/72/55/327847255.db2.gz LPTKGYVGNBFFBR-DAYGRLMNSA-N 0 3 299.414 3.863 20 10 CHCDHN COc1cccc(C2([NH2+][C@H](C)c3ccccc3[O-])CC2)c1 ZINC000272908836 328201286 /nfs/dbraw/zinc/20/12/86/328201286.db2.gz WHMFBXFEGWHGRS-CYBMUJFWSA-N 0 3 283.371 3.741 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)c2nccs2)c([O-])c1 ZINC000285128799 328247161 /nfs/dbraw/zinc/24/71/61/328247161.db2.gz LKPJSVROZRMMAZ-OLZOCXBDSA-N 0 3 290.432 3.920 20 10 CHCDHN COc1cccc(C[NH2+]Cc2ccccc2CC(C)C)c1[O-] ZINC000527732499 326853831 /nfs/dbraw/zinc/85/38/31/326853831.db2.gz IOYLIWCFAICMHB-UHFFFAOYSA-N 0 3 299.414 3.889 20 10 CHCDHN CCOc1cccc(C[NH2+]C(CC)(C2CC2)C2CC2)c1[O-] ZINC000527763152 326865634 /nfs/dbraw/zinc/86/56/34/326865634.db2.gz KPNTZTQONDUVKE-UHFFFAOYSA-N 0 3 289.419 3.849 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000377784824 329029338 /nfs/dbraw/zinc/02/93/38/329029338.db2.gz XBIFOOXTUOLQGX-MJGOQNOKSA-N 0 3 297.398 3.711 20 10 CHCDHN Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000189374418 329380376 /nfs/dbraw/zinc/38/03/76/329380376.db2.gz NSPDAFIFBCUCKE-CZUORRHYSA-N 0 3 283.371 3.875 20 10 CHCDHN c1ccc([C@H](NCc2ccc3c(c2)CCO3)C2CCC2)nc1 ZINC000527769857 330281839 /nfs/dbraw/zinc/28/18/39/330281839.db2.gz BYKVKYAMSCFWEE-LJQANCHMSA-N 0 3 294.398 3.648 20 10 CHCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000527975902 330301984 /nfs/dbraw/zinc/30/19/84/330301984.db2.gz BKCMGXZARXWJII-KGLIPLIRSA-N 0 3 275.392 3.798 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000226588017 333265800 /nfs/dbraw/zinc/26/58/00/333265800.db2.gz JAVWMJDDXILLSH-OAHLLOKOSA-N 0 3 259.324 3.772 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1c[nH]c3ccccc13)CC2 ZINC000296113839 334905297 /nfs/dbraw/zinc/90/52/97/334905297.db2.gz UXOVSCUUPDOWIT-QGZVFWFLSA-N 0 3 292.382 3.693 20 10 CHCDHN CC(C)N(Cc1ccncc1)Cc1ccc(N(C)C)cc1 ZINC000265988456 519662917 /nfs/dbraw/zinc/66/29/17/519662917.db2.gz FBSYJYHBEJSQFG-UHFFFAOYSA-N 0 3 283.419 3.558 20 10 CHCDHN CC(C)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000236746319 519799114 /nfs/dbraw/zinc/79/91/14/519799114.db2.gz VTXCBPHDLUULTE-GOSISDBHSA-N 0 3 299.370 3.608 20 10 CHCDHN CCC[C@@H](CCO)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280224664 520702069 /nfs/dbraw/zinc/70/20/69/520702069.db2.gz UYVYKWDNNNPRMT-GOEBONIOSA-N 0 3 279.424 3.540 20 10 CHCDHN CCOc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000037679469 521373965 /nfs/dbraw/zinc/37/39/65/521373965.db2.gz CGAVFTBJFUHISM-CQSZACIVSA-N 0 3 285.387 3.950 20 10 CHCDHN CCOCCC1(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280128276 521691986 /nfs/dbraw/zinc/69/19/86/521691986.db2.gz OTRWDXABLOZNKY-MRXNPFEDSA-N 0 3 291.435 3.948 20 10 CHCDHN CCc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000084200325 521841701 /nfs/dbraw/zinc/84/17/01/521841701.db2.gz CTZZIGWIJUKESY-ZDUSSCGKSA-N 0 3 285.387 3.814 20 10 CHCDHN CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1ccccc1[O-] ZINC000274741697 522574217 /nfs/dbraw/zinc/57/42/17/522574217.db2.gz FKWHEGNLOLHTGY-HOCLYGCPSA-N 0 3 291.435 3.622 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000280299748 522635199 /nfs/dbraw/zinc/63/51/99/522635199.db2.gz ZUVUGYZEDHBEHZ-YCPHGPKFSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000050015505 522657201 /nfs/dbraw/zinc/65/72/01/522657201.db2.gz WTICTORZJVWJBZ-AWEZNQCLSA-N 0 3 286.331 3.541 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(C)cc1[O-] ZINC000280269174 522755385 /nfs/dbraw/zinc/75/53/85/522755385.db2.gz XTSJOZODXFZHLC-QILLFSRXSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@@H]([NH2+]C1CCSCC1)c1ccc(C)cc1[O-] ZINC000280229200 522811091 /nfs/dbraw/zinc/81/10/91/522811091.db2.gz VFTOFKKOZINJHT-CQSZACIVSA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1ccc(C)cc1[O-] ZINC000291301168 522869286 /nfs/dbraw/zinc/86/92/86/522869286.db2.gz SKVIQRLRVNTEOW-WBVHZDCISA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])c1ccc(OC)cc1 ZINC000071407648 522869981 /nfs/dbraw/zinc/86/99/81/522869981.db2.gz PUGVBYTZZLDFPR-QGZVFWFLSA-N 0 3 285.387 3.950 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cc(OC)ccc1[O-])c1ccccc1 ZINC000051626640 522872730 /nfs/dbraw/zinc/87/27/30/522872730.db2.gz CZEFWPDAJMOIJR-MRXNPFEDSA-N 0 3 271.360 3.642 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(OC)cc1 ZINC000037062610 522884838 /nfs/dbraw/zinc/88/48/38/522884838.db2.gz PFVBKAFPRKRIRY-MRXNPFEDSA-N 0 3 271.360 3.642 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(C)cc1[O-] ZINC000280009302 522923885 /nfs/dbraw/zinc/92/38/85/522923885.db2.gz GPCHNJCGRROHCP-TZMCWYRMSA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC000281106057 523449738 /nfs/dbraw/zinc/44/97/38/523449738.db2.gz AVDUXTWIUZEHEU-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCO1 ZINC000281106057 523449743 /nfs/dbraw/zinc/44/97/43/523449743.db2.gz AVDUXTWIUZEHEU-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616805 524783042 /nfs/dbraw/zinc/78/30/42/524783042.db2.gz HBECQTMPITVVQH-RYUDHWBXSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000071407673 525355512 /nfs/dbraw/zinc/35/55/12/525355512.db2.gz HMHIGFIZFAUOPZ-GOSISDBHSA-N 0 3 267.372 3.942 20 10 CHCDHN C[C@@H](NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000037231950 525543054 /nfs/dbraw/zinc/54/30/54/525543054.db2.gz ZGIMTIKLMLXULO-GFCCVEGCSA-N 0 3 260.406 3.665 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccc([N+](=O)[O-])cc1 ZINC000297448954 525634401 /nfs/dbraw/zinc/63/44/01/525634401.db2.gz WUVCWJBSGVNPHO-NHYWBVRUSA-N 0 3 298.342 3.639 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000049577365 525733378 /nfs/dbraw/zinc/73/33/78/525733378.db2.gz SXWHPEUAXXTUQG-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CSCCS2)c([O-])c1C ZINC000273617373 525925069 /nfs/dbraw/zinc/92/50/69/525925069.db2.gz XUFRELHLLGIYSI-STQMWFEESA-N 0 3 297.489 3.508 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000071408066 525925234 /nfs/dbraw/zinc/92/52/34/525925234.db2.gz OHDCUWRXUGFTHL-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C)c([O-])c1 ZINC000037718944 525928688 /nfs/dbraw/zinc/92/86/88/525928688.db2.gz BEIWNBGOGDYSRP-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c([O-])c1 ZINC000282855481 525936933 /nfs/dbraw/zinc/93/69/33/525936933.db2.gz UJDROZVKIQLNKS-WMLDXEAASA-N 0 3 289.419 3.701 20 10 CHCDHN COc1cccc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)c1[O-] ZINC000291671763 526033728 /nfs/dbraw/zinc/03/37/28/526033728.db2.gz GQPRYEPMEHQAEL-QGZVFWFLSA-N 0 3 297.398 3.876 20 10 CHCDHN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000290343621 526514383 /nfs/dbraw/zinc/51/43/83/526514383.db2.gz FPEAINRNZQGIHU-INIZCTEOSA-N 0 3 299.418 3.686 20 10 CHCDHN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000290343621 526514389 /nfs/dbraw/zinc/51/43/89/526514389.db2.gz FPEAINRNZQGIHU-INIZCTEOSA-N 0 3 299.418 3.686 20 10 CHCDHN C[C@H](c1cccc(F)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000109772072 1125469238 /nfs/dbraw/zinc/46/92/38/1125469238.db2.gz VOUDGHJIVLBXBC-GFCCVEGCSA-N 0 3 259.324 3.724 20 10 CHCDHN C[C@H](c1cccc(F)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000109772072 1125469241 /nfs/dbraw/zinc/46/92/41/1125469241.db2.gz VOUDGHJIVLBXBC-GFCCVEGCSA-N 0 3 259.324 3.724 20 10 CHCDHN Cc1ccc(C[NH2+]CC[C@@H]2CCCC2(F)F)c([O-])c1 ZINC000895546062 1123491195 /nfs/dbraw/zinc/49/11/95/1123491195.db2.gz YHHPTDHTADMFKF-ZDUSSCGKSA-N 0 3 269.335 3.616 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)c1ccc(C)cc1[O-] ZINC000794802985 1123952936 /nfs/dbraw/zinc/95/29/36/1123952936.db2.gz PBFLCJPGONMPAG-HOCLYGCPSA-N 0 3 279.424 3.802 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000877588381 1125049520 /nfs/dbraw/zinc/04/95/20/1125049520.db2.gz ZNAXEPWJEIYEPC-UHFFFAOYSA-N 0 3 277.433 3.562 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CCSC2(CCC2)CC1 ZINC000877588381 1125049529 /nfs/dbraw/zinc/04/95/29/1125049529.db2.gz ZNAXEPWJEIYEPC-UHFFFAOYSA-N 0 3 277.433 3.562 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccccc1[O-] ZINC000878354160 1125143096 /nfs/dbraw/zinc/14/30/96/1125143096.db2.gz DAGZETWPKPKODT-NWDGAFQWSA-N 0 3 269.335 3.868 20 10 CHCDHN CC[C@H]([NH2+]CCOC(C)(C)CC)c1ccc(C)cc1[O-] ZINC000834916394 1131733723 /nfs/dbraw/zinc/73/37/23/1131733723.db2.gz XHWNKRBYUHNRDZ-HNNXBMFYSA-N 0 3 279.424 3.947 20 10 CHCDHN CCC[N@@H+](CCSC(C)C)Cc1ccccc1[O-] ZINC000801518460 1131934625 /nfs/dbraw/zinc/93/46/25/1131934625.db2.gz IYSWAZBJXPTNAA-UHFFFAOYSA-N 0 3 267.438 3.746 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000840858962 1132296648 /nfs/dbraw/zinc/29/66/48/1132296648.db2.gz FGEKWZMMQRBCCZ-BZPMIXESSA-N 0 3 265.422 3.635 20 10 CHCDHN CN(C)c1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC000215913293 1125581877 /nfs/dbraw/zinc/58/18/77/1125581877.db2.gz VTGYBUOEEOUSJB-UHFFFAOYSA-N 0 3 290.357 3.663 20 10 CHCDHN C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccccc1[O-] ZINC000886774537 1125716335 /nfs/dbraw/zinc/71/63/35/1125716335.db2.gz PNYQOIYHCMFKNK-PBHICJAKSA-N 0 3 289.419 3.782 20 10 CHCDHN COC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000089668355 1125737340 /nfs/dbraw/zinc/73/73/40/1125737340.db2.gz WOCXOGIPIUHUPO-DNVCBOLYSA-N 0 3 298.430 3.791 20 10 CHCDHN COc1cccc(CN([C@@H](C)c2ccco2)C2CC2)c1O ZINC000092483925 1125758673 /nfs/dbraw/zinc/75/86/73/1125758673.db2.gz PAHAUMCHAQDNEF-LBPRGKRZSA-N 0 3 287.359 3.719 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C)CC2)c1[O-] ZINC000252841654 1129598625 /nfs/dbraw/zinc/59/86/25/1129598625.db2.gz DJQFSZUYDHCEKA-MJHDQNEOSA-N 0 3 283.799 3.723 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)c1ccccc1[O-] ZINC000158098741 1126746005 /nfs/dbraw/zinc/74/60/05/1126746005.db2.gz XRCIKVZWVASLAY-DGCLKSJQSA-N 0 3 276.405 3.693 20 10 CHCDHN CCN(CC)c1ccc(CNCc2cnccc2C)cc1 ZINC000162632561 1126784427 /nfs/dbraw/zinc/78/44/27/1126784427.db2.gz AJRLVQNJAUOXTK-UHFFFAOYSA-N 0 3 283.419 3.526 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CC1(F)CC1)C1CCCC1 ZINC000792821013 1130501222 /nfs/dbraw/zinc/50/12/22/1130501222.db2.gz RVTUNVVIYPAPBR-UHFFFAOYSA-N 0 3 263.356 3.639 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+](CC1CC1)CC1CCC1 ZINC000793391349 1130552088 /nfs/dbraw/zinc/55/20/88/1130552088.db2.gz VUNCRFNJRHVCHU-UHFFFAOYSA-N 0 3 263.356 3.543 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000179097072 1126823413 /nfs/dbraw/zinc/82/34/13/1126823413.db2.gz HYFSYWBMTTUKNR-LBPRGKRZSA-N 0 3 289.810 3.652 20 10 CHCDHN [O-]c1ccccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000179560168 1126829741 /nfs/dbraw/zinc/82/97/41/1126829741.db2.gz SMBRIOVVGQIDNN-UHFFFAOYSA-N 0 3 297.398 3.573 20 10 CHCDHN COc1ccc(O)c(CN([C@@H](C)c2ccco2)C2CC2)c1 ZINC000179850012 1126835404 /nfs/dbraw/zinc/83/54/04/1126835404.db2.gz UNKJANJHRRVGHY-LBPRGKRZSA-N 0 3 287.359 3.719 20 10 CHCDHN Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])s1 ZINC000183198768 1126883195 /nfs/dbraw/zinc/88/31/95/1126883195.db2.gz TUTJPWQMBPHLHA-GXSJLCMTSA-N 0 3 294.395 3.751 20 10 CHCDHN COc1ccc(CCC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000183435786 1126886864 /nfs/dbraw/zinc/88/68/64/1126886864.db2.gz LJKLBUAEJIOATI-CQSZACIVSA-N 0 3 285.387 3.684 20 10 CHCDHN Cc1cc(Cl)cc(CN(C)[C@@H](C)c2cccnc2)c1O ZINC000183729017 1126891512 /nfs/dbraw/zinc/89/15/12/1126891512.db2.gz PVZPJAIABSPAEI-LBPRGKRZSA-N 0 3 290.794 3.942 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2cccnc2)c1[O-] ZINC000183729017 1126891515 /nfs/dbraw/zinc/89/15/15/1126891515.db2.gz PVZPJAIABSPAEI-LBPRGKRZSA-N 0 3 290.794 3.942 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2cccnc2)c1[O-] ZINC000183729017 1126891518 /nfs/dbraw/zinc/89/15/18/1126891518.db2.gz PVZPJAIABSPAEI-LBPRGKRZSA-N 0 3 290.794 3.942 20 10 CHCDHN CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1cccnc1 ZINC000183546851 1126888849 /nfs/dbraw/zinc/88/88/49/1126888849.db2.gz ZUTBNDCSOPEEOV-YOEHRIQHSA-N 0 3 284.403 3.878 20 10 CHCDHN CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])c1cccnc1 ZINC000183546866 1126888852 /nfs/dbraw/zinc/88/88/52/1126888852.db2.gz ZUTBNDCSOPEEOV-RHSMWYFYSA-N 0 3 284.403 3.878 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000185834314 1126903938 /nfs/dbraw/zinc/90/39/38/1126903938.db2.gz LPTKGYVGNBFFBR-RKVPGOIHSA-N 0 3 299.414 3.863 20 10 CHCDHN CCOC1CC(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000189249564 1126929762 /nfs/dbraw/zinc/92/97/62/1126929762.db2.gz DQSKPQBKULOMFL-WLYUNCDWSA-N 0 3 277.408 3.556 20 10 CHCDHN Cc1cc(CN(C)Cc2ccsc2)ccc1N(C)C ZINC000815011637 1130949362 /nfs/dbraw/zinc/94/93/62/1130949362.db2.gz UZGQUGZABAULIU-UHFFFAOYSA-N 0 3 274.433 3.755 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc(Cl)o2)c(O)c1 ZINC000698074714 1127037834 /nfs/dbraw/zinc/03/78/34/1127037834.db2.gz MMMNAROIGKLFMW-SNVBAGLBSA-N 0 3 265.740 3.798 20 10 CHCDHN CCC(CC)[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237114855 1131052223 /nfs/dbraw/zinc/05/22/23/1131052223.db2.gz NJZCOSGKEMIBER-UHFFFAOYSA-N 0 3 291.313 3.911 20 10 CHCDHN CCC(CC)[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237114855 1131052228 /nfs/dbraw/zinc/05/22/28/1131052228.db2.gz NJZCOSGKEMIBER-UHFFFAOYSA-N 0 3 291.313 3.911 20 10 CHCDHN Cc1cc(C)c(O)c(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000163894918 1127146851 /nfs/dbraw/zinc/14/68/51/1127146851.db2.gz MLXGEWUSNZQLDH-GOSISDBHSA-N 0 3 297.398 3.583 20 10 CHCDHN Cc1cc(C)c(O)c(CN2CCO[C@H](c3ccccc3)C2)c1 ZINC000163894806 1127147487 /nfs/dbraw/zinc/14/74/87/1127147487.db2.gz MLXGEWUSNZQLDH-SFHVURJKSA-N 0 3 297.398 3.583 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1)c1ccccc1[O-] ZINC000156588426 1127160074 /nfs/dbraw/zinc/16/00/74/1127160074.db2.gz RSSOXHWJIAWPHC-RHSMWYFYSA-N 0 3 285.387 3.900 20 10 CHCDHN Cc1sccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000816477593 1131096863 /nfs/dbraw/zinc/09/68/63/1131096863.db2.gz CWRFZDUVATWNJE-UHFFFAOYSA-N 0 3 274.433 3.755 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000164482455 1127168149 /nfs/dbraw/zinc/16/81/49/1127168149.db2.gz OCJSFJURUCWGJB-UHFFFAOYSA-N 0 3 297.398 3.690 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000164482455 1127168152 /nfs/dbraw/zinc/16/81/52/1127168152.db2.gz OCJSFJURUCWGJB-UHFFFAOYSA-N 0 3 297.398 3.690 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001237484662 1131104930 /nfs/dbraw/zinc/10/49/30/1131104930.db2.gz GQKDVJUPCOOGHF-GFCCVEGCSA-N 0 3 269.335 3.568 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001237484662 1131104934 /nfs/dbraw/zinc/10/49/34/1131104934.db2.gz GQKDVJUPCOOGHF-GFCCVEGCSA-N 0 3 269.335 3.568 20 10 CHCDHN CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000156786140 1127183501 /nfs/dbraw/zinc/18/35/01/1127183501.db2.gz OPOMBGJTTSAIEP-XIRDDKMYSA-N 0 3 291.435 3.764 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1(Cc2ccccc2)CCC1 ZINC000760719492 1127208450 /nfs/dbraw/zinc/20/84/50/1127208450.db2.gz ZOIPMDDAHIHBJH-UHFFFAOYSA-N 0 3 267.372 3.647 20 10 CHCDHN CC(C)CSCCC[N@H+](C)Cc1ccccc1[O-] ZINC000157252646 1127293504 /nfs/dbraw/zinc/29/35/04/1127293504.db2.gz CSTILPJRASSNRC-UHFFFAOYSA-N 0 3 267.438 3.603 20 10 CHCDHN CC(C)CSCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000157252646 1127293506 /nfs/dbraw/zinc/29/35/06/1127293506.db2.gz CSTILPJRASSNRC-UHFFFAOYSA-N 0 3 267.438 3.603 20 10 CHCDHN CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000760902646 1127324224 /nfs/dbraw/zinc/32/42/24/1127324224.db2.gz HHFAZAHARVFUJG-SCZZXKLOSA-N 0 3 279.277 3.913 20 10 CHCDHN CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000760902648 1127324497 /nfs/dbraw/zinc/32/44/97/1127324497.db2.gz HHFAZAHARVFUJG-WCBMZHEXSA-N 0 3 279.277 3.913 20 10 CHCDHN C[C@H](CF)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000288391752 1127337025 /nfs/dbraw/zinc/33/70/25/1127337025.db2.gz GZQZOHXCSFMTFE-GFCCVEGCSA-N 0 3 259.324 3.507 20 10 CHCDHN C[C@H]1CN(Cc2cc(F)c(Cl)cc2O)CCC1(F)F ZINC001237933675 1129219111 /nfs/dbraw/zinc/21/91/11/1129219111.db2.gz FUXUDWMPMLWDSZ-QMMMGPOBSA-N 0 3 293.716 3.662 20 10 CHCDHN C[C@@H](NCc1cc(F)ccc1O)c1ccc(F)cc1F ZINC000226583543 1127412576 /nfs/dbraw/zinc/41/25/76/1127412576.db2.gz CWDAPIUPYIJLNO-SECBINFHSA-N 0 3 281.277 3.660 20 10 CHCDHN C[C@@H]1CCCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001308694597 1127430685 /nfs/dbraw/zinc/43/06/85/1127430685.db2.gz LNARPPULAITYHB-GFCCVEGCSA-N 0 3 282.378 3.653 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC(C)(C)C2)c1[O-] ZINC000169092746 1127481966 /nfs/dbraw/zinc/48/19/66/1127481966.db2.gz HMSNBASJPLRKQW-GFCCVEGCSA-N 0 3 283.799 3.723 20 10 CHCDHN CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000228561083 1127567495 /nfs/dbraw/zinc/56/74/95/1127567495.db2.gz NXINYKQWLNIJMG-ZDUSSCGKSA-N 0 3 283.799 3.819 20 10 CHCDHN CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1[O-] ZINC000228561083 1127567498 /nfs/dbraw/zinc/56/74/98/1127567498.db2.gz NXINYKQWLNIJMG-ZDUSSCGKSA-N 0 3 283.799 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(C)C)C2)c1[O-] ZINC000228667814 1127583107 /nfs/dbraw/zinc/58/31/07/1127583107.db2.gz NEYVAVZXSUWMFS-NSHDSACASA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(C)C)C2)c1[O-] ZINC000228667814 1127583111 /nfs/dbraw/zinc/58/31/11/1127583111.db2.gz NEYVAVZXSUWMFS-NSHDSACASA-N 0 3 283.799 3.532 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@H]2C)c1[O-] ZINC000228669756 1127583344 /nfs/dbraw/zinc/58/33/44/1127583344.db2.gz GCLKTHRNRQOHNM-MFKMUULPSA-N 0 3 283.799 3.723 20 10 CHCDHN C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[O-] ZINC000295094369 1127619505 /nfs/dbraw/zinc/61/95/05/1127619505.db2.gz UFQDSKBQSVPTJX-JQWIXIFHSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1[O-] ZINC000295094369 1127619506 /nfs/dbraw/zinc/61/95/06/1127619506.db2.gz UFQDSKBQSVPTJX-JQWIXIFHSA-N 0 3 273.298 3.555 20 10 CHCDHN CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000296890501 1127684890 /nfs/dbraw/zinc/68/48/90/1127684890.db2.gz ONXJFQXHHGPLMG-FMKPAKJESA-N 0 3 289.419 3.563 20 10 CHCDHN CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000296890510 1127685284 /nfs/dbraw/zinc/68/52/84/1127685284.db2.gz ONXJFQXHHGPLMG-YCPHGPKFSA-N 0 3 289.419 3.563 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCOc3ccccc31)CC2 ZINC000297551415 1127699363 /nfs/dbraw/zinc/69/93/63/1127699363.db2.gz FRGQRECSVJITRT-GOEBONIOSA-N 0 3 295.382 3.535 20 10 CHCDHN CC(C)Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000171937084 1127736205 /nfs/dbraw/zinc/73/62/05/1127736205.db2.gz NDYYNSTUINGIOP-UHFFFAOYSA-N 0 3 285.387 3.811 20 10 CHCDHN CC(C)Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000171937084 1127736209 /nfs/dbraw/zinc/73/62/09/1127736209.db2.gz NDYYNSTUINGIOP-UHFFFAOYSA-N 0 3 285.387 3.811 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c([O-])c1 ZINC000371869990 1127782780 /nfs/dbraw/zinc/78/27/80/1127782780.db2.gz MCBKKAJLNJRQMK-KUHUBIRLSA-N 0 3 297.398 3.665 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccccc1[O-] ZINC000296443379 1129222963 /nfs/dbraw/zinc/22/29/63/1129222963.db2.gz ZQTLIROAQIFPBA-RYUDHWBXSA-N 0 3 269.335 3.868 20 10 CHCDHN CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000784266113 1127925867 /nfs/dbraw/zinc/92/58/67/1127925867.db2.gz PYECVWYKLVQRRE-CQSZACIVSA-N 0 3 293.407 3.555 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCSCC(F)(F)F)c([O-])c1 ZINC000698951993 1128069210 /nfs/dbraw/zinc/06/92/10/1128069210.db2.gz FQFNPQGVFAGWHA-JTQLQIEISA-N 0 3 293.354 3.647 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000226585357 1128196061 /nfs/dbraw/zinc/19/60/61/1128196061.db2.gz OKCGVGPKLBJTQI-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@H]([NH2+]C[C@@]1(c2ccccc2)CCCO1)c1ccccc1[O-] ZINC000927114177 1128219379 /nfs/dbraw/zinc/21/93/79/1128219379.db2.gz CSSUIOCKCLRWKO-HNAYVOBHSA-N 0 3 297.398 3.749 20 10 CHCDHN CCc1onc(C)c1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000927138605 1128221546 /nfs/dbraw/zinc/22/15/46/1128221546.db2.gz GTBJUWSDBCGRJJ-GFCCVEGCSA-N 0 3 288.391 3.719 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)CC2 ZINC000324631659 1128389390 /nfs/dbraw/zinc/38/93/90/1128389390.db2.gz AOCOURXRMKSWAW-WMLDXEAASA-N 0 3 257.377 3.548 20 10 CHCDHN C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000040668279 1128526953 /nfs/dbraw/zinc/52/69/53/1128526953.db2.gz ZTCUJHPARCIRBN-RVKKMQEKSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccccc1[O-] ZINC000156411162 1128635729 /nfs/dbraw/zinc/63/57/29/1128635729.db2.gz YBIXAVSRZXDXAC-IAGOWNOFSA-N 0 3 291.435 3.764 20 10 CHCDHN COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccccc1[O-] ZINC000778995526 1128674390 /nfs/dbraw/zinc/67/43/90/1128674390.db2.gz BFFAYGZIGUCHMN-GOSISDBHSA-N 0 3 297.398 3.910 20 10 CHCDHN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccccc1[O-] ZINC000778995526 1128674391 /nfs/dbraw/zinc/67/43/91/1128674391.db2.gz BFFAYGZIGUCHMN-GOSISDBHSA-N 0 3 297.398 3.910 20 10 CHCDHN C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000779023639 1128685814 /nfs/dbraw/zinc/68/58/14/1128685814.db2.gz VBNDPCGKZVPGRG-WBVHZDCISA-N 0 3 281.399 3.845 20 10 CHCDHN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000779023639 1128685816 /nfs/dbraw/zinc/68/58/16/1128685816.db2.gz VBNDPCGKZVPGRG-WBVHZDCISA-N 0 3 281.399 3.845 20 10 CHCDHN CC(C)(C)C1=CC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000779034183 1128696136 /nfs/dbraw/zinc/69/61/36/1128696136.db2.gz PWCHEPOVCMPIHY-UHFFFAOYSA-N 0 3 263.356 3.710 20 10 CHCDHN CC(C)(C)C1=CC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000779034183 1128696140 /nfs/dbraw/zinc/69/61/40/1128696140.db2.gz PWCHEPOVCMPIHY-UHFFFAOYSA-N 0 3 263.356 3.710 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000072928474 1117846684 /nfs/dbraw/zinc/84/66/84/1117846684.db2.gz RVFCRULYTXWLSD-UHFFFAOYSA-N 0 3 287.325 3.851 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCc2ccccc2C1 ZINC000782047945 1117848293 /nfs/dbraw/zinc/84/82/93/1117848293.db2.gz JOBXQEWDFLMWGI-HNNXBMFYSA-N 0 3 281.399 3.629 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCc2ccccc2C1 ZINC000782047945 1117848300 /nfs/dbraw/zinc/84/83/00/1117848300.db2.gz JOBXQEWDFLMWGI-HNNXBMFYSA-N 0 3 281.399 3.629 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2)c([O-])c1 ZINC000186041072 1117974798 /nfs/dbraw/zinc/97/47/98/1117974798.db2.gz JJJJHWJPLZTNNC-LSDHHAIUSA-N 0 3 285.387 3.819 20 10 CHCDHN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186093772 1117989983 /nfs/dbraw/zinc/98/99/83/1117989983.db2.gz ULNJLEWFMGXBAK-AHIWAGSCSA-N 0 3 295.398 3.633 20 10 CHCDHN Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccccc2[O-])s1 ZINC000179572835 1128748379 /nfs/dbraw/zinc/74/83/79/1128748379.db2.gz QMRXSHSSPQDORT-LLVKDONJSA-N 0 3 276.405 3.659 20 10 CHCDHN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccccc2[O-])s1 ZINC000179572835 1128748381 /nfs/dbraw/zinc/74/83/81/1128748381.db2.gz QMRXSHSSPQDORT-LLVKDONJSA-N 0 3 276.405 3.659 20 10 CHCDHN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(F)ccc2[O-])s1 ZINC000180126863 1118142646 /nfs/dbraw/zinc/14/26/46/1118142646.db2.gz ATJZRTMMMWINHD-JTQLQIEISA-N 0 3 294.395 3.798 20 10 CHCDHN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(F)ccc2[O-])s1 ZINC000180126863 1118142648 /nfs/dbraw/zinc/14/26/48/1118142648.db2.gz ATJZRTMMMWINHD-JTQLQIEISA-N 0 3 294.395 3.798 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCc2c1cccc2O ZINC000765387877 1118148289 /nfs/dbraw/zinc/14/82/89/1118148289.db2.gz FTWFTBRFTUHUGE-SFHVURJKSA-N 0 3 296.414 3.544 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)COC2 ZINC000765607979 1118182289 /nfs/dbraw/zinc/18/22/89/1118182289.db2.gz GCUHAFMTKLMDKN-ZDUSSCGKSA-N 0 3 295.382 3.503 20 10 CHCDHN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCCO3)cc1 ZINC000921621185 1118226583 /nfs/dbraw/zinc/22/65/83/1118226583.db2.gz LQPJTDLTMJZUBA-CQSZACIVSA-N 0 3 297.398 3.871 20 10 CHCDHN C[C@@H]([NH2+]CCCOCCc1ccccc1)c1ccccc1[O-] ZINC000179878938 1128765091 /nfs/dbraw/zinc/76/50/91/1128765091.db2.gz BTSGJSRAUIEXND-MRXNPFEDSA-N 0 3 299.414 3.692 20 10 CHCDHN COc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000188797757 1128765253 /nfs/dbraw/zinc/76/52/53/1128765253.db2.gz DWIITAXKAZDMQU-QWHCGFSZSA-N 0 3 286.375 3.516 20 10 CHCDHN COc1cnccc1[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000188782271 1128765545 /nfs/dbraw/zinc/76/55/45/1128765545.db2.gz XYULIXUVXMSLIV-CHWSQXEVSA-N 0 3 286.375 3.516 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000092326651 1118582987 /nfs/dbraw/zinc/58/29/87/1118582987.db2.gz CRDKNGBUGSOJKP-GHMZBOCLSA-N 0 3 274.364 3.717 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccsc1 ZINC000190259229 1128807892 /nfs/dbraw/zinc/80/78/92/1128807892.db2.gz PEDAGZGWMPEMFP-CYBMUJFWSA-N 0 3 275.417 3.907 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)Cc1ccsc1 ZINC000190259229 1128807896 /nfs/dbraw/zinc/80/78/96/1128807896.db2.gz PEDAGZGWMPEMFP-CYBMUJFWSA-N 0 3 275.417 3.907 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000051630688 1119059433 /nfs/dbraw/zinc/05/94/33/1119059433.db2.gz WSXKUPGFZAHXLX-XJKSGUPXSA-N 0 3 267.372 3.600 20 10 CHCDHN Cc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)cs1 ZINC000294304317 1119633172 /nfs/dbraw/zinc/63/31/72/1119633172.db2.gz VJQIMFYFKDYTBG-CYBMUJFWSA-N 0 3 274.433 3.973 20 10 CHCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccccc1[O-] ZINC000179580517 1119751640 /nfs/dbraw/zinc/75/16/40/1119751640.db2.gz XEHIIQGXXJSQSB-PBHICJAKSA-N 0 3 267.372 3.770 20 10 CHCDHN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccccc1[O-] ZINC000179580517 1119751644 /nfs/dbraw/zinc/75/16/44/1119751644.db2.gz XEHIIQGXXJSQSB-PBHICJAKSA-N 0 3 267.372 3.770 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCCOc2ccccc2)c([O-])c1 ZINC000052092020 1119781344 /nfs/dbraw/zinc/78/13/44/1119781344.db2.gz NZQXZDQWIUIIIV-OAHLLOKOSA-N 0 3 285.387 3.820 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708767200 1119807290 /nfs/dbraw/zinc/80/72/90/1119807290.db2.gz SGTSXNAEVPBVGR-CQSZACIVSA-N 0 3 277.383 3.934 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708767200 1119807294 /nfs/dbraw/zinc/80/72/94/1119807294.db2.gz SGTSXNAEVPBVGR-CQSZACIVSA-N 0 3 277.383 3.934 20 10 CHCDHN CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1ccccc1O)CCC2 ZINC000765817432 1120063351 /nfs/dbraw/zinc/06/33/51/1120063351.db2.gz LIDYMJYNTBQFKJ-XJKSGUPXSA-N 0 3 299.418 3.898 20 10 CHCDHN CCSCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000167455602 1120080290 /nfs/dbraw/zinc/08/02/90/1120080290.db2.gz BQLBDTATNNGIHP-NWDGAFQWSA-N 0 3 253.411 3.575 20 10 CHCDHN CO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CCCCC1 ZINC000695159887 1120126249 /nfs/dbraw/zinc/12/62/49/1120126249.db2.gz HHEXYGLCFPWORI-DYVFJYSZSA-N 0 3 277.408 3.638 20 10 CHCDHN C[C@H]([NH2+][C@H]1Cc2cccc(Cl)c2C1)c1ccccc1[O-] ZINC001168690240 1120256095 /nfs/dbraw/zinc/25/60/95/1120256095.db2.gz KKIPHXCLSWICIA-AAEUAGOBSA-N 0 3 287.790 3.864 20 10 CHCDHN COc1cccc(CN[C@H](C)c2cc3ccccc3o2)c1O ZINC000191129784 1128905228 /nfs/dbraw/zinc/90/52/28/1128905228.db2.gz CTLCUPUJVCTGGV-GFCCVEGCSA-N 0 3 297.354 3.998 20 10 CHCDHN C[C@H](NCc1ccnn1C1CCC1)c1ccc(N(C)C)cc1 ZINC000922015435 1120336138 /nfs/dbraw/zinc/33/61/38/1120336138.db2.gz PTCNVJFIYVOSMP-AWEZNQCLSA-N 0 3 298.434 3.525 20 10 CHCDHN COC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCCCC1 ZINC000186505272 1120342009 /nfs/dbraw/zinc/34/20/09/1120342009.db2.gz JYRWFNNWWVWNAZ-CQSZACIVSA-N 0 3 277.408 3.701 20 10 CHCDHN C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000185472237 1120378786 /nfs/dbraw/zinc/37/87/86/1120378786.db2.gz YDHCUGSVKSFKNS-MLGOLLRUSA-N 0 3 296.430 3.548 20 10 CHCDHN Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000186579471 1120402048 /nfs/dbraw/zinc/40/20/48/1120402048.db2.gz NCKILWYJWLSNHJ-ONGXEEELSA-N 0 3 294.395 3.751 20 10 CHCDHN CC[C@H]([NH2+]CC1(CC)CCOCC1)c1ccccc1[O-] ZINC000312625779 1120495153 /nfs/dbraw/zinc/49/51/53/1120495153.db2.gz BICWCTPYHZKJLD-HNNXBMFYSA-N 0 3 277.408 3.640 20 10 CHCDHN Cc1cnc(CNC/C=C\c2ccc(N(C)C)cc2)c(C)c1 ZINC000922740232 1120589761 /nfs/dbraw/zinc/58/97/61/1120589761.db2.gz DXYQJHIIZZLEAO-WAYWQWQTSA-N 0 3 295.430 3.567 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cc(F)ccc1[O-] ZINC000857082391 1120628158 /nfs/dbraw/zinc/62/81/58/1120628158.db2.gz NDDGDQQZBHOHFI-IUCAKERBSA-N 0 3 292.181 3.766 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC2)c1[O-] ZINC000186979057 1121042619 /nfs/dbraw/zinc/04/26/19/1121042619.db2.gz SMPGWTGQYZHZDK-VIFPVBQESA-N 0 3 284.197 3.524 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCC2(F)CCC2)c([O-])c1 ZINC000702433188 1121199555 /nfs/dbraw/zinc/19/95/55/1121199555.db2.gz UNJYZOREHUXEQC-GFCCVEGCSA-N 0 3 251.345 3.634 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1F)c1cc(F)ccc1[O-] ZINC000094616731 1121216154 /nfs/dbraw/zinc/21/61/54/1121216154.db2.gz QKXIMNQMDQLUBP-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1F ZINC000094952895 1121247470 /nfs/dbraw/zinc/24/74/70/1121247470.db2.gz MLKZVUCOUNMNMN-CYBMUJFWSA-N 0 3 285.362 3.920 20 10 CHCDHN Cc1cccc(CCC[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC001175418681 1121317001 /nfs/dbraw/zinc/31/70/01/1121317001.db2.gz NRWDJFUODQULGR-OAHLLOKOSA-N 0 3 269.388 3.984 20 10 CHCDHN C[C@H]([NH2+]Cc1cccc2ncccc12)c1ccccc1[O-] ZINC001175419105 1121317913 /nfs/dbraw/zinc/31/79/13/1121317913.db2.gz RXQVSNRCFYEFDD-ZDUSSCGKSA-N 0 3 278.355 3.791 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1CCCC12CCOCC2)c1ccccc1[O-] ZINC001175419493 1121318107 /nfs/dbraw/zinc/31/81/07/1121318107.db2.gz VPDFFYVNPNPVEB-CABCVRRESA-N 0 3 289.419 3.640 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccco1)c1ccccc1[O-] ZINC000248546104 1121573739 /nfs/dbraw/zinc/57/37/39/1121573739.db2.gz FNIPOUOUUCNGSN-IVMMDQJWSA-N 0 3 289.375 3.538 20 10 CHCDHN CCN(C)c1ccc(CN(Cc2ccccn2)C(C)C)cc1 ZINC000773731364 1121773572 /nfs/dbraw/zinc/77/35/72/1121773572.db2.gz TXLXRIDWROIIFS-UHFFFAOYSA-N 0 3 297.446 3.948 20 10 CHCDHN Cc1cc(C)cc(OCC[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000731843047 1121888327 /nfs/dbraw/zinc/88/83/27/1121888327.db2.gz PJSVMXYSHIUWMC-UHFFFAOYSA-N 0 3 285.387 3.520 20 10 CHCDHN Cc1cc(C)cc(OCC[N@H+](C)Cc2ccccc2[O-])c1 ZINC000731843047 1121888336 /nfs/dbraw/zinc/88/83/36/1121888336.db2.gz PJSVMXYSHIUWMC-UHFFFAOYSA-N 0 3 285.387 3.520 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001180141991 1121950226 /nfs/dbraw/zinc/95/02/26/1121950226.db2.gz KFTXUQVVSIKOMQ-KBXCAEBGSA-N 0 3 267.372 3.894 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001180141991 1121950228 /nfs/dbraw/zinc/95/02/28/1121950228.db2.gz KFTXUQVVSIKOMQ-KBXCAEBGSA-N 0 3 267.372 3.894 20 10 CHCDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001181196048 1122040775 /nfs/dbraw/zinc/04/07/75/1122040775.db2.gz HOLQTONBTLUGAH-SQWLQELKSA-N 0 3 289.419 3.849 20 10 CHCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)c([O-])c1 ZINC001181235334 1122043918 /nfs/dbraw/zinc/04/39/18/1122043918.db2.gz UZFPSOQBGXDIKQ-CFVMTHIKSA-N 0 3 291.435 3.871 20 10 CHCDHN COCC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(C)o1 ZINC000272812061 1122213609 /nfs/dbraw/zinc/21/36/09/1122213609.db2.gz DGYZMDKKFMGFAW-DZGCQCFKSA-N 0 3 289.375 3.722 20 10 CHCDHN Cc1ccc([C@H](C)NCc2cn3cc(C)ccc3n2)c(O)c1 ZINC000273613408 1122241279 /nfs/dbraw/zinc/24/12/79/1122241279.db2.gz WTGQFGYVWKWQEM-AWEZNQCLSA-N 0 3 295.386 3.508 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccccc1[O-] ZINC000192907405 1129046613 /nfs/dbraw/zinc/04/66/13/1129046613.db2.gz XQMRTVSJKPDIMO-QZTJIDSGSA-N 0 3 298.430 3.736 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CCCc1c(F)cccc1Cl ZINC000774988681 1122379389 /nfs/dbraw/zinc/37/93/89/1122379389.db2.gz HEJFGMZKZYUZTC-UHFFFAOYSA-N 0 3 293.769 3.907 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775508592 1122630212 /nfs/dbraw/zinc/63/02/12/1122630212.db2.gz CXXAVNUGYSNANV-ZLDLUXBVSA-N 0 3 296.842 3.569 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccccc1[O-] ZINC000775512920 1122634691 /nfs/dbraw/zinc/63/46/91/1122634691.db2.gz SMQFKGPFSHXQFH-CJNGLKHVSA-N 0 3 270.376 3.632 20 10 CHCDHN CC[C@H](NCc1nn(C)c2ccccc12)c1ccccc1O ZINC000775555050 1122661189 /nfs/dbraw/zinc/66/11/89/1122661189.db2.gz IAHOUMUXEFDBSP-HNNXBMFYSA-N 0 3 295.386 3.520 20 10 CHCDHN CC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1[O-] ZINC000775555050 1122661190 /nfs/dbraw/zinc/66/11/90/1122661190.db2.gz IAHOUMUXEFDBSP-HNNXBMFYSA-N 0 3 295.386 3.520 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC2(C)C)c1[O-] ZINC000775669742 1122886578 /nfs/dbraw/zinc/88/65/78/1122886578.db2.gz NAZGDIXNZLBJEL-UHFFFAOYSA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC2(C)C)c1[O-] ZINC000775669742 1122886582 /nfs/dbraw/zinc/88/65/82/1122886582.db2.gz NAZGDIXNZLBJEL-UHFFFAOYSA-N 0 3 253.773 3.728 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CCCCCC2)c1[O-] ZINC000775639483 1122848444 /nfs/dbraw/zinc/84/84/44/1122848444.db2.gz WZHCMKVFSJFTSU-UHFFFAOYSA-N 0 3 253.773 3.730 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000775652511 1122868374 /nfs/dbraw/zinc/86/83/74/1122868374.db2.gz MGSFZNURFKTNIZ-LLVKDONJSA-N 0 3 255.789 3.830 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000775652511 1122868380 /nfs/dbraw/zinc/86/83/80/1122868380.db2.gz MGSFZNURFKTNIZ-LLVKDONJSA-N 0 3 255.789 3.830 20 10 CHCDHN COc1ccc(O)c(CN2CC(C)(C)[C@H]2c2ccccc2)c1 ZINC000775662346 1122876149 /nfs/dbraw/zinc/87/61/49/1122876149.db2.gz WJHGZBVENCJASB-GOSISDBHSA-N 0 3 297.398 3.984 20 10 CHCDHN CCOc1ccc(C[NH2+]Cc2coc3ccccc23)c([O-])c1 ZINC000776174827 1123101538 /nfs/dbraw/zinc/10/15/38/1123101538.db2.gz HKNCNRYZBJFFOT-UHFFFAOYSA-N 0 3 297.354 3.827 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)C2CCCCC2)c([O-])c1 ZINC000776213069 1123150324 /nfs/dbraw/zinc/15/03/24/1123150324.db2.gz PNMFDADBQXCBHP-ZDUSSCGKSA-N 0 3 277.408 3.849 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](C)c2ccncc2)c1[O-] ZINC000776222780 1123156123 /nfs/dbraw/zinc/15/61/23/1123156123.db2.gz VMOUHNWKBQNBQL-LBPRGKRZSA-N 0 3 290.794 3.642 20 10 CHCDHN CCC1([NH2+]Cc2cc(Cl)cc(C)c2[O-])CCC1 ZINC000776231513 1123172839 /nfs/dbraw/zinc/17/28/39/1123172839.db2.gz IJQUCVIMWRCXDZ-UHFFFAOYSA-N 0 3 253.773 3.776 20 10 CHCDHN COC1CC(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000850483479 1123274001 /nfs/dbraw/zinc/27/40/01/1123274001.db2.gz XXYSFEZUTVESFI-LKSINWNRSA-N 0 3 297.826 3.820 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(C)cc1[O-] ZINC000850492208 1123274418 /nfs/dbraw/zinc/27/44/18/1123274418.db2.gz BQKLXRZMJRZHAS-GOEBONIOSA-N 0 3 290.451 3.614 20 10 CHCDHN CC[C@H](COCC1CC1)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000850493132 1123274426 /nfs/dbraw/zinc/27/44/26/1123274426.db2.gz HKMUSJDGMZWZOX-NVXWUHKLSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@H]([NH2+]CCC1(CSC)CC1)c1ccccc1[O-] ZINC000850506734 1123276718 /nfs/dbraw/zinc/27/67/18/1123276718.db2.gz LAGMUSPUMBJUSF-AWEZNQCLSA-N 0 3 279.449 3.966 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c1[O-] ZINC000850523802 1123279770 /nfs/dbraw/zinc/27/97/70/1123279770.db2.gz POSWUSCFRWMVEB-AAEUAGOBSA-N 0 3 295.810 3.716 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccccc1[O-] ZINC000850530242 1123284964 /nfs/dbraw/zinc/28/49/64/1123284964.db2.gz XTTKWQMIMRVCPM-JZXOWHBKSA-N 0 3 283.371 3.611 20 10 CHCDHN C[C@H]([NH2+]CCc1cn(C)c2ccccc12)c1ccccc1[O-] ZINC000850533894 1123285777 /nfs/dbraw/zinc/28/57/77/1123285777.db2.gz DDGJADDCQIAHSM-AWEZNQCLSA-N 0 3 294.398 3.777 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)O1)c1ccc(C)cc1[O-] ZINC000850535021 1123286428 /nfs/dbraw/zinc/28/64/28/1123286428.db2.gz PQYKJGHNNSGSSF-LZWOXQAQSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccccc1[O-] ZINC000850553635 1123290213 /nfs/dbraw/zinc/29/02/13/1123290213.db2.gz ZTLVEOLXQCCNEM-WCQYABFASA-N 0 3 269.335 3.724 20 10 CHCDHN CC[C@H]([NH2+]CCC1SCCS1)c1ccc(C)cc1[O-] ZINC000850568842 1123293672 /nfs/dbraw/zinc/29/36/72/1123293672.db2.gz KUAMNEDISQONLS-ZDUSSCGKSA-N 0 3 297.489 3.938 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(C)cc1[O-] ZINC000850570397 1123294118 /nfs/dbraw/zinc/29/41/18/1123294118.db2.gz GWAPYVALFBJQGD-UKRRQHHQSA-N 0 3 277.408 3.556 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCCc2ccco2)c2c1c(F)ccc2[O-] ZINC000850570552 1123294124 /nfs/dbraw/zinc/29/41/24/1123294124.db2.gz WDXUNHXUMDJPEC-FZMZJTMJSA-N 0 3 289.350 3.895 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCC(F)(F)CC1)CC2 ZINC000688491832 1123357503 /nfs/dbraw/zinc/35/75/03/1123357503.db2.gz VWXBCGNAESOBTN-LBPRGKRZSA-N 0 3 267.319 3.547 20 10 CHCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CCCCO1 ZINC000108643341 1123364561 /nfs/dbraw/zinc/36/45/61/1123364561.db2.gz DBIJLVDJCJJHEE-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CCCCO1 ZINC000108643341 1123364562 /nfs/dbraw/zinc/36/45/62/1123364562.db2.gz DBIJLVDJCJJHEE-OAHLLOKOSA-N 0 3 285.387 3.546 20 10 CHCDHN CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000783511469 1123407546 /nfs/dbraw/zinc/40/75/46/1123407546.db2.gz ZPCQXKSGOXYMSD-STQMWFEESA-N 0 3 273.380 3.581 20 10 CHCDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000853240140 1123428772 /nfs/dbraw/zinc/42/87/72/1123428772.db2.gz GRFCJIQNXLSOAH-NSHDSACASA-N 0 3 287.325 3.948 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccccc1[O-] ZINC000854226053 1123478199 /nfs/dbraw/zinc/47/81/99/1123478199.db2.gz MNPGJUPOYZBAPG-DLBZAZTESA-N 0 3 282.387 3.703 20 10 CHCDHN Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000273597430 1129126821 /nfs/dbraw/zinc/12/68/21/1129126821.db2.gz RABXNUKNRAJAIG-JTQLQIEISA-N 0 3 276.405 3.625 20 10 CHCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCC=CO1)C1CCCC1 ZINC000193932682 1129125924 /nfs/dbraw/zinc/12/59/24/1129125924.db2.gz RQNXEOKCOAAUGX-QGZVFWFLSA-N 0 3 287.403 3.830 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCC=CO1)C1CCCC1 ZINC000193932682 1129125925 /nfs/dbraw/zinc/12/59/25/1129125925.db2.gz RQNXEOKCOAAUGX-QGZVFWFLSA-N 0 3 287.403 3.830 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)c2c1c(F)ccc2[O-] ZINC000857082193 1123585761 /nfs/dbraw/zinc/58/57/61/1123585761.db2.gz UQVBZMUNPQCGOE-FXPVBKGRSA-N 0 3 285.309 3.715 20 10 CHCDHN COc1ccc(F)c(CN[C@@H](C)c2ccc(C)cc2O)c1 ZINC000857082001 1123586128 /nfs/dbraw/zinc/58/61/28/1123586128.db2.gz SGKYCUQNROMBRB-LBPRGKRZSA-N 0 3 289.350 3.699 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)/C=C\Cl)c1[O-] ZINC000896747418 1123618733 /nfs/dbraw/zinc/61/87/33/1123618733.db2.gz LNOQQPJCBJISOK-PLNGDYQASA-N 0 3 290.190 3.675 20 10 CHCDHN CCOc1ccccc1CNCc1ccc(N(C)C)cc1C ZINC000115629160 1123620311 /nfs/dbraw/zinc/62/03/11/1123620311.db2.gz WGFDNLNZBYBHAQ-UHFFFAOYSA-N 0 3 298.430 3.750 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000858548247 1123661599 /nfs/dbraw/zinc/66/15/99/1123661599.db2.gz RPODEDAHAXRXIK-VZJVUDMVSA-N 0 3 295.810 3.572 20 10 CHCDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccns2)c(O)c1C ZINC000858575589 1123664104 /nfs/dbraw/zinc/66/41/04/1123664104.db2.gz BLRDDKNFWXWEAS-RYUDHWBXSA-N 0 3 276.405 3.877 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000192785065 1123816728 /nfs/dbraw/zinc/81/67/28/1123816728.db2.gz FXYLHWFVTGJULA-STQMWFEESA-N 0 3 299.370 3.575 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@](C)(OC)C1CC1)c1ccccc1[O-] ZINC000840860500 1123860332 /nfs/dbraw/zinc/86/03/32/1123860332.db2.gz VHOYJMWIYJVNNU-ISTRZQFTSA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1ccc([C@@H](C)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000119686815 1123900997 /nfs/dbraw/zinc/90/09/97/1123900997.db2.gz FXGWKPXVVNBFKV-AWEZNQCLSA-N 0 3 255.361 3.594 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1ccc(C)cc1[O-] ZINC000794798555 1123949908 /nfs/dbraw/zinc/94/99/08/1123949908.db2.gz WFRPMZBNQDXAGW-DOTOQJQBSA-N 0 3 292.467 3.718 20 10 CHCDHN CC[C@H]([NH2+]CCOCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794799867 1123950763 /nfs/dbraw/zinc/95/07/63/1123950763.db2.gz AAJYIWILJWIKRS-SFHVURJKSA-N 0 3 299.414 3.958 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccoc1C)c1ccc(C)cc1[O-] ZINC000794805731 1123955272 /nfs/dbraw/zinc/95/52/72/1123955272.db2.gz QLUASZODFUZSEB-HNNXBMFYSA-N 0 3 259.349 3.843 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794814330 1123957141 /nfs/dbraw/zinc/95/71/41/1123957141.db2.gz CYMNHXYNXDRQSJ-FQLMCAECSA-N 0 3 277.408 3.697 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1ccc(C)cc1[O-] ZINC000794815180 1123957860 /nfs/dbraw/zinc/95/78/60/1123957860.db2.gz HYFDIRIPYBHGFN-UKPHBRMFSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccc(C)cc1[O-] ZINC000794814692 1123958304 /nfs/dbraw/zinc/95/83/04/1123958304.db2.gz HYCCHVUKPLDRPD-TZMCWYRMSA-N 0 3 258.365 3.831 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(C)cc1[O-] ZINC000794814687 1123958315 /nfs/dbraw/zinc/95/83/15/1123958315.db2.gz HYCCHVUKPLDRPD-JSGCOSHPSA-N 0 3 258.365 3.831 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccc(C)cc1[O-] ZINC000794818131 1123960555 /nfs/dbraw/zinc/96/05/55/1123960555.db2.gz QIKPQIFIZLRKFO-YCPHGPKFSA-N 0 3 277.408 3.556 20 10 CHCDHN COc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC000093149713 1123961655 /nfs/dbraw/zinc/96/16/55/1123961655.db2.gz VLJHOOUUJVUHIJ-ZDUSSCGKSA-N 0 3 283.371 3.520 20 10 CHCDHN COc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC000093149713 1123961656 /nfs/dbraw/zinc/96/16/56/1123961656.db2.gz VLJHOOUUJVUHIJ-ZDUSSCGKSA-N 0 3 283.371 3.520 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(C)cc1[O-] ZINC000866401593 1124062989 /nfs/dbraw/zinc/06/29/89/1124062989.db2.gz BEDWOIYKYSKALX-DZGCQCFKSA-N 0 3 279.449 3.885 20 10 CHCDHN CCOCc1cc(CNC2(C)CC(F)(F)C2)ccc1OC ZINC000873197915 1124750917 /nfs/dbraw/zinc/75/09/17/1124750917.db2.gz IPKAGVBSCFUKJK-UHFFFAOYSA-N 0 3 299.361 3.509 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CNc3ccccc32)c([O-])c1 ZINC000873236408 1124752651 /nfs/dbraw/zinc/75/26/51/1124752651.db2.gz HBSKRNXTQWRKNL-CABCVRRESA-N 0 3 296.414 3.951 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(OC)cc1)c1ccccc1[O-] ZINC000019907444 1124768520 /nfs/dbraw/zinc/76/85/20/1124768520.db2.gz FRCYWHJEUBNXJY-QGZVFWFLSA-N 0 3 285.387 3.684 20 10 CHCDHN CCN(C)c1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783508133 1131284917 /nfs/dbraw/zinc/28/49/17/1131284917.db2.gz GNKDHEPCZCDQCT-CQSZACIVSA-N 0 3 284.403 3.699 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)c([O-])c1 ZINC000020145208 1124809251 /nfs/dbraw/zinc/80/92/51/1124809251.db2.gz FKCDXODLXFUTFN-ZIAGYGMSSA-N 0 3 273.376 3.966 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](CCc1nccs1)C(C)C ZINC000876776256 1124977129 /nfs/dbraw/zinc/97/71/29/1124977129.db2.gz AUBUBVFQFLCGBC-UHFFFAOYSA-N 0 3 290.432 3.610 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](CCc1nccs1)C(C)C ZINC000876776256 1124977135 /nfs/dbraw/zinc/97/71/35/1124977135.db2.gz AUBUBVFQFLCGBC-UHFFFAOYSA-N 0 3 290.432 3.610 20 10 CHCDHN Cc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)c([O-])c1 ZINC000877043535 1125001619 /nfs/dbraw/zinc/00/16/19/1125001619.db2.gz LUJJVRDQCKDYDY-UHFFFAOYSA-N 0 3 273.351 3.865 20 10 CHCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000877343211 1125023916 /nfs/dbraw/zinc/02/39/16/1125023916.db2.gz VXDAANLUIBIBSB-WMLDXEAASA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000877343211 1125023923 /nfs/dbraw/zinc/02/39/23/1125023923.db2.gz VXDAANLUIBIBSB-WMLDXEAASA-N 0 3 282.387 3.679 20 10 CHCDHN Cc1cccc(O)c1CN[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000877376441 1125024182 /nfs/dbraw/zinc/02/41/82/1125024182.db2.gz SMFBNEUSTHUTRD-MRXNPFEDSA-N 0 3 299.418 3.645 20 10 CHCDHN Cc1cc(Cl)cc(CN2CC(Cc3ccco3)C2)c1O ZINC000529648399 1125029847 /nfs/dbraw/zinc/02/98/47/1125029847.db2.gz BKXPWTPHBVMAKG-UHFFFAOYSA-N 0 3 291.778 3.622 20 10 CHCDHN CCC[N@H+](CCc1ccccn1)Cc1ccc(C)cc1[O-] ZINC000877521936 1125038213 /nfs/dbraw/zinc/03/82/13/1125038213.db2.gz GMQSCCGSWQBKSS-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN CCC[N@@H+](CCc1ccccn1)Cc1ccc(C)cc1[O-] ZINC000877521936 1125038220 /nfs/dbraw/zinc/03/82/20/1125038220.db2.gz GMQSCCGSWQBKSS-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN Cc1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)c([O-])c1 ZINC000877555966 1125044376 /nfs/dbraw/zinc/04/43/76/1125044376.db2.gz HZUOVXWNPWMJCG-CYBMUJFWSA-N 0 3 269.335 3.616 20 10 CHCDHN C[C@H]([NH2+]CCCc1ccsc1)c1ccccc1[O-] ZINC000879650688 1125224508 /nfs/dbraw/zinc/22/45/08/1125224508.db2.gz NNYHSMIWRMPGJC-LBPRGKRZSA-N 0 3 261.390 3.737 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2C)c1[O-] ZINC000228666467 1125251241 /nfs/dbraw/zinc/25/12/41/1125251241.db2.gz ILXDMJHDZSHKHQ-NSHDSACASA-N 0 3 283.799 3.819 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2C)c1[O-] ZINC000228666467 1125251245 /nfs/dbraw/zinc/25/12/45/1125251245.db2.gz ILXDMJHDZSHKHQ-NSHDSACASA-N 0 3 283.799 3.819 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCC3(COC3)CC2)c([O-])c1 ZINC000883382015 1125406737 /nfs/dbraw/zinc/40/67/37/1125406737.db2.gz YEWHKDJBEOCZSO-AWEZNQCLSA-N 0 3 289.419 3.619 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1[O-] ZINC000132827530 1125423988 /nfs/dbraw/zinc/42/39/88/1125423988.db2.gz WRZODKRRTKYNDN-OAHLLOKOSA-N 0 3 275.392 3.555 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1[O-] ZINC000132827530 1125423989 /nfs/dbraw/zinc/42/39/89/1125423989.db2.gz WRZODKRRTKYNDN-OAHLLOKOSA-N 0 3 275.392 3.555 20 10 CHCDHN Cc1ccc(O)c(CN2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000245700138 1129218530 /nfs/dbraw/zinc/21/85/30/1129218530.db2.gz CZCYRQQWZGTWTL-BEFAXECRSA-N 0 3 297.398 3.663 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCc3occc31)CC2 ZINC000295901234 1129219386 /nfs/dbraw/zinc/21/93/86/1129219386.db2.gz IRFGTYZUKNYTPM-KBPBESRZSA-N 0 3 269.344 3.640 20 10 CHCDHN C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295989594 1129220939 /nfs/dbraw/zinc/22/09/39/1129220939.db2.gz NRRIJSUUFWAVEG-SWLSCSKDSA-N 0 3 271.360 3.583 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296237682 1129221136 /nfs/dbraw/zinc/22/11/36/1129221136.db2.gz APXKFXPAMUNGCB-WBMJQRKESA-N 0 3 283.371 3.739 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCCCC2)c([O-])c1 ZINC000184847719 1129256400 /nfs/dbraw/zinc/25/64/00/1129256400.db2.gz GMNLIXWSFBXWLO-HNNXBMFYSA-N 0 3 290.451 3.616 20 10 CHCDHN CCOc1ccc(C[NH2+]C2(C)CCC(C)CC2)c([O-])c1 ZINC000734844864 1129324485 /nfs/dbraw/zinc/32/44/85/1129324485.db2.gz ZKLOPDGPTQOMBT-UHFFFAOYSA-N 0 3 277.408 3.849 20 10 CHCDHN C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000248394046 1129416533 /nfs/dbraw/zinc/41/65/33/1129416533.db2.gz XSSFRKFGOUIHHY-HZPDHXFCSA-N 0 3 298.430 3.563 20 10 CHCDHN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000248546881 1129420967 /nfs/dbraw/zinc/42/09/67/1129420967.db2.gz FWPZYJXBHUORFR-KMFMINBZSA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccccc2C)c([O-])c1 ZINC000094182846 1129441736 /nfs/dbraw/zinc/44/17/36/1129441736.db2.gz ZOILZAWCGDDQGZ-HNNXBMFYSA-N 0 3 269.388 3.902 20 10 CHCDHN c1cncc([C@@H](NCc2ccc3c(c2)CCO3)C2CCC2)c1 ZINC000795788407 1129447621 /nfs/dbraw/zinc/44/76/21/1129447621.db2.gz LDCXXGNXXIQJCG-IBGZPJMESA-N 0 3 294.398 3.648 20 10 CHCDHN c1cncc([C@H](NCc2ccc3c(c2)CCO3)C2CCC2)c1 ZINC000795788408 1129447690 /nfs/dbraw/zinc/44/76/90/1129447690.db2.gz LDCXXGNXXIQJCG-LJQANCHMSA-N 0 3 294.398 3.648 20 10 CHCDHN CC[C@H](O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000742374115 1129475451 /nfs/dbraw/zinc/47/54/51/1129475451.db2.gz YUWWCSIRKSLWJV-SFHVURJKSA-N 0 3 299.414 3.700 20 10 CHCDHN CCC[N@H+](Cc1cccc(OC)c1)Cc1ccccc1[O-] ZINC000743870598 1129542326 /nfs/dbraw/zinc/54/23/26/1129542326.db2.gz YQTZYTSWPDLHCJ-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN CCC[N@@H+](Cc1cccc(OC)c1)Cc1ccccc1[O-] ZINC000743870598 1129542329 /nfs/dbraw/zinc/54/23/29/1129542329.db2.gz YQTZYTSWPDLHCJ-UHFFFAOYSA-N 0 3 285.387 3.813 20 10 CHCDHN C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000796481217 1129741957 /nfs/dbraw/zinc/74/19/57/1129741957.db2.gz CPDZBNWHUZWOHS-DYVFJYSZSA-N 0 3 299.439 3.900 20 10 CHCDHN CCCC[N@H+](Cc1cccc(OCC)c1[O-])C1CC1 ZINC000768291961 1129849619 /nfs/dbraw/zinc/84/96/19/1129849619.db2.gz SLTKGYWGMNKCSL-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CCCC[N@@H+](Cc1cccc(OCC)c1[O-])C1CC1 ZINC000768291961 1129849628 /nfs/dbraw/zinc/84/96/28/1129849628.db2.gz SLTKGYWGMNKCSL-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+](C)CCCc2ccccc2)c1[O-] ZINC000768335960 1129850697 /nfs/dbraw/zinc/85/06/97/1129850697.db2.gz CMDADXIUBCELIB-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)CCCc2ccccc2)c1[O-] ZINC000768335960 1129850703 /nfs/dbraw/zinc/85/07/03/1129850703.db2.gz CMDADXIUBCELIB-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C)CO1 ZINC000768536268 1129861788 /nfs/dbraw/zinc/86/17/88/1129861788.db2.gz GXYXNOKJJIAITC-GJZGRUSLSA-N 0 3 297.398 3.668 20 10 CHCDHN C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769103996 1129890533 /nfs/dbraw/zinc/89/05/33/1129890533.db2.gz VIOIBAGCBHSSOV-AWEZNQCLSA-N 0 3 267.372 3.901 20 10 CHCDHN C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000769103996 1129890536 /nfs/dbraw/zinc/89/05/36/1129890536.db2.gz VIOIBAGCBHSSOV-AWEZNQCLSA-N 0 3 267.372 3.901 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000769234908 1129897489 /nfs/dbraw/zinc/89/74/89/1129897489.db2.gz YSBXMZNBCFHIEU-OAHLLOKOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000769234908 1129897493 /nfs/dbraw/zinc/89/74/93/1129897493.db2.gz YSBXMZNBCFHIEU-OAHLLOKOSA-N 0 3 297.398 3.699 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(C)s2)c([O-])c1 ZINC000769315368 1129901878 /nfs/dbraw/zinc/90/18/78/1129901878.db2.gz ACFTUOSLQNOUJC-UHFFFAOYSA-N 0 3 291.416 3.793 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(C)s2)c([O-])c1 ZINC000769315368 1129901882 /nfs/dbraw/zinc/90/18/82/1129901882.db2.gz ACFTUOSLQNOUJC-UHFFFAOYSA-N 0 3 291.416 3.793 20 10 CHCDHN CCOc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000769403309 1129906687 /nfs/dbraw/zinc/90/66/87/1129906687.db2.gz BUHGTQJVKLJULG-KEYYUXOJSA-N 0 3 289.419 3.944 20 10 CHCDHN CCOc1ccc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000769403309 1129906690 /nfs/dbraw/zinc/90/66/90/1129906690.db2.gz BUHGTQJVKLJULG-KEYYUXOJSA-N 0 3 289.419 3.944 20 10 CHCDHN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c([O-])cccc1OC ZINC000769428370 1129908183 /nfs/dbraw/zinc/90/81/83/1129908183.db2.gz QSAGFZQVFCETSV-QGZVFWFLSA-N 0 3 297.398 3.910 20 10 CHCDHN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])cccc1OC ZINC000769428370 1129908185 /nfs/dbraw/zinc/90/81/85/1129908185.db2.gz QSAGFZQVFCETSV-QGZVFWFLSA-N 0 3 297.398 3.910 20 10 CHCDHN C[C@H]1COCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769458410 1129911879 /nfs/dbraw/zinc/91/18/79/1129911879.db2.gz TZTWSWGXCKPUQV-HNNXBMFYSA-N 0 3 297.398 3.670 20 10 CHCDHN C[C@H]1COCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769458410 1129911881 /nfs/dbraw/zinc/91/18/81/1129911881.db2.gz TZTWSWGXCKPUQV-HNNXBMFYSA-N 0 3 297.398 3.670 20 10 CHCDHN Cc1ccc(O)c(CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000769507728 1129914570 /nfs/dbraw/zinc/91/45/70/1129914570.db2.gz NVSJRCYORKDNTK-INIZCTEOSA-N 0 3 271.335 3.787 20 10 CHCDHN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000769549026 1129917187 /nfs/dbraw/zinc/91/71/87/1129917187.db2.gz JUWGXIWUTIPHAI-QWHCGFSZSA-N 0 3 295.448 3.507 20 10 CHCDHN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000769549026 1129917188 /nfs/dbraw/zinc/91/71/88/1129917188.db2.gz JUWGXIWUTIPHAI-QWHCGFSZSA-N 0 3 295.448 3.507 20 10 CHCDHN Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000770511072 1129948769 /nfs/dbraw/zinc/94/87/69/1129948769.db2.gz YNEAYWPJKHTKAJ-OAHLLOKOSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770511072 1129948772 /nfs/dbraw/zinc/94/87/72/1129948772.db2.gz YNEAYWPJKHTKAJ-OAHLLOKOSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000770511069 1129948866 /nfs/dbraw/zinc/94/88/66/1129948866.db2.gz YMPADPNIKMPOTQ-HNNXBMFYSA-N 0 3 269.388 3.764 20 10 CHCDHN Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000770511069 1129948867 /nfs/dbraw/zinc/94/88/67/1129948867.db2.gz YMPADPNIKMPOTQ-HNNXBMFYSA-N 0 3 269.388 3.764 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000770742183 1129958432 /nfs/dbraw/zinc/95/84/32/1129958432.db2.gz RRHZMFLPGBVBOJ-UHFFFAOYSA-N 0 3 285.362 3.644 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)c(C)n1 ZINC000771370722 1129978057 /nfs/dbraw/zinc/97/80/57/1129978057.db2.gz NXRZPXCANDSNOH-AWEZNQCLSA-N 0 3 283.419 3.615 20 10 CHCDHN CC[C@]1(C)CN(Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000785512781 1130037877 /nfs/dbraw/zinc/03/78/77/1130037877.db2.gz UKTJXCXAJATXFN-GOSISDBHSA-N 0 3 291.435 3.825 20 10 CHCDHN CC1(C)C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCS1 ZINC000903281819 1130145343 /nfs/dbraw/zinc/14/53/43/1130145343.db2.gz INEIOACEPDDKKQ-CHWSQXEVSA-N 0 3 277.433 3.643 20 10 CHCDHN C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cc(F)ccc1[O-] ZINC000903323841 1130154464 /nfs/dbraw/zinc/15/44/64/1130154464.db2.gz LREIHRFQYRPVEN-FFLHNBHYSA-N 0 3 293.382 3.530 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)C(C)(C)OC)c1ccc(C)cc1[O-] ZINC000903331434 1130158038 /nfs/dbraw/zinc/15/80/38/1130158038.db2.gz NKVFDZSRPHRVEP-OCCSQVGLSA-N 0 3 265.397 3.555 20 10 CHCDHN COc1cccc([C@@H](C)N[C@H](c2ccccn2)C2CC2)c1O ZINC000903335281 1130160800 /nfs/dbraw/zinc/16/08/00/1130160800.db2.gz NJLGPUAOJORIRM-PXAZEXFGSA-N 0 3 298.386 3.598 20 10 CHCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1cnn(CC2CCC2)c1 ZINC000903403631 1130171620 /nfs/dbraw/zinc/17/16/20/1130171620.db2.gz DJDDPKZESQFBKW-ZIAGYGMSSA-N 0 3 299.418 3.801 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](c2ccncc2)C2CC2)c([O-])c1 ZINC000903430342 1130176749 /nfs/dbraw/zinc/17/67/49/1130176749.db2.gz YVRZPRCEBZMVLC-UGSOOPFHSA-N 0 3 282.387 3.898 20 10 CHCDHN CCC(O)(CC)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000788264500 1130180547 /nfs/dbraw/zinc/18/05/47/1130180547.db2.gz XYVMVAGNGABYNH-AAEUAGOBSA-N 0 3 295.398 3.610 20 10 CHCDHN C[C@@H]1C[C@@H]1C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000788444036 1130186919 /nfs/dbraw/zinc/18/69/19/1130186919.db2.gz WOYVJIFKGLJCDY-UKRRQHHQSA-N 0 3 271.360 3.643 20 10 CHCDHN C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000788444036 1130186920 /nfs/dbraw/zinc/18/69/20/1130186920.db2.gz WOYVJIFKGLJCDY-UKRRQHHQSA-N 0 3 271.360 3.643 20 10 CHCDHN CSC1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000788604471 1130197412 /nfs/dbraw/zinc/19/74/12/1130197412.db2.gz AUQDBBVFBAGDDV-JQWIXIFHSA-N 0 3 295.423 3.955 20 10 CHCDHN COc1c2ccccc2oc1CN[C@@H](C)c1ccccc1O ZINC000788982684 1130225011 /nfs/dbraw/zinc/22/50/11/1130225011.db2.gz YICGGDUODDXKDP-LBPRGKRZSA-N 0 3 297.354 3.998 20 10 CHCDHN CN(C)/C=C/c1ccncc1-c1ccc2ccn(C)c2c1 ZINC001240577648 1130370398 /nfs/dbraw/zinc/37/03/98/1130370398.db2.gz ZNMMCIVEZRTUOG-JXMROGBWSA-N 0 3 277.371 3.773 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CC1(F)CC1)C1CCCC1 ZINC000792821013 1130501218 /nfs/dbraw/zinc/50/12/18/1130501218.db2.gz RVTUNVVIYPAPBR-UHFFFAOYSA-N 0 3 263.356 3.639 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCC(C)(C)C1 ZINC000793353340 1130543264 /nfs/dbraw/zinc/54/32/64/1130543264.db2.gz SAAIMCSGRBKDPU-ZDUSSCGKSA-N 0 3 251.345 3.542 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCC(C)(C)C1 ZINC000793353340 1130543268 /nfs/dbraw/zinc/54/32/68/1130543268.db2.gz SAAIMCSGRBKDPU-ZDUSSCGKSA-N 0 3 251.345 3.542 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+](CC1CC1)CC1CCC1 ZINC000793391349 1130552084 /nfs/dbraw/zinc/55/20/84/1130552084.db2.gz VUNCRFNJRHVCHU-UHFFFAOYSA-N 0 3 263.356 3.543 20 10 CHCDHN COc1ccc(C[NH2+]C/C(C)=C\c2ccccc2)c([O-])c1 ZINC000793387332 1130552294 /nfs/dbraw/zinc/55/22/94/1130552294.db2.gz DFOLRMXQKNJGMK-UVTDQMKNSA-N 0 3 283.371 3.594 20 10 CHCDHN COc1ccc(C[NH2+]C2CCC3(CCCC3)CC2)c([O-])c1 ZINC000811499158 1130612700 /nfs/dbraw/zinc/61/27/00/1130612700.db2.gz JXHMNYQKZVQVQC-UHFFFAOYSA-N 0 3 289.419 3.993 20 10 CHCDHN CN(C)c1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1F ZINC000758633863 1130619929 /nfs/dbraw/zinc/61/99/29/1130619929.db2.gz ZBOASKCKNKILOJ-GOSISDBHSA-N 0 3 299.393 3.528 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)CC34CC4)c2c1 ZINC001234569095 1130657171 /nfs/dbraw/zinc/65/71/71/1130657171.db2.gz JKSDPEJJTFIHHF-CYBMUJFWSA-N 0 3 297.398 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)CC34CC4)c2c1 ZINC001234569095 1130657176 /nfs/dbraw/zinc/65/71/76/1130657176.db2.gz JKSDPEJJTFIHHF-CYBMUJFWSA-N 0 3 297.398 3.928 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]4C[C@H]43)c2c1 ZINC001234569103 1130657386 /nfs/dbraw/zinc/65/73/86/1130657386.db2.gz JLRATOMLBNDMDK-SUMWQHHRSA-N 0 3 283.371 3.538 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]4C[C@H]43)c2c1 ZINC001234569103 1130657388 /nfs/dbraw/zinc/65/73/88/1130657388.db2.gz JLRATOMLBNDMDK-SUMWQHHRSA-N 0 3 283.371 3.538 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1F ZINC001234992440 1130699769 /nfs/dbraw/zinc/69/97/69/1130699769.db2.gz OYYJHPVMOJYVHT-DYVFJYSZSA-N 0 3 285.362 3.849 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1F ZINC001234992440 1130699772 /nfs/dbraw/zinc/69/97/72/1130699772.db2.gz OYYJHPVMOJYVHT-DYVFJYSZSA-N 0 3 285.362 3.849 20 10 CHCDHN CC(C)(C)c1ccc(CN2CCc3cnccc3C2)c(O)c1 ZINC001235675975 1130766255 /nfs/dbraw/zinc/76/62/55/1130766255.db2.gz NIEZJIJNKQLLBY-UHFFFAOYSA-N 0 3 296.414 3.643 20 10 CHCDHN CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235679571 1130767574 /nfs/dbraw/zinc/76/75/74/1130767574.db2.gz PPILRLYJIZFTMT-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235679571 1130767579 /nfs/dbraw/zinc/76/75/79/1130767579.db2.gz PPILRLYJIZFTMT-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC001235680564 1130768509 /nfs/dbraw/zinc/76/85/09/1130768509.db2.gz WDWWSLZFFTXFBG-GASCZTMLSA-N 0 3 273.420 3.778 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC001235680564 1130768513 /nfs/dbraw/zinc/76/85/13/1130768513.db2.gz WDWWSLZFFTXFBG-GASCZTMLSA-N 0 3 273.420 3.778 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C(C)C)C2)c1[O-] ZINC000694463591 1130787276 /nfs/dbraw/zinc/78/72/76/1130787276.db2.gz VWOPHVANLJWWOV-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C(C)C)C2)c1[O-] ZINC000694463591 1130787280 /nfs/dbraw/zinc/78/72/80/1130787280.db2.gz VWOPHVANLJWWOV-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN COCC(C)(C)[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000814178409 1130835756 /nfs/dbraw/zinc/83/57/56/1130835756.db2.gz OZMUHYBZSSYWPG-UHFFFAOYSA-N 0 3 299.414 3.916 20 10 CHCDHN COCC(C)(C)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000814178409 1130835765 /nfs/dbraw/zinc/83/57/65/1130835765.db2.gz OZMUHYBZSSYWPG-UHFFFAOYSA-N 0 3 299.414 3.916 20 10 CHCDHN CC[C@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1[O-] ZINC000784266625 1130894378 /nfs/dbraw/zinc/89/43/78/1130894378.db2.gz WNLVFORKHDPFJW-HNNXBMFYSA-N 0 3 291.341 3.954 20 10 CHCDHN C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccccc1[O-] ZINC000796745661 1130928178 /nfs/dbraw/zinc/92/81/78/1130928178.db2.gz RNJBWINFEHTANE-GFCCVEGCSA-N 0 3 291.341 3.781 20 10 CHCDHN CCC[N@H+](CCC1(OC)CCC1)Cc1ccccc1[O-] ZINC000815055395 1130952860 /nfs/dbraw/zinc/95/28/60/1130952860.db2.gz ZAKSJAQUSPBEMX-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN CCC[N@@H+](CCC1(OC)CCC1)Cc1ccccc1[O-] ZINC000815055395 1130952865 /nfs/dbraw/zinc/95/28/65/1130952865.db2.gz ZAKSJAQUSPBEMX-UHFFFAOYSA-N 0 3 277.408 3.563 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000797061392 1130957696 /nfs/dbraw/zinc/95/76/96/1130957696.db2.gz PXCASXXCQVZULN-DKSSEZFCSA-N 0 3 299.414 3.863 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c([O-])c1 ZINC000815585902 1131003547 /nfs/dbraw/zinc/00/35/47/1131003547.db2.gz VEWCKJQDXQSDRF-QILLFSRXSA-N 0 3 291.435 3.601 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCc3ccccc3C2)c([O-])c1 ZINC001236783981 1131006986 /nfs/dbraw/zinc/00/69/86/1131006986.db2.gz QPLPLPIBKZXZMC-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN CCc1ccc(C[N@H+]2CCc3ccccc3C2)c([O-])c1 ZINC001236783981 1131006989 /nfs/dbraw/zinc/00/69/89/1131006989.db2.gz QPLPLPIBKZXZMC-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN CCc1ccc(C[N@H+](C)CC/C=C/c2cccnc2)c([O-])c1 ZINC001236792309 1131008180 /nfs/dbraw/zinc/00/81/80/1131008180.db2.gz OQPCANJBRWIMEN-QPJJXVBHSA-N 0 3 296.414 3.885 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CC/C=C/c2cccnc2)c([O-])c1 ZINC001236792309 1131008186 /nfs/dbraw/zinc/00/81/86/1131008186.db2.gz OQPCANJBRWIMEN-QPJJXVBHSA-N 0 3 296.414 3.885 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)Cc2ccccc2C)c([O-])c1 ZINC001236812424 1131011378 /nfs/dbraw/zinc/01/13/78/1131011378.db2.gz FFMAMDSWQJPIQE-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)Cc2ccccc2C)c([O-])c1 ZINC001236812424 1131011383 /nfs/dbraw/zinc/01/13/83/1131011383.db2.gz FFMAMDSWQJPIQE-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COC1(CC[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000815642154 1131013855 /nfs/dbraw/zinc/01/38/55/1131013855.db2.gz UBIDJBWPIZTOGE-DGCLKSJQSA-N 0 3 293.382 3.628 20 10 CHCDHN CC1(C)CCC[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236826473 1131016127 /nfs/dbraw/zinc/01/61/27/1131016127.db2.gz KMRMEQWUVBFMKB-UHFFFAOYSA-N 0 3 255.361 3.920 20 10 CHCDHN CC1(C)CCC[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236826473 1131016131 /nfs/dbraw/zinc/01/61/31/1131016131.db2.gz KMRMEQWUVBFMKB-UHFFFAOYSA-N 0 3 255.361 3.920 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccccc1[O-] ZINC000815648120 1131016401 /nfs/dbraw/zinc/01/64/01/1131016401.db2.gz FDCQXESLDYQXHA-WBVHZDCISA-N 0 3 291.435 3.622 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001236828079 1131017063 /nfs/dbraw/zinc/01/70/63/1131017063.db2.gz ZSQDKUSRMUIAKK-IFXJQAMLSA-N 0 3 297.398 3.546 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001236828079 1131017074 /nfs/dbraw/zinc/01/70/74/1131017074.db2.gz ZSQDKUSRMUIAKK-IFXJQAMLSA-N 0 3 297.398 3.546 20 10 CHCDHN CC(C)O[C@H]1CC[N@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835280 1131018984 /nfs/dbraw/zinc/01/89/84/1131018984.db2.gz GGHOKLJCPCIQFR-KRWDZBQOSA-N 0 3 285.387 3.545 20 10 CHCDHN CC(C)O[C@H]1CC[N@@H+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236835280 1131018985 /nfs/dbraw/zinc/01/89/85/1131018985.db2.gz GGHOKLJCPCIQFR-KRWDZBQOSA-N 0 3 285.387 3.545 20 10 CHCDHN CN(C)c1ccc(CNc2ccnc3ccccc32)cc1 ZINC000217656628 1131022443 /nfs/dbraw/zinc/02/24/43/1131022443.db2.gz RUZNOWKITYDKKX-UHFFFAOYSA-N 0 3 277.371 3.913 20 10 CHCDHN C[N@H+](Cc1ccc(F)c2ccoc21)Cc1ccccc1[O-] ZINC001236898317 1131029116 /nfs/dbraw/zinc/02/91/16/1131029116.db2.gz MANMFZXKMOISQX-UHFFFAOYSA-N 0 3 285.318 3.910 20 10 CHCDHN C[N@@H+](Cc1ccc(F)c2ccoc21)Cc1ccccc1[O-] ZINC001236898317 1131029122 /nfs/dbraw/zinc/02/91/22/1131029122.db2.gz MANMFZXKMOISQX-UHFFFAOYSA-N 0 3 285.318 3.910 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001237046578 1131041153 /nfs/dbraw/zinc/04/11/53/1131041153.db2.gz UCWYONIQVHLOJI-WMZOPIPTSA-N 0 3 289.419 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([O-])c1 ZINC001237046578 1131041161 /nfs/dbraw/zinc/04/11/61/1131041161.db2.gz UCWYONIQVHLOJI-WMZOPIPTSA-N 0 3 289.419 3.517 20 10 CHCDHN CCOc1ccc(C[N@@H+]2CCCC3(CCC3)C2)c([O-])c1 ZINC001237047496 1131041333 /nfs/dbraw/zinc/04/13/33/1131041333.db2.gz ZBTMYYYYOKQTTJ-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN CCOc1ccc(C[N@H+]2CCCC3(CCC3)C2)c([O-])c1 ZINC001237047496 1131041338 /nfs/dbraw/zinc/04/13/38/1131041338.db2.gz ZBTMYYYYOKQTTJ-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CCC(n3cccn3)CC2)c([O-])c1 ZINC001237055933 1131042176 /nfs/dbraw/zinc/04/21/76/1131042176.db2.gz SJZFSPMNTHMVRP-UHFFFAOYSA-N 0 3 299.418 3.549 20 10 CHCDHN CC1(C)CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237135053 1131056400 /nfs/dbraw/zinc/05/64/00/1131056400.db2.gz FYWBCWYXXJOXRK-UHFFFAOYSA-N 0 3 273.298 3.785 20 10 CHCDHN CC1(C)CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237135053 1131056404 /nfs/dbraw/zinc/05/64/04/1131056404.db2.gz FYWBCWYXXJOXRK-UHFFFAOYSA-N 0 3 273.298 3.785 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCc2sccc2C1 ZINC000779013084 1131097165 /nfs/dbraw/zinc/09/71/65/1131097165.db2.gz FXKMLBAXUZUOKF-UHFFFAOYSA-N 0 3 277.364 3.541 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCc2sccc2C1 ZINC000779013084 1131097170 /nfs/dbraw/zinc/09/71/70/1131097170.db2.gz FXKMLBAXUZUOKF-UHFFFAOYSA-N 0 3 277.364 3.541 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237484327 1131105170 /nfs/dbraw/zinc/10/51/70/1131105170.db2.gz BOIGRVICZYHWAY-MRXNPFEDSA-N 0 3 267.372 3.690 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237484327 1131105174 /nfs/dbraw/zinc/10/51/74/1131105174.db2.gz BOIGRVICZYHWAY-MRXNPFEDSA-N 0 3 267.372 3.690 20 10 CHCDHN CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000799728932 1131105540 /nfs/dbraw/zinc/10/55/40/1131105540.db2.gz GOWSUFYEIJDJSZ-ZRQNBYAXSA-N 0 3 293.382 3.627 20 10 CHCDHN CC(C)N1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816531520 1131105710 /nfs/dbraw/zinc/10/57/10/1131105710.db2.gz UTMLJAGCAIWHSX-UHFFFAOYSA-N 0 3 298.430 3.508 20 10 CHCDHN Cc1ccnc2cccc(C[N@H+](C)Cc3ccccc3[O-])c12 ZINC001237628311 1131121043 /nfs/dbraw/zinc/12/10/43/1131121043.db2.gz FFFVKMGXVSDZPN-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1ccnc2cccc(C[N@@H+](C)Cc3ccccc3[O-])c12 ZINC001237628311 1131121047 /nfs/dbraw/zinc/12/10/47/1131121047.db2.gz FFFVKMGXVSDZPN-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CC(c3ccccc3)C2)c1[O-] ZINC001237687141 1131126579 /nfs/dbraw/zinc/12/65/79/1131126579.db2.gz RHMMNSIFSIHFOX-UHFFFAOYSA-N 0 3 287.790 3.953 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C)(C)CC2)c1[O-] ZINC001237686177 1131126620 /nfs/dbraw/zinc/12/66/20/1131126620.db2.gz FYSBMNLKUXSXCJ-UHFFFAOYSA-N 0 3 267.800 3.976 20 10 CHCDHN CCCC[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237676531 1131126641 /nfs/dbraw/zinc/12/66/41/1131126641.db2.gz KIUWUXWSCOIOFX-UHFFFAOYSA-N 0 3 286.213 3.695 20 10 CHCDHN CCCC[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237676531 1131126644 /nfs/dbraw/zinc/12/66/44/1131126644.db2.gz KIUWUXWSCOIOFX-UHFFFAOYSA-N 0 3 286.213 3.695 20 10 CHCDHN CCC(CC)[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC001237687151 1131127160 /nfs/dbraw/zinc/12/71/60/1131127160.db2.gz ROBBQMCJNMEBCN-UHFFFAOYSA-N 0 3 255.789 3.974 20 10 CHCDHN CCC(CC)[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC001237687151 1131127163 /nfs/dbraw/zinc/12/71/63/1131127163.db2.gz ROBBQMCJNMEBCN-UHFFFAOYSA-N 0 3 255.789 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC001237687800 1131127939 /nfs/dbraw/zinc/12/79/39/1131127939.db2.gz VHTMLUWJEUIEBP-CMPLNLGQSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC001237687800 1131127942 /nfs/dbraw/zinc/12/79/42/1131127942.db2.gz VHTMLUWJEUIEBP-CMPLNLGQSA-N 0 3 267.800 3.974 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C(C)C)C2CCOCC2)c1[O-] ZINC001237691155 1131128092 /nfs/dbraw/zinc/12/80/92/1131128092.db2.gz YCKZMYRYLSDHNY-UHFFFAOYSA-N 0 3 297.826 3.743 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C(C)C)C2CCOCC2)c1[O-] ZINC001237691155 1131128095 /nfs/dbraw/zinc/12/80/95/1131128095.db2.gz YCKZMYRYLSDHNY-UHFFFAOYSA-N 0 3 297.826 3.743 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCCc3ccccc3C2)c1[O-] ZINC001238063351 1131166280 /nfs/dbraw/zinc/16/62/80/1131166280.db2.gz VXZLHMKWPGCEFE-UHFFFAOYSA-N 0 3 285.362 3.788 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCCc3ccccc3C2)c1[O-] ZINC001238063351 1131166282 /nfs/dbraw/zinc/16/62/82/1131166282.db2.gz VXZLHMKWPGCEFE-UHFFFAOYSA-N 0 3 285.362 3.788 20 10 CHCDHN CCC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C)c1[O-] ZINC001238063548 1131166399 /nfs/dbraw/zinc/16/63/99/1131166399.db2.gz YKZYKOUJZOEFAS-HNNXBMFYSA-N 0 3 265.372 3.994 20 10 CHCDHN CCC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C)c1[O-] ZINC001238063548 1131166404 /nfs/dbraw/zinc/16/64/04/1131166404.db2.gz YKZYKOUJZOEFAS-HNNXBMFYSA-N 0 3 265.372 3.994 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1[O-] ZINC001238061878 1131166775 /nfs/dbraw/zinc/16/67/75/1131166775.db2.gz KSDAKFHEIALTAQ-MRXNPFEDSA-N 0 3 299.389 3.904 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1[O-] ZINC001238061878 1131166779 /nfs/dbraw/zinc/16/67/79/1131166779.db2.gz KSDAKFHEIALTAQ-MRXNPFEDSA-N 0 3 299.389 3.904 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCCC3(CCCC3)C2)c1[O-] ZINC001238063955 1131167016 /nfs/dbraw/zinc/16/70/16/1131167016.db2.gz NCIKCJQIXMKUDU-UHFFFAOYSA-N 0 3 277.383 3.996 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCCC3(CCCC3)C2)c1[O-] ZINC001238063955 1131167019 /nfs/dbraw/zinc/16/70/19/1131167019.db2.gz NCIKCJQIXMKUDU-UHFFFAOYSA-N 0 3 277.383 3.996 20 10 CHCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1[O-] ZINC001238069693 1131168757 /nfs/dbraw/zinc/16/87/57/1131168757.db2.gz KAXIYYNWXGOALC-AWEZNQCLSA-N 0 3 295.373 3.944 20 10 CHCDHN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc(C)n1 ZINC000817589531 1131174273 /nfs/dbraw/zinc/17/42/73/1131174273.db2.gz ODGAALNKVRDCLT-OAHLLOKOSA-N 0 3 283.419 3.615 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1ccc(C)cc1[O-] ZINC000817587672 1131174350 /nfs/dbraw/zinc/17/43/50/1131174350.db2.gz ZZIZLQHSAPLURG-IIAWOOMASA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCO1 ZINC000817586760 1131174357 /nfs/dbraw/zinc/17/43/57/1131174357.db2.gz SBNQVSMDPPNXED-HKUMRIAESA-N 0 3 293.382 3.627 20 10 CHCDHN CC[C@@H]([NH2+]CC(N)(CC)CC)c1cccc(Cl)c1[O-] ZINC000817959695 1131191583 /nfs/dbraw/zinc/19/15/83/1131191583.db2.gz GRTYGHPMEMJUPL-CYBMUJFWSA-N 0 3 284.831 3.604 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C/C=C/C2CC2)c1[O-] ZINC001117712580 1131193597 /nfs/dbraw/zinc/19/35/97/1131193597.db2.gz IONZZEULGNRRNF-UFFNRZRYSA-N 0 3 265.784 3.971 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C/C=C\C2CC2)c1[O-] ZINC001117712576 1131193798 /nfs/dbraw/zinc/19/37/98/1131193798.db2.gz IONZZEULGNRRNF-BYCRGOAPSA-N 0 3 265.784 3.971 20 10 CHCDHN Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817967378 1131193935 /nfs/dbraw/zinc/19/39/35/1131193935.db2.gz GVHNMQCJERUMPH-SJORKVTESA-N 0 3 294.398 3.629 20 10 CHCDHN Cc1cc(CN2CCSCC2)c(C)n1-c1ccccc1 ZINC001137856118 1131424451 /nfs/dbraw/zinc/42/44/51/1131424451.db2.gz QXDDONOEJJETFB-UHFFFAOYSA-N 0 3 286.444 3.643 20 10 CHCDHN Oc1ccccc1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000823753584 1131440817 /nfs/dbraw/zinc/44/08/17/1131440817.db2.gz WVOBBCFZJGDAFM-LBPRGKRZSA-N 0 3 293.288 3.587 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000824469042 1131471406 /nfs/dbraw/zinc/47/14/06/1131471406.db2.gz VMFAOOFAEBMFKQ-INIZCTEOSA-N 0 3 289.325 3.838 20 10 CHCDHN Cc1cc([C@@H](C)[NH2+]Cc2ccccc2[O-])ccc1F ZINC000824548153 1131476434 /nfs/dbraw/zinc/47/64/34/1131476434.db2.gz AQMRJZFXWCKNTB-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@H](CCCCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824653454 1131478471 /nfs/dbraw/zinc/47/84/71/1131478471.db2.gz BJEIBVGHLWKWET-OAHLLOKOSA-N 0 3 299.414 3.700 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000824683446 1131480210 /nfs/dbraw/zinc/48/02/10/1131480210.db2.gz JUORPTDCPKGAMQ-CQSZACIVSA-N 0 3 297.398 3.859 20 10 CHCDHN CC[N@H+](Cc1ccc2cccnc2c1)Cc1ccccc1[O-] ZINC001139171271 1131591471 /nfs/dbraw/zinc/59/14/71/1131591471.db2.gz PVTINBRXUBREKU-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccc2cccnc2c1)Cc1ccccc1[O-] ZINC001139171271 1131591475 /nfs/dbraw/zinc/59/14/75/1131591475.db2.gz PVTINBRXUBREKU-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN C[N@H+](Cc1ccc2cc(O)ccc2c1)Cc1ccccc1[O-] ZINC001139342793 1131603127 /nfs/dbraw/zinc/60/31/27/1131603127.db2.gz UPVSLFPMMUIXHY-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@@H+](Cc1ccc2cc(O)ccc2c1)Cc1ccccc1[O-] ZINC001139342793 1131603129 /nfs/dbraw/zinc/60/31/29/1131603129.db2.gz UPVSLFPMMUIXHY-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccccc1[O-] ZINC000844924560 1131608198 /nfs/dbraw/zinc/60/81/98/1131608198.db2.gz LXAIIQXBMWQGMY-HOCLYGCPSA-N 0 3 296.414 3.860 20 10 CHCDHN CCc1cccc(C[N@@H+](CC)Cc2ccccc2[O-])c1 ZINC001144326880 1131619626 /nfs/dbraw/zinc/61/96/26/1131619626.db2.gz YKQMYLRLZGLOAS-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN CCc1cccc(C[N@H+](CC)Cc2ccccc2[O-])c1 ZINC001144326880 1131619629 /nfs/dbraw/zinc/61/96/29/1131619629.db2.gz YKQMYLRLZGLOAS-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN CN(Cc1cc2ccccc2cn1)Cc1ccccc1O ZINC001140000408 1131655788 /nfs/dbraw/zinc/65/57/88/1131655788.db2.gz GGNRXJAPYWZCBE-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN Cc1ccc(C)c(CN(C)Cc2ccccc2F)c1O ZINC001140179747 1131673306 /nfs/dbraw/zinc/67/33/06/1131673306.db2.gz OCQYBUKRTMJQIV-UHFFFAOYSA-N 0 3 273.351 3.780 20 10 CHCDHN COc1cccc(CNCc2ccc(C)cc2Cl)c1O ZINC000845969495 1131673392 /nfs/dbraw/zinc/67/33/92/1131673392.db2.gz FFWVEHHSRFVPAW-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834526338 1131682049 /nfs/dbraw/zinc/68/20/49/1131682049.db2.gz GYKOGXZEJWQVAM-MLGOLLRUSA-N 0 3 285.362 3.739 20 10 CHCDHN CCN(C)c1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834575507 1131684105 /nfs/dbraw/zinc/68/41/05/1131684105.db2.gz LUITYOSYFLKXBE-MRXNPFEDSA-N 0 3 296.414 3.625 20 10 CHCDHN CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000834581914 1131684823 /nfs/dbraw/zinc/68/48/23/1131684823.db2.gz QYKSPHGAFFMKNU-IUODEOHRSA-N 0 3 285.391 3.508 20 10 CHCDHN Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)o1 ZINC000834602547 1131686585 /nfs/dbraw/zinc/68/65/85/1131686585.db2.gz RYACVLIHSJGXFS-WBMJQRKESA-N 0 3 285.387 3.892 20 10 CHCDHN Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCc3cccc([O-])c32)o1 ZINC000834602544 1131686817 /nfs/dbraw/zinc/68/68/17/1131686817.db2.gz RYACVLIHSJGXFS-LRDDRELGSA-N 0 3 285.387 3.892 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)CC2 ZINC000834668719 1131692548 /nfs/dbraw/zinc/69/25/48/1131692548.db2.gz NPXIEZDEVQWONS-BBWFWOEESA-N 0 3 279.383 3.600 20 10 CHCDHN COc1cccc([C@@H](C)NCc2ccccc2Cl)c1O ZINC000846136704 1131694058 /nfs/dbraw/zinc/69/40/58/1131694058.db2.gz JOYAILSYOZLGPL-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CC(C)CSCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834692940 1131694231 /nfs/dbraw/zinc/69/42/31/1131694231.db2.gz JMEFQVDNGZHOOX-AWEZNQCLSA-N 0 3 279.449 3.748 20 10 CHCDHN CCc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000846208725 1131695990 /nfs/dbraw/zinc/69/59/90/1131695990.db2.gz KASQHXDDMVQOCM-LBPRGKRZSA-N 0 3 273.351 3.945 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1OC)c1ccc(C)cc1[O-] ZINC000846201038 1131700006 /nfs/dbraw/zinc/70/00/06/1131700006.db2.gz INVNABVUUOAAHR-ZMSDIMECSA-N 0 3 277.408 3.699 20 10 CHCDHN COC1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCCC1 ZINC000834814517 1131707926 /nfs/dbraw/zinc/70/79/26/1131707926.db2.gz LIJDXVRGCWGNBQ-AAEUAGOBSA-N 0 3 293.382 3.628 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CSc3ccccc31)CC2 ZINC000834819095 1131707935 /nfs/dbraw/zinc/70/79/35/1131707935.db2.gz SFDLLRXFJCKYJS-HIFRSBDPSA-N 0 3 297.423 3.859 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CSc3ccccc31)CC2 ZINC000834819094 1131707943 /nfs/dbraw/zinc/70/79/43/1131707943.db2.gz SFDLLRXFJCKYJS-DZGCQCFKSA-N 0 3 297.423 3.859 20 10 CHCDHN CC[C@](C)(C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])OC ZINC000834882549 1131717037 /nfs/dbraw/zinc/71/70/37/1131717037.db2.gz ROUOEGHWQHFCSU-IAQYHMDHSA-N 0 3 285.815 3.820 20 10 CHCDHN CO[C@](C)(C[NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000834885014 1131718331 /nfs/dbraw/zinc/71/83/31/1131718331.db2.gz RTOFEVAQZBBSCR-DNVCBOLYSA-N 0 3 299.414 3.913 20 10 CHCDHN Cc1ccc(F)c(CC[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000834892402 1131719346 /nfs/dbraw/zinc/71/93/46/1131719346.db2.gz MHWWUVPDPHNJRE-ZDUSSCGKSA-N 0 3 273.351 3.733 20 10 CHCDHN CC[C@H](N[C@@H](C)c1nccn1CC)c1ccc(C)cc1O ZINC000834897183 1131721924 /nfs/dbraw/zinc/72/19/24/1131721924.db2.gz YLMHBZVYPRBFCT-ZFWWWQNUSA-N 0 3 287.407 3.719 20 10 CHCDHN CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000834906433 1131729356 /nfs/dbraw/zinc/72/93/56/1131729356.db2.gz WTLASZNENKMOIV-GOEBONIOSA-N 0 3 277.408 3.558 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000834909126 1131729838 /nfs/dbraw/zinc/72/98/38/1131729838.db2.gz JHSCJEXSVLFWJI-GDBMZVCRSA-N 0 3 291.435 3.947 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c1[O-] ZINC000834913938 1131732655 /nfs/dbraw/zinc/73/26/55/1131732655.db2.gz JNIAMEKCYDCKGT-MDZLAQPJSA-N 0 3 283.799 3.572 20 10 CHCDHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccccn1 ZINC000835033105 1131761237 /nfs/dbraw/zinc/76/12/37/1131761237.db2.gz CKCMZHQIOZXXDL-LQYUOIDQSA-N 0 3 281.403 3.512 20 10 CHCDHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccccn1 ZINC000835033107 1131761540 /nfs/dbraw/zinc/76/15/40/1131761540.db2.gz CKCMZHQIOZXXDL-XHPSBEMXSA-N 0 3 281.403 3.512 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cc(C)cc(Cl)n2)c(O)c1 ZINC000282761548 1131889097 /nfs/dbraw/zinc/88/90/97/1131889097.db2.gz OHANJJLWGVASOH-GFCCVEGCSA-N 0 3 290.794 3.908 20 10 CHCDHN CC[N@H+](Cc1ccc(O)c(C)c1[O-])C1CCCCC1 ZINC001140741789 1131905516 /nfs/dbraw/zinc/90/55/16/1131905516.db2.gz CDPCXLPBWIBYLQ-UHFFFAOYSA-N 0 3 263.381 3.561 20 10 CHCDHN CC[N@@H+](Cc1ccc(O)c(C)c1[O-])C1CCCCC1 ZINC001140741789 1131905523 /nfs/dbraw/zinc/90/55/23/1131905523.db2.gz CDPCXLPBWIBYLQ-UHFFFAOYSA-N 0 3 263.381 3.561 20 10 CHCDHN Cc1ncc([C@H](C)NCc2ccc(N(C)C)c(C)c2)s1 ZINC000773000464 1131916062 /nfs/dbraw/zinc/91/60/62/1131916062.db2.gz PTQMEZHEUDGTLM-LBPRGKRZSA-N 0 3 289.448 3.677 20 10 CHCDHN CCC[N@H+](CCSC(C)C)Cc1ccccc1[O-] ZINC000801518460 1131934620 /nfs/dbraw/zinc/93/46/20/1131934620.db2.gz IYSWAZBJXPTNAA-UHFFFAOYSA-N 0 3 267.438 3.746 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001140949652 1131969476 /nfs/dbraw/zinc/96/94/76/1131969476.db2.gz HCFCPCLDCGSFGS-QGZVFWFLSA-N 0 3 281.399 3.765 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001140949652 1131969482 /nfs/dbraw/zinc/96/94/82/1131969482.db2.gz HCFCPCLDCGSFGS-QGZVFWFLSA-N 0 3 281.399 3.765 20 10 CHCDHN Cc1ccc(C[N@@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140949732 1131969925 /nfs/dbraw/zinc/96/99/25/1131969925.db2.gz JZPVKYSIJNQXJJ-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc(C[N@H+](C)Cc2ccc(C)cc2[O-])cc1 ZINC001140949732 1131969932 /nfs/dbraw/zinc/96/99/32/1131969932.db2.gz JZPVKYSIJNQXJJ-UHFFFAOYSA-N 0 3 255.361 3.641 20 10 CHCDHN Cc1ccc(C[N@H+](C)CCCc2ccccc2)c([O-])c1 ZINC001140949735 1131970501 /nfs/dbraw/zinc/97/05/01/1131970501.db2.gz KFJCSRBIICSBTD-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN Cc1ccc(C[N@@H+](C)CCCc2ccccc2)c([O-])c1 ZINC001140949735 1131970505 /nfs/dbraw/zinc/97/05/05/1131970505.db2.gz KFJCSRBIICSBTD-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001140951119 1131971333 /nfs/dbraw/zinc/97/13/33/1131971333.db2.gz ZOSNWXPCVLPRJK-GDBMZVCRSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001140951119 1131971338 /nfs/dbraw/zinc/97/13/38/1131971338.db2.gz ZOSNWXPCVLPRJK-GDBMZVCRSA-N 0 3 259.393 3.855 20 10 CHCDHN Cc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)c([O-])c1 ZINC001140957995 1131972866 /nfs/dbraw/zinc/97/28/66/1131972866.db2.gz PEBQKBOWPLOTQS-UHFFFAOYSA-N 0 3 279.383 3.990 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)c([O-])c1 ZINC001140957995 1131972874 /nfs/dbraw/zinc/97/28/74/1131972874.db2.gz PEBQKBOWPLOTQS-UHFFFAOYSA-N 0 3 279.383 3.990 20 10 CHCDHN COc1ccc([C@@H]2CC[N@H+](Cc3ccc(C)cc3[O-])C2)cc1 ZINC001140957689 1131973282 /nfs/dbraw/zinc/97/32/82/1131973282.db2.gz JEISSKCTVRDLMQ-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])C2)cc1 ZINC001140957689 1131973286 /nfs/dbraw/zinc/97/32/86/1131973286.db2.gz JEISSKCTVRDLMQ-MRXNPFEDSA-N 0 3 297.398 3.699 20 10 CHCDHN Cc1ccc(C[N@H+](C)CC/C=C/c2cccnc2)c([O-])c1 ZINC001140957541 1131974102 /nfs/dbraw/zinc/97/41/02/1131974102.db2.gz CZMQMUUVCBUFOH-ZZXKWVIFSA-N 0 3 282.387 3.631 20 10 CHCDHN Cc1ccc(C[N@@H+](C)CC/C=C/c2cccnc2)c([O-])c1 ZINC001140957541 1131974104 /nfs/dbraw/zinc/97/41/04/1131974104.db2.gz CZMQMUUVCBUFOH-ZZXKWVIFSA-N 0 3 282.387 3.631 20 10 CHCDHN CC[C@H]([NH2+]CCc1cccc(F)c1)c1ccccc1[O-] ZINC000036778657 1131974750 /nfs/dbraw/zinc/97/47/50/1131974750.db2.gz ZZEDWCJCECLQBE-INIZCTEOSA-N 0 3 273.351 3.815 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCS2)c([O-])c1 ZINC000715698581 1131990722 /nfs/dbraw/zinc/99/07/22/1131990722.db2.gz SIZAHPNTWVGVAP-QWHCGFSZSA-N 0 3 265.422 3.637 20 10 CHCDHN CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000037107899 1131996666 /nfs/dbraw/zinc/99/66/66/1131996666.db2.gz YPFVXEATIMMUKA-ZDUSSCGKSA-N 0 3 271.360 3.642 20 10 CHCDHN CCN(Cc1ccccc1O)Cc1ccc(C)cc1F ZINC001141195117 1132039673 /nfs/dbraw/zinc/03/96/73/1132039673.db2.gz AXOZAOMPGYEHGE-UHFFFAOYSA-N 0 3 273.351 3.862 20 10 CHCDHN C[C@@H](c1ccccc1)[N@H+](CCCCO)Cc1ccccc1[O-] ZINC000839532688 1132221906 /nfs/dbraw/zinc/22/19/06/1132221906.db2.gz ZKHFMUSLTKJDRE-INIZCTEOSA-N 0 3 299.414 3.728 20 10 CHCDHN C[C@@H](c1ccccc1)[N@@H+](CCCCO)Cc1ccccc1[O-] ZINC000839532688 1132221912 /nfs/dbraw/zinc/22/19/12/1132221912.db2.gz ZKHFMUSLTKJDRE-INIZCTEOSA-N 0 3 299.414 3.728 20 10 CHCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172554786 1132265424 /nfs/dbraw/zinc/26/54/24/1132265424.db2.gz DNKGLBMOBLLUFT-ZBFHGGJFSA-N 0 3 283.371 3.524 20 10 CHCDHN COC1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000840791680 1132287492 /nfs/dbraw/zinc/28/74/92/1132287492.db2.gz BVCWBOXFIZPTEW-NFOMZHRRSA-N 0 3 277.408 3.617 20 10 CHCDHN COCC1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000840883488 1132303188 /nfs/dbraw/zinc/30/31/88/1132303188.db2.gz ZVMWNULRJMMFTK-NFOMZHRRSA-N 0 3 277.408 3.556 20 10 CHCDHN Cc1cc([C@H]2CCCN2Cc2ccc(N(C)C)cc2C)on1 ZINC000840910773 1132308403 /nfs/dbraw/zinc/30/84/03/1132308403.db2.gz LWAACHKSAIOAMS-QGZVFWFLSA-N 0 3 299.418 3.695 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+]CC(C)(C)OCC2CC2)c1[O-] ZINC000840960832 1132313325 /nfs/dbraw/zinc/31/33/25/1132313325.db2.gz VNZUQMOUDNXQRL-UHFFFAOYSA-N 0 3 297.826 3.649 20 10 CHCDHN C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1[O-] ZINC001172838579 1132332353 /nfs/dbraw/zinc/33/23/53/1132332353.db2.gz XLUYUKRGDVCYQV-LLVKDONJSA-N 0 3 293.769 3.906 20 10 CHCDHN C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1[O-] ZINC001172860383 1132346503 /nfs/dbraw/zinc/34/65/03/1132346503.db2.gz CNGNBFHLXKQPBJ-NSHDSACASA-N 0 3 293.769 3.906 20 10 CHCDHN COc1cc(N(C)C)ccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC001231853970 1132378808 /nfs/dbraw/zinc/37/88/08/1132378808.db2.gz VOAPIPIECUUKJT-PBHICJAKSA-N 0 3 288.435 3.526 20 10 CHCDHN C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1cc(F)ccc1[O-] ZINC000841761311 1132397217 /nfs/dbraw/zinc/39/72/17/1132397217.db2.gz IGVABUIPPXECBW-DOMZBBRYSA-N 0 3 295.398 3.513 20 10 CHCDHN CCCC[N@H+](CCC)Cc1cc(Cl)c([O-])cc1O ZINC001232261669 1132444810 /nfs/dbraw/zinc/44/48/10/1132444810.db2.gz LWABYNAPMWYBNQ-UHFFFAOYSA-N 0 3 271.788 3.763 20 10 CHCDHN CCCC[N@@H+](CCC)Cc1cc(Cl)c([O-])cc1O ZINC001232261669 1132444814 /nfs/dbraw/zinc/44/48/14/1132444814.db2.gz LWABYNAPMWYBNQ-UHFFFAOYSA-N 0 3 271.788 3.763 20 10 CHCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC2(CCC2)O1 ZINC000842642331 1132447818 /nfs/dbraw/zinc/44/78/18/1132447818.db2.gz JFNNHBSZIIRCMT-AWEZNQCLSA-N 0 3 297.398 3.689 20 10 CHCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC2(CCC2)O1 ZINC000842642331 1132447824 /nfs/dbraw/zinc/44/78/24/1132447824.db2.gz JFNNHBSZIIRCMT-AWEZNQCLSA-N 0 3 297.398 3.689 20 10 CHCDHN Cc1ccccc1C1(NCc2ccc3c(c2)CCO3)CC1 ZINC000842732223 1132455423 /nfs/dbraw/zinc/45/54/23/1132455423.db2.gz JDCUZIDBUXSIEE-UHFFFAOYSA-N 0 3 279.383 3.709 20 10 CHCDHN COc1cc(C)c(C[N@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC001142942585 1132486688 /nfs/dbraw/zinc/48/66/88/1132486688.db2.gz SRNAFZAUIAYMCR-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN COc1cc(C)c(C[N@@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC001142942585 1132486691 /nfs/dbraw/zinc/48/66/91/1132486691.db2.gz SRNAFZAUIAYMCR-UHFFFAOYSA-N 0 3 285.387 3.650 20 10 CHCDHN CCN(Cc1cc2ccoc2cn1)Cc1ccccc1O ZINC001232554466 1132487965 /nfs/dbraw/zinc/48/79/65/1132487965.db2.gz VVROEBFGHCRRKO-UHFFFAOYSA-N 0 3 282.343 3.556 20 10 CHCDHN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(O)c(O)c1 ZINC001203879958 1133378035 /nfs/dbraw/zinc/37/80/35/1133378035.db2.gz KWGJXACMQVVZFX-LLVKDONJSA-N 0 3 291.778 3.944 20 10 CHCDHN Cc1ccc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2)cn1 ZINC001203937872 1133385950 /nfs/dbraw/zinc/38/59/50/1133385950.db2.gz WRTMEIIUOIRNAO-IBGZPJMESA-N 0 3 295.430 3.793 20 10 CHCDHN CCN(CC)c1ccc(CN2CCCC[C@@H](F)C2)cc1 ZINC001203936275 1133386825 /nfs/dbraw/zinc/38/68/25/1133386825.db2.gz LJECGTOZEBJCRJ-MRXNPFEDSA-N 0 3 278.415 3.857 20 10 CHCDHN CCSCC[C@@H](C)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001204348031 1133437930 /nfs/dbraw/zinc/43/79/30/1133437930.db2.gz NPRZNCRGFNSRKY-CYBMUJFWSA-N 0 3 267.438 3.664 20 10 CHCDHN CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001204348031 1133437934 /nfs/dbraw/zinc/43/79/34/1133437934.db2.gz NPRZNCRGFNSRKY-CYBMUJFWSA-N 0 3 267.438 3.664 20 10 CHCDHN CC[N@H+](Cc1ccc(F)c(OC)c1)Cc1ccccc1[O-] ZINC001204563242 1133462152 /nfs/dbraw/zinc/46/21/52/1133462152.db2.gz JEASVGMTSYBNNU-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CC[N@@H+](Cc1ccc(F)c(OC)c1)Cc1ccccc1[O-] ZINC001204563242 1133462157 /nfs/dbraw/zinc/46/21/57/1133462157.db2.gz JEASVGMTSYBNNU-UHFFFAOYSA-N 0 3 289.350 3.562 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001205148231 1133537272 /nfs/dbraw/zinc/53/72/72/1133537272.db2.gz DLXSBEDLNSPWJM-UHFFFAOYSA-N 0 3 299.414 3.904 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2c(C)cc(OC)cc2[O-])cc1 ZINC001205148231 1133537277 /nfs/dbraw/zinc/53/72/77/1133537277.db2.gz DLXSBEDLNSPWJM-UHFFFAOYSA-N 0 3 299.414 3.904 20 10 CHCDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c([O-])c1 ZINC001206247790 1133676053 /nfs/dbraw/zinc/67/60/53/1133676053.db2.gz NMECMKYPXXZQCB-JKSUJKDBSA-N 0 3 291.435 3.772 20 10 CHCDHN CC(C)c1ccc(O)c(CN2CCO[C@@](C)(C3CC3)C2)c1 ZINC001206644902 1133731031 /nfs/dbraw/zinc/73/10/31/1133731031.db2.gz KUVAPHZRNAIEAR-GOSISDBHSA-N 0 3 289.419 3.517 20 10 CHCDHN C[C@@H](C[N@@H+]1CCc2cccc([O-])c2C1)c1ccccc1 ZINC001207911531 1133861740 /nfs/dbraw/zinc/86/17/40/1133861740.db2.gz DJYXSHFLPSSOJY-AWEZNQCLSA-N 0 3 267.372 3.554 20 10 CHCDHN C[C@@H](C[N@H+]1CCc2cccc([O-])c2C1)c1ccccc1 ZINC001207911531 1133861746 /nfs/dbraw/zinc/86/17/46/1133861746.db2.gz DJYXSHFLPSSOJY-AWEZNQCLSA-N 0 3 267.372 3.554 20 10 CHCDHN CC/C=C\CCN1CCN(c2ccc(OCC)cc2)CC1 ZINC001208735399 1133937728 /nfs/dbraw/zinc/93/77/28/1133937728.db2.gz XQEFCBJERGSIGA-WAYWQWQTSA-N 0 3 288.435 3.564 20 10 CHCDHN CC1(C[N@@H+]2CCc3cccc([O-])c3C2)CCCCC1 ZINC001208902097 1133960023 /nfs/dbraw/zinc/96/00/23/1133960023.db2.gz HRJGNODWOLHITJ-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CC1(C[N@H+]2CCc3cccc([O-])c3C2)CCCCC1 ZINC001208902097 1133960029 /nfs/dbraw/zinc/96/00/29/1133960029.db2.gz HRJGNODWOLHITJ-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CCN(Cc1ccc(N(C)C)cc1)C[C@H](C)C(F)(F)F ZINC001208902364 1133960789 /nfs/dbraw/zinc/96/07/89/1133960789.db2.gz RDKOEBBICHVWDB-LBPRGKRZSA-N 0 3 288.357 3.773 20 10 CHCDHN CC[N@H+](CCc1cc(F)cc(F)c1)Cc1ccccc1[O-] ZINC001209131754 1133979644 /nfs/dbraw/zinc/97/96/44/1133979644.db2.gz DAPHUOZRIMIRRE-UHFFFAOYSA-N 0 3 291.341 3.735 20 10 CHCDHN CC[N@@H+](CCc1cc(F)cc(F)c1)Cc1ccccc1[O-] ZINC001209131754 1133979648 /nfs/dbraw/zinc/97/96/48/1133979648.db2.gz DAPHUOZRIMIRRE-UHFFFAOYSA-N 0 3 291.341 3.735 20 10 CHCDHN COc1cccc(CN[C@H](C)c2ccccc2Cl)c1O ZINC000020124049 171005435 /nfs/dbraw/zinc/00/54/35/171005435.db2.gz YFAOJTMFNCEUPF-LLVKDONJSA-N 0 3 291.778 3.905 20 10 CHCDHN CC[C@@H](N[C@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000152369973 261063503 /nfs/dbraw/zinc/06/35/03/261063503.db2.gz CVCJYTOBDVULRH-RHSMWYFYSA-N 0 3 283.419 3.950 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccccc1[O-] ZINC000155696405 261106150 /nfs/dbraw/zinc/10/61/50/261106150.db2.gz SMQOYOFOKPKQDN-JKSUJKDBSA-N 0 3 283.371 3.826 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000156413920 261122695 /nfs/dbraw/zinc/12/26/95/261122695.db2.gz PZTRCASRBPAFSQ-LJHODMEESA-N 0 3 299.414 3.945 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)c1ccccc1[O-] ZINC000156698574 261130036 /nfs/dbraw/zinc/13/00/36/261130036.db2.gz SPKGIEXBRQVYSD-YXJHDRRASA-N 0 3 291.435 3.884 20 10 CHCDHN C[C@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1[O-] ZINC000183430327 261974578 /nfs/dbraw/zinc/97/45/78/261974578.db2.gz CDDYFHCRZNCQJQ-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000183439071 261975236 /nfs/dbraw/zinc/97/52/36/261975236.db2.gz DKTRWJLJMGWACI-OAHLLOKOSA-N 0 3 296.414 3.712 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCCCO2)c([O-])c1 ZINC000183985634 262003872 /nfs/dbraw/zinc/00/38/72/262003872.db2.gz VUXKIFWSSLLDGS-LSDHHAIUSA-N 0 3 277.408 3.701 20 10 CHCDHN C[C@H](NCc1ccco1)c1cc2c(cc1O)CCCC2 ZINC000184843391 262030947 /nfs/dbraw/zinc/03/09/47/262030947.db2.gz VHKKFEMRXGPOLM-LBPRGKRZSA-N 0 3 271.360 3.715 20 10 CHCDHN COCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184942394 262035093 /nfs/dbraw/zinc/03/50/93/262035093.db2.gz NNCAQDFROOFPCJ-LBPRGKRZSA-N 0 3 289.350 3.529 20 10 CHCDHN CO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1[O-])c1ccccc1 ZINC000185101706 262041342 /nfs/dbraw/zinc/04/13/42/262041342.db2.gz KHZNLPPSRRRSCI-RDTXWAMCSA-N 0 3 285.387 3.739 20 10 CHCDHN CCc1nc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cs1 ZINC000185310861 262049534 /nfs/dbraw/zinc/04/95/34/262049534.db2.gz MBRVHBMIIKTWEC-LBPRGKRZSA-N 0 3 290.432 3.613 20 10 CHCDHN Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185501703 262056925 /nfs/dbraw/zinc/05/69/25/262056925.db2.gz TVWSZVLNEBLQAA-NWDGAFQWSA-N 0 3 288.391 3.587 20 10 CHCDHN CCc1noc(CC)c1CN[C@H](C)c1ccc(C)cc1O ZINC000185678700 262066034 /nfs/dbraw/zinc/06/60/34/262066034.db2.gz ATUNJCHCDVAUPX-GFCCVEGCSA-N 0 3 288.391 3.664 20 10 CHCDHN COc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185715116 262067802 /nfs/dbraw/zinc/06/78/02/262067802.db2.gz YZVXZIOPEFXREC-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN COC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000186034977 262076195 /nfs/dbraw/zinc/07/61/95/262076195.db2.gz WSCIRYJZTHGHLW-RHSMWYFYSA-N 0 3 285.387 3.739 20 10 CHCDHN CCOCCC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CCC1 ZINC000186115893 262080220 /nfs/dbraw/zinc/08/02/20/262080220.db2.gz JCIVGUPXXBSHIL-HNNXBMFYSA-N 0 3 291.435 3.948 20 10 CHCDHN COc1cc(C)cc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000186156151 262082117 /nfs/dbraw/zinc/08/21/17/262082117.db2.gz KQVNAZAHIYUUSU-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186158379 262082997 /nfs/dbraw/zinc/08/29/97/262082997.db2.gz NCQCGRSHQSQXOV-NXEZZACHSA-N 0 3 292.354 3.590 20 10 CHCDHN Cc1csc([C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2[O-])n1 ZINC000186561739 262098850 /nfs/dbraw/zinc/09/88/50/262098850.db2.gz WVOIPWXVSNRTFL-DGCLKSJQSA-N 0 3 290.432 3.920 20 10 CHCDHN CSCCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000186774135 262109469 /nfs/dbraw/zinc/10/94/69/262109469.db2.gz JFNAZHJWNHUWBF-GFCCVEGCSA-N 0 3 253.411 3.576 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H](SC)C2)c1 ZINC000185483848 262304550 /nfs/dbraw/zinc/30/45/50/262304550.db2.gz QHIBNKLCLCGPRY-SCRDCRAPSA-N 0 3 295.448 3.726 20 10 CHCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000280412317 263061419 /nfs/dbraw/zinc/06/14/19/263061419.db2.gz BCHWWIONSLDALJ-GFCCVEGCSA-N 0 3 299.361 3.706 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000281876328 263072727 /nfs/dbraw/zinc/07/27/27/263072727.db2.gz CYSIOIALEXFKLP-LBPRGKRZSA-N 0 3 269.335 3.616 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3c1cccc3F)CC2 ZINC000297946391 263212802 /nfs/dbraw/zinc/21/28/02/263212802.db2.gz YJACGXTVUACNFI-JKSUJKDBSA-N 0 3 283.346 3.796 20 10 CHCDHN COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000037771110 326861081 /nfs/dbraw/zinc/86/10/81/326861081.db2.gz OAOKAGQRUFATSS-STQMWFEESA-N 0 3 271.360 3.813 20 10 CHCDHN Cc1ccc(C2CC[NH+](Cc3cccc(C)c3[O-])CC2)cn1 ZINC000378629412 329057082 /nfs/dbraw/zinc/05/70/82/329057082.db2.gz DKPXNNMAFDYJGD-UHFFFAOYSA-N 0 3 296.414 3.784 20 10 CHCDHN C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184569737 329260015 /nfs/dbraw/zinc/26/00/15/329260015.db2.gz GVHHDCFXEAUEEC-WBMJQRKESA-N 0 3 286.350 3.509 20 10 CHCDHN C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184569737 329260017 /nfs/dbraw/zinc/26/00/17/329260017.db2.gz GVHHDCFXEAUEEC-WBMJQRKESA-N 0 3 286.350 3.509 20 10 CHCDHN COCCC1CC[NH+]([C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000527935690 330297914 /nfs/dbraw/zinc/29/79/14/330297914.db2.gz OJWRNGFORXHKHZ-AWEZNQCLSA-N 0 3 277.408 3.510 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2C)c([O-])c1 ZINC000527986278 330298796 /nfs/dbraw/zinc/29/87/96/330298796.db2.gz KYUOAEKADGLJBY-AWEZNQCLSA-N 0 3 270.376 3.563 20 10 CHCDHN CCN(CC)c1ccc(CNCc2cnc(C)s2)cc1 ZINC000040443757 520908245 /nfs/dbraw/zinc/90/82/45/520908245.db2.gz AQSYTIJYZOWLDB-UHFFFAOYSA-N 0 3 289.448 3.588 20 10 CHCDHN CCOc1ccc(O)c(CN(C)[C@H](C)c2ccco2)c1 ZINC000131125567 521143397 /nfs/dbraw/zinc/14/33/97/521143397.db2.gz KFYFXAUVSBQIAW-GFCCVEGCSA-N 0 3 275.348 3.577 20 10 CHCDHN CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(C)cc1[O-] ZINC000280235633 522559153 /nfs/dbraw/zinc/55/91/53/522559153.db2.gz VOTKALGEXANAQA-LBPRGKRZSA-N 0 3 255.308 3.539 20 10 CHCDHN CC[C@H]([NH2+]C1CCSCC1)c1ccc(C)cc1[O-] ZINC000280229197 522563908 /nfs/dbraw/zinc/56/39/08/522563908.db2.gz VFTOFKKOZINJHT-AWEZNQCLSA-N 0 3 265.422 3.637 20 10 CHCDHN CC[C@H]([NH2+]CC(C)(C)CCOC)c1ccc(C)cc1[O-] ZINC000280136302 522568977 /nfs/dbraw/zinc/56/89/77/522568977.db2.gz PINDCUJXLDINAQ-HNNXBMFYSA-N 0 3 279.424 3.804 20 10 CHCDHN CC[C@H]([NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000274776069 522600450 /nfs/dbraw/zinc/60/04/50/522600450.db2.gz OAEUXLLVLWDWOB-LZWOXQAQSA-N 0 3 277.408 3.638 20 10 CHCDHN CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1ccc(C)cc1[O-] ZINC000291301161 522625522 /nfs/dbraw/zinc/62/55/22/522625522.db2.gz SKVIQRLRVNTEOW-DOTOQJQBSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(C)cc1[O-] ZINC000280269176 522720742 /nfs/dbraw/zinc/72/07/42/522720742.db2.gz XTSJOZODXFZHLC-UWWQBHOKSA-N 0 3 289.419 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccc(C)cc1[O-] ZINC000280269134 522741688 /nfs/dbraw/zinc/74/16/88/522741688.db2.gz XTNQQKNLAILEGO-WBMJQRKESA-N 0 3 287.407 3.544 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccncc1C)c1ccc(C)cc1[O-] ZINC000280016676 522841932 /nfs/dbraw/zinc/84/19/32/522841932.db2.gz HCAYVSZMZNIPBO-QGZVFWFLSA-N 0 3 284.403 3.687 20 10 CHCDHN CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280105864 522850457 /nfs/dbraw/zinc/85/04/57/522850457.db2.gz NIWWFYHUXOKBOL-FUHWJXTLSA-N 0 3 299.414 3.517 20 10 CHCDHN COCc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000121426896 523058457 /nfs/dbraw/zinc/05/84/57/523058457.db2.gz IQBUNQYSHXSEKD-OAHLLOKOSA-N 0 3 298.430 3.750 20 10 CHCDHN COc1ccc(CNCc2ccc(F)c(F)c2)cc1C ZINC000049577520 524072982 /nfs/dbraw/zinc/07/29/82/524072982.db2.gz UVPOXWGUUGHBJS-UHFFFAOYSA-N 0 3 277.314 3.572 20 10 CHCDHN COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000094617668 524093114 /nfs/dbraw/zinc/09/31/14/524093114.db2.gz GSNCQJDQDNJLDY-VXGBXAGGSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CSCCS2)c([O-])c1 ZINC000294566254 524334394 /nfs/dbraw/zinc/33/43/94/524334394.db2.gz BSCNKLMHQVDAEX-QWHCGFSZSA-N 0 3 297.489 3.508 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000094618035 524590379 /nfs/dbraw/zinc/59/03/79/524590379.db2.gz APXWKRYNTABCFR-JTQLQIEISA-N 0 3 265.353 3.752 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ccccc1[O-] ZINC000020131623 525541478 /nfs/dbraw/zinc/54/14/78/525541478.db2.gz DGPQFDXCPQVYCY-LLVKDONJSA-N 0 3 293.313 3.844 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCc2occc21)c1cc(F)ccc1[O-] ZINC000094617005 525564644 /nfs/dbraw/zinc/56/46/44/525564644.db2.gz SOIPIERAOFOPDQ-IINYFYTJSA-N 0 3 275.323 3.853 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccccc1[O-] ZINC000188053043 525626460 /nfs/dbraw/zinc/62/64/60/525626460.db2.gz FPJBANFGHHZTDK-NHYWBVRUSA-N 0 3 287.334 3.706 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c([O-])c1 ZINC000037786564 525723235 /nfs/dbraw/zinc/72/32/35/525723235.db2.gz LLBRBDSYRVNZLW-CQSZACIVSA-N 0 3 290.451 3.614 20 10 CHCDHN Cc1ccsc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000070090042 525886287 /nfs/dbraw/zinc/88/62/87/525886287.db2.gz SZDDPQYFABOGCG-ZDUSSCGKSA-N 0 3 274.433 3.973 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC000281074181 525921938 /nfs/dbraw/zinc/92/19/38/525921938.db2.gz IOIMNMCHAAOMLS-NWDGAFQWSA-N 0 3 269.335 3.787 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc3c(n2)CCCC3)c(O)c1 ZINC000278454417 525927911 /nfs/dbraw/zinc/92/79/11/525927911.db2.gz LVWZEKAKSIZHRL-AWEZNQCLSA-N 0 3 296.414 3.825 20 10 CHCDHN COc1cccc(C[NH2+]Cc2c(C)cc(C)cc2C)c1[O-] ZINC000237214506 526022686 /nfs/dbraw/zinc/02/26/86/526022686.db2.gz LMXVHIWEBMYWQT-UHFFFAOYSA-N 0 3 285.387 3.616 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1CCOCC1 ZINC000263729236 526338591 /nfs/dbraw/zinc/33/85/91/526338591.db2.gz XSOJCRNIQFUVGE-UHFFFAOYSA-N 0 3 297.398 3.575 20 10 CHCDHN C[C@@H](c1ccccc1F)N(C)Cc1ccccc1O ZINC000111235035 1125480858 /nfs/dbraw/zinc/48/08/58/1125480858.db2.gz FJQLSAFJVPGHCR-LBPRGKRZSA-N 0 3 259.324 3.724 20 10 CHCDHN CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794803675 1123953704 /nfs/dbraw/zinc/95/37/04/1123953704.db2.gz ROHLLAQICFWWSD-SQWLQELKSA-N 0 3 279.424 3.538 20 10 CHCDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])c(C)s1 ZINC000877756474 1125072667 /nfs/dbraw/zinc/07/26/67/1125072667.db2.gz KSUJTUAAGNIGJQ-LLVKDONJSA-N 0 3 261.390 3.921 20 10 CHCDHN CCC[C@H](C[NH2+][C@@H](CC)c1ccc(C)cc1[O-])OC ZINC000834841498 1131710994 /nfs/dbraw/zinc/71/09/94/1131710994.db2.gz VAJDUNGWAGYZDM-HIFRSBDPSA-N 0 3 265.397 3.556 20 10 CHCDHN CC[C@H](C)OCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001172328841 1132172402 /nfs/dbraw/zinc/17/24/02/1132172402.db2.gz QFMXGXDHTJRTLG-HZSPNIEDSA-N 0 3 265.397 3.637 20 10 CHCDHN CC1=C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC001208179761 1133899696 /nfs/dbraw/zinc/89/96/96/1133899696.db2.gz BZTRLSXBPHQPQB-LSDHHAIUSA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001208179761 1133899699 /nfs/dbraw/zinc/89/96/99/1133899699.db2.gz BZTRLSXBPHQPQB-LSDHHAIUSA-N 0 3 259.393 3.816 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000134486048 1125563880 /nfs/dbraw/zinc/56/38/80/1125563880.db2.gz JNVHHLAFOCDLRC-UHFFFAOYSA-N 0 3 271.335 3.567 20 10 CHCDHN CCOc1cccc(C[N@@H+]2[C@H](C)CC[C@H]2CC)c1[O-] ZINC000136821670 1125647248 /nfs/dbraw/zinc/64/72/48/1125647248.db2.gz QXRZNKQAVXPVON-TZMCWYRMSA-N 0 3 263.381 3.554 20 10 CHCDHN CCOc1cccc(C[N@H+]2[C@H](C)CC[C@H]2CC)c1[O-] ZINC000136821670 1125647253 /nfs/dbraw/zinc/64/72/53/1125647253.db2.gz QXRZNKQAVXPVON-TZMCWYRMSA-N 0 3 263.381 3.554 20 10 CHCDHN Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000137278438 1125657848 /nfs/dbraw/zinc/65/78/48/1125657848.db2.gz VVEHKOLCSQTJQO-AWEZNQCLSA-N 0 3 255.361 3.894 20 10 CHCDHN Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000137278438 1125657850 /nfs/dbraw/zinc/65/78/50/1125657850.db2.gz VVEHKOLCSQTJQO-AWEZNQCLSA-N 0 3 255.361 3.894 20 10 CHCDHN CC(C)N(CCC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000741053482 1129427617 /nfs/dbraw/zinc/42/76/17/1129427617.db2.gz JMQPETYBJPLWSQ-UHFFFAOYSA-N 0 3 288.357 3.915 20 10 CHCDHN CC[C@@](C)(NCc1ccccc1O)c1nc(C)cs1 ZINC000174503548 1126771059 /nfs/dbraw/zinc/77/10/59/1126771059.db2.gz YEBKZYGYMXMULR-OAHLLOKOSA-N 0 3 276.405 3.572 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000183412609 1126886841 /nfs/dbraw/zinc/88/68/41/1126886841.db2.gz ICCBWRFPHKBHIB-HZPDHXFCSA-N 0 3 296.414 3.569 20 10 CHCDHN C[C@H]([NH2+]CCCNc1ccccc1)c1ccccc1[O-] ZINC000183520134 1126887587 /nfs/dbraw/zinc/88/75/87/1126887587.db2.gz NLXKPPNGZDWPOD-AWEZNQCLSA-N 0 3 270.376 3.545 20 10 CHCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1C ZINC000183460725 1126887741 /nfs/dbraw/zinc/88/77/41/1126887741.db2.gz BIENWIYIVXVTRF-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccccc1[O-] ZINC000183660787 1126889368 /nfs/dbraw/zinc/88/93/68/1126889368.db2.gz MTCJETSIDVVACB-LBPRGKRZSA-N 0 3 271.335 3.871 20 10 CHCDHN COCCC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CCC1 ZINC000185752589 1126902283 /nfs/dbraw/zinc/90/22/83/1126902283.db2.gz PXASRQCCVLOCMX-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN CCSc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccn1 ZINC000187789586 1126914346 /nfs/dbraw/zinc/91/43/46/1126914346.db2.gz UWOWIGSGFNCVJB-GFCCVEGCSA-N 0 3 288.416 3.750 20 10 CHCDHN CCSc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccn1 ZINC000187789570 1126914816 /nfs/dbraw/zinc/91/48/16/1126914816.db2.gz UWOWIGSGFNCVJB-LBPRGKRZSA-N 0 3 288.416 3.750 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[O-] ZINC000906594273 1126960827 /nfs/dbraw/zinc/96/08/27/1126960827.db2.gz CTSXMOLYWGBIOE-XFBWCDHKSA-N 0 3 271.335 3.738 20 10 CHCDHN CCC(CC)[C@@H](CC[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000783519319 1130833918 /nfs/dbraw/zinc/83/39/18/1130833918.db2.gz RLSZAXGZBUUYSB-CXAGYDPISA-N 0 3 279.424 3.884 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCCC12CC2 ZINC001237137921 1131056122 /nfs/dbraw/zinc/05/61/22/1131056122.db2.gz RPODUIGSRAUPKM-UHFFFAOYSA-N 0 3 271.282 3.539 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCCC12CC2 ZINC001237137921 1131056127 /nfs/dbraw/zinc/05/61/27/1131056127.db2.gz RPODUIGSRAUPKM-UHFFFAOYSA-N 0 3 271.282 3.539 20 10 CHCDHN CC[C@H]([NH2+]CCCc1cccc(C)n1)c1ccccc1[O-] ZINC000287542819 1127309802 /nfs/dbraw/zinc/30/98/02/1127309802.db2.gz PINAQCYABSLEGS-KRWDZBQOSA-N 0 3 284.403 3.769 20 10 CHCDHN COC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1 ZINC000287675547 1127312206 /nfs/dbraw/zinc/31/22/06/1127312206.db2.gz MLGDCQMKQOACDS-GOSISDBHSA-N 0 3 298.430 3.538 20 10 CHCDHN C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000360697805 1127506752 /nfs/dbraw/zinc/50/67/52/1127506752.db2.gz IYZLLBXHXMBBEW-ZSZQSSIHSA-N 0 3 297.398 3.821 20 10 CHCDHN CCc1noc(C)c1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000293746388 1127517580 /nfs/dbraw/zinc/51/75/80/1127517580.db2.gz PVGQEECRBLXMNV-LBPRGKRZSA-N 0 3 288.391 3.719 20 10 CHCDHN Cc1cc(CN(C)[C@@H](C)c2ccncc2)ccc1N(C)C ZINC000293917330 1127533206 /nfs/dbraw/zinc/53/32/06/1127533206.db2.gz XPKNXXCKKRAFDK-HNNXBMFYSA-N 0 3 283.419 3.649 20 10 CHCDHN CCC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000228630959 1127576472 /nfs/dbraw/zinc/57/64/72/1127576472.db2.gz PUNNAKZBJAZZOQ-UHFFFAOYSA-N 0 3 283.799 3.676 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC=CCC2)c1[O-] ZINC000228672711 1127582639 /nfs/dbraw/zinc/58/26/39/1127582639.db2.gz WYIHRJCIJCFEHM-LLVKDONJSA-N 0 3 281.783 3.500 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CCC(C)C)c1[O-] ZINC000228668990 1127583041 /nfs/dbraw/zinc/58/30/41/1127583041.db2.gz OGGFJBSBRBFROU-LLVKDONJSA-N 0 3 285.815 3.969 20 10 CHCDHN CCCC[N@H+](CCc1cscn1)Cc1ccccc1[O-] ZINC000295146204 1127623793 /nfs/dbraw/zinc/62/37/93/1127623793.db2.gz FJBRFNKHRUXEJU-UHFFFAOYSA-N 0 3 290.432 3.694 20 10 CHCDHN CCCC[N@@H+](CCc1cscn1)Cc1ccccc1[O-] ZINC000295146204 1127623795 /nfs/dbraw/zinc/62/37/95/1127623795.db2.gz FJBRFNKHRUXEJU-UHFFFAOYSA-N 0 3 290.432 3.694 20 10 CHCDHN C[C@@H](CC[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000060942209 1127624828 /nfs/dbraw/zinc/62/48/28/1127624828.db2.gz NVECVHVHNCFRMD-AWEZNQCLSA-N 0 3 255.361 3.676 20 10 CHCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000061361706 1127685921 /nfs/dbraw/zinc/68/59/21/1127685921.db2.gz MMVJRQOKKZSKQH-LLVKDONJSA-N 0 3 259.374 3.534 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c1[O-] ZINC000230659100 1127771763 /nfs/dbraw/zinc/77/17/63/1127771763.db2.gz KPIBWMDBRLKETC-QWRGUYRKSA-N 0 3 283.799 3.580 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1ccccc1[O-] ZINC000927016794 1128207976 /nfs/dbraw/zinc/20/79/76/1128207976.db2.gz KZRQOFWMIKXVLQ-UONOGXRCSA-N 0 3 275.392 3.535 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCSC3(CCC3)C1)CC2 ZINC000927039838 1128211204 /nfs/dbraw/zinc/21/12/04/1128211204.db2.gz SSQWVQPEGCKPKC-KGLIPLIRSA-N 0 3 289.444 3.787 20 10 CHCDHN COc1cccc([C@@H](C)N[C@H]2CCCc3cccnc32)c1O ZINC000927064260 1128214050 /nfs/dbraw/zinc/21/40/50/1128214050.db2.gz RJIQJWBQMUHIDR-DOMZBBRYSA-N 0 3 298.386 3.524 20 10 CHCDHN C[C@H]([NH2+]C[C@]1(c2ccccc2)CCCO1)c1ccccc1[O-] ZINC000927114179 1128219256 /nfs/dbraw/zinc/21/92/56/1128219256.db2.gz CSSUIOCKCLRWKO-KXBFYZLASA-N 0 3 297.398 3.749 20 10 CHCDHN C[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccccc1[O-] ZINC000927117360 1128219494 /nfs/dbraw/zinc/21/94/94/1128219494.db2.gz UUYDKGCTYXNKHP-AUUYWEPGSA-N 0 3 297.398 3.747 20 10 CHCDHN CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccccc1[O-] ZINC000777824834 1128288525 /nfs/dbraw/zinc/28/85/25/1128288525.db2.gz HNARFBUSBHDNGF-MRXNPFEDSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccccc1[O-] ZINC000777824834 1128288528 /nfs/dbraw/zinc/28/85/28/1128288528.db2.gz HNARFBUSBHDNGF-MRXNPFEDSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccccc1[O-] ZINC000155273029 1128604414 /nfs/dbraw/zinc/60/44/14/1128604414.db2.gz DOBMJFXWORDIBX-GOSISDBHSA-N 0 3 298.430 3.565 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1[O-] ZINC000157881274 1128662983 /nfs/dbraw/zinc/66/29/83/1128662983.db2.gz OATQJUNYPQJBKZ-DZGCQCFKSA-N 0 3 277.408 3.779 20 10 CHCDHN C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC000778993977 1128674732 /nfs/dbraw/zinc/67/47/32/1128674732.db2.gz ZQXUTSJZCMSORL-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC000778993977 1128674736 /nfs/dbraw/zinc/67/47/36/1128674736.db2.gz ZQXUTSJZCMSORL-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN C[C@@H]1c2ccsc2CCN1Cc1ccc(N(C)C)cc1 ZINC000920257178 1128675064 /nfs/dbraw/zinc/67/50/64/1128675064.db2.gz ICTZFCQICHDXMW-CYBMUJFWSA-N 0 3 286.444 3.933 20 10 CHCDHN COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])c1 ZINC000779000417 1128675771 /nfs/dbraw/zinc/67/57/71/1128675771.db2.gz VJTRIJDFFQEVOJ-KRWDZBQOSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])c1 ZINC000779000417 1128675773 /nfs/dbraw/zinc/67/57/73/1128675773.db2.gz VJTRIJDFFQEVOJ-KRWDZBQOSA-N 0 3 297.398 3.608 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000778996983 1128675881 /nfs/dbraw/zinc/67/58/81/1128675881.db2.gz YGFULWCOZSSSEY-AWEZNQCLSA-N 0 3 277.364 3.930 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000778996983 1128675884 /nfs/dbraw/zinc/67/58/84/1128675884.db2.gz YGFULWCOZSSSEY-AWEZNQCLSA-N 0 3 277.364 3.930 20 10 CHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1[O-] ZINC000779008554 1128677144 /nfs/dbraw/zinc/67/71/44/1128677144.db2.gz RIEOPKAHLLHLJL-DVVUODLYSA-N 0 3 298.224 3.770 20 10 CHCDHN Cc1[nH]c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2c1C ZINC000779062519 1128713907 /nfs/dbraw/zinc/71/39/07/1128713907.db2.gz WOVLXXLLDAHROE-UHFFFAOYSA-N 0 3 298.361 3.919 20 10 CHCDHN C[C@@H]1C[C@@H]1c1ccc(CNCc2cc(F)ccc2O)o1 ZINC000779065329 1128716474 /nfs/dbraw/zinc/71/64/74/1128716474.db2.gz PDUVMHROXBXODX-YGRLFVJLSA-N 0 3 275.323 3.538 20 10 CHCDHN Cc1ccc2c(CC[NH2+]Cc3cc(F)ccc3[O-])c[nH]c2c1 ZINC000779067053 1128716731 /nfs/dbraw/zinc/71/67/31/1128716731.db2.gz NGLOLRSZTQECNS-UHFFFAOYSA-N 0 3 298.361 3.653 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000779080899 1128723755 /nfs/dbraw/zinc/72/37/55/1128723755.db2.gz FINZPCFCNDPXLJ-TYNCELHUSA-N 0 3 263.356 3.590 20 10 CHCDHN Cc1cccc2[nH]cc(CC[NH2+]Cc3ccccc3[O-])c21 ZINC000237742865 1128756005 /nfs/dbraw/zinc/75/60/05/1128756005.db2.gz WTVGGESYUIMJTN-UHFFFAOYSA-N 0 3 280.371 3.514 20 10 CHCDHN Cc1cccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c1O ZINC000179854431 1128762366 /nfs/dbraw/zinc/76/23/66/1128762366.db2.gz RQYPLEIQMWUURB-QAPCUYQASA-N 0 3 297.398 3.663 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000179893878 1128764071 /nfs/dbraw/zinc/76/40/71/1128764071.db2.gz IPHJROYRFOUORD-UHFFFAOYSA-N 0 3 299.345 3.526 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000179893878 1128764074 /nfs/dbraw/zinc/76/40/74/1128764074.db2.gz IPHJROYRFOUORD-UHFFFAOYSA-N 0 3 299.345 3.526 20 10 CHCDHN Cc1ccc(C)c(CN2CCC[C@H]2c2nccs2)c1O ZINC001140182745 1118250770 /nfs/dbraw/zinc/25/07/70/1118250770.db2.gz YTFOSIMJNIYQLO-AWEZNQCLSA-N 0 3 288.416 3.803 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000147937283 1118254576 /nfs/dbraw/zinc/25/45/76/1118254576.db2.gz HIKMRWYGWQHMHI-GASCZTMLSA-N 0 3 267.372 3.777 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000147937283 1118254581 /nfs/dbraw/zinc/25/45/81/1118254581.db2.gz HIKMRWYGWQHMHI-GASCZTMLSA-N 0 3 267.372 3.777 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1c(C)noc1C ZINC000186187578 1118291839 /nfs/dbraw/zinc/29/18/39/1118291839.db2.gz NTLVJJDHVCFSHH-XPTSAGLGSA-N 0 3 292.354 3.938 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1F ZINC000834496376 1118399705 /nfs/dbraw/zinc/39/97/05/1118399705.db2.gz FUJUIDGZYMWFHL-OAHLLOKOSA-N 0 3 271.335 3.617 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000180162728 1128778922 /nfs/dbraw/zinc/77/89/22/1128778922.db2.gz AYWCNQIZAUQART-OAHLLOKOSA-N 0 3 285.362 3.596 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000180162728 1128778925 /nfs/dbraw/zinc/77/89/25/1128778925.db2.gz AYWCNQIZAUQART-OAHLLOKOSA-N 0 3 285.362 3.596 20 10 CHCDHN CC[C@H]([NH2+]CC1(OC)CCCC1)c1ccc(C)cc1[O-] ZINC000834815406 1118571434 /nfs/dbraw/zinc/57/14/34/1118571434.db2.gz VKIRDWTXJMTNHA-HNNXBMFYSA-N 0 3 277.408 3.701 20 10 CHCDHN C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1[O-] ZINC000588424097 1118667588 /nfs/dbraw/zinc/66/75/88/1118667588.db2.gz WDVPTBKWXMSDLB-YHAOYDPOSA-N 0 3 253.345 3.756 20 10 CHCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000180618828 1128800278 /nfs/dbraw/zinc/80/02/78/1128800278.db2.gz SFRTWDWWJMDNKV-UHFFFAOYSA-N 0 3 277.314 3.695 20 10 CHCDHN CC[C@]1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000190348359 1128818695 /nfs/dbraw/zinc/81/86/95/1128818695.db2.gz LKAFLFXWPJPDOC-GOSISDBHSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[C@]1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000190348359 1128818698 /nfs/dbraw/zinc/81/86/98/1128818698.db2.gz LKAFLFXWPJPDOC-GOSISDBHSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[N@H+](Cc1cc(F)ccc1[O-])C1CCCCC1 ZINC000226561425 1119157004 /nfs/dbraw/zinc/15/70/04/1119157004.db2.gz WQNILIBWBGVECM-UHFFFAOYSA-N 0 3 251.345 3.686 20 10 CHCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C1CCCCC1 ZINC000226561425 1119157008 /nfs/dbraw/zinc/15/70/08/1119157008.db2.gz WQNILIBWBGVECM-UHFFFAOYSA-N 0 3 251.345 3.686 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(Cl)s1 ZINC000226583679 1119209672 /nfs/dbraw/zinc/20/96/72/1119209672.db2.gz KJANNBYCDYNXSB-UHFFFAOYSA-N 0 3 271.744 3.536 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1N1CCCC1 ZINC000120061156 1119229332 /nfs/dbraw/zinc/22/93/32/1119229332.db2.gz ZPYHVIDTNRNFOK-UHFFFAOYSA-N 0 3 296.414 3.624 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1N1CCCC1 ZINC000120061156 1119229334 /nfs/dbraw/zinc/22/93/34/1119229334.db2.gz ZPYHVIDTNRNFOK-UHFFFAOYSA-N 0 3 296.414 3.624 20 10 CHCDHN C[C@@H]([NH2+]CCCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000148593163 1119336639 /nfs/dbraw/zinc/33/66/39/1119336639.db2.gz UEYPGXGIPPAGKK-MRVPVSSYSA-N 0 3 265.250 3.524 20 10 CHCDHN C[C@H](NCc1ccc(F)cc1F)c1ccccc1O ZINC000051016631 1119361208 /nfs/dbraw/zinc/36/12/08/1119361208.db2.gz NNVOXZQVEWQXNX-JTQLQIEISA-N 0 3 263.287 3.521 20 10 CHCDHN CCSCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000167455490 1120080587 /nfs/dbraw/zinc/08/05/87/1120080587.db2.gz BQLBDTATNNGIHP-VXGBXAGGSA-N 0 3 253.411 3.575 20 10 CHCDHN CCC[N@H+](CCc1scnc1C)Cc1ccccc1[O-] ZINC000172532252 1120104142 /nfs/dbraw/zinc/10/41/42/1120104142.db2.gz HXWSEDOQTUJPIN-UHFFFAOYSA-N 0 3 290.432 3.612 20 10 CHCDHN CCC[N@@H+](CCc1scnc1C)Cc1ccccc1[O-] ZINC000172532252 1120104147 /nfs/dbraw/zinc/10/41/47/1120104147.db2.gz HXWSEDOQTUJPIN-UHFFFAOYSA-N 0 3 290.432 3.612 20 10 CHCDHN CCc1ccc(C[N@H+](CC)Cc2ccccc2)c([O-])c1 ZINC001236783722 1128890785 /nfs/dbraw/zinc/89/07/85/1128890785.db2.gz OKZDOUKLSYFWBJ-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN CCc1ccc(C[N@@H+](CC)Cc2ccccc2)c([O-])c1 ZINC001236783722 1128890786 /nfs/dbraw/zinc/89/07/86/1128890786.db2.gz OKZDOUKLSYFWBJ-UHFFFAOYSA-N 0 3 269.388 3.977 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1ccc(Cl)s1)CC2 ZINC000311847780 1120113447 /nfs/dbraw/zinc/11/34/47/1120113447.db2.gz IOLFBJYLTHVMLK-LBPRGKRZSA-N 0 3 293.819 3.927 20 10 CHCDHN Cc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c([O-])c1 ZINC001140957739 1120148853 /nfs/dbraw/zinc/14/88/53/1120148853.db2.gz MDGQOMVPXCFSGF-OAHLLOKOSA-N 0 3 277.383 3.805 20 10 CHCDHN CC(C)COc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000236654839 1120155605 /nfs/dbraw/zinc/15/56/05/1120155605.db2.gz SFVHSJPSAVQBAO-UHFFFAOYSA-N 0 3 285.387 3.717 20 10 CHCDHN CCOc1cccc(C[N@H+](CC)[C@H](C)C(C)C)c1[O-] ZINC000092590300 1120221641 /nfs/dbraw/zinc/22/16/41/1120221641.db2.gz WDQKQEFKBCHAEK-CYBMUJFWSA-N 0 3 265.397 3.657 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC)[C@H](C)C(C)C)c1[O-] ZINC000092590300 1120221644 /nfs/dbraw/zinc/22/16/44/1120221644.db2.gz WDQKQEFKBCHAEK-CYBMUJFWSA-N 0 3 265.397 3.657 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1[O-] ZINC001168690241 1120256153 /nfs/dbraw/zinc/25/61/53/1120256153.db2.gz KKIPHXCLSWICIA-DGCLKSJQSA-N 0 3 287.790 3.864 20 10 CHCDHN CCc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000183419655 1120341456 /nfs/dbraw/zinc/34/14/56/1120341456.db2.gz OSXDJFOVYVZLMZ-LLVKDONJSA-N 0 3 261.390 3.867 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2CCC3(CCCC3)C2)c1[O-] ZINC000312447195 1120426804 /nfs/dbraw/zinc/42/68/04/1120426804.db2.gz CDVPYRFBKAHZDG-UHFFFAOYSA-N 0 3 295.810 3.820 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2CCC3(CCCC3)C2)c1[O-] ZINC000312447195 1120426807 /nfs/dbraw/zinc/42/68/07/1120426807.db2.gz CDVPYRFBKAHZDG-UHFFFAOYSA-N 0 3 295.810 3.820 20 10 CHCDHN Cc1ccccc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000312458676 1120429997 /nfs/dbraw/zinc/42/99/97/1120429997.db2.gz ADPBHBMPFBJENH-MRXNPFEDSA-N 0 3 267.372 3.520 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1ccccc1[O-] ZINC000692692682 1120488400 /nfs/dbraw/zinc/48/84/00/1120488400.db2.gz VFRACNDNDPZGNR-HIFRSBDPSA-N 0 3 270.376 3.632 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CC)CCOCC1)c1ccccc1[O-] ZINC000312625780 1120495468 /nfs/dbraw/zinc/49/54/68/1120495468.db2.gz BICWCTPYHZKJLD-OAHLLOKOSA-N 0 3 277.408 3.640 20 10 CHCDHN Cc1cnc(Cl)c(CN[C@H](C)c2ccccc2O)c1 ZINC000922328275 1120515927 /nfs/dbraw/zinc/51/59/27/1120515927.db2.gz ALIUWBRUOUSKTC-LLVKDONJSA-N 0 3 276.767 3.600 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1[O-] ZINC000019943903 1120552839 /nfs/dbraw/zinc/55/28/39/1120552839.db2.gz CJRWCCYTZLXJLR-HNNXBMFYSA-N 0 3 259.324 3.772 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1[O-] ZINC000364363105 1120567850 /nfs/dbraw/zinc/56/78/50/1120567850.db2.gz NFNXGWYUKADYFJ-DIECFANBSA-N 0 3 289.419 3.637 20 10 CHCDHN COc1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1C ZINC000922672061 1120575009 /nfs/dbraw/zinc/57/50/09/1120575009.db2.gz KQCNDAAJTYBORA-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CC2C(C)(C)C2(C)C)c1[O-] ZINC000229053091 1120599161 /nfs/dbraw/zinc/59/91/61/1120599161.db2.gz NLKKAVUPJIATGG-UHFFFAOYSA-N 0 3 297.826 3.826 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CCOCC2CCCC2)c([O-])c1 ZINC000313299081 1120706495 /nfs/dbraw/zinc/70/64/95/1120706495.db2.gz NDERGAWVHBZZHL-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(C)c(C)n2)c1 ZINC000314352811 1120932623 /nfs/dbraw/zinc/93/26/23/1120932623.db2.gz WIASFLMRXAYCAW-CQSZACIVSA-N 0 3 270.376 3.563 20 10 CHCDHN Cc1ccccc1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000094182665 1120980183 /nfs/dbraw/zinc/98/01/83/1120980183.db2.gz UIGCJAVNVXCHQE-AWEZNQCLSA-N 0 3 255.361 3.594 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000078680581 1128955097 /nfs/dbraw/zinc/95/50/97/1128955097.db2.gz RXFRELYLZWRFOJ-SFHVURJKSA-N 0 3 297.398 3.573 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000078680581 1128955098 /nfs/dbraw/zinc/95/50/98/1128955098.db2.gz RXFRELYLZWRFOJ-SFHVURJKSA-N 0 3 297.398 3.573 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1cnccn1 ZINC000282498666 1121033791 /nfs/dbraw/zinc/03/37/91/1121033791.db2.gz QQIIYRFRTSHYLN-AWEZNQCLSA-N 0 3 285.391 3.546 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1cnccn1 ZINC000282498666 1121033800 /nfs/dbraw/zinc/03/38/00/1121033800.db2.gz QQIIYRFRTSHYLN-AWEZNQCLSA-N 0 3 285.391 3.546 20 10 CHCDHN COCc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000038010616 1121094295 /nfs/dbraw/zinc/09/42/95/1121094295.db2.gz SWXZPZKGBYEGPY-CQSZACIVSA-N 0 3 285.387 3.698 20 10 CHCDHN CCc1cnccc1[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC000773427432 1121098669 /nfs/dbraw/zinc/09/86/69/1121098669.db2.gz LWBNPTWBCOBMAV-CQSZACIVSA-N 0 3 284.403 3.812 20 10 CHCDHN CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228794005 1121191999 /nfs/dbraw/zinc/19/19/99/1121191999.db2.gz UZNYOWUOIKXXCT-NJZAAPMLSA-N 0 3 265.422 3.717 20 10 CHCDHN Cc1cccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000094618073 1121215805 /nfs/dbraw/zinc/21/58/05/1121215805.db2.gz PGGNVBJGOFWQIX-ZDUSSCGKSA-N 0 3 273.351 3.733 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1F ZINC000094952896 1121247706 /nfs/dbraw/zinc/24/77/06/1121247706.db2.gz MLKZVUCOUNMNMN-ZDUSSCGKSA-N 0 3 285.362 3.920 20 10 CHCDHN CCCC[N@H+](Cc1ccncc1)Cc1ccccc1[O-] ZINC000282547274 1121589392 /nfs/dbraw/zinc/58/93/92/1121589392.db2.gz WQLLGPOOZXCSMD-UHFFFAOYSA-N 0 3 270.376 3.590 20 10 CHCDHN CCCC[N@@H+](Cc1ccncc1)Cc1ccccc1[O-] ZINC000282547274 1121589396 /nfs/dbraw/zinc/58/93/96/1121589396.db2.gz WQLLGPOOZXCSMD-UHFFFAOYSA-N 0 3 270.376 3.590 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCC(F)(F)CC2)c([O-])c1 ZINC000688499271 1129003947 /nfs/dbraw/zinc/00/39/47/1129003947.db2.gz INVPTEGQTVLYTE-LLVKDONJSA-N 0 3 269.335 3.929 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C2CCC(F)(F)CC2)c([O-])c1 ZINC000688499272 1129003959 /nfs/dbraw/zinc/00/39/59/1129003959.db2.gz INVPTEGQTVLYTE-NSHDSACASA-N 0 3 269.335 3.929 20 10 CHCDHN Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccccc2[O-])o1 ZINC001179489801 1121882869 /nfs/dbraw/zinc/88/28/69/1121882869.db2.gz VQISXHCGJLTTTI-GFCCVEGCSA-N 0 3 297.358 3.535 20 10 CHCDHN CC(C)(C)OCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847683 1121887297 /nfs/dbraw/zinc/88/72/97/1121887297.db2.gz MEPSXXIMSVLHHM-UHFFFAOYSA-N 0 3 291.435 3.952 20 10 CHCDHN CC(C)(C)OCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847683 1121887303 /nfs/dbraw/zinc/88/73/03/1121887303.db2.gz MEPSXXIMSVLHHM-UHFFFAOYSA-N 0 3 291.435 3.952 20 10 CHCDHN COc1cc(C)c(C[NH+]2C3CCCC2CCC3)c([O-])c1 ZINC001179877161 1121924109 /nfs/dbraw/zinc/92/41/09/1121924109.db2.gz AIGWFAIBMWSWCL-UHFFFAOYSA-N 0 3 275.392 3.616 20 10 CHCDHN CC(C)C[C@H]1COCCN1Cc1cc(C(C)C)ccc1O ZINC001180267102 1121968940 /nfs/dbraw/zinc/96/89/40/1121968940.db2.gz OEDSCJNAWRTIML-KRWDZBQOSA-N 0 3 291.435 3.763 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001204277263 1122008248 /nfs/dbraw/zinc/00/82/48/1122008248.db2.gz XMLXTRAEDYJVPL-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001204277263 1122008253 /nfs/dbraw/zinc/00/82/53/1122008253.db2.gz XMLXTRAEDYJVPL-INIZCTEOSA-N 0 3 287.334 3.574 20 10 CHCDHN COc1ccc(C[NH+]2CCCCCCCC2)c([O-])c1OC ZINC001181818983 1122083321 /nfs/dbraw/zinc/08/33/21/1122083321.db2.gz RKPKNGWGURBVBD-UHFFFAOYSA-N 0 3 293.407 3.566 20 10 CHCDHN CCOCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779598371 1129030914 /nfs/dbraw/zinc/03/09/14/1129030914.db2.gz HBQIIKKMVIOCCL-UHFFFAOYSA-N 0 3 285.387 3.528 20 10 CHCDHN CCOCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000779598371 1129030918 /nfs/dbraw/zinc/03/09/18/1129030918.db2.gz HBQIIKKMVIOCCL-UHFFFAOYSA-N 0 3 285.387 3.528 20 10 CHCDHN FC(F)(F)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321930 1122116027 /nfs/dbraw/zinc/11/60/27/1122116027.db2.gz MAWYZDLJXZWWMO-CQSZACIVSA-N 0 3 298.352 3.671 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1[O-] ZINC000271814019 1122176450 /nfs/dbraw/zinc/17/64/50/1122176450.db2.gz LHXVBRCWJOUQGU-LSDHHAIUSA-N 0 3 297.826 3.647 20 10 CHCDHN COc1cc(C)c(C[NH2+][C@H]2CCc3ccc(C)cc32)c([O-])c1 ZINC001182683729 1122182611 /nfs/dbraw/zinc/18/26/11/1122182611.db2.gz FSHRCKZNSGQAGB-SFHVURJKSA-N 0 3 297.398 3.795 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001182969778 1122198494 /nfs/dbraw/zinc/19/84/94/1122198494.db2.gz JVEBMEVLFDACBV-CYBMUJFWSA-N 0 3 263.356 3.543 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001182969778 1122198497 /nfs/dbraw/zinc/19/84/97/1122198497.db2.gz JVEBMEVLFDACBV-CYBMUJFWSA-N 0 3 263.356 3.543 20 10 CHCDHN COCC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(C)o1 ZINC000272812067 1122213562 /nfs/dbraw/zinc/21/35/62/1122213562.db2.gz DGYZMDKKFMGFAW-HIFRSBDPSA-N 0 3 289.375 3.722 20 10 CHCDHN Cc1cccc2oc(CC[NH2+][C@@H](C)c3ccccc3[O-])nc21 ZINC000272872612 1122214677 /nfs/dbraw/zinc/21/46/77/1122214677.db2.gz OYBDDUCKMAPUJA-ZDUSSCGKSA-N 0 3 296.370 3.735 20 10 CHCDHN CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1Cc2cccc([O-])c2C1 ZINC001183454572 1122224139 /nfs/dbraw/zinc/22/41/39/1122224139.db2.gz MHLFGBRQEDGYBA-DZGCQCFKSA-N 0 3 257.377 3.700 20 10 CHCDHN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1Cc2cccc([O-])c2C1 ZINC001183454572 1122224142 /nfs/dbraw/zinc/22/41/42/1122224142.db2.gz MHLFGBRQEDGYBA-DZGCQCFKSA-N 0 3 257.377 3.700 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccccc2F)c(O)c1C ZINC000273362767 1122230856 /nfs/dbraw/zinc/23/08/56/1122230856.db2.gz DIRYUOPKIGHFIZ-ZDUSSCGKSA-N 0 3 273.351 3.999 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2cn3cc(C)ccc3n2)c(O)c1 ZINC000273613411 1122240745 /nfs/dbraw/zinc/24/07/45/1122240745.db2.gz WTGQFGYVWKWQEM-CQSZACIVSA-N 0 3 295.386 3.508 20 10 CHCDHN CC[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccccc1[O-] ZINC000192907394 1129046742 /nfs/dbraw/zinc/04/67/42/1129046742.db2.gz XQMRTVSJKPDIMO-ZWKOTPCHSA-N 0 3 298.430 3.736 20 10 CHCDHN CCCCC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203622301 1122354390 /nfs/dbraw/zinc/35/43/90/1122354390.db2.gz XKLXXBXATZHXPP-UHFFFAOYSA-N 0 3 277.408 3.803 20 10 CHCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N(C)Cc1ccccc1 ZINC000183506640 1129058852 /nfs/dbraw/zinc/05/88/52/1129058852.db2.gz JRMVWLVLLHTXJL-HZPDHXFCSA-N 0 3 298.430 3.563 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000183514169 1129059700 /nfs/dbraw/zinc/05/97/00/1129059700.db2.gz XJGCZCLLONZOOY-HZPDHXFCSA-N 0 3 296.414 3.712 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccc(C)cc1)c1ccccc1[O-] ZINC000775412536 1122555404 /nfs/dbraw/zinc/55/54/04/1122555404.db2.gz OAGLFLVNRBXTKQ-KRWDZBQOSA-N 0 3 269.388 3.984 20 10 CHCDHN C[N@H+](CCCSC(C)(C)C)Cc1ccccc1[O-] ZINC001191681853 1122608437 /nfs/dbraw/zinc/60/84/37/1122608437.db2.gz JGXSPLZDVUVWDK-UHFFFAOYSA-N 0 3 267.438 3.746 20 10 CHCDHN C[N@@H+](CCCSC(C)(C)C)Cc1ccccc1[O-] ZINC001191681853 1122608440 /nfs/dbraw/zinc/60/84/40/1122608440.db2.gz JGXSPLZDVUVWDK-UHFFFAOYSA-N 0 3 267.438 3.746 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000775486516 1122616831 /nfs/dbraw/zinc/61/68/31/1122616831.db2.gz COAMLESNKKFORQ-INMHGKMJSA-N 0 3 290.451 3.553 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)COc1ccccc1)c1ccccc1[O-] ZINC000775495872 1122624278 /nfs/dbraw/zinc/62/42/78/1122624278.db2.gz DYECPANTQMFFKX-YOEHRIQHSA-N 0 3 285.387 3.900 20 10 CHCDHN CC[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccccc1[O-] ZINC000775502972 1122630982 /nfs/dbraw/zinc/63/09/82/1122630982.db2.gz ZHCZGPFXDOFQKM-UXLLHSPISA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1[O-] ZINC000775502973 1122631606 /nfs/dbraw/zinc/63/16/06/1122631606.db2.gz ZHCZGPFXDOFQKM-ZOBUZTSGSA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1ccccc1[O-] ZINC000775524497 1122642807 /nfs/dbraw/zinc/64/28/07/1122642807.db2.gz APNUEOUFYRDOHK-KGLIPLIRSA-N 0 3 291.416 3.536 20 10 CHCDHN CC[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccccc1[O-] ZINC000775525603 1122645712 /nfs/dbraw/zinc/64/57/12/1122645712.db2.gz XNBOUEDVOWTRPY-WBAXXEDZSA-N 0 3 299.414 3.598 20 10 CHCDHN CC(C)OC1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183627224 1129072708 /nfs/dbraw/zinc/07/27/08/1129072708.db2.gz ULPWRGLQDPNJEL-NFOMZHRRSA-N 0 3 277.408 3.779 20 10 CHCDHN Cc1cc2cc(C[NH2+][C@@H]3CCc4cccc([O-])c43)ccc2[nH]1 ZINC000297309300 1122793145 /nfs/dbraw/zinc/79/31/45/1122793145.db2.gz MTEJWVYXPNJTHJ-QGZVFWFLSA-N 0 3 292.382 3.959 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1[O-] ZINC000775692927 1122911306 /nfs/dbraw/zinc/91/13/06/1122911306.db2.gz QPGGGFXDRIJAPZ-LBPRGKRZSA-N 0 3 291.778 3.937 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1[O-] ZINC000775692927 1122911309 /nfs/dbraw/zinc/91/13/09/1122911309.db2.gz QPGGGFXDRIJAPZ-LBPRGKRZSA-N 0 3 291.778 3.937 20 10 CHCDHN Cc1cccc(CN2CC[C@@H]2c2cccc(F)c2)c1O ZINC000775726650 1122927751 /nfs/dbraw/zinc/92/77/51/1122927751.db2.gz YTQAHJWSAGHSCM-MRXNPFEDSA-N 0 3 271.335 3.787 20 10 CHCDHN CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775736966 1122928396 /nfs/dbraw/zinc/92/83/96/1122928396.db2.gz ILUUJUATUVMVHB-LLVKDONJSA-N 0 3 253.773 3.586 20 10 CHCDHN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000775736966 1122928401 /nfs/dbraw/zinc/92/84/01/1122928401.db2.gz ILUUJUATUVMVHB-LLVKDONJSA-N 0 3 253.773 3.586 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000775737053 1122928860 /nfs/dbraw/zinc/92/88/60/1122928860.db2.gz NXWGJKWGEHFONA-GXSJLCMTSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000775737053 1122928865 /nfs/dbraw/zinc/92/88/65/1122928865.db2.gz NXWGJKWGEHFONA-GXSJLCMTSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1ccc(CC[NH2+]Cc2cc(Cl)cc(C)c2[O-])o1 ZINC000775981698 1123030763 /nfs/dbraw/zinc/03/07/63/1123030763.db2.gz JQPQGISPPBODRE-UHFFFAOYSA-N 0 3 279.767 3.588 20 10 CHCDHN CN(C)c1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000284064538 1123145728 /nfs/dbraw/zinc/14/57/28/1123145728.db2.gz LALJAZUUMSPHBA-LJQANCHMSA-N 0 3 296.414 3.625 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)c1[O-] ZINC000850523805 1123279784 /nfs/dbraw/zinc/27/97/84/1123279784.db2.gz POSWUSCFRWMVEB-YPMHNXCESA-N 0 3 295.810 3.716 20 10 CHCDHN C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)c2c1c(F)ccc2[O-] ZINC000850531527 1123285357 /nfs/dbraw/zinc/28/53/57/1123285357.db2.gz LGESARSSHVHUPV-GXFFZTMASA-N 0 3 275.323 3.505 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c([O-])c1 ZINC000850553588 1123289756 /nfs/dbraw/zinc/28/97/56/1123289756.db2.gz ZEXGILRLJMNFKZ-ZWNOBZJWSA-N 0 3 269.335 3.643 20 10 CHCDHN CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(C)cc1[O-] ZINC000850570395 1123294346 /nfs/dbraw/zinc/29/43/46/1123294346.db2.gz GWAPYVALFBJQGD-HIFRSBDPSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccccc1[O-] ZINC000271737215 1129114798 /nfs/dbraw/zinc/11/47/98/1129114798.db2.gz UKXMZQHRQSDKKT-CYBMUJFWSA-N 0 3 276.405 3.706 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCOC2CCCCC2)c([O-])c1 ZINC000111635674 1123457533 /nfs/dbraw/zinc/45/75/33/1123457533.db2.gz CNVPQGRKJPGGBZ-CQSZACIVSA-N 0 3 277.408 3.701 20 10 CHCDHN C[C@@H]([NH2+]Cc1cccc2c1NCCC2)c1ccccc1[O-] ZINC000895459777 1123481956 /nfs/dbraw/zinc/48/19/56/1123481956.db2.gz IJDCXNHUAADCFK-CYBMUJFWSA-N 0 3 282.387 3.601 20 10 CHCDHN Cc1ccc(C[NH2+]CC[C@H]2CCCC2(F)F)c([O-])c1 ZINC000895546061 1123491269 /nfs/dbraw/zinc/49/12/69/1123491269.db2.gz YHHPTDHTADMFKF-CYBMUJFWSA-N 0 3 269.335 3.616 20 10 CHCDHN Cc1cc(Cl)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC001237681090 1129128017 /nfs/dbraw/zinc/12/80/17/1129128017.db2.gz KYLCTESTTFMLEQ-STQMWFEESA-N 0 3 279.811 3.976 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)CC2 ZINC000857080439 1123584684 /nfs/dbraw/zinc/58/46/84/1123584684.db2.gz GMZPYJFFPITURH-MNOVXSKESA-N 0 3 286.202 3.553 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)c2c1c(F)ccc2[O-] ZINC000857082195 1123586032 /nfs/dbraw/zinc/58/60/32/1123586032.db2.gz UQVBZMUNPQCGOE-WCABBAIRSA-N 0 3 285.309 3.715 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)/C=C/Cl)c1[O-] ZINC000896747419 1123618488 /nfs/dbraw/zinc/61/84/88/1123618488.db2.gz LNOQQPJCBJISOK-SNAWJCMRSA-N 0 3 290.190 3.675 20 10 CHCDHN Cc1cc(CNCc2ccn(C)c2)c(C)n1-c1ccccc1 ZINC000858293854 1123642611 /nfs/dbraw/zinc/64/26/11/1123642611.db2.gz REFJGVTZHPMOJU-UHFFFAOYSA-N 0 3 293.414 3.722 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccccc1[O-] ZINC000858452528 1123655409 /nfs/dbraw/zinc/65/54/09/1123655409.db2.gz FHJPMVOPZNTLSV-WMZOPIPTSA-N 0 3 297.398 3.574 20 10 CHCDHN Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCc3cccc([O-])c32)nc1 ZINC000858487796 1123657456 /nfs/dbraw/zinc/65/74/56/1123657456.db2.gz IPCSARFWOPTALP-OAHLLOKOSA-N 0 3 296.414 3.650 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])c1ccccc1 ZINC000083411186 1129150107 /nfs/dbraw/zinc/15/01/07/1129150107.db2.gz ZSJXZABVXYEULM-INIZCTEOSA-N 0 3 255.361 3.942 20 10 CHCDHN CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000192946470 1123866788 /nfs/dbraw/zinc/86/67/88/1123866788.db2.gz FLRSDLXLTQANGA-STQMWFEESA-N 0 3 298.386 3.762 20 10 CHCDHN CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000192946505 1123867358 /nfs/dbraw/zinc/86/73/58/1123867358.db2.gz FLRSDLXLTQANGA-CHWSQXEVSA-N 0 3 298.386 3.762 20 10 CHCDHN CC[C@H]([NH2+]CCc1ccccc1)c1ccc(C)cc1[O-] ZINC000794791559 1123949137 /nfs/dbraw/zinc/94/91/37/1123949137.db2.gz AUDGTSJDKLONPK-KRWDZBQOSA-N 0 3 269.388 3.984 20 10 CHCDHN CC[C@H]([NH2+]CCSC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794796379 1123949362 /nfs/dbraw/zinc/94/93/62/1123949362.db2.gz KALTUVALLYXJBG-NSHDSACASA-N 0 3 293.354 3.994 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(C)cc1[O-] ZINC000794799977 1123950864 /nfs/dbraw/zinc/95/08/64/1123950864.db2.gz ASYDBTZTPCUUHI-YOEHRIQHSA-N 0 3 284.403 3.768 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1ccc(C)cc1[O-] ZINC000794801681 1123950913 /nfs/dbraw/zinc/95/09/13/1123950913.db2.gz JWTKUVDISCBWOU-KDOFPFPSSA-N 0 3 299.414 3.995 20 10 CHCDHN CC[C@H]([NH2+]CCN1CCCCCC1)c1ccc(C)cc1[O-] ZINC000794793366 1123951032 /nfs/dbraw/zinc/95/10/32/1123951032.db2.gz NXCMGORVFSVFGF-KRWDZBQOSA-N 0 3 290.451 3.617 20 10 CHCDHN CC[C@H]([NH2+]CCCCCOC)c1ccc(C)cc1[O-] ZINC000794803515 1123952064 /nfs/dbraw/zinc/95/20/64/1123952064.db2.gz JMPUBPFTFORYLR-HNNXBMFYSA-N 0 3 265.397 3.558 20 10 CHCDHN CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(C)cc1[O-] ZINC000794804588 1123953117 /nfs/dbraw/zinc/95/31/17/1123953117.db2.gz VDWUERMIXLWQSS-OAHLLOKOSA-N 0 3 259.393 3.930 20 10 CHCDHN CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(C)cc1[O-] ZINC000794806276 1123955833 /nfs/dbraw/zinc/95/58/33/1123955833.db2.gz ZSUJAZFQANNXRN-CGTJXYLNSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(C)cc1[O-] ZINC000794815570 1123956992 /nfs/dbraw/zinc/95/69/92/1123956992.db2.gz WJYJNXDGDXEEIL-YPMHNXCESA-N 0 3 269.335 3.929 20 10 CHCDHN CC[C@@H]([NH2+]CCC(F)(F)F)c1ccc(C)cc1[O-] ZINC000794812563 1123958831 /nfs/dbraw/zinc/95/88/31/1123958831.db2.gz XFOIDRJLYNCUEZ-LLVKDONJSA-N 0 3 261.287 3.694 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000794811924 1123959887 /nfs/dbraw/zinc/95/98/87/1123959887.db2.gz UTNHRGDYIKGPQR-YCPHGPKFSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1ccc(C)cc1[O-] ZINC000794817112 1123959973 /nfs/dbraw/zinc/95/99/73/1123959973.db2.gz MYHXOYXZTZMCPZ-WBVHZDCISA-N 0 3 291.435 3.538 20 10 CHCDHN CC[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(C)cc1[O-] ZINC000866401597 1124062679 /nfs/dbraw/zinc/06/26/79/1124062679.db2.gz BEDWOIYKYSKALX-UKRRQHHQSA-N 0 3 279.449 3.885 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCSC2)c2c1c(F)ccc2[O-] ZINC000866402434 1124063090 /nfs/dbraw/zinc/06/30/90/1124063090.db2.gz JQWUGAGBTGJQLZ-WZRBSPASSA-N 0 3 295.423 3.812 20 10 CHCDHN Cc1ccc(O)c([C@@H](C)NCc2cccc(F)c2F)c1 ZINC000866476498 1124069613 /nfs/dbraw/zinc/06/96/13/1124069613.db2.gz OCABQTSFRZETOK-LLVKDONJSA-N 0 3 277.314 3.830 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)c([O-])c1 ZINC000866529663 1124078966 /nfs/dbraw/zinc/07/89/66/1124078966.db2.gz RJXDFCMBXDFFCP-LSDHHAIUSA-N 0 3 289.419 3.558 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccccc1[O-] ZINC000866562730 1124083385 /nfs/dbraw/zinc/08/33/85/1124083385.db2.gz GNWZXAPBGPWMEB-ZWKOTPCHSA-N 0 3 296.414 3.620 20 10 CHCDHN C[C@H]1C[C@H]([NH2+]CCCC(F)F)c2c1c(F)ccc2[O-] ZINC001119607228 1131259643 /nfs/dbraw/zinc/25/96/43/1131259643.db2.gz ZDOJKWLARDQFGJ-WPRPVWTQSA-N 0 3 273.298 3.715 20 10 CHCDHN C[C@H]([NH2+]C1CC(Nc2ccccc2)C1)c1ccccc1[O-] ZINC000872133230 1124692312 /nfs/dbraw/zinc/69/23/12/1124692312.db2.gz NVFRQYXJUNEEHP-JEYLPNPQSA-N 0 3 282.387 3.686 20 10 CHCDHN C[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)c1ccccc1[O-] ZINC000872133229 1124692497 /nfs/dbraw/zinc/69/24/97/1124692497.db2.gz NVFRQYXJUNEEHP-IUDNXUCKSA-N 0 3 282.387 3.686 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872721385 1124728147 /nfs/dbraw/zinc/72/81/47/1124728147.db2.gz FOYCPQFUFMWBLJ-CABCVRRESA-N 0 3 299.439 3.730 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872721385 1124728155 /nfs/dbraw/zinc/72/81/55/1124728155.db2.gz FOYCPQFUFMWBLJ-CABCVRRESA-N 0 3 299.439 3.730 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CCCn1ccc2ccccc21 ZINC000020188702 1124811379 /nfs/dbraw/zinc/81/13/79/1124811379.db2.gz XLKYUMRECGGREY-UHFFFAOYSA-N 0 3 280.371 3.527 20 10 CHCDHN C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccccc1[O-] ZINC000020827438 1124878761 /nfs/dbraw/zinc/87/87/61/1124878761.db2.gz MVAPOAAEKPPJKF-MRXNPFEDSA-N 0 3 298.430 3.565 20 10 CHCDHN Cc1cccc([O-])c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000876659912 1124968018 /nfs/dbraw/zinc/96/80/18/1124968018.db2.gz JLEBCYNHEVJWCJ-UHFFFAOYSA-N 0 3 289.419 3.624 20 10 CHCDHN Cc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c(O)c1 ZINC000876946429 1124991794 /nfs/dbraw/zinc/99/17/94/1124991794.db2.gz QYMUWTZBQIPMTM-SWLSCSKDSA-N 0 3 271.360 3.707 20 10 CHCDHN Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C)cc1[O-] ZINC000876973326 1124993850 /nfs/dbraw/zinc/99/38/50/1124993850.db2.gz DMGJVWDPWVEMRF-KRWDZBQOSA-N 0 3 267.372 3.786 20 10 CHCDHN COc1cc(Cl)ccc1CNCc1c(C)cccc1O ZINC000877046838 1125002573 /nfs/dbraw/zinc/00/25/73/1125002573.db2.gz QBGRWZDTAIMWKX-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000877082499 1125007392 /nfs/dbraw/zinc/00/73/92/1125007392.db2.gz WFYVQXQLPZZOTM-INIZCTEOSA-N 0 3 284.403 3.625 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c([O-])c1 ZINC000877133653 1125013674 /nfs/dbraw/zinc/01/36/74/1125013674.db2.gz FUJLSVVXKLLCPK-MJGOQNOKSA-N 0 3 297.398 3.568 20 10 CHCDHN CSCc1cccc(C[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000877462685 1125029693 /nfs/dbraw/zinc/02/96/93/1125029693.db2.gz VXGDVMKDYILFTG-UHFFFAOYSA-N 0 3 287.428 3.853 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)c([O-])c1 ZINC000877475890 1125030331 /nfs/dbraw/zinc/03/03/31/1125030331.db2.gz PRCGWYWDHCGCJW-NSHDSACASA-N 0 3 275.314 3.911 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)c([O-])c1 ZINC000877473290 1125030565 /nfs/dbraw/zinc/03/05/65/1125030565.db2.gz KMZSCHWYLDPSNX-UHFFFAOYSA-N 0 3 267.372 3.868 20 10 CHCDHN CSCC1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877561615 1125045346 /nfs/dbraw/zinc/04/53/46/1125045346.db2.gz OZVIGVXJOBMHLF-UHFFFAOYSA-N 0 3 279.449 3.712 20 10 CHCDHN Cc1ccc(C[NH2+][C@H](C)CCCc2cccnc2)c([O-])c1 ZINC000877584167 1125048736 /nfs/dbraw/zinc/04/87/36/1125048736.db2.gz PGMUUDUURNMJKM-OAHLLOKOSA-N 0 3 284.403 3.597 20 10 CHCDHN CC(C)(C)OC1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000877684050 1125063231 /nfs/dbraw/zinc/06/32/31/1125063231.db2.gz OFOJWCDIGSISFX-UHFFFAOYSA-N 0 3 295.398 3.747 20 10 CHCDHN Cc1cccc([O-])c1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000877697858 1125064354 /nfs/dbraw/zinc/06/43/54/1125064354.db2.gz OKGGLPCTSGIWJB-KRWDZBQOSA-N 0 3 289.419 3.530 20 10 CHCDHN Cc1scc(CN2Cc3cccc(O)c3C2)c1C ZINC000877702761 1125066346 /nfs/dbraw/zinc/06/63/46/1125066346.db2.gz GTORPPLFNGEONC-UHFFFAOYSA-N 0 3 259.374 3.586 20 10 CHCDHN C[C@H](CCC(F)(F)F)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755633 1125072475 /nfs/dbraw/zinc/07/24/75/1125072475.db2.gz IUYDFVRXPOUCER-NXEZZACHSA-N 0 3 261.287 3.774 20 10 CHCDHN Cc1ccc(F)c(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000877756513 1125072970 /nfs/dbraw/zinc/07/29/70/1125072970.db2.gz OIEUJQQJUDXUND-GFCCVEGCSA-N 0 3 259.324 3.691 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(F)c1 ZINC000877758085 1125074290 /nfs/dbraw/zinc/07/42/90/1125074290.db2.gz IHQSBOAQIVLYKK-LBPRGKRZSA-N 0 3 259.324 3.691 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)C1CCSCC1)c1ccccc1[O-] ZINC000877758152 1125074762 /nfs/dbraw/zinc/07/47/62/1125074762.db2.gz KWPAHUYBZNFWQH-RYUDHWBXSA-N 0 3 265.422 3.575 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[O-] ZINC000877756887 1125075169 /nfs/dbraw/zinc/07/51/69/1125075169.db2.gz BVOAYNYNDAAAAI-WWGRRREGSA-N 0 3 277.408 3.637 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1C ZINC000877756585 1125075265 /nfs/dbraw/zinc/07/52/65/1125075265.db2.gz VSHQVRWNKTWYBX-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879650897 1125224712 /nfs/dbraw/zinc/22/47/12/1125224712.db2.gz VYGBBRCLSQCFHR-AWEZNQCLSA-N 0 3 284.403 3.699 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000228670559 1125250773 /nfs/dbraw/zinc/25/07/73/1125250773.db2.gz LOAQSJXTHRIJCL-ZWNOBZJWSA-N 0 3 283.799 3.723 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)nc1 ZINC000760170169 1125285432 /nfs/dbraw/zinc/28/54/32/1125285432.db2.gz INWCJHIKSFEFIP-NSHDSACASA-N 0 3 288.778 3.521 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])cc1C ZINC000897414496 1125317642 /nfs/dbraw/zinc/31/76/42/1125317642.db2.gz DTTYTZVDEREWJN-CQSZACIVSA-N 0 3 285.387 3.868 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccns2)c1[O-] ZINC000883247716 1125384468 /nfs/dbraw/zinc/38/44/68/1125384468.db2.gz TWCRHGCGDWOESG-JTQLQIEISA-N 0 3 296.823 3.704 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CC)c1[O-] ZINC000131545785 1125397657 /nfs/dbraw/zinc/39/76/57/1125397657.db2.gz YBBMYPOKXGZUGR-AWEZNQCLSA-N 0 3 263.381 3.555 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H]2CC)c1[O-] ZINC000131545785 1125397660 /nfs/dbraw/zinc/39/76/60/1125397660.db2.gz YBBMYPOKXGZUGR-AWEZNQCLSA-N 0 3 263.381 3.555 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccccc21 ZINC000131989376 1125412578 /nfs/dbraw/zinc/41/25/78/1125412578.db2.gz FNTHSZYBHBZQCE-MRXNPFEDSA-N 0 3 253.345 3.512 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCc2ccccc21 ZINC000131989376 1125412579 /nfs/dbraw/zinc/41/25/79/1125412579.db2.gz FNTHSZYBHBZQCE-MRXNPFEDSA-N 0 3 253.345 3.512 20 10 CHCDHN CCN(Cc1ccncc1)Cc1ccc(N(CC)CC)cc1 ZINC000027907755 1125412819 /nfs/dbraw/zinc/41/28/19/1125412819.db2.gz FGIJKZJJXRZACL-UHFFFAOYSA-N 0 3 297.446 3.950 20 10 CHCDHN CSC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001258324813 1129200296 /nfs/dbraw/zinc/20/02/96/1129200296.db2.gz XIUOZJMZJLSEBO-RYUDHWBXSA-N 0 3 267.438 3.963 20 10 CHCDHN COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296095476 1129220322 /nfs/dbraw/zinc/22/03/22/1129220322.db2.gz UCKQXESTYMORDI-IUODEOHRSA-N 0 3 283.371 3.739 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC2(CC2)C1 ZINC000184867467 1129260382 /nfs/dbraw/zinc/26/03/82/1129260382.db2.gz ATLZALWYJWFTAU-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCC2(CC2)C1 ZINC000184867467 1129260386 /nfs/dbraw/zinc/26/03/86/1129260386.db2.gz ATLZALWYJWFTAU-UHFFFAOYSA-N 0 3 267.372 3.921 20 10 CHCDHN C[C@@H]([NH2+]CCSc1ccccc1)c1ccccc1[O-] ZINC000037904076 1129290534 /nfs/dbraw/zinc/29/05/34/1129290534.db2.gz LPVINAXLNYTWQD-CYBMUJFWSA-N 0 3 273.401 3.835 20 10 CHCDHN CC[C@@H](NCc1nc2c(s1)CCC2)c1ccccc1O ZINC000719570642 1129344999 /nfs/dbraw/zinc/34/49/99/1129344999.db2.gz KZGOTVSQPFEJML-GFCCVEGCSA-N 0 3 288.416 3.578 20 10 CHCDHN C[N@H+](Cc1cccc2[nH]ccc21)Cc1ccccc1[O-] ZINC000091974694 1129376477 /nfs/dbraw/zinc/37/64/77/1129376477.db2.gz SMNBVPNGKRHARY-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN C[N@@H+](Cc1cccc2[nH]ccc21)Cc1ccccc1[O-] ZINC000091974694 1129376480 /nfs/dbraw/zinc/37/64/80/1129376480.db2.gz SMNBVPNGKRHARY-UHFFFAOYSA-N 0 3 266.344 3.506 20 10 CHCDHN Cc1ccc(O)c(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000092486525 1129395660 /nfs/dbraw/zinc/39/56/60/1129395660.db2.gz HVCFHJHLHWILHV-BEFAXECRSA-N 0 3 297.398 3.663 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)C[C@H]3C)c2c1 ZINC000740860579 1129420817 /nfs/dbraw/zinc/42/08/17/1129420817.db2.gz QWHCKEBXBPBETR-QWHCGFSZSA-N 0 3 285.387 3.784 20 10 CHCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)C[C@H]3C)c2c1 ZINC000740860579 1129420819 /nfs/dbraw/zinc/42/08/19/1129420819.db2.gz QWHCKEBXBPBETR-QWHCGFSZSA-N 0 3 285.387 3.784 20 10 CHCDHN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2[O-])C1 ZINC000093868829 1129428579 /nfs/dbraw/zinc/42/85/79/1129428579.db2.gz YRIXGWKYTNNNDG-UONOGXRCSA-N 0 3 295.448 3.507 20 10 CHCDHN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2[O-])C1 ZINC000093868829 1129428581 /nfs/dbraw/zinc/42/85/81/1129428581.db2.gz YRIXGWKYTNNNDG-UONOGXRCSA-N 0 3 295.448 3.507 20 10 CHCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2[O-])C12CCC2 ZINC000248894978 1129430641 /nfs/dbraw/zinc/43/06/41/1129430641.db2.gz UPNGIJQUSVSVEX-HYVNUMGLSA-N 0 3 289.419 3.781 20 10 CHCDHN Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618498 1129448474 /nfs/dbraw/zinc/44/84/74/1129448474.db2.gz MXLRLZDTOUCPPL-RKDXNWHRSA-N 0 3 278.327 3.548 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000094618069 1129448555 /nfs/dbraw/zinc/44/85/55/1129448555.db2.gz VUKXPMSTGKLXQJ-LRDDRELGSA-N 0 3 285.362 3.739 20 10 CHCDHN COc1cc(Cl)cc(CN2CCC(C)=C(C)C2)c1O ZINC000796017643 1129463950 /nfs/dbraw/zinc/46/39/50/1129463950.db2.gz JBSCGRMFRISYHZ-UHFFFAOYSA-N 0 3 281.783 3.596 20 10 CHCDHN Cc1cc(O)c(CNCc2ccc(Cl)o2)cc1C ZINC000742366299 1129472047 /nfs/dbraw/zinc/47/20/47/1129472047.db2.gz SVTPEWQMAUSSPX-UHFFFAOYSA-N 0 3 265.740 3.545 20 10 CHCDHN CC[C@H]([NH2+]CCc1ncc(C)cc1C)c1ccccc1[O-] ZINC000828156126 1131378912 /nfs/dbraw/zinc/37/89/12/1131378912.db2.gz WPVASPCUXGWXAQ-INIZCTEOSA-N 0 3 284.403 3.687 20 10 CHCDHN Oc1cc2c(cc1CN1CC[C@@H]1c1cccc(F)c1)CCC2 ZINC000743391699 1129522267 /nfs/dbraw/zinc/52/22/67/1129522267.db2.gz WSXIVBUIFPWIGV-GOSISDBHSA-N 0 3 297.373 3.967 20 10 CHCDHN CCC[N@H+](Cc1cccc(C)n1)Cc1ccccc1[O-] ZINC000743870676 1129542673 /nfs/dbraw/zinc/54/26/73/1129542673.db2.gz ZODXQPSDIVKUGG-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN CCC[N@@H+](Cc1cccc(C)n1)Cc1ccccc1[O-] ZINC000743870676 1129542674 /nfs/dbraw/zinc/54/26/74/1129542674.db2.gz ZODXQPSDIVKUGG-UHFFFAOYSA-N 0 3 270.376 3.508 20 10 CHCDHN Oc1ccccc1CNCc1cscc1Br ZINC000304510785 1129598386 /nfs/dbraw/zinc/59/83/86/1129598386.db2.gz DJTGLHHEQRUFPA-UHFFFAOYSA-N 0 3 298.205 3.506 20 10 CHCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1[O-] ZINC000252841180 1129598689 /nfs/dbraw/zinc/59/86/89/1129598689.db2.gz DBHQOHCKZFQTJF-GHMZBOCLSA-N 0 3 283.799 3.675 20 10 CHCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](C)CC[C@H]2C)c1[O-] ZINC000252841180 1129598694 /nfs/dbraw/zinc/59/86/94/1129598694.db2.gz DBHQOHCKZFQTJF-GHMZBOCLSA-N 0 3 283.799 3.675 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000720899851 1129718086 /nfs/dbraw/zinc/71/80/86/1129718086.db2.gz JUSCDZFIDSHABI-LLVKDONJSA-N 0 3 269.335 3.787 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](OCC)C1CC1 ZINC001169754849 1129754132 /nfs/dbraw/zinc/75/41/32/1129754132.db2.gz QFFZOVFYBNKIQD-SFHVURJKSA-N 0 3 291.435 3.809 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](OCC)C1CC1 ZINC001169754849 1129754134 /nfs/dbraw/zinc/75/41/34/1129754134.db2.gz QFFZOVFYBNKIQD-SFHVURJKSA-N 0 3 291.435 3.809 20 10 CHCDHN CCOc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC000768195636 1129842841 /nfs/dbraw/zinc/84/28/41/1129842841.db2.gz PESKWVSBQFCKGE-CQSZACIVSA-N 0 3 297.398 3.910 20 10 CHCDHN CCOc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC000768195636 1129842845 /nfs/dbraw/zinc/84/28/45/1129842845.db2.gz PESKWVSBQFCKGE-CQSZACIVSA-N 0 3 297.398 3.910 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000768226766 1129843521 /nfs/dbraw/zinc/84/35/21/1129843521.db2.gz CEVHSVFSBRIYCY-MRXNPFEDSA-N 0 3 297.398 3.608 20 10 CHCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000768226766 1129843526 /nfs/dbraw/zinc/84/35/26/1129843526.db2.gz CEVHSVFSBRIYCY-MRXNPFEDSA-N 0 3 297.398 3.608 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2cccc(C)c2)c([O-])c1 ZINC000768252733 1129847061 /nfs/dbraw/zinc/84/70/61/1129847061.db2.gz NQXGITOJZVBLJF-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2cccc(C)c2)c([O-])c1 ZINC000768252733 1129847065 /nfs/dbraw/zinc/84/70/65/1129847065.db2.gz NQXGITOJZVBLJF-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CCOc1ccc(C[N@H+](C)CCCc2ccccc2)c([O-])c1 ZINC000768337499 1129851800 /nfs/dbraw/zinc/85/18/00/1129851800.db2.gz QSKDGKIVKXNDKT-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)CCCc2ccccc2)c([O-])c1 ZINC000768337499 1129851805 /nfs/dbraw/zinc/85/18/05/1129851805.db2.gz QSKDGKIVKXNDKT-UHFFFAOYSA-N 0 3 299.414 3.856 20 10 CHCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CC2CCC1CC2 ZINC000381987308 1129853369 /nfs/dbraw/zinc/85/33/69/1129853369.db2.gz XBLKXEAFJJSWKV-UWLZSVRSSA-N 0 3 259.393 3.697 20 10 CHCDHN Cc1cc(Cl)nc(CN[C@H](C)c2cc(F)ccc2O)c1 ZINC000800496822 1129880051 /nfs/dbraw/zinc/88/00/51/1129880051.db2.gz YLLYLMMWUNVFLU-SNVBAGLBSA-N 0 3 294.757 3.739 20 10 CHCDHN COc1cccc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)c1[O-] ZINC000769164680 1129893063 /nfs/dbraw/zinc/89/30/63/1129893063.db2.gz KDKJBTWMFLMHOE-AWEZNQCLSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc(C[N@H+]2CCC[C@H]2CC(C)(C)C)c1[O-] ZINC000769164680 1129893068 /nfs/dbraw/zinc/89/30/68/1129893068.db2.gz KDKJBTWMFLMHOE-AWEZNQCLSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[N@H+](Cc1ccc2c(c1)COC2)Cc1ccccc1[O-] ZINC000769200675 1129895154 /nfs/dbraw/zinc/89/51/54/1129895154.db2.gz INOLUCPQCOFPEA-UHFFFAOYSA-N 0 3 297.398 3.835 20 10 CHCDHN CCC[N@@H+](Cc1ccc2c(c1)COC2)Cc1ccccc1[O-] ZINC000769200675 1129895157 /nfs/dbraw/zinc/89/51/57/1129895157.db2.gz INOLUCPQCOFPEA-UHFFFAOYSA-N 0 3 297.398 3.835 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000769317926 1129901626 /nfs/dbraw/zinc/90/16/26/1129901626.db2.gz ATMRIYFECMRIJX-CQSZACIVSA-N 0 3 285.387 3.636 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000769317926 1129901629 /nfs/dbraw/zinc/90/16/29/1129901629.db2.gz ATMRIYFECMRIJX-CQSZACIVSA-N 0 3 285.387 3.636 20 10 CHCDHN C[C@@H]1OCCN(Cc2cc(-c3ccccc3)ccc2O)[C@H]1C ZINC000769421999 1129907783 /nfs/dbraw/zinc/90/77/83/1129907783.db2.gz DZBTYNLANJJTIA-GJZGRUSLSA-N 0 3 297.398 3.668 20 10 CHCDHN COc1cccc([O-])c1C[N@H+](C)C1CCC(C)(C)CC1 ZINC000769448444 1129911168 /nfs/dbraw/zinc/91/11/68/1129911168.db2.gz QQVAPSGPFNNJGH-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN COc1cccc([O-])c1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000769448444 1129911169 /nfs/dbraw/zinc/91/11/69/1129911169.db2.gz QQVAPSGPFNNJGH-UHFFFAOYSA-N 0 3 277.408 3.801 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000769540457 1129913119 /nfs/dbraw/zinc/91/31/19/1129913119.db2.gz PZPBMULNHSFILF-IFXJQAMLSA-N 0 3 297.398 3.984 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000769540457 1129913121 /nfs/dbraw/zinc/91/31/21/1129913121.db2.gz PZPBMULNHSFILF-IFXJQAMLSA-N 0 3 297.398 3.984 20 10 CHCDHN CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769507488 1129914892 /nfs/dbraw/zinc/91/48/92/1129914892.db2.gz LXUUFHQTFWOPBG-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769507488 1129914895 /nfs/dbraw/zinc/91/48/95/1129914895.db2.gz LXUUFHQTFWOPBG-HIFRSBDPSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000769537610 1129916314 /nfs/dbraw/zinc/91/63/14/1129916314.db2.gz MSRKAEYMFXUEEJ-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000769537610 1129916317 /nfs/dbraw/zinc/91/63/17/1129916317.db2.gz MSRKAEYMFXUEEJ-UKRRQHHQSA-N 0 3 277.408 3.801 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1ncccc1C ZINC000801595275 1129931217 /nfs/dbraw/zinc/93/12/17/1129931217.db2.gz KMSDWGPADJCSSH-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1ncccc1C ZINC000801595275 1129931221 /nfs/dbraw/zinc/93/12/21/1129931221.db2.gz KMSDWGPADJCSSH-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@H+](CCCOC(C)C)Cc1ccccc1[O-] ZINC000801595714 1129932127 /nfs/dbraw/zinc/93/21/27/1129932127.db2.gz RBKXJJWBJNPYBE-UHFFFAOYSA-N 0 3 279.424 3.809 20 10 CHCDHN CCCC[N@@H+](CCCOC(C)C)Cc1ccccc1[O-] ZINC000801595714 1129932131 /nfs/dbraw/zinc/93/21/31/1129932131.db2.gz RBKXJJWBJNPYBE-UHFFFAOYSA-N 0 3 279.424 3.809 20 10 CHCDHN CN(C)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CC2)cc1 ZINC000770510094 1129948221 /nfs/dbraw/zinc/94/82/21/1129948221.db2.gz XLOVZBXMNDOHMR-UHFFFAOYSA-N 0 3 296.414 3.623 20 10 CHCDHN CN(C)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CC2)cc1 ZINC000770510094 1129948224 /nfs/dbraw/zinc/94/82/24/1129948224.db2.gz XLOVZBXMNDOHMR-UHFFFAOYSA-N 0 3 296.414 3.623 20 10 CHCDHN COc1ccc(O)c([C@H](C)NCc2sccc2Cl)c1 ZINC000801937542 1129961473 /nfs/dbraw/zinc/96/14/73/1129961473.db2.gz PLMIQQFRRACTRF-VIFPVBQESA-N 0 3 297.807 3.967 20 10 CHCDHN CCCc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000771841042 1129990253 /nfs/dbraw/zinc/99/02/53/1129990253.db2.gz RQVAQFBDKWKGAJ-UHFFFAOYSA-N 0 3 255.361 3.635 20 10 CHCDHN C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000802309033 1129991457 /nfs/dbraw/zinc/99/14/57/1129991457.db2.gz MSTRTMKDKNWWCP-XJFOESAGSA-N 0 3 295.398 3.776 20 10 CHCDHN C[C@@H](Nc1ccnc2ccccc21)c1ccc(N(C)C)cc1 ZINC000772294647 1130016201 /nfs/dbraw/zinc/01/62/01/1130016201.db2.gz COXXGWOUHOLLLS-CQSZACIVSA-N 0 3 291.398 3.896 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC=CO1 ZINC000802657751 1130028095 /nfs/dbraw/zinc/02/80/95/1130028095.db2.gz QIBWHBDXOIRUCJ-MRXNPFEDSA-N 0 3 275.392 3.687 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC=CO1 ZINC000802657751 1130028101 /nfs/dbraw/zinc/02/81/01/1130028101.db2.gz QIBWHBDXOIRUCJ-MRXNPFEDSA-N 0 3 275.392 3.687 20 10 CHCDHN CCOc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)c([O-])c1 ZINC000786163220 1130080782 /nfs/dbraw/zinc/08/07/82/1130080782.db2.gz KKXQORHXNRPJAH-UHFFFAOYSA-N 0 3 296.370 3.562 20 10 CHCDHN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001461933522 1130116215 /nfs/dbraw/zinc/11/62/15/1130116215.db2.gz FLXJLURMWDQBRB-LSDHHAIUSA-N 0 3 279.449 3.807 20 10 CHCDHN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001461933522 1130116217 /nfs/dbraw/zinc/11/62/17/1130116217.db2.gz FLXJLURMWDQBRB-LSDHHAIUSA-N 0 3 279.449 3.807 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)c1ccccc1[O-] ZINC000903247356 1130136240 /nfs/dbraw/zinc/13/62/40/1130136240.db2.gz UZGCHJRLFYZVDR-KBPBESRZSA-N 0 3 277.408 3.638 20 10 CHCDHN C[C@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)c1ccccc1[O-] ZINC000903247358 1130136628 /nfs/dbraw/zinc/13/66/28/1130136628.db2.gz UZGCHJRLFYZVDR-UONOGXRCSA-N 0 3 277.408 3.638 20 10 CHCDHN CC(C)c1ccc(O)c(CN2CCOC(C)(C)[C@H]2C)c1 ZINC001461960105 1130139809 /nfs/dbraw/zinc/13/98/09/1130139809.db2.gz OFDUVOAMXURAGW-CYBMUJFWSA-N 0 3 277.408 3.515 20 10 CHCDHN CC1(C)C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCS1 ZINC000903281822 1130145406 /nfs/dbraw/zinc/14/54/06/1130145406.db2.gz INEIOACEPDDKKQ-STQMWFEESA-N 0 3 277.433 3.643 20 10 CHCDHN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC000903341307 1130162883 /nfs/dbraw/zinc/16/28/83/1130162883.db2.gz XLAMYHDHSHAZRZ-KUHUBIRLSA-N 0 3 295.430 3.950 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc(C)cc1[O-] ZINC000903387063 1130169505 /nfs/dbraw/zinc/16/95/05/1130169505.db2.gz FUBJOUGOWMTRLJ-RDJZCZTQSA-N 0 3 289.419 3.843 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cccnc1C)c1ccc(C)cc1[O-] ZINC000903419258 1130174324 /nfs/dbraw/zinc/17/43/24/1130174324.db2.gz UCGYAPHBIYVNDZ-QGZVFWFLSA-N 0 3 284.403 3.687 20 10 CHCDHN C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cc(F)ccc1[O-] ZINC000903428983 1130176080 /nfs/dbraw/zinc/17/60/80/1130176080.db2.gz RIUFIUOFIMFPSP-PIGZYNQJSA-N 0 3 286.350 3.728 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)c([O-])c1 ZINC000788611371 1130195349 /nfs/dbraw/zinc/19/53/49/1130195349.db2.gz NAPGUYPMMZKJDE-JKSUJKDBSA-N 0 3 293.451 3.704 20 10 CHCDHN C[C@@H]1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000789327830 1130244000 /nfs/dbraw/zinc/24/40/00/1130244000.db2.gz XAQJEBUMEVYVEH-PBHICJAKSA-N 0 3 289.419 3.704 20 10 CHCDHN C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000789327830 1130244006 /nfs/dbraw/zinc/24/40/06/1130244006.db2.gz XAQJEBUMEVYVEH-PBHICJAKSA-N 0 3 289.419 3.704 20 10 CHCDHN CC[C@H]([NH2+]CCCC1CCOCC1)c1ccccc1[O-] ZINC000790324641 1130306206 /nfs/dbraw/zinc/30/62/06/1130306206.db2.gz LOTRLNAXMNXKQC-INIZCTEOSA-N 0 3 277.408 3.640 20 10 CHCDHN CC[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOC1 ZINC000791002403 1130342826 /nfs/dbraw/zinc/34/28/26/1130342826.db2.gz HNUXUOBGAHEKEC-IBGZPJMESA-N 0 3 297.398 3.718 20 10 CHCDHN COc1cccc([C@]2(C)CC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC000827283955 1130544917 /nfs/dbraw/zinc/54/49/17/1130544917.db2.gz RLNMMUAAYQFABX-LJQANCHMSA-N 0 3 297.398 3.564 20 10 CHCDHN COc1cccc([C@]2(C)CC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC000827283955 1130544923 /nfs/dbraw/zinc/54/49/23/1130544923.db2.gz RLNMMUAAYQFABX-LJQANCHMSA-N 0 3 297.398 3.564 20 10 CHCDHN CCOc1cccc(C[N@H+](CC2CC2)CC2CCC2)c1[O-] ZINC000793388693 1130551337 /nfs/dbraw/zinc/55/13/37/1130551337.db2.gz IBGYITKGHIJHQR-UHFFFAOYSA-N 0 3 289.419 3.803 20 10 CHCDHN CCOc1cccc(C[N@@H+](CC2CC2)CC2CCC2)c1[O-] ZINC000793388693 1130551341 /nfs/dbraw/zinc/55/13/41/1130551341.db2.gz IBGYITKGHIJHQR-UHFFFAOYSA-N 0 3 289.419 3.803 20 10 CHCDHN COc1ccc(C[NH2+]C[C@@H](C)CCc2ccccc2)c([O-])c1 ZINC000793389035 1130552135 /nfs/dbraw/zinc/55/21/35/1130552135.db2.gz TWESBAIDBPDSDL-HNNXBMFYSA-N 0 3 299.414 3.759 20 10 CHCDHN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000793530164 1130572202 /nfs/dbraw/zinc/57/22/02/1130572202.db2.gz ZEXUNRJJHULZPE-ZWKOTPCHSA-N 0 3 297.398 3.728 20 10 CHCDHN CC[C@H](C)[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658208 1130669604 /nfs/dbraw/zinc/66/96/04/1130669604.db2.gz XOQPXDNRAUHMBL-HOTGVXAUSA-N 0 3 290.451 3.642 20 10 CHCDHN CSc1ccccc1C[N@H+](C)Cc1ccccc1[O-] ZINC000781337035 1130715674 /nfs/dbraw/zinc/71/56/74/1130715674.db2.gz TXCQDEPVHMSPBD-UHFFFAOYSA-N 0 3 273.401 3.746 20 10 CHCDHN CSc1ccccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC000781337035 1130715676 /nfs/dbraw/zinc/71/56/76/1130715676.db2.gz TXCQDEPVHMSPBD-UHFFFAOYSA-N 0 3 273.401 3.746 20 10 CHCDHN C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccccc1[O-] ZINC000782053105 1130753517 /nfs/dbraw/zinc/75/35/17/1130753517.db2.gz OSSRJPQJRWDACH-LSDHHAIUSA-N 0 3 281.399 3.848 20 10 CHCDHN C[N@H+](CCc1ccccn1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676054 1130765619 /nfs/dbraw/zinc/76/56/19/1130765619.db2.gz OWBGURIYZRTOJZ-UHFFFAOYSA-N 0 3 298.430 3.759 20 10 CHCDHN C[N@@H+](CCc1ccccn1)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676054 1130765624 /nfs/dbraw/zinc/76/56/24/1130765624.db2.gz OWBGURIYZRTOJZ-UHFFFAOYSA-N 0 3 298.430 3.759 20 10 CHCDHN CC(C)(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001235674873 1130766738 /nfs/dbraw/zinc/76/67/38/1130766738.db2.gz HKYPVEHVQNOLCD-KBPBESRZSA-N 0 3 273.420 3.922 20 10 CHCDHN COC[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676964 1130766766 /nfs/dbraw/zinc/76/67/66/1130766766.db2.gz YTLGWJHJWRUFCD-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN COC[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235676964 1130766769 /nfs/dbraw/zinc/76/67/69/1130766769.db2.gz YTLGWJHJWRUFCD-MRXNPFEDSA-N 0 3 291.435 3.691 20 10 CHCDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC001235685568 1130768077 /nfs/dbraw/zinc/76/80/77/1130768077.db2.gz QUDXQQSDTVPNNR-MRXNPFEDSA-N 0 3 295.373 3.921 20 10 CHCDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c([O-])c1 ZINC001235685568 1130768083 /nfs/dbraw/zinc/76/80/83/1130768083.db2.gz QUDXQQSDTVPNNR-MRXNPFEDSA-N 0 3 295.373 3.921 20 10 CHCDHN CCCO[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235683500 1130768696 /nfs/dbraw/zinc/76/86/96/1130768696.db2.gz GRKVDLPYXGTMHC-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN CCCO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235683500 1130768703 /nfs/dbraw/zinc/76/87/03/1130768703.db2.gz GRKVDLPYXGTMHC-INIZCTEOSA-N 0 3 291.435 3.691 20 10 CHCDHN CCc1ccccc1C[N@H+](C)Cc1ccccc1[O-] ZINC000782512324 1130782096 /nfs/dbraw/zinc/78/20/96/1130782096.db2.gz FMKGLAANZUFIFP-UHFFFAOYSA-N 0 3 255.361 3.587 20 10 CHCDHN CCc1ccccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC000782512324 1130782102 /nfs/dbraw/zinc/78/21/02/1130782102.db2.gz FMKGLAANZUFIFP-UHFFFAOYSA-N 0 3 255.361 3.587 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccccc1[O-] ZINC000783500443 1130831532 /nfs/dbraw/zinc/83/15/32/1130831532.db2.gz GQXDJWKGXBCCNN-CHWSQXEVSA-N 0 3 273.351 3.986 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000783592153 1130842227 /nfs/dbraw/zinc/84/22/27/1130842227.db2.gz DGEMNQLAZUNGGF-KCPJHIHWSA-N 0 3 263.356 3.542 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000783592153 1130842232 /nfs/dbraw/zinc/84/22/32/1130842232.db2.gz DGEMNQLAZUNGGF-KCPJHIHWSA-N 0 3 263.356 3.542 20 10 CHCDHN Cc1cc(O)c(CN2CC(C)(C)[C@@H]2c2ccncc2)cc1C ZINC000814229993 1130849932 /nfs/dbraw/zinc/84/99/32/1130849932.db2.gz IRYWBAYEDZKMJD-SFHVURJKSA-N 0 3 296.414 3.987 20 10 CHCDHN Cc1ccc(C[NH+]2CCC(c3ccc(N)cc3)CC2)c([O-])c1 ZINC001236334174 1130915152 /nfs/dbraw/zinc/91/51/52/1130915152.db2.gz AAFRDXOQGQTCFY-UHFFFAOYSA-N 0 3 296.414 3.662 20 10 CHCDHN CCN(Cc1ccoc1)Cc1ccc(N(C)C)c(C)c1 ZINC000815034716 1130953687 /nfs/dbraw/zinc/95/36/87/1130953687.db2.gz ZNCIXWDPVGSOBD-UHFFFAOYSA-N 0 3 272.392 3.676 20 10 CHCDHN CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000797027766 1130954194 /nfs/dbraw/zinc/95/41/94/1130954194.db2.gz VHCLCYLZTCMZDE-LIRRHRJNSA-N 0 3 299.414 3.647 20 10 CHCDHN Cc1cc(CN2CCC[C@H]2c2ccccn2)ccc1N(C)C ZINC000815060788 1130955217 /nfs/dbraw/zinc/95/52/17/1130955217.db2.gz SMUVVXFNEHDHLG-IBGZPJMESA-N 0 3 295.430 3.793 20 10 CHCDHN Cc1cc(CNC2(c3cccc(F)c3)CC2)ccc1N(C)C ZINC000815083490 1130957764 /nfs/dbraw/zinc/95/77/64/1130957764.db2.gz PHZMATFGGKWHOM-UHFFFAOYSA-N 0 3 298.405 3.979 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(C)cc1)c1ccccc1[O-] ZINC000797061394 1130957961 /nfs/dbraw/zinc/95/79/61/1130957961.db2.gz PXCASXXCQVZULN-LJHODMEESA-N 0 3 299.414 3.863 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(C)(C)O ZINC000815155914 1130963061 /nfs/dbraw/zinc/96/30/61/1130963061.db2.gz ZDTNWYHSATVGFM-SFHVURJKSA-N 0 3 299.414 3.698 20 10 CHCDHN [O-]c1ccccc1C[NH2+]CCc1cc2ccccc2s1 ZINC000815148718 1130967543 /nfs/dbraw/zinc/96/75/43/1130967543.db2.gz HIAFEKNXXBCQTP-UHFFFAOYSA-N 0 3 283.396 3.939 20 10 CHCDHN COCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815552800 1130998186 /nfs/dbraw/zinc/99/81/86/1130998186.db2.gz KMLPKRIAHDVCLI-GOSISDBHSA-N 0 3 299.414 3.692 20 10 CHCDHN CCOCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815560848 1130999708 /nfs/dbraw/zinc/99/97/08/1130999708.db2.gz RRUVYQJGQLNXGH-SFHVURJKSA-N 0 3 299.414 3.692 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2cccc(C)c2)c([O-])c1 ZINC001236787178 1131005851 /nfs/dbraw/zinc/00/58/51/1131005851.db2.gz AJVARVSNBSMJLE-UHFFFAOYSA-N 0 3 283.415 3.938 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2cccc(C)c2)c([O-])c1 ZINC001236787178 1131005857 /nfs/dbraw/zinc/00/58/57/1131005857.db2.gz AJVARVSNBSMJLE-UHFFFAOYSA-N 0 3 283.415 3.938 20 10 CHCDHN CCc1ccc(C[N@@H+](C)Cc2ccccc2)c([O-])c1 ZINC001236784256 1131007630 /nfs/dbraw/zinc/00/76/30/1131007630.db2.gz SOYJWKWEMPDWSA-UHFFFAOYSA-N 0 3 255.361 3.587 20 10 CHCDHN CCc1ccc(C[N@H+](C)Cc2ccccc2)c([O-])c1 ZINC001236784256 1131007625 /nfs/dbraw/zinc/00/76/25/1131007625.db2.gz SOYJWKWEMPDWSA-UHFFFAOYSA-N 0 3 255.361 3.587 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001236838129 1131017969 /nfs/dbraw/zinc/01/79/69/1131017969.db2.gz VJHNYIAOLWPGKX-GOEBONIOSA-N 0 3 253.345 3.530 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001236838129 1131017975 /nfs/dbraw/zinc/01/79/75/1131017975.db2.gz VJHNYIAOLWPGKX-GOEBONIOSA-N 0 3 253.345 3.530 20 10 CHCDHN C[N@@H+](Cc1cc2ccccc2cc1[O-])Cc1ccccc1O ZINC001236837086 1131018474 /nfs/dbraw/zinc/01/84/74/1131018474.db2.gz MYCSRBHMQMFHJQ-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN C[N@H+](Cc1cc2ccccc2cc1[O-])Cc1ccccc1O ZINC001236837086 1131018480 /nfs/dbraw/zinc/01/84/80/1131018480.db2.gz MYCSRBHMQMFHJQ-UHFFFAOYSA-N 0 3 293.366 3.883 20 10 CHCDHN CCCC[N@H+](C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237134730 1131055559 /nfs/dbraw/zinc/05/55/59/1131055559.db2.gz BEDSAKOLVYRLAB-UHFFFAOYSA-N 0 3 261.287 3.643 20 10 CHCDHN CCCC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1[O-] ZINC001237134730 1131055566 /nfs/dbraw/zinc/05/55/66/1131055566.db2.gz BEDSAKOLVYRLAB-UHFFFAOYSA-N 0 3 261.287 3.643 20 10 CHCDHN CCOc1ccc(C[N@H+](C)Cc2ccc(CC)cc2)c([O-])c1 ZINC001237041937 1131037551 /nfs/dbraw/zinc/03/75/51/1131037551.db2.gz AGDGFUKNRIQZLA-UHFFFAOYSA-N 0 3 299.414 3.985 20 10 CHCDHN CCOc1ccc(C[N@@H+](C)Cc2ccc(CC)cc2)c([O-])c1 ZINC001237041937 1131037558 /nfs/dbraw/zinc/03/75/58/1131037558.db2.gz AGDGFUKNRIQZLA-UHFFFAOYSA-N 0 3 299.414 3.985 20 10 CHCDHN CC(C)c1ccc(CN2CC3(C2)C[C@H](F)CS3)c(O)c1 ZINC001237049431 1131040542 /nfs/dbraw/zinc/04/05/42/1131040542.db2.gz OVNVOIGCQAWDAT-AWEZNQCLSA-N 0 3 295.423 3.545 20 10 CHCDHN COCC[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237054435 1131044208 /nfs/dbraw/zinc/04/42/08/1131044208.db2.gz XYGPOBRAHPQGGU-QGZVFWFLSA-N 0 3 291.435 3.907 20 10 CHCDHN COCC[C@H]1CCCC[N@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237054435 1131044212 /nfs/dbraw/zinc/04/42/12/1131044212.db2.gz XYGPOBRAHPQGGU-QGZVFWFLSA-N 0 3 291.435 3.907 20 10 CHCDHN C[N@@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@H]1CC1(C)C ZINC001237140984 1131057460 /nfs/dbraw/zinc/05/74/60/1131057460.db2.gz QCTZZQSNCOJWNB-GFCCVEGCSA-N 0 3 287.325 3.889 20 10 CHCDHN C[N@H+](Cc1cc(C(F)(F)F)ccc1[O-])C[C@H]1CC1(C)C ZINC001237140984 1131057462 /nfs/dbraw/zinc/05/74/62/1131057462.db2.gz QCTZZQSNCOJWNB-GFCCVEGCSA-N 0 3 287.325 3.889 20 10 CHCDHN Cc1ccccc1O[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237487242 1131104288 /nfs/dbraw/zinc/10/42/88/1131104288.db2.gz HEEBOOKVNRTEAF-INIZCTEOSA-N 0 3 297.398 3.662 20 10 CHCDHN Cc1ccccc1O[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237487242 1131104290 /nfs/dbraw/zinc/10/42/90/1131104290.db2.gz HEEBOOKVNRTEAF-INIZCTEOSA-N 0 3 297.398 3.662 20 10 CHCDHN CCCCN(Cc1conc1CC)Cc1ccccc1O ZINC000816601106 1131114974 /nfs/dbraw/zinc/11/49/74/1131114974.db2.gz RLRBAUMVPLRZCM-UHFFFAOYSA-N 0 3 288.391 3.745 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000816619356 1131115902 /nfs/dbraw/zinc/11/59/02/1131115902.db2.gz CDDGMSZZGDWBBH-INIZCTEOSA-N 0 3 267.372 3.772 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000816619356 1131115907 /nfs/dbraw/zinc/11/59/07/1131115907.db2.gz CDDGMSZZGDWBBH-INIZCTEOSA-N 0 3 267.372 3.772 20 10 CHCDHN CCCN(CCC)c1ccc(CN2CC[C@@H]2COC)cc1 ZINC000816636694 1131117583 /nfs/dbraw/zinc/11/75/83/1131117583.db2.gz FIWNGEHOMYDRRB-GOSISDBHSA-N 0 3 290.451 3.534 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1[O-] ZINC001237679725 1131127326 /nfs/dbraw/zinc/12/73/26/1131127326.db2.gz LGHYBRSJIKRUTR-CHWSQXEVSA-N 0 3 279.811 3.976 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1[O-] ZINC001237679725 1131127327 /nfs/dbraw/zinc/12/73/27/1131127327.db2.gz LGHYBRSJIKRUTR-CHWSQXEVSA-N 0 3 279.811 3.976 20 10 CHCDHN CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)c([O-])c1 ZINC001116487244 1131150286 /nfs/dbraw/zinc/15/02/86/1131150286.db2.gz CSVJEOJYEKXHRS-LBPRGKRZSA-N 0 3 289.375 3.852 20 10 CHCDHN Cc1cccc(CC[N@@H+](C)Cc2cc(F)cc(C)c2[O-])c1 ZINC001238060413 1131166629 /nfs/dbraw/zinc/16/66/29/1131166629.db2.gz AOOKYTWBYFLYQP-UHFFFAOYSA-N 0 3 287.378 3.823 20 10 CHCDHN Cc1cccc(CC[N@H+](C)Cc2cc(F)cc(C)c2[O-])c1 ZINC001238060413 1131166633 /nfs/dbraw/zinc/16/66/33/1131166633.db2.gz AOOKYTWBYFLYQP-UHFFFAOYSA-N 0 3 287.378 3.823 20 10 CHCDHN Cc1cc(F)cc(C[N@H+](C)CC2CCCCC2)c1[O-] ZINC001238066067 1131166720 /nfs/dbraw/zinc/16/67/20/1131166720.db2.gz DVAGHXYAPXFVJZ-UHFFFAOYSA-N 0 3 265.372 3.852 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+](C)CC2CCCCC2)c1[O-] ZINC001238066067 1131166723 /nfs/dbraw/zinc/16/67/23/1131166723.db2.gz DVAGHXYAPXFVJZ-UHFFFAOYSA-N 0 3 265.372 3.852 20 10 CHCDHN CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C)c1[O-] ZINC001238071111 1131168651 /nfs/dbraw/zinc/16/86/51/1131168651.db2.gz RSRCDWSNGHOAQX-CQSZACIVSA-N 0 3 251.345 3.604 20 10 CHCDHN CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C)c1[O-] ZINC001238071111 1131168653 /nfs/dbraw/zinc/16/86/53/1131168653.db2.gz RSRCDWSNGHOAQX-CQSZACIVSA-N 0 3 251.345 3.604 20 10 CHCDHN Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc(C)n1 ZINC000817589527 1131173903 /nfs/dbraw/zinc/17/39/03/1131173903.db2.gz ODGAALNKVRDCLT-HNNXBMFYSA-N 0 3 283.419 3.615 20 10 CHCDHN CC(C)C[C@H](CN)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817957539 1131191634 /nfs/dbraw/zinc/19/16/34/1131191634.db2.gz CRVAWRICIIVTHS-DZGCQCFKSA-N 0 3 286.419 3.569 20 10 CHCDHN Oc1cccc2c1[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)CC2 ZINC000818356849 1131211288 /nfs/dbraw/zinc/21/12/88/1131211288.db2.gz RMNOQENYWYGTRX-UWWQBHOKSA-N 0 3 283.346 3.606 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c([O-])c1 ZINC001118489355 1131228795 /nfs/dbraw/zinc/22/87/95/1131228795.db2.gz JYZUJZPELRTVLL-UNJBNNCHSA-N 0 3 281.346 3.785 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000824483854 1131470836 /nfs/dbraw/zinc/47/08/36/1131470836.db2.gz VTDNRHOTIKTZPH-GFCCVEGCSA-N 0 3 289.375 3.510 20 10 CHCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000824548272 1131475411 /nfs/dbraw/zinc/47/54/11/1131475411.db2.gz DFFGEIBARMMZQQ-HNNXBMFYSA-N 0 3 297.398 3.611 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C23CCC(CC2)CC3)c1[O-] ZINC000824935841 1131489267 /nfs/dbraw/zinc/48/92/67/1131489267.db2.gz MAMHYMWDIPCWPY-UHFFFAOYSA-N 0 3 295.810 3.867 20 10 CHCDHN CN1CCCc2cc(CN3CCc4ccsc4C3)ccc21 ZINC001138358377 1131494282 /nfs/dbraw/zinc/49/42/82/1131494282.db2.gz QBUIFJVVYZYQNQ-UHFFFAOYSA-N 0 3 298.455 3.689 20 10 CHCDHN C[N@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccccc1[O-] ZINC001136985615 1131498261 /nfs/dbraw/zinc/49/82/61/1131498261.db2.gz NVSJYVAMXUAOAK-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN C[N@@H+](Cc1c[nH]c2cccc(F)c12)Cc1ccccc1[O-] ZINC001136985615 1131498264 /nfs/dbraw/zinc/49/82/64/1131498264.db2.gz NVSJYVAMXUAOAK-UHFFFAOYSA-N 0 3 284.334 3.645 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134452 1131500262 /nfs/dbraw/zinc/50/02/62/1131500262.db2.gz ZJWDWWBCOHJXBM-LJQANCHMSA-N 0 3 297.398 3.548 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134452 1131500265 /nfs/dbraw/zinc/50/02/65/1131500265.db2.gz ZJWDWWBCOHJXBM-LJQANCHMSA-N 0 3 297.398 3.548 20 10 CHCDHN COc1c(C)cc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1C ZINC001138428744 1131504209 /nfs/dbraw/zinc/50/42/09/1131504209.db2.gz QXCCXJLJCVIGEP-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN COc1c(C)cc(C[N@H+]2CCc3cccc([O-])c3C2)cc1C ZINC001138428744 1131504214 /nfs/dbraw/zinc/50/42/14/1131504214.db2.gz QXCCXJLJCVIGEP-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cc(C)ccc1OC ZINC001138487436 1131512738 /nfs/dbraw/zinc/51/27/38/1131512738.db2.gz SBHLALYWZGDJLM-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cc(C)ccc1OC ZINC001138487436 1131512741 /nfs/dbraw/zinc/51/27/41/1131512741.db2.gz SBHLALYWZGDJLM-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000844921625 1131608226 /nfs/dbraw/zinc/60/82/26/1131608226.db2.gz QQXSGPPSTGKUPS-NVXWUHKLSA-N 0 3 296.414 3.778 20 10 CHCDHN COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC001140058455 1131660124 /nfs/dbraw/zinc/66/01/24/1131660124.db2.gz AGFSNIGZOLFVMB-LBPRGKRZSA-N 0 3 289.350 3.733 20 10 CHCDHN COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC001140058455 1131660125 /nfs/dbraw/zinc/66/01/25/1131660125.db2.gz AGFSNIGZOLFVMB-LBPRGKRZSA-N 0 3 289.350 3.733 20 10 CHCDHN COc1ccccc1[C@H](C)N(C)Cc1cc(F)ccc1O ZINC001140058455 1131660126 /nfs/dbraw/zinc/66/01/26/1131660126.db2.gz AGFSNIGZOLFVMB-LBPRGKRZSA-N 0 3 289.350 3.733 20 10 CHCDHN CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140055546 1131660430 /nfs/dbraw/zinc/66/04/30/1131660430.db2.gz KKQDALYGWQWAGO-UHFFFAOYSA-N 0 3 273.351 3.944 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001140055546 1131660431 /nfs/dbraw/zinc/66/04/31/1131660431.db2.gz KKQDALYGWQWAGO-UHFFFAOYSA-N 0 3 273.351 3.944 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccccc1[O-] ZINC000845991521 1131675738 /nfs/dbraw/zinc/67/57/38/1131675738.db2.gz BIMSGRNKMYNCRN-HNNXBMFYSA-N 0 3 295.386 3.520 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccccc1[O-] ZINC000846042825 1131683774 /nfs/dbraw/zinc/68/37/74/1131683774.db2.gz QHAVSDLFWPIOIY-SJLPKXTDSA-N 0 3 289.419 3.638 20 10 CHCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000834566410 1131684307 /nfs/dbraw/zinc/68/43/07/1131684307.db2.gz MOVKAHZKJXYPHX-LRDDRELGSA-N 0 3 285.362 3.912 20 10 CHCDHN C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834645505 1131690116 /nfs/dbraw/zinc/69/01/16/1131690116.db2.gz FTRHKNCZKVAFKU-GFJSAUFNSA-N 0 3 279.383 3.903 20 10 CHCDHN CCc1cnccc1[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834698219 1131695618 /nfs/dbraw/zinc/69/56/18/1131695618.db2.gz WSQJRYYIHNFRAK-LRDDRELGSA-N 0 3 282.387 3.688 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)COCC2CC2)c1[O-] ZINC000846205823 1131696094 /nfs/dbraw/zinc/69/60/94/1131696094.db2.gz UHRDEJMCPIAMKY-NEPJUHHUSA-N 0 3 297.826 3.820 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000846187591 1131697658 /nfs/dbraw/zinc/69/76/58/1131697658.db2.gz LDWNUOCXJKMDMT-ACJLOTCBSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)c([O-])c1 ZINC000846185474 1131697765 /nfs/dbraw/zinc/69/77/65/1131697765.db2.gz AERNYZFWRFXFRN-UGSOOPFHSA-N 0 3 289.419 3.556 20 10 CHCDHN Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000846192536 1131699050 /nfs/dbraw/zinc/69/90/50/1131699050.db2.gz YGTFTMALLNYEDX-XOKHGSTOSA-N 0 3 267.372 3.907 20 10 CHCDHN C[C@@H]1CC(CC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000834794120 1131706512 /nfs/dbraw/zinc/70/65/12/1131706512.db2.gz ORLFOERHPUEFIF-XJKCOSOUSA-N 0 3 289.419 3.563 20 10 CHCDHN COC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCCC1 ZINC000834814518 1131707647 /nfs/dbraw/zinc/70/76/47/1131707647.db2.gz LIJDXVRGCWGNBQ-DGCLKSJQSA-N 0 3 293.382 3.628 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)c1[O-] ZINC000834877062 1131715640 /nfs/dbraw/zinc/71/56/40/1131715640.db2.gz SGEQJLZFJAMUST-QWRGUYRKSA-N 0 3 285.815 3.554 20 10 CHCDHN CC[C@H]([NH2+]C[C@](C)(CC)OC)c1ccc(C)cc1[O-] ZINC000834883178 1131717856 /nfs/dbraw/zinc/71/78/56/1131717856.db2.gz ZQWUEEBDEVZVNO-HOCLYGCPSA-N 0 3 265.397 3.556 20 10 CHCDHN CO[C@](C)(C[NH2+][C@@H](C)c1ccc(C)cc1[O-])c1ccccc1 ZINC000834885016 1131718435 /nfs/dbraw/zinc/71/84/35/1131718435.db2.gz RTOFEVAQZBBSCR-HNAYVOBHSA-N 0 3 299.414 3.913 20 10 CHCDHN CC[C@H]([NH2+]Cc1cnccc1C)c1ccc(C)cc1[O-] ZINC000834886106 1131718817 /nfs/dbraw/zinc/71/88/17/1131718817.db2.gz HVVUMYHZLLKZTF-INIZCTEOSA-N 0 3 270.376 3.645 20 10 CHCDHN CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000834906431 1131729344 /nfs/dbraw/zinc/72/93/44/1131729344.db2.gz WTLASZNENKMOIV-GDBMZVCRSA-N 0 3 277.408 3.558 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])CC1(Br)CC1 ZINC000846808852 1131742658 /nfs/dbraw/zinc/74/26/58/1131742658.db2.gz KKJROVZCQBHHEZ-UHFFFAOYSA-N 0 3 298.224 3.532 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])CC1(Br)CC1 ZINC000846808852 1131742661 /nfs/dbraw/zinc/74/26/61/1131742661.db2.gz KKJROVZCQBHHEZ-UHFFFAOYSA-N 0 3 298.224 3.532 20 10 CHCDHN CN(C)c1ccc(CN2CCC3(CCC3)C2)c(Cl)c1 ZINC001140924687 1131965326 /nfs/dbraw/zinc/96/53/26/1131965326.db2.gz MLQJTHOUZVWWHD-UHFFFAOYSA-N 0 3 278.827 3.782 20 10 CHCDHN Cc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC001140948174 1131969986 /nfs/dbraw/zinc/96/99/86/1131969986.db2.gz WOKYUZPDNXAFNG-CQSZACIVSA-N 0 3 267.372 3.820 20 10 CHCDHN Cc1ccc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c([O-])c1 ZINC001140948174 1131969991 /nfs/dbraw/zinc/96/99/91/1131969991.db2.gz WOKYUZPDNXAFNG-CQSZACIVSA-N 0 3 267.372 3.820 20 10 CHCDHN COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1[O-])CCC2 ZINC001140954198 1131970989 /nfs/dbraw/zinc/97/09/89/1131970989.db2.gz MNJVVWMIEHRDSW-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN COc1ccc2c(c1)C[N@H+](Cc1ccc(C)cc1[O-])CCC2 ZINC001140954198 1131970996 /nfs/dbraw/zinc/97/09/96/1131970996.db2.gz MNJVVWMIEHRDSW-UHFFFAOYSA-N 0 3 297.398 3.658 20 10 CHCDHN C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccccc1[O-] ZINC000036936257 1131984803 /nfs/dbraw/zinc/98/48/03/1131984803.db2.gz FWSKCSPFIJBNQP-GFCCVEGCSA-N 0 3 275.779 3.766 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCS2)c([O-])c1 ZINC000715698579 1131990017 /nfs/dbraw/zinc/99/00/17/1131990017.db2.gz SIZAHPNTWVGVAP-CHWSQXEVSA-N 0 3 265.422 3.637 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCS2)c([O-])c1 ZINC000715698580 1131990404 /nfs/dbraw/zinc/99/04/04/1131990404.db2.gz SIZAHPNTWVGVAP-OLZOCXBDSA-N 0 3 265.422 3.637 20 10 CHCDHN Cc1cccc2c1CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C2 ZINC001171552991 1132053002 /nfs/dbraw/zinc/05/30/02/1132053002.db2.gz JRGUDOADQHCPOP-HOCLYGCPSA-N 0 3 281.399 3.909 20 10 CHCDHN Cc1cccc2c1CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C2 ZINC001171552989 1132053430 /nfs/dbraw/zinc/05/34/30/1132053430.db2.gz JRGUDOADQHCPOP-GDBMZVCRSA-N 0 3 281.399 3.909 20 10 CHCDHN Cc1cc(O)c(CN2CC(C)(CC(F)(F)F)C2)cc1C ZINC000839145620 1132184854 /nfs/dbraw/zinc/18/48/54/1132184854.db2.gz QVFGTIJNRGGGSJ-UHFFFAOYSA-N 0 3 287.325 3.783 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@](C)(OC)C1CC1)c1ccc(C)cc1[O-] ZINC000840858841 1132296180 /nfs/dbraw/zinc/29/61/80/1132296180.db2.gz GZHIPPALFDWLBD-SKDZVZGDSA-N 0 3 291.435 3.945 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)OCC2CC2)c([O-])c1 ZINC000840876407 1132299597 /nfs/dbraw/zinc/29/95/97/1132299597.db2.gz MIYBBPHXABEKJZ-CYBMUJFWSA-N 0 3 277.408 3.556 20 10 CHCDHN COC1([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000840882722 1132301725 /nfs/dbraw/zinc/30/17/25/1132301725.db2.gz ACNGYGJQJAAFHN-NTZNESFSSA-N 0 3 293.382 3.627 20 10 CHCDHN C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(F)ccc1[O-] ZINC000840890640 1132304900 /nfs/dbraw/zinc/30/49/00/1132304900.db2.gz CCRPLPUSWRSIJO-GFCCVEGCSA-N 0 3 288.366 3.555 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)c1ccco1 ZINC000840910476 1132307896 /nfs/dbraw/zinc/30/78/96/1132307896.db2.gz NNVKXJULWWUDIL-AWEZNQCLSA-N 0 3 272.392 3.847 20 10 CHCDHN COCC1CCC([NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000840962505 1132313472 /nfs/dbraw/zinc/31/34/72/1132313472.db2.gz KWLQSZZWCPGJGU-UHFFFAOYSA-N 0 3 297.826 3.649 20 10 CHCDHN C[C@]1(F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1F ZINC001231587629 1132319292 /nfs/dbraw/zinc/31/92/92/1132319292.db2.gz WSISTPCOUCEPBE-SJORKVTESA-N 0 3 291.341 3.817 20 10 CHCDHN C[C@]1(F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1F ZINC001231587629 1132319299 /nfs/dbraw/zinc/31/92/99/1132319299.db2.gz WSISTPCOUCEPBE-SJORKVTESA-N 0 3 291.341 3.817 20 10 CHCDHN Cc1cc(C)c(CN2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC001231846862 1132378300 /nfs/dbraw/zinc/37/83/00/1132378300.db2.gz RHJITDDVCYEMOU-LJQANCHMSA-N 0 3 297.398 3.583 20 10 CHCDHN CCCOC1CCC([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001173094375 1132385924 /nfs/dbraw/zinc/38/59/24/1132385924.db2.gz JIJUXJRLXSLXLJ-UHFFFAOYSA-N 0 3 291.435 3.836 20 10 CHCDHN CC(C)(C)c1cccc(CN2CCC[C@@H]2CF)c1O ZINC001143116488 1132503888 /nfs/dbraw/zinc/50/38/88/1132503888.db2.gz DUQXBYAHUIKOJR-CYBMUJFWSA-N 0 3 265.372 3.624 20 10 CHCDHN CCc1ccc(CN(CC)Cc2ccc(N(C)C)cc2)o1 ZINC001204394828 1133228113 /nfs/dbraw/zinc/22/81/13/1133228113.db2.gz TXIRWHHLYIHAAI-UHFFFAOYSA-N 0 3 286.419 3.930 20 10 CHCDHN COc1cc(C)c(C[N@@H+]2CCc3cccc([O-])c3C2)cc1C ZINC001203759136 1133366893 /nfs/dbraw/zinc/36/68/93/1133366893.db2.gz XUWNNEYQTPJKER-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN COc1cc(C)c(C[N@H+]2CCc3cccc([O-])c3C2)cc1C ZINC001203759136 1133366897 /nfs/dbraw/zinc/36/68/97/1133366897.db2.gz XUWNNEYQTPJKER-UHFFFAOYSA-N 0 3 297.398 3.576 20 10 CHCDHN Cc1ccc2c(c1)CCN(Cc1ccc(N(C)C)cc1)C2 ZINC001203937101 1133386806 /nfs/dbraw/zinc/38/68/06/1133386806.db2.gz KQEKMOAOTQMTSC-UHFFFAOYSA-N 0 3 280.415 3.619 20 10 CHCDHN CCC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204275295 1133427488 /nfs/dbraw/zinc/42/74/88/1133427488.db2.gz NXPWSOVLCNNPGI-UHFFFAOYSA-N 0 3 271.360 3.510 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1[O-] ZINC001204275295 1133427491 /nfs/dbraw/zinc/42/74/91/1133427491.db2.gz NXPWSOVLCNNPGI-UHFFFAOYSA-N 0 3 271.360 3.510 20 10 CHCDHN CCc1cccc(CN2CCOc3ccccc3[C@@H]2C)c1O ZINC001204721430 1133478782 /nfs/dbraw/zinc/47/87/82/1133478782.db2.gz MBKYQZJVUFOBFI-AWEZNQCLSA-N 0 3 297.398 3.910 20 10 CHCDHN Cc1ccc(C[NH2+]C/C=C\c2ccccc2)c([O-])c1 ZINC001204983949 1133512795 /nfs/dbraw/zinc/51/27/95/1133512795.db2.gz DVPHVCWTEBYGEM-YVMONPNESA-N 0 3 253.345 3.504 20 10 CHCDHN CC[N@H+](CCc1cccc(C)c1)Cc1ccccc1[O-] ZINC001207537268 1133818454 /nfs/dbraw/zinc/81/84/54/1133818454.db2.gz ZPMATOUYPNXKBZ-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN CC[N@@H+](CCc1cccc(C)c1)Cc1ccccc1[O-] ZINC001207537268 1133818462 /nfs/dbraw/zinc/81/84/62/1133818462.db2.gz ZPMATOUYPNXKBZ-UHFFFAOYSA-N 0 3 269.388 3.765 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](C)OCc1ccccc1 ZINC001208703148 1133930248 /nfs/dbraw/zinc/93/02/48/1133930248.db2.gz WERCTZPFBOKQOL-INIZCTEOSA-N 0 3 299.414 3.819 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](C)OCc1ccccc1 ZINC001208703148 1133930254 /nfs/dbraw/zinc/93/02/54/1133930254.db2.gz WERCTZPFBOKQOL-INIZCTEOSA-N 0 3 299.414 3.819 20 10 CHCDHN Cc1ccc2[nH]cc(C[N@@H+]3CCc4cccc([O-])c4C3)c2c1 ZINC001209493478 1134030757 /nfs/dbraw/zinc/03/07/57/1134030757.db2.gz HRUOEYUGYMEGEA-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN Cc1ccc2[nH]cc(C[N@H+]3CCc4cccc([O-])c4C3)c2c1 ZINC001209493478 1134030763 /nfs/dbraw/zinc/03/07/63/1134030763.db2.gz HRUOEYUGYMEGEA-UHFFFAOYSA-N 0 3 292.382 3.740 20 10 CHCDHN c1cc(Nc2ccc3c(c2)OCCN3)cc(C2CC2)n1 ZINC001209723059 1134055113 /nfs/dbraw/zinc/05/51/13/1134055113.db2.gz URGDVSMGAYIYDA-UHFFFAOYSA-N 0 3 267.332 3.507 20 10 CHCDHN CN(c1ccc(N)cc1)c1ccnc(C(C)(C)C)c1 ZINC001213168639 1134434277 /nfs/dbraw/zinc/43/42/77/1134434277.db2.gz NRLCIHPJTLIZFG-UHFFFAOYSA-N 0 3 255.365 3.729 20 10 CHCDHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)[C@@H](C)CO1 ZINC000403825813 1134877795 /nfs/dbraw/zinc/87/77/95/1134877795.db2.gz MLRPVNSDAAPNMU-DZGCQCFKSA-N 0 3 285.387 3.545 20 10 CHCDHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)[C@@H](C)CO1 ZINC000403825813 1134877799 /nfs/dbraw/zinc/87/77/99/1134877799.db2.gz MLRPVNSDAAPNMU-DZGCQCFKSA-N 0 3 285.387 3.545 20 10 CHCDHN COc1cc(C)ccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000315908461 1135162429 /nfs/dbraw/zinc/16/24/29/1135162429.db2.gz RREHMLFDADDINZ-OAHLLOKOSA-N 0 3 298.430 3.920 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1[O-] ZINC000020122553 171002996 /nfs/dbraw/zinc/00/29/96/171002996.db2.gz HHEZQRQMYNGXGE-GFCCVEGCSA-N 0 3 275.779 3.939 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccccc1[O-] ZINC000020131626 171020265 /nfs/dbraw/zinc/02/02/65/171020265.db2.gz DGPQFDXCPQVYCY-NSHDSACASA-N 0 3 293.313 3.844 20 10 CHCDHN CN(C)c1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000020203834 171068408 /nfs/dbraw/zinc/06/84/08/171068408.db2.gz RKJNMSPELJCSSY-INIZCTEOSA-N 0 3 270.376 3.513 20 10 CHCDHN COc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000078638558 260168310 /nfs/dbraw/zinc/16/83/10/260168310.db2.gz NLRNWEPITSOWEI-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN CC[C@@H]([NH2+]CCCOC1CCCC1)c1ccccc1[O-] ZINC000155492012 261102424 /nfs/dbraw/zinc/10/24/24/261102424.db2.gz XNEKHMOSQWQZTL-MRXNPFEDSA-N 0 3 277.408 3.782 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1ccccc1[O-] ZINC000155925567 261110122 /nfs/dbraw/zinc/11/01/22/261110122.db2.gz JXTCIJJXXFZRPV-BDJLRTHQSA-N 0 3 288.391 3.669 20 10 CHCDHN CCOCCC1(C[NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000156860817 261134175 /nfs/dbraw/zinc/13/41/75/261134175.db2.gz HUEHWDYXOZMNRD-OAHLLOKOSA-N 0 3 277.408 3.640 20 10 CHCDHN CC[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccccc1[O-] ZINC000158115053 261158755 /nfs/dbraw/zinc/15/87/55/261158755.db2.gz AWYNCXORBDEHBF-GOEBONIOSA-N 0 3 277.408 3.782 20 10 CHCDHN CCC[C@H](NCc1ccc(N(C)C)cc1)c1cccnc1 ZINC000184894661 262032378 /nfs/dbraw/zinc/03/23/78/262032378.db2.gz PGGYPGRCGOSHTE-SFHVURJKSA-N 0 3 283.419 3.779 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C)cc2C)c1 ZINC000185066709 262039184 /nfs/dbraw/zinc/03/91/84/262039184.db2.gz VXPOWOUCHXSBRM-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185103613 262040930 /nfs/dbraw/zinc/04/09/30/262040930.db2.gz PAHOPAYQEOSXKO-AWEZNQCLSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000185532105 262058473 /nfs/dbraw/zinc/05/84/73/262058473.db2.gz KIUFWTGEGCQBMI-YJBOKZPZSA-N 0 3 299.414 3.865 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)c([O-])c1 ZINC000185525966 262059060 /nfs/dbraw/zinc/05/90/60/262059060.db2.gz OBQWECCVXJAJCL-WBVHZDCISA-N 0 3 299.414 3.517 20 10 CHCDHN COC[C@H](N[C@@H](C)c1cc(C)ccc1O)c1ccccc1 ZINC000186034361 262076250 /nfs/dbraw/zinc/07/62/50/262076250.db2.gz SMMQCZZMVQXTAN-YOEHRIQHSA-N 0 3 285.387 3.739 20 10 CHCDHN CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccccc1[O-] ZINC000186100822 262080234 /nfs/dbraw/zinc/08/02/34/262080234.db2.gz OOUXEBMOQBYVMV-QGZVFWFLSA-N 0 3 290.451 3.553 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000186129741 262080711 /nfs/dbraw/zinc/08/07/11/262080711.db2.gz YJIVNXFTHZRFDI-CABCVRRESA-N 0 3 289.419 3.843 20 10 CHCDHN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186158007 262082650 /nfs/dbraw/zinc/08/26/50/262082650.db2.gz PESAFQVXBDRGKM-VXGBXAGGSA-N 0 3 288.391 3.760 20 10 CHCDHN C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccccc1[O-] ZINC000186319881 262088539 /nfs/dbraw/zinc/08/85/39/262088539.db2.gz AKYNZHLOOOEVAO-DOXZYTNZSA-N 0 3 298.430 3.734 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC000186319922 262088961 /nfs/dbraw/zinc/08/89/61/262088961.db2.gz AKYNZHLOOOEVAO-KHYOSLBOSA-N 0 3 298.430 3.734 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)c([O-])c1 ZINC000186743639 262322943 /nfs/dbraw/zinc/32/29/43/262322943.db2.gz ASYWDNLUZGAPPW-VXGBXAGGSA-N 0 3 276.405 3.611 20 10 CHCDHN C[C@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1[O-] ZINC000272837247 263009277 /nfs/dbraw/zinc/00/92/77/263009277.db2.gz IWDQFDOWJSKGJD-NSHDSACASA-N 0 3 277.314 3.564 20 10 CHCDHN [O-]c1ccccc1C[N@H+](CCCCCF)C[C@@H]1CCCO1 ZINC000284050825 263085592 /nfs/dbraw/zinc/08/55/92/263085592.db2.gz JPNZILVBUKICCR-INIZCTEOSA-N 0 3 295.398 3.513 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](CCCCCF)C[C@@H]1CCCO1 ZINC000284050825 263085593 /nfs/dbraw/zinc/08/55/93/263085593.db2.gz JPNZILVBUKICCR-INIZCTEOSA-N 0 3 295.398 3.513 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000185351815 327838238 /nfs/dbraw/zinc/83/82/38/327838238.db2.gz PHGRNITXQXJBFA-KGLIPLIRSA-N 0 3 285.387 3.688 20 10 CHCDHN COCCC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CCC1 ZINC000185752575 327844273 /nfs/dbraw/zinc/84/42/73/327844273.db2.gz PXASRQCCVLOCMX-CQSZACIVSA-N 0 3 277.408 3.558 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]Cc2sccc2C)c1[O-] ZINC000228672604 329058907 /nfs/dbraw/zinc/05/89/07/329058907.db2.gz YXEOIZJMNMAPRV-UHFFFAOYSA-N 0 3 297.807 3.714 20 10 CHCDHN Cc1cc(C)c([C@H](C)NCc2ccc(Cl)cn2)c(O)c1 ZINC000285258831 328247576 /nfs/dbraw/zinc/24/75/76/328247576.db2.gz QGGUBHRFITZPRH-LBPRGKRZSA-N 0 3 290.794 3.908 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000377403528 329014389 /nfs/dbraw/zinc/01/43/89/329014389.db2.gz XBIFOOXTUOLQGX-IEBWSBKVSA-N 0 3 297.398 3.711 20 10 CHCDHN C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccccc1[O-] ZINC000377796156 329029863 /nfs/dbraw/zinc/02/98/63/329029863.db2.gz LQAOJSDYFQZANJ-OGWOLHLISA-N 0 3 297.398 3.963 20 10 CHCDHN COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccccc1[O-] ZINC000378630014 329057124 /nfs/dbraw/zinc/05/71/24/329057124.db2.gz GDCKPYDHAMOMDM-DOMZBBRYSA-N 0 3 299.370 3.575 20 10 CHCDHN Cc1cccc(CN[C@@H]2CCOc3c(C)cccc32)c1O ZINC000188011899 329363512 /nfs/dbraw/zinc/36/35/12/329363512.db2.gz PSHGJMPWUARCTI-MRXNPFEDSA-N 0 3 283.371 3.622 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527858088 330289026 /nfs/dbraw/zinc/28/90/26/330289026.db2.gz ORACIJHKYPBFBL-OAHLLOKOSA-N 0 3 291.753 3.962 20 10 CHCDHN CC[C@H](c1ccc(C)cc1[O-])[NH+]1CCC(CCOC)CC1 ZINC000527937298 330293667 /nfs/dbraw/zinc/29/36/67/330293667.db2.gz SDILSGYPSOVFIZ-QGZVFWFLSA-N 0 3 291.435 3.900 20 10 CHCDHN CC(C)(CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000266318632 519221464 /nfs/dbraw/zinc/22/14/64/519221464.db2.gz RIWJPFNTUWOZKX-UHFFFAOYSA-N 0 3 299.414 3.557 20 10 CHCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000289694706 521142365 /nfs/dbraw/zinc/14/23/65/521142365.db2.gz FTOKPHXVXONZEV-QGZVFWFLSA-N 0 3 298.386 3.523 20 10 CHCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2ccncc2)c1 ZINC000289694704 521144917 /nfs/dbraw/zinc/14/49/17/521144917.db2.gz FTOKPHXVXONZEV-KRWDZBQOSA-N 0 3 298.386 3.523 20 10 CHCDHN CCOc1cccc(C[NH2+]Cc2ccccc2CC)c1[O-] ZINC000084200752 521367930 /nfs/dbraw/zinc/36/79/30/521367930.db2.gz WZAIVCRPFIEGFS-UHFFFAOYSA-N 0 3 285.387 3.643 20 10 CHCDHN CN(C)c1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000061325282 522212510 /nfs/dbraw/zinc/21/25/10/522212510.db2.gz WKBSFMUCRIYNQR-MRXNPFEDSA-N 0 3 286.444 3.981 20 10 CHCDHN CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1[O-] ZINC000037786258 522559840 /nfs/dbraw/zinc/55/98/40/522559840.db2.gz YFCJBFVHCCLLKQ-INIZCTEOSA-N 0 3 290.451 3.696 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccc(C)cc1[O-] ZINC000280138260 522644726 /nfs/dbraw/zinc/64/47/26/522644726.db2.gz PNEXOTLMVOHJOR-INIZCTEOSA-N 0 3 270.376 3.645 20 10 CHCDHN CC[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(C)cc1[O-] ZINC000280092284 522656967 /nfs/dbraw/zinc/65/69/67/522656967.db2.gz MOGJZXKEMYQZOT-INIZCTEOSA-N 0 3 271.360 3.647 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280276147 522695363 /nfs/dbraw/zinc/69/53/63/522695363.db2.gz YFHPSYOGWGQRQU-JLJPHGGASA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H](N[C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268977263 522704568 /nfs/dbraw/zinc/70/45/68/522704568.db2.gz BHVFMBYLWQAFMS-OALUTQOASA-N 0 3 298.430 3.527 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(C)cc1[O-] ZINC000280270950 522741250 /nfs/dbraw/zinc/74/12/50/522741250.db2.gz XWYAPMVQVFOAPL-WBMJQRKESA-N 0 3 287.407 3.544 20 10 CHCDHN CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(C)cc1[O-] ZINC000280297689 522809372 /nfs/dbraw/zinc/80/93/72/522809372.db2.gz ZPISAYRVNIESCR-QGZVFWFLSA-N 0 3 290.451 3.614 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CCOC)CCC1)c1ccc(C)cc1[O-] ZINC000280186823 522820982 /nfs/dbraw/zinc/82/09/82/522820982.db2.gz RYKOQAHCZORFAE-MRXNPFEDSA-N 0 3 291.435 3.948 20 10 CHCDHN CC[C@@H]([NH2+]CCCCOC(C)C)c1ccccc1[O-] ZINC000157957723 522827427 /nfs/dbraw/zinc/82/74/27/522827427.db2.gz DBKNCZAIXKNLFL-OAHLLOKOSA-N 0 3 265.397 3.638 20 10 CHCDHN CC[C@@H](NCc1cn2ccccc2n1)c1ccc(C)cc1O ZINC000279971905 522890448 /nfs/dbraw/zinc/89/04/48/522890448.db2.gz CZBVYXVVGXAZRY-MRXNPFEDSA-N 0 3 295.386 3.589 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1ccc(C)cc1[O-] ZINC000280161355 522906262 /nfs/dbraw/zinc/90/62/62/522906262.db2.gz QSJNJYGQZHNYGP-ZBFHGGJFSA-N 0 3 279.424 3.537 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(C)cc1[O-] ZINC000280270944 522913743 /nfs/dbraw/zinc/91/37/43/522913743.db2.gz XWYAPMVQVFOAPL-BLLLJJGKSA-N 0 3 287.407 3.544 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(C)cc1[O-] ZINC000280282074 522932192 /nfs/dbraw/zinc/93/21/92/522932192.db2.gz YOJYHPGKPFGZJH-CZUORRHYSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(C)cc1[O-] ZINC000280119785 522937560 /nfs/dbraw/zinc/93/75/60/522937560.db2.gz OGQHVEPLVUHBEE-UKRRQHHQSA-N 0 3 270.376 3.898 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCc2nccs2)c([O-])c1 ZINC000294650282 524333259 /nfs/dbraw/zinc/33/32/59/524333259.db2.gz GRTSVGFWLQANFO-ZDUSSCGKSA-N 0 3 290.432 3.749 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000094826286 525526716 /nfs/dbraw/zinc/52/67/16/525526716.db2.gz VNMJSNGUPPZAMI-GFCCVEGCSA-N 0 3 290.357 3.882 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCc2ncccc2C)c([O-])c1C ZINC000296514410 525729553 /nfs/dbraw/zinc/72/95/53/525729553.db2.gz PPZIRCARODJRRA-OAHLLOKOSA-N 0 3 284.403 3.606 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)c([O-])c1C ZINC000290176766 525935623 /nfs/dbraw/zinc/93/56/23/525935623.db2.gz FCTKBWJZTWBLCW-DOXZYTNZSA-N 0 3 299.414 3.782 20 10 CHCDHN C[C@H](c1ccccc1F)N(C)Cc1ccccc1O ZINC000111235037 1125481111 /nfs/dbraw/zinc/48/11/11/1125481111.db2.gz FJQLSAFJVPGHCR-GFCCVEGCSA-N 0 3 259.324 3.724 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC2CCC(F)CC2)c([O-])c1 ZINC000842928298 1118170103 /nfs/dbraw/zinc/17/01/03/1118170103.db2.gz JBDYRZAJMPYNOG-HSBZDZAISA-N 0 3 265.372 3.880 20 10 CHCDHN CC[C@@H](C[NH2+]Cc1c(C)cccc1[O-])CC(F)(F)F ZINC000877589501 1125050982 /nfs/dbraw/zinc/05/09/82/1125050982.db2.gz PGRIYRPGLJUNDC-LLVKDONJSA-N 0 3 275.314 3.769 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]CCC2CC(F)(F)C2)c([O-])c1 ZINC000834910321 1131730366 /nfs/dbraw/zinc/73/03/66/1131730366.db2.gz WJSUWDHQGYSIBR-LLVKDONJSA-N 0 3 269.335 3.787 20 10 CHCDHN C[C@H]([NH2+]CCC1CC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000834908974 1131730880 /nfs/dbraw/zinc/73/08/80/1131730880.db2.gz NVUDOIHXNDFIFA-VIFPVBQESA-N 0 3 273.298 3.617 20 10 CHCDHN CN(C)c1ccc(CN2CC[C@@](C)(CF)C2)c(Cl)c1 ZINC001140922549 1131963007 /nfs/dbraw/zinc/96/30/07/1131963007.db2.gz UJIAKWBYNDTIRJ-HNNXBMFYSA-N 0 3 284.806 3.588 20 10 CHCDHN COc1c(Cl)cccc1CNCc1cc(C)ccc1O ZINC000897483879 1125538867 /nfs/dbraw/zinc/53/88/67/1125538867.db2.gz XDIOKULFAURCPI-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCCCC2 ZINC000135805542 1125600312 /nfs/dbraw/zinc/60/03/12/1125600312.db2.gz MJSANSGXYCEOTD-IAGOWNOFSA-N 0 3 289.419 3.610 20 10 CHCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCCCC2 ZINC000135805576 1125601050 /nfs/dbraw/zinc/60/10/50/1125601050.db2.gz MJSANSGXYCEOTD-SJORKVTESA-N 0 3 289.419 3.610 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000903334462 1126801461 /nfs/dbraw/zinc/80/14/61/1126801461.db2.gz AEWHNEGFDZSWAR-KPZWWZAWSA-N 0 3 298.386 3.598 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccsc1 ZINC000178188130 1126810031 /nfs/dbraw/zinc/81/00/31/1126810031.db2.gz GRAJQDNTKZTBMP-NSHDSACASA-N 0 3 278.396 3.804 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000179553503 1126829324 /nfs/dbraw/zinc/82/93/24/1126829324.db2.gz ZDPAQWOQQCQYLZ-CYBMUJFWSA-N 0 3 259.374 3.791 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000179553503 1126829327 /nfs/dbraw/zinc/82/93/27/1126829327.db2.gz ZDPAQWOQQCQYLZ-CYBMUJFWSA-N 0 3 259.374 3.791 20 10 CHCDHN COc1ccc([C@H](C)[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000179555690 1126829807 /nfs/dbraw/zinc/82/98/07/1126829807.db2.gz JLJUHTMMBGRRIW-ZDUSSCGKSA-N 0 3 271.360 3.594 20 10 CHCDHN COc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000179555690 1126829809 /nfs/dbraw/zinc/82/98/09/1126829809.db2.gz JLJUHTMMBGRRIW-ZDUSSCGKSA-N 0 3 271.360 3.594 20 10 CHCDHN C[C@@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183587996 1126889640 /nfs/dbraw/zinc/88/96/40/1126889640.db2.gz AVXPUUSSKMEEBU-SLEUVZQESA-N 0 3 291.416 3.617 20 10 CHCDHN C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccccc1[O-] ZINC000183599258 1126889957 /nfs/dbraw/zinc/88/99/57/1126889957.db2.gz LBRLDGFOJGJWAR-ABAIWWIYSA-N 0 3 287.334 3.706 20 10 CHCDHN C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccccc1O ZINC000183599258 1126889965 /nfs/dbraw/zinc/88/99/65/1126889965.db2.gz LBRLDGFOJGJWAR-ABAIWWIYSA-N 0 3 287.334 3.706 20 10 CHCDHN CCO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])c1ccccc1 ZINC000193434404 1126969113 /nfs/dbraw/zinc/96/91/13/1126969113.db2.gz NEJCPWXKBJRSHE-KDOFPFPSSA-N 0 3 285.387 3.821 20 10 CHCDHN C[C@@H](NCc1ccccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000271555443 1127092366 /nfs/dbraw/zinc/09/23/66/1127092366.db2.gz WPURALJRQRZSDY-OAHLLOKOSA-N 0 3 297.446 3.669 20 10 CHCDHN C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C(C)(C)C ZINC001237054882 1131042617 /nfs/dbraw/zinc/04/26/17/1131042617.db2.gz HMVOALNLGDUFQQ-UHFFFAOYSA-N 0 3 291.313 3.564 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1[O-] ZINC000163860846 1127145370 /nfs/dbraw/zinc/14/53/70/1127145370.db2.gz DHPONHLPQVYZJZ-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1[O-] ZINC000163860846 1127145374 /nfs/dbraw/zinc/14/53/74/1127145374.db2.gz DHPONHLPQVYZJZ-AWEZNQCLSA-N 0 3 277.408 3.659 20 10 CHCDHN Cc1cc([O-])c(C[NH+]2CCCCCC2)cc1Br ZINC001237676309 1131126295 /nfs/dbraw/zinc/12/62/95/1131126295.db2.gz IBVHXMOMDUHHBO-UHFFFAOYSA-N 0 3 298.224 3.839 20 10 CHCDHN C[N@H+](CCCCC(F)(F)F)Cc1ccccc1[O-] ZINC000157252322 1127293568 /nfs/dbraw/zinc/29/35/68/1127293568.db2.gz VKHKWDSTTJFWRY-UHFFFAOYSA-N 0 3 261.287 3.557 20 10 CHCDHN C[N@@H+](CCCCC(F)(F)F)Cc1ccccc1[O-] ZINC000157252322 1127293570 /nfs/dbraw/zinc/29/35/70/1127293570.db2.gz VKHKWDSTTJFWRY-UHFFFAOYSA-N 0 3 261.287 3.557 20 10 CHCDHN CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccccc1[O-] ZINC000760903763 1127325575 /nfs/dbraw/zinc/32/55/75/1127325575.db2.gz YRGTXWGIIAEOBV-NXEZZACHSA-N 0 3 261.287 3.774 20 10 CHCDHN CCCC[C@@H](CCC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000226269752 1127389308 /nfs/dbraw/zinc/38/93/08/1127389308.db2.gz NKUOUCYPBOAJTH-CYBMUJFWSA-N 0 3 279.380 3.569 20 10 CHCDHN CCC1(CC)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565084 1127410947 /nfs/dbraw/zinc/41/09/47/1127410947.db2.gz UDZBMLQIDGRIAI-UHFFFAOYSA-N 0 3 251.345 3.543 20 10 CHCDHN CCC1(CC)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565084 1127410948 /nfs/dbraw/zinc/41/09/48/1127410948.db2.gz UDZBMLQIDGRIAI-UHFFFAOYSA-N 0 3 251.345 3.543 20 10 CHCDHN C[C@@H](CC[NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000226589515 1127412202 /nfs/dbraw/zinc/41/22/02/1127412202.db2.gz CDLXQCDKXMUMAR-ZDUSSCGKSA-N 0 3 273.351 3.815 20 10 CHCDHN CCCCOCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168733370 1127464336 /nfs/dbraw/zinc/46/43/36/1127464336.db2.gz DSCJKVDMJGSRAQ-CQSZACIVSA-N 0 3 265.397 3.558 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000228670576 1127583004 /nfs/dbraw/zinc/58/30/04/1127583004.db2.gz LOAQSJXTHRIJCL-GXFFZTMASA-N 0 3 283.799 3.723 20 10 CHCDHN C[C@@H](CCO)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000295200571 1127627051 /nfs/dbraw/zinc/62/70/51/1127627051.db2.gz YQIIWMLDRZIMDW-OAHLLOKOSA-N 0 3 299.414 3.557 20 10 CHCDHN CCOCc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295814291 1127653551 /nfs/dbraw/zinc/65/35/51/1127653551.db2.gz CWQZTHJKNISWRV-QGZVFWFLSA-N 0 3 297.398 3.706 20 10 CHCDHN CCOc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296039875 1127661207 /nfs/dbraw/zinc/66/12/07/1127661207.db2.gz QOQUPIQMOIZPRW-INIZCTEOSA-N 0 3 283.371 3.568 20 10 CHCDHN CCOCCC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000296906770 1127686005 /nfs/dbraw/zinc/68/60/05/1127686005.db2.gz PELHRYLLFQQSHC-HNNXBMFYSA-N 0 3 289.419 3.566 20 10 CHCDHN C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1[N+](=O)[O-] ZINC000296920019 1127686063 /nfs/dbraw/zinc/68/60/63/1127686063.db2.gz PPSSNAVVXYVWCS-RISCZKNCSA-N 0 3 298.342 3.639 20 10 CHCDHN C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cc(F)ccc1[O-] ZINC000297397455 1127695597 /nfs/dbraw/zinc/69/55/97/1127695597.db2.gz SGIOGEVEGWKLAQ-LBPRGKRZSA-N 0 3 288.366 3.555 20 10 CHCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC000297619723 1127701714 /nfs/dbraw/zinc/70/17/14/1127701714.db2.gz IWTMLCBPFSNJGZ-HOTGVXAUSA-N 0 3 283.346 3.796 20 10 CHCDHN CC(C)[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000062183912 1127737157 /nfs/dbraw/zinc/73/71/57/1127737157.db2.gz HUEWTSUGSRKUKL-UHFFFAOYSA-N 0 3 255.361 3.803 20 10 CHCDHN CC(C)[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000062183912 1127737160 /nfs/dbraw/zinc/73/71/60/1127737160.db2.gz HUEWTSUGSRKUKL-UHFFFAOYSA-N 0 3 255.361 3.803 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H]2C)c1[O-] ZINC000230659106 1127771966 /nfs/dbraw/zinc/77/19/66/1127771966.db2.gz KPIBWMDBRLKETC-MNOVXSKESA-N 0 3 283.799 3.580 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccccc1[O-] ZINC000373446217 1127844164 /nfs/dbraw/zinc/84/41/64/1127844164.db2.gz BXEWNOJMKNOTMD-QZTJIDSGSA-N 0 3 296.414 3.620 20 10 CHCDHN CC[C@@H]([NH2+]CCSCC(F)(F)F)c1ccccc1[O-] ZINC000698952793 1128069672 /nfs/dbraw/zinc/06/96/72/1128069672.db2.gz LUAIRKKSKXXEEO-LLVKDONJSA-N 0 3 293.354 3.728 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)c1ccccc1[O-] ZINC001168459213 1128142206 /nfs/dbraw/zinc/14/22/06/1128142206.db2.gz KUPXSGFSYWBVGU-QWHCGFSZSA-N 0 3 273.351 3.813 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1[O-] ZINC000926922537 1128203176 /nfs/dbraw/zinc/20/31/76/1128203176.db2.gz ZTMDGEGCEZGORM-CXAGYDPISA-N 0 3 297.398 3.957 20 10 CHCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCc3cccnc32)c1 ZINC000927063261 1128213316 /nfs/dbraw/zinc/21/33/16/1128213316.db2.gz BHNSGIAKJTWARP-WBMJQRKESA-N 0 3 298.386 3.524 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1cc(F)ccc1[O-] ZINC000927099676 1128217630 /nfs/dbraw/zinc/21/76/30/1128217630.db2.gz DDOQSRDEQDSCCL-NWDGAFQWSA-N 0 3 295.398 3.776 20 10 CHCDHN CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccccc1[O-] ZINC000777824987 1128288500 /nfs/dbraw/zinc/28/85/00/1128288500.db2.gz MPCLTEFAULIFBH-QGZVFWFLSA-N 0 3 285.387 3.984 20 10 CHCDHN CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccccc1[O-] ZINC000777824987 1128288502 /nfs/dbraw/zinc/28/85/02/1128288502.db2.gz MPCLTEFAULIFBH-QGZVFWFLSA-N 0 3 285.387 3.984 20 10 CHCDHN CCCC(O)(CCC)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000155923273 1128619065 /nfs/dbraw/zinc/61/90/65/1128619065.db2.gz FAQMOUOZAOWWAS-OAHLLOKOSA-N 0 3 279.424 3.764 20 10 CHCDHN C[N@H+](Cc1cccc(Cl)c1)Cc1cc(F)ccc1[O-] ZINC000778995839 1128675267 /nfs/dbraw/zinc/67/52/67/1128675267.db2.gz TTZUTNKYYNAJIH-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)ccc1[O-] ZINC000778995839 1128675269 /nfs/dbraw/zinc/67/52/69/1128675269.db2.gz TTZUTNKYYNAJIH-UHFFFAOYSA-N 0 3 279.742 3.817 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000779022545 1128684109 /nfs/dbraw/zinc/68/41/09/1128684109.db2.gz DTANTERDMOJBQJ-UHFFFAOYSA-N 0 3 295.423 3.783 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000779022545 1128684112 /nfs/dbraw/zinc/68/41/12/1128684112.db2.gz DTANTERDMOJBQJ-UHFFFAOYSA-N 0 3 295.423 3.783 20 10 CHCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1C ZINC000160160437 1117747119 /nfs/dbraw/zinc/74/71/19/1117747119.db2.gz OZZQUVVRVFTPPS-LJQANCHMSA-N 0 3 299.414 3.646 20 10 CHCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccccc1C ZINC000160160437 1117747122 /nfs/dbraw/zinc/74/71/22/1117747122.db2.gz OZZQUVVRVFTPPS-LJQANCHMSA-N 0 3 299.414 3.646 20 10 CHCDHN C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000185472195 1117828124 /nfs/dbraw/zinc/82/81/24/1117828124.db2.gz YDHCUGSVKSFKNS-WBMJQRKESA-N 0 3 296.430 3.548 20 10 CHCDHN C[C@@H](Cc1ccccc1)C[N@H+](C)Cc1ccccc1[O-] ZINC000753958312 1117898527 /nfs/dbraw/zinc/89/85/27/1117898527.db2.gz BPPMJVZEFSTUAW-HNNXBMFYSA-N 0 3 269.388 3.703 20 10 CHCDHN C[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1ccccc1[O-] ZINC000753958312 1117898534 /nfs/dbraw/zinc/89/85/34/1117898534.db2.gz BPPMJVZEFSTUAW-HNNXBMFYSA-N 0 3 269.388 3.703 20 10 CHCDHN C[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1[O-] ZINC000179581754 1128748724 /nfs/dbraw/zinc/74/87/24/1128748724.db2.gz JSVGXGLRVLKIJL-ZDUSSCGKSA-N 0 3 253.345 3.512 20 10 CHCDHN C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1[O-] ZINC000179581754 1128748726 /nfs/dbraw/zinc/74/87/26/1128748726.db2.gz JSVGXGLRVLKIJL-ZDUSSCGKSA-N 0 3 253.345 3.512 20 10 CHCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1[O-] ZINC000779151376 1128752967 /nfs/dbraw/zinc/75/29/67/1128752967.db2.gz XNAAGNDQUNLYDI-CYBMUJFWSA-N 0 3 297.826 3.790 20 10 CHCDHN COc1ccc([C@@H](C)C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000179770459 1128758249 /nfs/dbraw/zinc/75/82/49/1128758249.db2.gz HWDBFWQDGIXADM-AWEZNQCLSA-N 0 3 285.387 3.636 20 10 CHCDHN COc1ccc([C@@H](C)C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000179770459 1128758251 /nfs/dbraw/zinc/75/82/51/1128758251.db2.gz HWDBFWQDGIXADM-AWEZNQCLSA-N 0 3 285.387 3.636 20 10 CHCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2c1cccc2O ZINC000765387875 1118148269 /nfs/dbraw/zinc/14/82/69/1118148269.db2.gz FTWFTBRFTUHUGE-GOSISDBHSA-N 0 3 296.414 3.544 20 10 CHCDHN Cc1cc(CNCc2ccncc2)c(C)n1-c1ccccc1 ZINC000387073049 1118190113 /nfs/dbraw/zinc/19/01/13/1118190113.db2.gz QZRKGIAQHPEDOA-UHFFFAOYSA-N 0 3 291.398 3.779 20 10 CHCDHN CC(C)CSCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179901964 1128765387 /nfs/dbraw/zinc/76/53/87/1128765387.db2.gz HZCSUKUWWNRCDX-ZDUSSCGKSA-N 0 3 267.438 3.822 20 10 CHCDHN C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccccc1[O-] ZINC000179891330 1128764320 /nfs/dbraw/zinc/76/43/20/1128764320.db2.gz LYIWYJVSERZDHE-GFCCVEGCSA-N 0 3 275.779 3.939 20 10 CHCDHN C[C@H]([NH2+]CCO[C@@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000179899080 1128764936 /nfs/dbraw/zinc/76/49/36/1128764936.db2.gz NOAFLZSUMYVRFM-GRDNDAEWSA-N 0 3 277.408 3.638 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000179905777 1128765894 /nfs/dbraw/zinc/76/58/94/1128765894.db2.gz DTJXNQPEYWITBK-MRXNPFEDSA-N 0 3 271.335 3.651 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000179905777 1128765898 /nfs/dbraw/zinc/76/58/98/1128765898.db2.gz DTJXNQPEYWITBK-MRXNPFEDSA-N 0 3 271.335 3.651 20 10 CHCDHN CCCCCC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000037138834 1118271267 /nfs/dbraw/zinc/27/12/67/1118271267.db2.gz OPAQJMIUHPUHRE-GFCCVEGCSA-N 0 3 251.370 3.546 20 10 CHCDHN CCN(CC)c1ccc(CNCc2cccc(OC)c2)cc1 ZINC000072670090 1118280558 /nfs/dbraw/zinc/28/05/58/1118280558.db2.gz LIPZOTWFVMKLPV-UHFFFAOYSA-N 0 3 298.430 3.831 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccccc1[O-] ZINC000186184018 1118287579 /nfs/dbraw/zinc/28/75/79/1118287579.db2.gz KNHPEAHHUPSMFG-YOEHRIQHSA-N 0 3 297.398 3.999 20 10 CHCDHN CSCCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296490580 1118587253 /nfs/dbraw/zinc/58/72/53/1118587253.db2.gz POELFVOAYMAXII-ZDUSSCGKSA-N 0 3 265.422 3.502 20 10 CHCDHN Cc1ccc(OC[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000040499383 1118614203 /nfs/dbraw/zinc/61/42/03/1118614203.db2.gz OLIAQGPRKMBCML-LSDHHAIUSA-N 0 3 285.387 3.819 20 10 CHCDHN CCC(C)(C)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000189991349 1128790139 /nfs/dbraw/zinc/79/01/39/1128790139.db2.gz DLVKPHLXUGRWPO-UHFFFAOYSA-N 0 3 271.788 3.580 20 10 CHCDHN CC[C@@H]([NH2+]CCOC(C)(C)CC)c1ccccc1[O-] ZINC000308633671 1118742863 /nfs/dbraw/zinc/74/28/63/1118742863.db2.gz AECIRJPIMDNPEK-CQSZACIVSA-N 0 3 265.397 3.638 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])[C@@H]1CCCOC1 ZINC000723990760 1118797346 /nfs/dbraw/zinc/79/73/46/1118797346.db2.gz TYMHFOXNBRNMEA-FMKPAKJESA-N 0 3 277.408 3.556 20 10 CHCDHN CCOc1cccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1[O-] ZINC000132571407 1118852741 /nfs/dbraw/zinc/85/27/41/1118852741.db2.gz ZUWZCCVFWZOYTD-LBPRGKRZSA-N 0 3 265.397 3.657 20 10 CHCDHN CCOc1cccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1[O-] ZINC000132571407 1118852746 /nfs/dbraw/zinc/85/27/46/1118852746.db2.gz ZUWZCCVFWZOYTD-LBPRGKRZSA-N 0 3 265.397 3.657 20 10 CHCDHN C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C[C@H](C)O ZINC000077428692 1128808821 /nfs/dbraw/zinc/80/88/21/1128808821.db2.gz UGNCYYJWUPFHHA-CABCVRRESA-N 0 3 299.414 3.556 20 10 CHCDHN COc1cccc(CN(C)Cc2cccc(Cl)c2)c1O ZINC000161132169 1119006397 /nfs/dbraw/zinc/00/63/97/1119006397.db2.gz QDAURMRLBLKUHL-UHFFFAOYSA-N 0 3 291.778 3.686 20 10 CHCDHN CC[C@@]1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000190348377 1128819489 /nfs/dbraw/zinc/81/94/89/1128819489.db2.gz LKAFLFXWPJPDOC-SFHVURJKSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[C@@]1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000190348377 1128819491 /nfs/dbraw/zinc/81/94/91/1128819491.db2.gz LKAFLFXWPJPDOC-SFHVURJKSA-N 0 3 285.387 3.546 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cccc(C)n1)c1ccc(C)cc1[O-] ZINC000280028781 1119631418 /nfs/dbraw/zinc/63/14/18/1119631418.db2.gz HYZYCUHWCJVMFZ-QGZVFWFLSA-N 0 3 284.403 3.687 20 10 CHCDHN CCCCC[C@@H](CC)[NH2+]Cc1ccc(O)cc1[O-] ZINC000083385387 1119636408 /nfs/dbraw/zinc/63/64/08/1119636408.db2.gz YVBDKHTXJVXJCQ-CYBMUJFWSA-N 0 3 251.370 3.546 20 10 CHCDHN [O-]c1ccccc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000179555607 1119751354 /nfs/dbraw/zinc/75/13/54/1119751354.db2.gz XLJPCZZMMHAVML-UHFFFAOYSA-N 0 3 253.345 3.557 20 10 CHCDHN [O-]c1ccccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000179555607 1119751357 /nfs/dbraw/zinc/75/13/57/1119751357.db2.gz XLJPCZZMMHAVML-UHFFFAOYSA-N 0 3 253.345 3.557 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccccc1[O-] ZINC000158099034 1119777691 /nfs/dbraw/zinc/77/76/91/1119777691.db2.gz XRCIKVZWVASLAY-WCQYABFASA-N 0 3 276.405 3.693 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000187594723 1119906337 /nfs/dbraw/zinc/90/63/37/1119906337.db2.gz OHCCLSUNXKLTPX-ZDUSSCGKSA-N 0 3 289.325 3.660 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000187594723 1119906339 /nfs/dbraw/zinc/90/63/39/1119906339.db2.gz OHCCLSUNXKLTPX-ZDUSSCGKSA-N 0 3 289.325 3.660 20 10 CHCDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccoc1 ZINC000178192022 1119944248 /nfs/dbraw/zinc/94/42/48/1119944248.db2.gz NGCHYDZXMLZQRI-ZDUSSCGKSA-N 0 3 270.376 3.513 20 10 CHCDHN Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CCC2 ZINC000376351215 1119951972 /nfs/dbraw/zinc/95/19/72/1119951972.db2.gz JXXNQBQJUFMWSV-GWCFXTLKSA-N 0 3 288.416 3.885 20 10 CHCDHN CC(C)(C)OCc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000236575332 1119965973 /nfs/dbraw/zinc/96/59/73/1119965973.db2.gz BLPJHNDGVIRCKU-UHFFFAOYSA-N 0 3 299.414 3.997 20 10 CHCDHN Cc1ccc(O)c([C@H](C)NCc2cc(F)ccc2F)c1 ZINC000107929079 1120062918 /nfs/dbraw/zinc/06/29/18/1120062918.db2.gz LZPKBXHJVOVVEJ-NSHDSACASA-N 0 3 277.314 3.830 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]CCC(C)(C)C)c1[O-] ZINC000169085013 1120102490 /nfs/dbraw/zinc/10/24/90/1120102490.db2.gz CFSPQGVGFWREKS-UHFFFAOYSA-N 0 3 271.788 3.580 20 10 CHCDHN CC[C@H]([NH2+]CCCOC(C)(C)C)c1ccccc1[O-] ZINC000695278303 1120182912 /nfs/dbraw/zinc/18/29/12/1120182912.db2.gz CXLDRARZEZVUSV-AWEZNQCLSA-N 0 3 265.397 3.638 20 10 CHCDHN CCCCOCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756340473 1120212493 /nfs/dbraw/zinc/21/24/93/1120212493.db2.gz IPHMIDSTKGFPSK-TZMCWYRMSA-N 0 3 295.398 3.876 20 10 CHCDHN CCC[N@H+](CCCC1CCOCC1)Cc1ccccc1[O-] ZINC000765932640 1120217339 /nfs/dbraw/zinc/21/73/39/1120217339.db2.gz NGBHOEDQMRHFFF-UHFFFAOYSA-N 0 3 291.435 3.811 20 10 CHCDHN CCC[N@@H+](CCCC1CCOCC1)Cc1ccccc1[O-] ZINC000765932640 1120217342 /nfs/dbraw/zinc/21/73/42/1120217342.db2.gz NGBHOEDQMRHFFF-UHFFFAOYSA-N 0 3 291.435 3.811 20 10 CHCDHN C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cc(F)ccc1[O-] ZINC000186500113 1120241775 /nfs/dbraw/zinc/24/17/75/1120241775.db2.gz OSBFLTMPTTVRQG-QMTHXVAHSA-N 0 3 281.371 3.528 20 10 CHCDHN C[C@@H]1C[C@H]([NH2+]Cc2cccs2)c2c1c(F)ccc2[O-] ZINC000756373100 1120276887 /nfs/dbraw/zinc/27/68/87/1120276887.db2.gz SRXWGBNFJASRPH-SKDRFNHKSA-N 0 3 277.364 3.931 20 10 CHCDHN Cc1ccc(C(C)(C)NCc2ccc3c(c2)CCCO3)cn1 ZINC000921995061 1120325137 /nfs/dbraw/zinc/32/51/37/1120325137.db2.gz CXYJIGJKMMHPAU-UHFFFAOYSA-N 0 3 296.414 3.740 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000020092187 1120583399 /nfs/dbraw/zinc/58/33/99/1120583399.db2.gz FOWNIFNSHZENLO-AWEZNQCLSA-N 0 3 255.361 3.860 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282433081 1120660737 /nfs/dbraw/zinc/66/07/37/1120660737.db2.gz DIFXBECJSGXGDL-PBHICJAKSA-N 0 3 289.419 3.701 20 10 CHCDHN Cc1cnc([C@H](C)C[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000186774518 1120666370 /nfs/dbraw/zinc/66/63/70/1120666370.db2.gz KFVPHEQKXAUTGC-ZYHUDNBSSA-N 0 3 276.405 3.611 20 10 CHCDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCOC1 ZINC000093839874 1120887323 /nfs/dbraw/zinc/88/73/23/1120887323.db2.gz WMEBTUYZOWJATP-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H]1CCOC1 ZINC000093839874 1120887328 /nfs/dbraw/zinc/88/73/28/1120887328.db2.gz WMEBTUYZOWJATP-OAHLLOKOSA-N 0 3 297.398 3.528 20 10 CHCDHN CC[C@@H](NCc1cncc(C)c1)c1ccc(N(C)C)cc1 ZINC000181837489 1120894381 /nfs/dbraw/zinc/89/43/81/1120894381.db2.gz KZFZGVOOBSLXHQ-GOSISDBHSA-N 0 3 283.419 3.697 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(C)c(C)n2)c(O)c1 ZINC000314309312 1120926657 /nfs/dbraw/zinc/92/66/57/1120926657.db2.gz QSDUFJFINWECAO-AWEZNQCLSA-N 0 3 270.376 3.563 20 10 CHCDHN Cc1ccccc1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000094182666 1120980205 /nfs/dbraw/zinc/98/02/05/1120980205.db2.gz UIGCJAVNVXCHQE-CQSZACIVSA-N 0 3 255.361 3.594 20 10 CHCDHN CC[C@@H]([NH2+]CCC1(F)CCC1)c1ccccc1[O-] ZINC000702433203 1121199686 /nfs/dbraw/zinc/19/96/86/1121199686.db2.gz UXORJYFEZVLHBG-CYBMUJFWSA-N 0 3 251.345 3.715 20 10 CHCDHN C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1[O-] ZINC001175419216 1121318456 /nfs/dbraw/zinc/31/84/56/1121318456.db2.gz TYSXANWSXSVODY-ZDUSSCGKSA-N 0 3 278.355 3.791 20 10 CHCDHN Cc1ncoc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000894016310 1121455908 /nfs/dbraw/zinc/45/59/08/1121455908.db2.gz ANFNOMMCTSVROM-UHFFFAOYSA-N 0 3 286.375 3.633 20 10 CHCDHN Cc1ncoc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000894016310 1121455911 /nfs/dbraw/zinc/45/59/11/1121455911.db2.gz ANFNOMMCTSVROM-UHFFFAOYSA-N 0 3 286.375 3.633 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C2CCC3(CC3)CC2)c1[O-] ZINC000709949487 1121471863 /nfs/dbraw/zinc/47/18/63/1121471863.db2.gz WPNONDCAOVMVPF-UHFFFAOYSA-N 0 3 295.810 3.867 20 10 CHCDHN CC[C@@H]([NH2+]CCSC(C)C)c1ccccc1[O-] ZINC000283084271 1121587764 /nfs/dbraw/zinc/58/77/64/1121587764.db2.gz KXAMEEHLQSCFDB-CYBMUJFWSA-N 0 3 253.411 3.575 20 10 CHCDHN COc1cc(C)cc(CNCc2ccccc2Cl)c1O ZINC000894149989 1121670754 /nfs/dbraw/zinc/67/07/54/1121670754.db2.gz SRFWAESTDCQDOB-UHFFFAOYSA-N 0 3 291.778 3.652 20 10 CHCDHN C[N@H+](CCCc1cccc(F)c1)Cc1ccccc1[O-] ZINC000182873168 1129007963 /nfs/dbraw/zinc/00/79/63/1129007963.db2.gz HIOBQKVQNMIFAU-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN C[N@@H+](CCCc1cccc(F)c1)Cc1ccccc1[O-] ZINC000182873168 1129007968 /nfs/dbraw/zinc/00/79/68/1129007968.db2.gz HIOBQKVQNMIFAU-UHFFFAOYSA-N 0 3 273.351 3.596 20 10 CHCDHN CCN(C)c1ccc(CN(C)Cc2ccsc2)cc1 ZINC000773729441 1121773408 /nfs/dbraw/zinc/77/34/08/1121773408.db2.gz CSYWTGNOQURONP-UHFFFAOYSA-N 0 3 274.433 3.836 20 10 CHCDHN CCSCC[C@H](C)[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001179962693 1121936960 /nfs/dbraw/zinc/93/69/60/1121936960.db2.gz QSOGNUCPDSYRON-ZDUSSCGKSA-N 0 3 297.464 3.673 20 10 CHCDHN CCSCC[C@H](C)[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001179962693 1121936966 /nfs/dbraw/zinc/93/69/66/1121936966.db2.gz QSOGNUCPDSYRON-ZDUSSCGKSA-N 0 3 297.464 3.673 20 10 CHCDHN CCC[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001180203261 1121962838 /nfs/dbraw/zinc/96/28/38/1121962838.db2.gz NRXUDIMJMMRWMR-MRXNPFEDSA-N 0 3 265.372 3.934 20 10 CHCDHN CCC[C@]1(C)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001180203261 1121962845 /nfs/dbraw/zinc/96/28/45/1121962845.db2.gz NRXUDIMJMMRWMR-MRXNPFEDSA-N 0 3 265.372 3.934 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1cccc2cnccc21 ZINC000183127201 1129024947 /nfs/dbraw/zinc/02/49/47/1129024947.db2.gz HGHVUCCVPRJQKM-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1cccc2cnccc21 ZINC000183127201 1129024949 /nfs/dbraw/zinc/02/49/49/1129024949.db2.gz HGHVUCCVPRJQKM-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001181656677 1122068015 /nfs/dbraw/zinc/06/80/15/1122068015.db2.gz UFOJZFQBHXZANM-UHFFFAOYSA-N 0 3 297.373 3.969 20 10 CHCDHN [O-]c1ccc(F)cc1C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001181656677 1122068023 /nfs/dbraw/zinc/06/80/23/1122068023.db2.gz UFOJZFQBHXZANM-UHFFFAOYSA-N 0 3 297.373 3.969 20 10 CHCDHN Cc1ccc(C)n1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000272329362 1122197564 /nfs/dbraw/zinc/19/75/64/1122197564.db2.gz VUZNZDCQQKIWHM-UHFFFAOYSA-N 0 3 284.403 3.648 20 10 CHCDHN COc1cc(C)c(C[NH2+]Cc2cc(C)cc(C)c2)c([O-])c1 ZINC001183023566 1122201747 /nfs/dbraw/zinc/20/17/47/1122201747.db2.gz GWFWDAGAITXEEG-UHFFFAOYSA-N 0 3 285.387 3.616 20 10 CHCDHN CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CCO1 ZINC000272895344 1122215074 /nfs/dbraw/zinc/21/50/74/1122215074.db2.gz UCOKMZLEGVZWJF-SOUVJXGZSA-N 0 3 277.408 3.637 20 10 CHCDHN CC1=CCC[C@H](C)[C@H]1C[N@@H+]1Cc2cccc([O-])c2C1 ZINC001183454575 1122224235 /nfs/dbraw/zinc/22/42/35/1122224235.db2.gz MHLFGBRQEDGYBA-ZFWWWQNUSA-N 0 3 257.377 3.700 20 10 CHCDHN CC1=CCC[C@H](C)[C@H]1C[N@H+]1Cc2cccc([O-])c2C1 ZINC001183454575 1122224238 /nfs/dbraw/zinc/22/42/38/1122224238.db2.gz MHLFGBRQEDGYBA-ZFWWWQNUSA-N 0 3 257.377 3.700 20 10 CHCDHN COCC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccco1 ZINC000273391118 1122231495 /nfs/dbraw/zinc/23/14/95/1122231495.db2.gz DNDKQVORCMZDNW-SMDDNHRTSA-N 0 3 293.338 3.553 20 10 CHCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c1[O-] ZINC001203602261 1122303373 /nfs/dbraw/zinc/30/33/73/1122303373.db2.gz LSTGZLFKRPTXRI-ZIAGYGMSSA-N 0 3 277.408 3.659 20 10 CHCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1[O-] ZINC001203602261 1122303377 /nfs/dbraw/zinc/30/33/77/1122303377.db2.gz LSTGZLFKRPTXRI-ZIAGYGMSSA-N 0 3 277.408 3.659 20 10 CHCDHN C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccccc1[O-] ZINC000183425809 1129054476 /nfs/dbraw/zinc/05/44/76/1129054476.db2.gz JCOARAKJLAEOFD-YOEHRIQHSA-N 0 3 290.451 3.553 20 10 CHCDHN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N(C)C)cc1 ZINC000183468033 1129056818 /nfs/dbraw/zinc/05/68/18/1129056818.db2.gz AVRFXKXFWHGBBT-QAPCUYQASA-N 0 3 298.430 3.654 20 10 CHCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccccc1[O-] ZINC000183514158 1129059419 /nfs/dbraw/zinc/05/94/19/1129059419.db2.gz XJGCZCLLONZOOY-JKSUJKDBSA-N 0 3 296.414 3.712 20 10 CHCDHN C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccccc1[O-] ZINC000183519956 1129059739 /nfs/dbraw/zinc/05/97/39/1129059739.db2.gz FUYHNKXYKIWXAJ-VBQJREDUSA-N 0 3 291.435 3.884 20 10 CHCDHN C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1ccccc1[O-] ZINC000183534250 1129061125 /nfs/dbraw/zinc/06/11/25/1129061125.db2.gz LWTQICHZPWXJGK-QWHCGFSZSA-N 0 3 289.350 3.649 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccc(C)c(OC)c1)c1ccccc1[O-] ZINC000775509211 1122632656 /nfs/dbraw/zinc/63/26/56/1122632656.db2.gz JDBCUARVYQZOFW-QGZVFWFLSA-N 0 3 299.414 3.993 20 10 CHCDHN CC[C@H]([NH2+][C@@H](COC)Cc1ccccc1)c1ccccc1[O-] ZINC000775514082 1122634326 /nfs/dbraw/zinc/63/43/26/1122634326.db2.gz VOWLLTHNEYUTBV-AEFFLSMTSA-N 0 3 299.414 3.691 20 10 CHCDHN COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000183631317 1129072854 /nfs/dbraw/zinc/07/28/54/1129072854.db2.gz ZHPGZDHWTOAVKW-CABCVRRESA-N 0 3 299.414 3.930 20 10 CHCDHN Cc1cc(Cl)cc(CN(C)Cc2cccc(O)c2)c1O ZINC000775633159 1122837823 /nfs/dbraw/zinc/83/78/23/1122837823.db2.gz FDFUIGPKBHBTRP-UHFFFAOYSA-N 0 3 291.778 3.692 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)Cc2cccc(O)c2)c1[O-] ZINC000775633159 1122837826 /nfs/dbraw/zinc/83/78/26/1122837826.db2.gz FDFUIGPKBHBTRP-UHFFFAOYSA-N 0 3 291.778 3.692 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)Cc2cccc(O)c2)c1[O-] ZINC000775633159 1122837831 /nfs/dbraw/zinc/83/78/31/1122837831.db2.gz FDFUIGPKBHBTRP-UHFFFAOYSA-N 0 3 291.778 3.692 20 10 CHCDHN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2[O-])CCS1 ZINC000775702311 1122914460 /nfs/dbraw/zinc/91/44/60/1122914460.db2.gz OQPYGBGLQUAGIN-CYBMUJFWSA-N 0 3 285.840 3.681 20 10 CHCDHN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])CCS1 ZINC000775702311 1122914464 /nfs/dbraw/zinc/91/44/64/1122914464.db2.gz OQPYGBGLQUAGIN-CYBMUJFWSA-N 0 3 285.840 3.681 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]2C(C)C)c1[O-] ZINC000775766279 1122952446 /nfs/dbraw/zinc/95/24/46/1122952446.db2.gz VXCDUMBJKGJWMH-ZDUSSCGKSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]2C(C)C)c1[O-] ZINC000775766279 1122952449 /nfs/dbraw/zinc/95/24/49/1122952449.db2.gz VXCDUMBJKGJWMH-ZDUSSCGKSA-N 0 3 253.773 3.584 20 10 CHCDHN C[C@@H](NCc1ccnc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000775832371 1122984789 /nfs/dbraw/zinc/98/47/89/1122984789.db2.gz ZXPMVEKSJCOIBI-GFCCVEGCSA-N 0 3 289.810 3.652 20 10 CHCDHN C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000776014052 1123035228 /nfs/dbraw/zinc/03/52/28/1123035228.db2.gz QGVSAHASFPGBQN-ZYHUDNBSSA-N 0 3 273.298 3.555 20 10 CHCDHN C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccccc1[O-] ZINC000776014052 1123035232 /nfs/dbraw/zinc/03/52/32/1123035232.db2.gz QGVSAHASFPGBQN-ZYHUDNBSSA-N 0 3 273.298 3.555 20 10 CHCDHN CCC1(c2ccccc2)C[NH+](Cc2ccccc2[O-])C1 ZINC000839186414 1123043074 /nfs/dbraw/zinc/04/30/74/1123043074.db2.gz LAEDFHSFWNGJIP-UHFFFAOYSA-N 0 3 267.372 3.556 20 10 CHCDHN Cc1cccc(CNCc2ccc3ccccc3n2)c1O ZINC000776087632 1123054785 /nfs/dbraw/zinc/05/47/85/1123054785.db2.gz ZYBJCAAKJCBCKP-UHFFFAOYSA-N 0 3 278.355 3.539 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(C)cc1[O-] ZINC000850481641 1123273117 /nfs/dbraw/zinc/27/31/17/1123273117.db2.gz IHMFWOAETPCYHH-GOEBONIOSA-N 0 3 284.403 3.940 20 10 CHCDHN CC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(C)cc1[O-] ZINC000850483546 1123274047 /nfs/dbraw/zinc/27/40/47/1123274047.db2.gz ZTXFDMOUZGJNTM-GDBMZVCRSA-N 0 3 290.451 3.614 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000850527226 1123281630 /nfs/dbraw/zinc/28/16/30/1123281630.db2.gz VNKCWFZHJCHVBN-DGCLKSJQSA-N 0 3 295.398 3.874 20 10 CHCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)c2c1c(F)ccc2[O-] ZINC000850536498 1123286817 /nfs/dbraw/zinc/28/68/17/1123286817.db2.gz KQRKDTWTGOFUOB-PJCOJXEDSA-N 0 3 285.309 3.715 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c([O-])c1 ZINC000850537670 1123288252 /nfs/dbraw/zinc/28/82/52/1123288252.db2.gz WXTLHDDXDDVSSV-FZMZJTMJSA-N 0 3 269.335 3.787 20 10 CHCDHN CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccccc1 ZINC000850555149 1123290957 /nfs/dbraw/zinc/29/09/57/1123290957.db2.gz MIQAYACUKFTLQK-ZOCIIQOWSA-N 0 3 299.414 3.801 20 10 CHCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)c1[O-] ZINC000850570407 1123294025 /nfs/dbraw/zinc/29/40/25/1123294025.db2.gz GYLIRWZCUDAAAC-NEPJUHHUSA-N 0 3 297.826 3.820 20 10 CHCDHN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000850583235 1123296215 /nfs/dbraw/zinc/29/62/15/1123296215.db2.gz JYCYHPSEWWHRHB-DKSSEZFCSA-N 0 3 299.414 3.863 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1C ZINC000850579182 1123296462 /nfs/dbraw/zinc/29/64/62/1123296462.db2.gz SZZKFYJISHNITC-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN CSc1cccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000851840859 1123384358 /nfs/dbraw/zinc/38/43/58/1123384358.db2.gz JXYFVVVSWPBZFV-UHFFFAOYSA-N 0 3 273.401 3.746 20 10 CHCDHN CSc1cccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000851840859 1123384360 /nfs/dbraw/zinc/38/43/60/1123384360.db2.gz JXYFVVVSWPBZFV-UHFFFAOYSA-N 0 3 273.401 3.746 20 10 CHCDHN CCCC[N@H+](Cc1cccc(N)c1)Cc1ccccc1[O-] ZINC000852018623 1123393425 /nfs/dbraw/zinc/39/34/25/1123393425.db2.gz ORWPTTMCGBJUMG-UHFFFAOYSA-N 0 3 284.403 3.777 20 10 CHCDHN CCCC[N@@H+](Cc1cccc(N)c1)Cc1ccccc1[O-] ZINC000852018623 1123393430 /nfs/dbraw/zinc/39/34/30/1123393430.db2.gz ORWPTTMCGBJUMG-UHFFFAOYSA-N 0 3 284.403 3.777 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(C)cc1[O-] ZINC000794805590 1123403851 /nfs/dbraw/zinc/40/38/51/1123403851.db2.gz XTEHFXKUPWJUST-ZFWWWQNUSA-N 0 3 279.424 3.538 20 10 CHCDHN C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccccc1[O-] ZINC000853242735 1123429866 /nfs/dbraw/zinc/42/98/66/1123429866.db2.gz RRQQRVWKIOKQLD-JTQLQIEISA-N 0 3 296.292 3.657 20 10 CHCDHN COc1cccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000783521094 1123470068 /nfs/dbraw/zinc/47/00/68/1123470068.db2.gz DTRMFCIBIJBMAS-UONOGXRCSA-N 0 3 285.387 3.683 20 10 CHCDHN C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC000112583741 1123494413 /nfs/dbraw/zinc/49/44/13/1123494413.db2.gz FQQLFDMOKBKPLT-UHFFFAOYSA-N 0 3 291.778 3.556 20 10 CHCDHN C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC000112583741 1123494416 /nfs/dbraw/zinc/49/44/16/1123494416.db2.gz FQQLFDMOKBKPLT-UHFFFAOYSA-N 0 3 291.778 3.556 20 10 CHCDHN Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000281126583 1123683061 /nfs/dbraw/zinc/68/30/61/1123683061.db2.gz DPNDKZATHHMAKY-WBVHZDCISA-N 0 3 296.414 3.912 20 10 CHCDHN Cc1ncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000862242497 1123794729 /nfs/dbraw/zinc/79/47/29/1123794729.db2.gz HMXLUNGDJNPKGD-UHFFFAOYSA-N 0 3 286.375 3.633 20 10 CHCDHN Cc1ncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)o1 ZINC000862242497 1123794730 /nfs/dbraw/zinc/79/47/30/1123794730.db2.gz HMXLUNGDJNPKGD-UHFFFAOYSA-N 0 3 286.375 3.633 20 10 CHCDHN CCCCOCCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000119120298 1123831529 /nfs/dbraw/zinc/83/15/29/1123831529.db2.gz BYZYTZSGMVQXIL-OAHLLOKOSA-N 0 3 265.397 3.640 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)c([O-])c1 ZINC000840875436 1123888924 /nfs/dbraw/zinc/88/89/24/1123888924.db2.gz GXMYZSUXQFUHTE-IACUBPJLSA-N 0 3 251.345 3.632 20 10 CHCDHN C[N@H+](Cc1ccc2ncccc2c1)Cc1ccccc1[O-] ZINC000120048567 1123929234 /nfs/dbraw/zinc/92/92/34/1123929234.db2.gz HQAZPMAZKAFMKA-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccc2ncccc2c1)Cc1ccccc1[O-] ZINC000120048567 1123929237 /nfs/dbraw/zinc/92/92/37/1123929237.db2.gz HQAZPMAZKAFMKA-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN CC[C@H]([NH2+]CC1CCC(OC)CC1)c1ccc(C)cc1[O-] ZINC000794802103 1123950794 /nfs/dbraw/zinc/95/07/94/1123950794.db2.gz MTJNADOQNUAQDI-DQPZFDDXSA-N 0 3 291.435 3.947 20 10 CHCDHN CC[C@@H]([NH2+]CCc1ccccc1O)c1ccc(C)cc1[O-] ZINC000794803903 1123952861 /nfs/dbraw/zinc/95/28/61/1123952861.db2.gz KYHWGSTZVADGIH-MRXNPFEDSA-N 0 3 285.387 3.690 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccc(C)cc1[O-] ZINC000794803722 1123953424 /nfs/dbraw/zinc/95/34/24/1123953424.db2.gz SMSKBBGIRINUEA-DZGCQCFKSA-N 0 3 279.424 3.945 20 10 CHCDHN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794803672 1123954216 /nfs/dbraw/zinc/95/42/16/1123954216.db2.gz ROHLLAQICFWWSD-FMKPAKJESA-N 0 3 279.424 3.538 20 10 CHCDHN CC[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(C)cc1[O-] ZINC000794806285 1123955572 /nfs/dbraw/zinc/95/55/72/1123955572.db2.gz ZSUJAZFQANNXRN-SZMVWBNQSA-N 0 3 291.435 3.683 20 10 CHCDHN CC[C@@H]([NH2+]CCc1cnc(C)s1)c1ccc(C)cc1[O-] ZINC000794814041 1123957009 /nfs/dbraw/zinc/95/70/09/1123957009.db2.gz GNQFNDCBTZGZSX-OAHLLOKOSA-N 0 3 290.432 3.749 20 10 CHCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1ccc(C)cc1[O-] ZINC000794815167 1123958367 /nfs/dbraw/zinc/95/83/67/1123958367.db2.gz HYFDIRIPYBHGFN-JLJPHGGASA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+][C@@H](CC)CSC)c1ccc(C)cc1[O-] ZINC000794818549 1123959707 /nfs/dbraw/zinc/95/97/07/1123959707.db2.gz UIQRLXUGQICYDF-GXTWGEPZSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@H](CSC)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794818553 1123959828 /nfs/dbraw/zinc/95/98/28/1123959828.db2.gz UIQRLXUGQICYDF-TZMCWYRMSA-N 0 3 267.438 3.883 20 10 CHCDHN CC[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc(C)cc1[O-] ZINC000794817830 1123960940 /nfs/dbraw/zinc/96/09/40/1123960940.db2.gz RMTUYVWPKWNCNT-HNNXBMFYSA-N 0 3 259.393 3.932 20 10 CHCDHN CC[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000794818657 1123961352 /nfs/dbraw/zinc/96/13/52/1123961352.db2.gz XUGYOQBMKJTUPX-SFHVURJKSA-N 0 3 281.399 3.909 20 10 CHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccnc(F)c2)cc1 ZINC000866472704 1124068654 /nfs/dbraw/zinc/06/86/54/1124068654.db2.gz CXAGTJAYLCGSHL-CYBMUJFWSA-N 0 3 287.382 3.528 20 10 CHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2CCOC3)c([O-])c1 ZINC000866479319 1124071019 /nfs/dbraw/zinc/07/10/19/1124071019.db2.gz RPQWTJVRAAPHGP-AWEZNQCLSA-N 0 3 297.398 3.624 20 10 CHCDHN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccccc1[O-] ZINC000866623094 1124090945 /nfs/dbraw/zinc/09/09/45/1124090945.db2.gz RYIGPSCHCZOKDR-CZUORRHYSA-N 0 3 275.392 3.535 20 10 CHCDHN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000866632683 1124091897 /nfs/dbraw/zinc/09/18/97/1124091897.db2.gz BDAJYNPXXVYDTC-NTZNESFSSA-N 0 3 285.815 3.554 20 10 CHCDHN COc1ccc(O)c(CN[C@H](C)c2cc3ccccc3o2)c1 ZINC000122074647 1124464313 /nfs/dbraw/zinc/46/43/13/1124464313.db2.gz PDUNECOICNXOGJ-GFCCVEGCSA-N 0 3 297.354 3.998 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@@H](O)c1ccccc1 ZINC000872134423 1124692329 /nfs/dbraw/zinc/69/23/29/1124692329.db2.gz WCJZVVWXUDRNIQ-SKDZVZGDSA-N 0 3 285.387 3.555 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872721387 1124727632 /nfs/dbraw/zinc/72/76/32/1124727632.db2.gz FOYCPQFUFMWBLJ-HUUCEWRRSA-N 0 3 299.439 3.730 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872721387 1124727640 /nfs/dbraw/zinc/72/76/40/1124727640.db2.gz FOYCPQFUFMWBLJ-HUUCEWRRSA-N 0 3 299.439 3.730 20 10 CHCDHN CCCOc1ccc(CN[C@H](C)c2ccc[nH]2)cc1C ZINC000873096931 1124738838 /nfs/dbraw/zinc/73/88/38/1124738838.db2.gz AXQKZVLSEQOVCX-CQSZACIVSA-N 0 3 272.392 3.963 20 10 CHCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c([O-])c1 ZINC000876637041 1124966805 /nfs/dbraw/zinc/96/68/05/1124966805.db2.gz PANJZIYPPAOXKI-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c([O-])c1 ZINC000876637041 1124966810 /nfs/dbraw/zinc/96/68/10/1124966810.db2.gz PANJZIYPPAOXKI-QGZVFWFLSA-N 0 3 283.371 3.743 20 10 CHCDHN CCOCc1ccc(C[NH2+]Cc2ccc(C)cc2[O-])cc1 ZINC000876927247 1124990466 /nfs/dbraw/zinc/99/04/66/1124990466.db2.gz WQVGEGLAFMBXEI-UHFFFAOYSA-N 0 3 285.387 3.527 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)c([O-])c1 ZINC000877016214 1124998057 /nfs/dbraw/zinc/99/80/57/1124998057.db2.gz DEBISBJSLJMNFZ-AWEZNQCLSA-N 0 3 285.387 3.517 20 10 CHCDHN CCc1ccccc1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877060263 1125004053 /nfs/dbraw/zinc/00/40/53/1125004053.db2.gz WEECHPTZMGKPAN-UHFFFAOYSA-N 0 3 255.361 3.553 20 10 CHCDHN CCOCCC1(C[NH2+]Cc2c(C)cccc2[O-])CCCC1 ZINC000877086083 1125008271 /nfs/dbraw/zinc/00/82/71/1125008271.db2.gz MJUAYAXPWYBNCM-UHFFFAOYSA-N 0 3 291.435 3.777 20 10 CHCDHN CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])CCO1 ZINC000877167486 1125016751 /nfs/dbraw/zinc/01/67/51/1125016751.db2.gz ZOCXYQPRFNBMOK-QAPCUYQASA-N 0 3 291.435 3.774 20 10 CHCDHN CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])CCO1 ZINC000877166467 1125017268 /nfs/dbraw/zinc/01/72/68/1125017268.db2.gz AMKCOMKIADTRMF-WMZOPIPTSA-N 0 3 291.435 3.774 20 10 CHCDHN Cc1ccc(C2CC[NH+](Cc3c(C)cccc3[O-])CC2)cn1 ZINC000877197292 1125018065 /nfs/dbraw/zinc/01/80/65/1125018065.db2.gz RIPXCOOFPAIQRE-UHFFFAOYSA-N 0 3 296.414 3.784 20 10 CHCDHN Cc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c([O-])c1 ZINC000877481409 1125033165 /nfs/dbraw/zinc/03/31/65/1125033165.db2.gz GTADSPHGVCOCRU-SFHVURJKSA-N 0 3 299.414 3.550 20 10 CHCDHN Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])s1 ZINC000877684932 1125063096 /nfs/dbraw/zinc/06/30/96/1125063096.db2.gz DITKDTFSOJHUAG-SECBINFHSA-N 0 3 296.823 3.970 20 10 CHCDHN Cc1cccc(CNCc2ccc(C(C)(C)C)o2)c1O ZINC000877735511 1125070912 /nfs/dbraw/zinc/07/09/12/1125070912.db2.gz VOXNDHBPGMDKNE-UHFFFAOYSA-N 0 3 273.376 3.881 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878242893 1125134277 /nfs/dbraw/zinc/13/42/77/1125134277.db2.gz WSHAYIXOLUHZTA-HKUYNNGSSA-N 0 3 297.398 3.744 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878242893 1125134280 /nfs/dbraw/zinc/13/42/80/1125134280.db2.gz WSHAYIXOLUHZTA-HKUYNNGSSA-N 0 3 297.398 3.744 20 10 CHCDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1N(C)C ZINC000879649706 1125222203 /nfs/dbraw/zinc/22/22/03/1125222203.db2.gz CRJRCPNXYSBXOM-AWEZNQCLSA-N 0 3 284.403 3.617 20 10 CHCDHN Cc1cc(C)c(C[NH2+][C@H](C)c2ccccc2[O-])c(C)n1 ZINC000879649726 1125222549 /nfs/dbraw/zinc/22/25/49/1125222549.db2.gz FFOZSSRZSAPPHT-CYBMUJFWSA-N 0 3 270.376 3.563 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C2CCCC2)c1[O-] ZINC000228674601 1125250843 /nfs/dbraw/zinc/25/08/43/1125250843.db2.gz YKAAWJFEMNQTCD-SNVBAGLBSA-N 0 3 283.799 3.723 20 10 CHCDHN CSc1ccc(CN[C@@H](C)c2ccccc2O)o1 ZINC000883225584 1125379823 /nfs/dbraw/zinc/37/98/23/1125379823.db2.gz JWVMTQKCQQKRMK-JTQLQIEISA-N 0 3 263.362 3.558 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1[O-] ZINC000883368900 1125403397 /nfs/dbraw/zinc/40/33/97/1125403397.db2.gz FBWFJNJUHYQAKJ-OIISXLGYSA-N 0 3 275.392 3.535 20 10 CHCDHN COc1cccc(C[N@H+](C)C2CCCCCC2)c1[O-] ZINC000132358005 1125417601 /nfs/dbraw/zinc/41/76/01/1125417601.db2.gz OSSDNODKFJGRES-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN COc1cccc(C[N@@H+](C)C2CCCCCC2)c1[O-] ZINC000132358005 1125417603 /nfs/dbraw/zinc/41/76/03/1125417603.db2.gz OSSDNODKFJGRES-UHFFFAOYSA-N 0 3 263.381 3.555 20 10 CHCDHN C[C@H]([NH2+]CCCNc1cccc(F)c1)c1ccccc1[O-] ZINC000184462831 1129201324 /nfs/dbraw/zinc/20/13/24/1129201324.db2.gz ZPIJYMANUGRIBP-ZDUSSCGKSA-N 0 3 288.366 3.684 20 10 CHCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295771527 1129219126 /nfs/dbraw/zinc/21/91/26/1129219126.db2.gz AJPRBUWNQQFBIZ-MLGOLLRUSA-N 0 3 283.371 3.739 20 10 CHCDHN CCOc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295977004 1129220879 /nfs/dbraw/zinc/22/08/79/1129220879.db2.gz MZLQQDWRDQUNJH-MRXNPFEDSA-N 0 3 283.371 3.568 20 10 CHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(F)cc(F)c2)c1 ZINC000184931857 1129264240 /nfs/dbraw/zinc/26/42/40/1129264240.db2.gz PIFQKOXAWTZVSQ-SNVBAGLBSA-N 0 3 293.313 3.530 20 10 CHCDHN COc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037778493 1129268664 /nfs/dbraw/zinc/26/86/64/1129268664.db2.gz GZXMEGGQOASMSX-UONOGXRCSA-N 0 3 285.387 3.683 20 10 CHCDHN COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037778491 1129268804 /nfs/dbraw/zinc/26/88/04/1129268804.db2.gz GZXMEGGQOASMSX-KBPBESRZSA-N 0 3 285.387 3.683 20 10 CHCDHN CCC(CC)(CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000734843092 1129324270 /nfs/dbraw/zinc/32/42/70/1129324270.db2.gz GWZIQCTYOWGHEW-UHFFFAOYSA-N 0 3 299.414 3.700 20 10 CHCDHN Clc1ccc(CNCCCSc2nccs2)o1 ZINC000735925756 1129360796 /nfs/dbraw/zinc/36/07/96/1129360796.db2.gz PYKWPCZINXLBOX-UHFFFAOYSA-N 0 3 288.825 3.662 20 10 CHCDHN CC(C)Cn1ccnc1NCc1c(O)cccc1Cl ZINC000795804861 1129449891 /nfs/dbraw/zinc/44/98/91/1129449891.db2.gz DBWDTRBQCHVUFA-UHFFFAOYSA-N 0 3 279.771 3.510 20 10 CHCDHN CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1(C)C ZINC000766330173 1129604374 /nfs/dbraw/zinc/60/43/74/1129604374.db2.gz BQHTZCYBIHBTJN-IUIKQTSFSA-N 0 3 295.398 3.774 20 10 CHCDHN CC[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccccc1[O-] ZINC000720901145 1129718102 /nfs/dbraw/zinc/71/81/02/1129718102.db2.gz QENIAZNETBKIEI-LBPRGKRZSA-N 0 3 269.335 3.868 20 10 CHCDHN CC[N@H+](CCOC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768253193 1129846853 /nfs/dbraw/zinc/84/68/53/1129846853.db2.gz VYKNJQDCALZZDP-UHFFFAOYSA-N 0 3 285.387 3.528 20 10 CHCDHN CC[N@@H+](CCOC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768253193 1129846859 /nfs/dbraw/zinc/84/68/59/1129846859.db2.gz VYKNJQDCALZZDP-UHFFFAOYSA-N 0 3 285.387 3.528 20 10 CHCDHN CCOc1ccc(C[N@H+](Cc2ccco2)C(C)C)c([O-])c1 ZINC000768251118 1129847663 /nfs/dbraw/zinc/84/76/63/1129847663.db2.gz ZSILCASIYOYVHC-UHFFFAOYSA-N 0 3 289.375 3.795 20 10 CHCDHN CCOc1ccc(C[N@@H+](Cc2ccco2)C(C)C)c([O-])c1 ZINC000768251118 1129847669 /nfs/dbraw/zinc/84/76/69/1129847669.db2.gz ZSILCASIYOYVHC-UHFFFAOYSA-N 0 3 289.375 3.795 20 10 CHCDHN CCOc1cccc(CN2CCC[C@H]2c2ccccn2)c1O ZINC000768354141 1129853436 /nfs/dbraw/zinc/85/34/36/1129853436.db2.gz FPFHJKHWDUVJJZ-INIZCTEOSA-N 0 3 298.386 3.523 20 10 CHCDHN C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000382062163 1129854941 /nfs/dbraw/zinc/85/49/41/1129854941.db2.gz YGSKIYYXGBJKMU-BXUZGUMPSA-N 0 3 273.401 3.662 20 10 CHCDHN C[N@H+](CCSC1CCCCC1)Cc1ccccc1[O-] ZINC000800355622 1129868299 /nfs/dbraw/zinc/86/82/99/1129868299.db2.gz JKWXXFJIQXTCEZ-UHFFFAOYSA-N 0 3 279.449 3.890 20 10 CHCDHN C[N@@H+](CCSC1CCCCC1)Cc1ccccc1[O-] ZINC000800355622 1129868303 /nfs/dbraw/zinc/86/83/03/1129868303.db2.gz JKWXXFJIQXTCEZ-UHFFFAOYSA-N 0 3 279.449 3.890 20 10 CHCDHN Cc1cc2cc(NCc3ccc(O)c(O)c3)ccc2cn1 ZINC001169997285 1129877735 /nfs/dbraw/zinc/87/77/35/1129877735.db2.gz RDMGHGCUKFOBDX-UHFFFAOYSA-N 0 3 280.327 3.567 20 10 CHCDHN COc1cccc(CN2CC(C)(C)[C@@H]2c2ccccc2)c1O ZINC000769085598 1129890519 /nfs/dbraw/zinc/89/05/19/1129890519.db2.gz KPHJHUZPIPNBNV-SFHVURJKSA-N 0 3 297.398 3.984 20 10 CHCDHN COc1cccc(O)c1CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000769084665 1129890623 /nfs/dbraw/zinc/89/06/23/1129890623.db2.gz JNCUHEYEHGRQGF-GOSISDBHSA-N 0 3 297.398 3.984 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000769540459 1129913160 /nfs/dbraw/zinc/91/31/60/1129913160.db2.gz PZPBMULNHSFILF-LIRRHRJNSA-N 0 3 297.398 3.984 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC000769540459 1129913161 /nfs/dbraw/zinc/91/31/61/1129913161.db2.gz PZPBMULNHSFILF-LIRRHRJNSA-N 0 3 297.398 3.984 20 10 CHCDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000769540456 1129913350 /nfs/dbraw/zinc/91/33/50/1129913350.db2.gz PZPBMULNHSFILF-AUUYWEPGSA-N 0 3 297.398 3.984 20 10 CHCDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000769540456 1129913352 /nfs/dbraw/zinc/91/33/52/1129913352.db2.gz PZPBMULNHSFILF-AUUYWEPGSA-N 0 3 297.398 3.984 20 10 CHCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000770510090 1129947881 /nfs/dbraw/zinc/94/78/81/1129947881.db2.gz XHJMBYSYLJYJDF-KBMXLJTQSA-N 0 3 259.393 3.793 20 10 CHCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000770510090 1129947883 /nfs/dbraw/zinc/94/78/83/1129947883.db2.gz XHJMBYSYLJYJDF-KBMXLJTQSA-N 0 3 259.393 3.793 20 10 CHCDHN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1[O-] ZINC000770510857 1129948858 /nfs/dbraw/zinc/94/88/58/1129948858.db2.gz SIXBAWJQQHFQHH-XJKSGUPXSA-N 0 3 285.362 3.909 20 10 CHCDHN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccccc1[O-] ZINC000770510857 1129948859 /nfs/dbraw/zinc/94/88/59/1129948859.db2.gz SIXBAWJQQHFQHH-XJKSGUPXSA-N 0 3 285.362 3.909 20 10 CHCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000770511021 1129949102 /nfs/dbraw/zinc/94/91/02/1129949102.db2.gz VRSQMNOOIDXNTM-CYBMUJFWSA-N 0 3 271.335 3.521 20 10 CHCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000770511021 1129949105 /nfs/dbraw/zinc/94/91/05/1129949105.db2.gz VRSQMNOOIDXNTM-CYBMUJFWSA-N 0 3 271.335 3.521 20 10 CHCDHN C[N@H+](CCCCc1ccccc1)Cc1ccccc1[O-] ZINC000770509818 1129949165 /nfs/dbraw/zinc/94/91/65/1129949165.db2.gz UHWQUPUFLDNSAZ-UHFFFAOYSA-N 0 3 269.388 3.847 20 10 CHCDHN C[N@@H+](CCCCc1ccccc1)Cc1ccccc1[O-] ZINC000770509818 1129949168 /nfs/dbraw/zinc/94/91/68/1129949168.db2.gz UHWQUPUFLDNSAZ-UHFFFAOYSA-N 0 3 269.388 3.847 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000770739527 1129957611 /nfs/dbraw/zinc/95/76/11/1129957611.db2.gz CRSQIHHETOSGGZ-RDJZCZTQSA-N 0 3 267.372 3.818 20 10 CHCDHN CCN(CC)c1ccc(CNCc2ccccc2NC)cc1 ZINC000902077516 1129977548 /nfs/dbraw/zinc/97/75/48/1129977548.db2.gz YWDLEQOIVRQMQX-UHFFFAOYSA-N 0 3 297.446 3.864 20 10 CHCDHN C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000802309030 1129991344 /nfs/dbraw/zinc/99/13/44/1129991344.db2.gz MSTRTMKDKNWWCP-CRWXNKLISA-N 0 3 295.398 3.776 20 10 CHCDHN C[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCCOC1 ZINC000771896845 1129995709 /nfs/dbraw/zinc/99/57/09/1129995709.db2.gz RJTCENWZPWICJX-LJQANCHMSA-N 0 3 297.398 3.718 20 10 CHCDHN CCOc1ccc(O)c(CN2CC[C@H]2c2ccccc2)c1 ZINC000771941322 1129997598 /nfs/dbraw/zinc/99/75/98/1129997598.db2.gz ZYVHFBMNQWYDBO-KRWDZBQOSA-N 0 3 283.371 3.738 20 10 CHCDHN CCCC[N@@H+](Cc1ccccc1[O-])Cc1cccnc1C ZINC000802657825 1130027620 /nfs/dbraw/zinc/02/76/20/1130027620.db2.gz VGEYXORTAXWTCZ-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN CCCC[N@H+](Cc1ccccc1[O-])Cc1cccnc1C ZINC000802657825 1130027623 /nfs/dbraw/zinc/02/76/23/1130027623.db2.gz VGEYXORTAXWTCZ-UHFFFAOYSA-N 0 3 284.403 3.898 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000903266261 1130140215 /nfs/dbraw/zinc/14/02/15/1130140215.db2.gz XAVNXEZXDKQOSR-JYJNAYRXSA-N 0 3 291.435 3.601 20 10 CHCDHN C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccccc1[O-] ZINC000903285404 1130146564 /nfs/dbraw/zinc/14/65/64/1130146564.db2.gz ZILPDGBUEHMVCV-RYUDHWBXSA-N 0 3 265.422 3.717 20 10 CHCDHN COc1cccc([C@@H](C)N[C@@H](c2ccccn2)C2CC2)c1O ZINC000903335283 1130160555 /nfs/dbraw/zinc/16/05/55/1130160555.db2.gz NJLGPUAOJORIRM-SJKOYZFVSA-N 0 3 298.386 3.598 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](c1ccccn1)C1CC1)CC2 ZINC000903336505 1130161826 /nfs/dbraw/zinc/16/18/26/1130161826.db2.gz ZOBFKWQQPDZTQY-KDOFPFPSSA-N 0 3 280.371 3.515 20 10 CHCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c([O-])c1 ZINC000788611366 1130195342 /nfs/dbraw/zinc/19/53/42/1130195342.db2.gz NAPGUYPMMZKJDE-CVEARBPZSA-N 0 3 293.451 3.704 20 10 CHCDHN CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000903948955 1130211620 /nfs/dbraw/zinc/21/16/20/1130211620.db2.gz WMCKAAKZUXLUGT-MRXNPFEDSA-N 0 3 286.350 3.566 20 10 CHCDHN CC1CC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000747100818 1130516816 /nfs/dbraw/zinc/51/68/16/1130516816.db2.gz VXEDKZUVQWBHEA-UHFFFAOYSA-N 0 3 267.372 3.947 20 10 CHCDHN Cc1ccc([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)c(C)c1 ZINC000793232088 1130532737 /nfs/dbraw/zinc/53/27/37/1130532737.db2.gz IMHCFRGJINGAGF-INIZCTEOSA-N 0 3 281.399 3.999 20 10 CHCDHN Cc1ccc([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)c(C)c1 ZINC000793232088 1130532741 /nfs/dbraw/zinc/53/27/41/1130532741.db2.gz IMHCFRGJINGAGF-INIZCTEOSA-N 0 3 281.399 3.999 20 10 CHCDHN Cc1ccc([O-])c(C[N@H+](CC2CC2)CC2CCC2)c1 ZINC000793390292 1130551568 /nfs/dbraw/zinc/55/15/68/1130551568.db2.gz NVRWCGDFWIYCTC-UHFFFAOYSA-N 0 3 259.393 3.713 20 10 CHCDHN Cc1ccc([O-])c(C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000793390292 1130551574 /nfs/dbraw/zinc/55/15/74/1130551574.db2.gz NVRWCGDFWIYCTC-UHFFFAOYSA-N 0 3 259.393 3.713 20 10 CHCDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000793527193 1130563234 /nfs/dbraw/zinc/56/32/34/1130563234.db2.gz ONKSATVOXKOEGZ-FSPWUOQZSA-N 0 3 297.398 3.683 20 10 CHCDHN CN(C)c1ccc(CN[C@H](c2cccnc2)C2CC2)cc1F ZINC000758633871 1130620184 /nfs/dbraw/zinc/62/01/84/1130620184.db2.gz ZBOASKCKNKILOJ-SFHVURJKSA-N 0 3 299.393 3.528 20 10 CHCDHN COc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1C ZINC000758624089 1130620212 /nfs/dbraw/zinc/62/02/12/1130620212.db2.gz NEYKGBWRLFKUGL-GOSISDBHSA-N 0 3 282.387 3.640 20 10 CHCDHN CCC[N@H+](CCc1ccncc1C)Cc1ccccc1[O-] ZINC000827959379 1130680643 /nfs/dbraw/zinc/68/06/43/1130680643.db2.gz SRRJIDFRUJVZER-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN CCC[N@@H+](CCc1ccncc1C)Cc1ccccc1[O-] ZINC000827959379 1130680646 /nfs/dbraw/zinc/68/06/46/1130680646.db2.gz SRRJIDFRUJVZER-UHFFFAOYSA-N 0 3 284.403 3.550 20 10 CHCDHN CCC[N@H+](CCC(=O)CC(C)C)Cc1ccccc1[O-] ZINC000827959079 1130684668 /nfs/dbraw/zinc/68/46/68/1130684668.db2.gz KKUIPZPGPWCENT-UHFFFAOYSA-N 0 3 277.408 3.610 20 10 CHCDHN CCC[N@@H+](CCC(=O)CC(C)C)Cc1ccccc1[O-] ZINC000827959079 1130684672 /nfs/dbraw/zinc/68/46/72/1130684672.db2.gz KKUIPZPGPWCENT-UHFFFAOYSA-N 0 3 277.408 3.610 20 10 CHCDHN [O-]c1c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cccc1-c1ccccc1 ZINC001234999715 1130699853 /nfs/dbraw/zinc/69/98/53/1130699853.db2.gz YAVXDNORJUSSKT-NNZMDNLPSA-N 0 3 297.373 3.707 20 10 CHCDHN [O-]c1c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cccc1-c1ccccc1 ZINC001234999715 1130699854 /nfs/dbraw/zinc/69/98/54/1130699854.db2.gz YAVXDNORJUSSKT-NNZMDNLPSA-N 0 3 297.373 3.707 20 10 CHCDHN CC[N@H+](CCOC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234992921 1130700537 /nfs/dbraw/zinc/70/05/37/1130700537.db2.gz TVFPSVSFHIHMDK-UHFFFAOYSA-N 0 3 285.387 3.528 20 10 CHCDHN CC[N@@H+](CCOC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234992921 1130700540 /nfs/dbraw/zinc/70/05/40/1130700540.db2.gz TVFPSVSFHIHMDK-UHFFFAOYSA-N 0 3 285.387 3.528 20 10 CHCDHN CC1CC([N@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235675900 1130765451 /nfs/dbraw/zinc/76/54/51/1130765451.db2.gz LSOSCGXFBOGVLT-UHFFFAOYSA-N 0 3 261.409 3.920 20 10 CHCDHN CC1CC([N@@H+](C)Cc2ccc(C(C)(C)C)cc2[O-])C1 ZINC001235675900 1130765453 /nfs/dbraw/zinc/76/54/53/1130765453.db2.gz LSOSCGXFBOGVLT-UHFFFAOYSA-N 0 3 261.409 3.920 20 10 CHCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@@H](C)C1 ZINC001235682438 1130767348 /nfs/dbraw/zinc/76/73/48/1130767348.db2.gz WTYZOFLAIUAOEV-XJKSGUPXSA-N 0 3 291.435 3.689 20 10 CHCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])[C@@H](C)C1 ZINC001235682438 1130767351 /nfs/dbraw/zinc/76/73/51/1130767351.db2.gz WTYZOFLAIUAOEV-XJKSGUPXSA-N 0 3 291.435 3.689 20 10 CHCDHN COCC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C(C)C ZINC001235681683 1130768526 /nfs/dbraw/zinc/76/85/26/1130768526.db2.gz CFYDLQCZMHHEIH-UHFFFAOYSA-N 0 3 279.424 3.547 20 10 CHCDHN COCC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C(C)C ZINC001235681683 1130768529 /nfs/dbraw/zinc/76/85/29/1130768529.db2.gz CFYDLQCZMHHEIH-UHFFFAOYSA-N 0 3 279.424 3.547 20 10 CHCDHN Nc1ccc(CN2CCC[C@@H]2c2ccccc2F)cc1 ZINC001235718159 1130772841 /nfs/dbraw/zinc/77/28/41/1130772841.db2.gz FIXXJCHLMKPYNC-QGZVFWFLSA-N 0 3 270.351 3.745 20 10 CHCDHN Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000813882617 1130793962 /nfs/dbraw/zinc/79/39/62/1130793962.db2.gz FILWEPABUYIDMC-CMPLNLGQSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccoc1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000813882617 1130793968 /nfs/dbraw/zinc/79/39/68/1130793968.db2.gz FILWEPABUYIDMC-CMPLNLGQSA-N 0 3 275.323 3.771 20 10 CHCDHN Cc1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])c(C)c1 ZINC000783505394 1130830853 /nfs/dbraw/zinc/83/08/53/1130830853.db2.gz VTYIMXJVWFWWQE-OAHLLOKOSA-N 0 3 269.388 3.902 20 10 CHCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])c1cccc(F)c1 ZINC000783500446 1130831569 /nfs/dbraw/zinc/83/15/69/1130831569.db2.gz GQXDJWKGXBCCNN-OLZOCXBDSA-N 0 3 273.351 3.986 20 10 CHCDHN C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1ccccc1[O-] ZINC000783516092 1130832580 /nfs/dbraw/zinc/83/25/80/1130832580.db2.gz AXMLVLCJUQBXJM-LXZKKBNFSA-N 0 3 267.372 3.674 20 10 CHCDHN C[C@H]1COc2ccccc2CN1Cc1ccc(N(C)C)cc1 ZINC000783598517 1130842014 /nfs/dbraw/zinc/84/20/14/1130842014.db2.gz VJFDPIINCGYLKE-HNNXBMFYSA-N 0 3 296.414 3.536 20 10 CHCDHN CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1[O-] ZINC000783741548 1130852919 /nfs/dbraw/zinc/85/29/19/1130852919.db2.gz RFQJYXFMWOAXQL-NSHDSACASA-N 0 3 279.277 3.598 20 10 CHCDHN Cc1cc(CN2CCC[C@@H]2c2ccccn2)ccc1N(C)C ZINC000815060790 1130954566 /nfs/dbraw/zinc/95/45/66/1130954566.db2.gz SMUVVXFNEHDHLG-LJQANCHMSA-N 0 3 295.430 3.793 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(C)cc1[O-] ZINC000797058264 1130957460 /nfs/dbraw/zinc/95/74/60/1130957460.db2.gz RIKIYAJVMUBZDX-MRXNPFEDSA-N 0 3 295.386 3.589 20 10 CHCDHN CC1=C[C@@H](C)C[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000797416517 1130986299 /nfs/dbraw/zinc/98/62/99/1130986299.db2.gz ITQOSXZHHZFDLZ-CYBMUJFWSA-N 0 3 267.372 3.943 20 10 CHCDHN CC1=C[C@@H](C)C[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000797416517 1130986305 /nfs/dbraw/zinc/98/63/05/1130986305.db2.gz ITQOSXZHHZFDLZ-CYBMUJFWSA-N 0 3 267.372 3.943 20 10 CHCDHN COCCC1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCC1 ZINC000815589258 1131004932 /nfs/dbraw/zinc/00/49/32/1131004932.db2.gz NHHUFTGDZPVUMF-HNNXBMFYSA-N 0 3 291.435 3.866 20 10 CHCDHN COC1CCC(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815586751 1131005053 /nfs/dbraw/zinc/00/50/53/1131005053.db2.gz PZTXRNAKOODJPN-FHERZECASA-N 0 3 291.435 3.865 20 10 CHCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(C3CC3)CC2)c([O-])c1 ZINC000815597845 1131006408 /nfs/dbraw/zinc/00/64/08/1131006408.db2.gz HMJZKENVGYNBLZ-ZDUSSCGKSA-N 0 3 259.393 3.850 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2ccccc2F)c([O-])c1 ZINC001236788604 1131007275 /nfs/dbraw/zinc/00/72/75/1131007275.db2.gz PTEPMJOAYUQDLJ-UHFFFAOYSA-N 0 3 287.378 3.768 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2ccccc2F)c([O-])c1 ZINC001236788604 1131007278 /nfs/dbraw/zinc/00/72/78/1131007278.db2.gz PTEPMJOAYUQDLJ-UHFFFAOYSA-N 0 3 287.378 3.768 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2cccc(F)c2)c([O-])c1 ZINC001236787295 1131007482 /nfs/dbraw/zinc/00/74/82/1131007482.db2.gz HZWNEZOLGSBHQP-UHFFFAOYSA-N 0 3 287.378 3.768 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2cccc(F)c2)c([O-])c1 ZINC001236787295 1131007488 /nfs/dbraw/zinc/00/74/88/1131007488.db2.gz HZWNEZOLGSBHQP-UHFFFAOYSA-N 0 3 287.378 3.768 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001236791078 1131007750 /nfs/dbraw/zinc/00/77/50/1131007750.db2.gz CWHLORMSMBBBGW-GOSISDBHSA-N 0 3 296.414 3.557 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001236791078 1131007754 /nfs/dbraw/zinc/00/77/54/1131007754.db2.gz CWHLORMSMBBBGW-GOSISDBHSA-N 0 3 296.414 3.557 20 10 CHCDHN CCc1ccc(C[N@H+](C)CCc2ccc(C)cc2)c([O-])c1 ZINC001236794279 1131008326 /nfs/dbraw/zinc/00/83/26/1131008326.db2.gz KLKVUZUIKQQKMF-UHFFFAOYSA-N 0 3 283.415 3.938 20 10 CHCDHN CCc1ccc(C[N@@H+](C)CCc2ccc(C)cc2)c([O-])c1 ZINC001236794279 1131008332 /nfs/dbraw/zinc/00/83/32/1131008332.db2.gz KLKVUZUIKQQKMF-UHFFFAOYSA-N 0 3 283.415 3.938 20 10 CHCDHN CCc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001236793983 1131008831 /nfs/dbraw/zinc/00/88/31/1131008831.db2.gz IQOZXSVVBPHDLR-CVEARBPZSA-N 0 3 273.420 3.967 20 10 CHCDHN CCc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001236793983 1131008835 /nfs/dbraw/zinc/00/88/35/1131008835.db2.gz IQOZXSVVBPHDLR-CVEARBPZSA-N 0 3 273.420 3.967 20 10 CHCDHN CCc1ccc(CN(C)Cc2ccc(Cl)nc2)c(O)c1 ZINC001236791557 1131009052 /nfs/dbraw/zinc/00/90/52/1131009052.db2.gz ISJJSBPXTJPMMQ-UHFFFAOYSA-N 0 3 290.794 3.635 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001236794771 1131009895 /nfs/dbraw/zinc/00/98/95/1131009895.db2.gz OIFUUZDKKMOROW-INIZCTEOSA-N 0 3 296.414 3.729 20 10 CHCDHN CCc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c([O-])c1 ZINC001236794771 1131009900 /nfs/dbraw/zinc/00/99/00/1131009900.db2.gz OIFUUZDKKMOROW-INIZCTEOSA-N 0 3 296.414 3.729 20 10 CHCDHN CC[N@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1[O-] ZINC001236818301 1131013954 /nfs/dbraw/zinc/01/39/54/1131013954.db2.gz LPGUUDAIWIPUBE-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[N@@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1[O-] ZINC001236818301 1131013959 /nfs/dbraw/zinc/01/39/59/1131013959.db2.gz LPGUUDAIWIPUBE-UHFFFAOYSA-N 0 3 285.387 3.731 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(C)cc1[O-] ZINC000815642825 1131014646 /nfs/dbraw/zinc/01/46/46/1131014646.db2.gz MXAVUIAAAIAZPP-WFASDCNBSA-N 0 3 286.375 3.603 20 10 CHCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H](C)F)c1[O-] ZINC000815645453 1131014807 /nfs/dbraw/zinc/01/48/07/1131014807.db2.gz FYWUYUWNKMITBP-ZJUUUORDSA-N 0 3 259.752 3.753 20 10 CHCDHN CC1(F)CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236827196 1131016970 /nfs/dbraw/zinc/01/69/70/1131016970.db2.gz QYXFLMMKEXDGDX-UHFFFAOYSA-N 0 3 273.351 3.869 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001236825706 1131017021 /nfs/dbraw/zinc/01/70/21/1131017021.db2.gz CRTBWMKXSKTFCU-INIZCTEOSA-N 0 3 273.351 3.869 20 10 CHCDHN [O-]c1cc2ccccc2cc1C[N@H+]1CCCC[C@H](F)C1 ZINC001236825706 1131017027 /nfs/dbraw/zinc/01/70/27/1131017027.db2.gz CRTBWMKXSKTFCU-INIZCTEOSA-N 0 3 273.351 3.869 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@](C)(CF)C2)c([O-])c1 ZINC001237046654 1131039973 /nfs/dbraw/zinc/03/99/73/1131039973.db2.gz UWOCAHWFLVNMMI-MRXNPFEDSA-N 0 3 265.372 3.697 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@](C)(CF)C2)c([O-])c1 ZINC001237046654 1131039978 /nfs/dbraw/zinc/03/99/78/1131039978.db2.gz UWOCAHWFLVNMMI-MRXNPFEDSA-N 0 3 265.372 3.697 20 10 CHCDHN CC(C)c1ccc(C[NH+]2CCC(CF)CC2)c([O-])c1 ZINC001237048144 1131040245 /nfs/dbraw/zinc/04/02/45/1131040245.db2.gz DKLASTYAPPGPGP-UHFFFAOYSA-N 0 3 265.372 3.697 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CCCOC(C)(C)C2)c([O-])c1 ZINC001237049496 1131040857 /nfs/dbraw/zinc/04/08/57/1131040857.db2.gz PZTXEDZTVGXLET-UHFFFAOYSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CCCOC(C)(C)C2)c([O-])c1 ZINC001237049496 1131040861 /nfs/dbraw/zinc/04/08/61/1131040861.db2.gz PZTXEDZTVGXLET-UHFFFAOYSA-N 0 3 277.408 3.517 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001237048836 1131041825 /nfs/dbraw/zinc/04/18/25/1131041825.db2.gz JDAAROFYTNYKOJ-CYBMUJFWSA-N 0 3 287.325 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC001237048836 1131041819 /nfs/dbraw/zinc/04/18/19/1131041819.db2.gz JDAAROFYTNYKOJ-CYBMUJFWSA-N 0 3 287.325 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001237048840 1131041897 /nfs/dbraw/zinc/04/18/97/1131041897.db2.gz JDAAROFYTNYKOJ-ZDUSSCGKSA-N 0 3 287.325 3.900 20 10 CHCDHN CC(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC001237048840 1131041902 /nfs/dbraw/zinc/04/19/02/1131041902.db2.gz JDAAROFYTNYKOJ-ZDUSSCGKSA-N 0 3 287.325 3.900 20 10 CHCDHN C[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C(C)(C)C ZINC001237054882 1131042612 /nfs/dbraw/zinc/04/26/12/1131042612.db2.gz HMVOALNLGDUFQQ-UHFFFAOYSA-N 0 3 291.313 3.564 20 10 CHCDHN COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237054434 1131043332 /nfs/dbraw/zinc/04/33/32/1131043332.db2.gz XYGPOBRAHPQGGU-KRWDZBQOSA-N 0 3 291.435 3.907 20 10 CHCDHN COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)C)cc1[O-] ZINC001237054434 1131043336 /nfs/dbraw/zinc/04/33/36/1131043336.db2.gz XYGPOBRAHPQGGU-KRWDZBQOSA-N 0 3 291.435 3.907 20 10 CHCDHN CC[C@@H](C)[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237115046 1131052706 /nfs/dbraw/zinc/05/27/06/1131052706.db2.gz DTEDDFPNHGVMJN-SECBINFHSA-N 0 3 277.286 3.521 20 10 CHCDHN CC[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237115046 1131052710 /nfs/dbraw/zinc/05/27/10/1131052710.db2.gz DTEDDFPNHGVMJN-SECBINFHSA-N 0 3 277.286 3.521 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001237138093 1131054566 /nfs/dbraw/zinc/05/45/66/1131054566.db2.gz TXOZFKRTKJMNTA-GFCCVEGCSA-N 0 3 291.288 3.735 20 10 CHCDHN [O-]c1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001237138093 1131054568 /nfs/dbraw/zinc/05/45/68/1131054568.db2.gz TXOZFKRTKJMNTA-GFCCVEGCSA-N 0 3 291.288 3.735 20 10 CHCDHN CCc1cccc(C)c1C[N@H+](C)Cc1ccccc1[O-] ZINC001237330401 1131085576 /nfs/dbraw/zinc/08/55/76/1131085576.db2.gz QUTFYZJRWNZWPZ-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN CCc1cccc(C)c1C[N@@H+](C)Cc1ccccc1[O-] ZINC001237330401 1131085581 /nfs/dbraw/zinc/08/55/81/1131085581.db2.gz QUTFYZJRWNZWPZ-UHFFFAOYSA-N 0 3 269.388 3.895 20 10 CHCDHN Cc1cccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])n1 ZINC000816514751 1131104259 /nfs/dbraw/zinc/10/42/59/1131104259.db2.gz GRFQRUVDNJSVDS-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN Cc1cccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])n1 ZINC000816514751 1131104262 /nfs/dbraw/zinc/10/42/62/1131104262.db2.gz GRFQRUVDNJSVDS-UHFFFAOYSA-N 0 3 292.382 3.881 20 10 CHCDHN COc1cccc([C@H]2CC[N@H+](Cc3c(C)cccc3[O-])C2)c1 ZINC001237490802 1131104346 /nfs/dbraw/zinc/10/43/46/1131104346.db2.gz BKUSCABGFWOIDS-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN COc1cccc([C@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C2)c1 ZINC001237490802 1131104348 /nfs/dbraw/zinc/10/43/48/1131104348.db2.gz BKUSCABGFWOIDS-INIZCTEOSA-N 0 3 297.398 3.699 20 10 CHCDHN CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000799728928 1131106110 /nfs/dbraw/zinc/10/61/10/1131106110.db2.gz GOWSUFYEIJDJSZ-HTUGSXCWSA-N 0 3 293.382 3.627 20 10 CHCDHN Cc1cccc([O-])c1C[N@H+](C)CCc1ccccc1F ZINC001237496504 1131106145 /nfs/dbraw/zinc/10/61/45/1131106145.db2.gz YVKGOXTXBLAQDQ-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN Cc1cccc([O-])c1C[N@@H+](C)CCc1ccccc1F ZINC001237496504 1131106147 /nfs/dbraw/zinc/10/61/47/1131106147.db2.gz YVKGOXTXBLAQDQ-UHFFFAOYSA-N 0 3 273.351 3.514 20 10 CHCDHN COc1cc(Cl)cc(C[NH2+]C2CC(C(C)(C)C)C2)c1[O-] ZINC000816641798 1131117701 /nfs/dbraw/zinc/11/77/01/1131117701.db2.gz GUTXBCCEROECSH-UHFFFAOYSA-N 0 3 297.826 3.969 20 10 CHCDHN C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1C ZINC000816648269 1131119265 /nfs/dbraw/zinc/11/92/65/1131119265.db2.gz HZDLMLRHTGBFIL-CABCVRRESA-N 0 3 297.398 3.811 20 10 CHCDHN C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])[C@H]1C ZINC000816648269 1131119268 /nfs/dbraw/zinc/11/92/68/1131119268.db2.gz HZDLMLRHTGBFIL-CABCVRRESA-N 0 3 297.398 3.811 20 10 CHCDHN Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[C@@H](F)C1 ZINC001237641599 1131123194 /nfs/dbraw/zinc/12/31/94/1131123194.db2.gz UMHBLRKTGVSBQW-MRXNPFEDSA-N 0 3 289.325 3.742 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)C2CC(C)C2)c1[O-] ZINC001237681394 1131126454 /nfs/dbraw/zinc/12/64/54/1131126454.db2.gz OWTUIXCJLSAXDU-UHFFFAOYSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)C2CC(C)C2)c1[O-] ZINC001237681394 1131126458 /nfs/dbraw/zinc/12/64/58/1131126458.db2.gz OWTUIXCJLSAXDU-UHFFFAOYSA-N 0 3 253.773 3.584 20 10 CHCDHN Cc1cc([O-])c(C[N@H+](C)CC2CCC2)cc1Br ZINC001237679671 1131127047 /nfs/dbraw/zinc/12/70/47/1131127047.db2.gz UDXDJMIAXQMLPS-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc([O-])c(C[N@@H+](C)CC2CCC2)cc1Br ZINC001237679671 1131127049 /nfs/dbraw/zinc/12/70/49/1131127049.db2.gz UDXDJMIAXQMLPS-UHFFFAOYSA-N 0 3 298.224 3.695 20 10 CHCDHN Cc1cc(Cl)cc(C[N@@H+](C)C2CC(F)(F)C2)c1[O-] ZINC001237681030 1131127307 /nfs/dbraw/zinc/12/73/07/1131127307.db2.gz KJOKTTWCFOGMOJ-UHFFFAOYSA-N 0 3 275.726 3.584 20 10 CHCDHN Cc1cc(Cl)cc(C[N@H+](C)C2CC(F)(F)C2)c1[O-] ZINC001237681030 1131127308 /nfs/dbraw/zinc/12/73/08/1131127308.db2.gz KJOKTTWCFOGMOJ-UHFFFAOYSA-N 0 3 275.726 3.584 20 10 CHCDHN Cc1cc(Cl)cc(CN(C)C2CC(F)(F)C2)c1O ZINC001237681030 1131127309 /nfs/dbraw/zinc/12/73/09/1131127309.db2.gz KJOKTTWCFOGMOJ-UHFFFAOYSA-N 0 3 275.726 3.584 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@](C)(F)CC2)c1[O-] ZINC001238058201 1131165289 /nfs/dbraw/zinc/16/52/89/1131165289.db2.gz PHDSAZZHLTUDGB-HNNXBMFYSA-N 0 3 269.335 3.554 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@](C)(F)CC2)c1[O-] ZINC001238058201 1131165292 /nfs/dbraw/zinc/16/52/92/1131165292.db2.gz PHDSAZZHLTUDGB-HNNXBMFYSA-N 0 3 269.335 3.554 20 10 CHCDHN Cc1ccc(CC[N@@H+](C)Cc2cc(F)cc(C)c2[O-])cc1 ZINC001238060674 1131166535 /nfs/dbraw/zinc/16/65/35/1131166535.db2.gz DZHYSCVCCOLIMH-UHFFFAOYSA-N 0 3 287.378 3.823 20 10 CHCDHN Cc1ccc(CC[N@H+](C)Cc2cc(F)cc(C)c2[O-])cc1 ZINC001238060674 1131166536 /nfs/dbraw/zinc/16/65/36/1131166536.db2.gz DZHYSCVCCOLIMH-UHFFFAOYSA-N 0 3 287.378 3.823 20 10 CHCDHN Cc1cc(F)cc(CN2CCC[C@@H](C(F)(F)F)C2)c1O ZINC001238063579 1131167124 /nfs/dbraw/zinc/16/71/24/1131167124.db2.gz YZNKUNZIBIYURX-LLVKDONJSA-N 0 3 291.288 3.614 20 10 CHCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC001238065825 1131167133 /nfs/dbraw/zinc/16/71/33/1131167133.db2.gz BJUHSKKXESYRQB-WFASDCNBSA-N 0 3 263.356 3.604 20 10 CHCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC001238065825 1131167135 /nfs/dbraw/zinc/16/71/35/1131167135.db2.gz BJUHSKKXESYRQB-WFASDCNBSA-N 0 3 263.356 3.604 20 10 CHCDHN CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1ccc(C)cc1[O-] ZINC000817588726 1131173709 /nfs/dbraw/zinc/17/37/09/1131173709.db2.gz JIXDOFBSKSFMGB-KRWDZBQOSA-N 0 3 284.403 3.953 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CCSCC3)c([O-])c1 ZINC000817589591 1131175369 /nfs/dbraw/zinc/17/53/69/1131175369.db2.gz OQAKKOIVPSPAOI-ZIAGYGMSSA-N 0 3 291.460 3.885 20 10 CHCDHN F[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001117948711 1131205672 /nfs/dbraw/zinc/20/56/72/1131205672.db2.gz YTTURWGDQRJJDO-IAGOWNOFSA-N 0 3 276.399 3.657 20 10 CHCDHN CS[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824683232 1131479827 /nfs/dbraw/zinc/47/98/27/1131479827.db2.gz ANOWTNCDGUGOPK-QGZVFWFLSA-N 0 3 299.439 3.997 20 10 CHCDHN CS[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000824683232 1131479829 /nfs/dbraw/zinc/47/98/29/1131479829.db2.gz ANOWTNCDGUGOPK-QGZVFWFLSA-N 0 3 299.439 3.997 20 10 CHCDHN CCN(Cc1c2ccccc2n(C)c1C)Cc1ccncc1 ZINC001138252983 1131482116 /nfs/dbraw/zinc/48/21/16/1131482116.db2.gz YSUYJVSACATPHQ-UHFFFAOYSA-N 0 3 293.414 3.904 20 10 CHCDHN Cc1c(CN2CCC[C@@](C)(F)C2)c2ccccc2n1C ZINC001138252929 1131482373 /nfs/dbraw/zinc/48/23/73/1131482373.db2.gz XRKOVIGDWLDLFS-QGZVFWFLSA-N 0 3 274.383 3.811 20 10 CHCDHN Cc1ccc2c(C[N@@H+](C)Cc3ccccc3[O-])c[nH]c2c1 ZINC001136976038 1131491718 /nfs/dbraw/zinc/49/17/18/1131491718.db2.gz WQCKDXHBGZROAX-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN Cc1ccc2c(C[N@H+](C)Cc3ccccc3[O-])c[nH]c2c1 ZINC001136976038 1131491720 /nfs/dbraw/zinc/49/17/20/1131491720.db2.gz WQCKDXHBGZROAX-UHFFFAOYSA-N 0 3 280.371 3.814 20 10 CHCDHN CN1CCCc2cc(CN3CCCC[C@](C)(F)C3)ccc21 ZINC001138354672 1131493598 /nfs/dbraw/zinc/49/35/98/1131493598.db2.gz POFCKUFIKLUOQS-SFHVURJKSA-N 0 3 290.426 3.783 20 10 CHCDHN CN(Cc1cccs1)Cc1ccc2c(c1)CCCN2C ZINC001138358591 1131494218 /nfs/dbraw/zinc/49/42/18/1131494218.db2.gz VSENGBIASJJKMV-UHFFFAOYSA-N 0 3 286.444 3.763 20 10 CHCDHN Cc1c(F)cc(F)cc1CN(C)Cc1ccccc1O ZINC001143767748 1131530506 /nfs/dbraw/zinc/53/05/06/1131530506.db2.gz KKBLQZOXEXTOCY-UHFFFAOYSA-N 0 3 277.314 3.611 20 10 CHCDHN CC(C)Oc1cccc(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001138985894 1131568421 /nfs/dbraw/zinc/56/84/21/1131568421.db2.gz PAEURCLYIWDNLX-UHFFFAOYSA-N 0 3 297.398 3.738 20 10 CHCDHN CC(C)Oc1cccc(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001138985894 1131568425 /nfs/dbraw/zinc/56/84/25/1131568425.db2.gz PAEURCLYIWDNLX-UHFFFAOYSA-N 0 3 297.398 3.738 20 10 CHCDHN C[N@H+](Cc1ccc2cccnc2c1)Cc1ccccc1[O-] ZINC001139170482 1131591099 /nfs/dbraw/zinc/59/10/99/1131591099.db2.gz FDAMXJKUDDLXSB-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN C[N@@H+](Cc1ccc2cccnc2c1)Cc1ccccc1[O-] ZINC001139170482 1131591102 /nfs/dbraw/zinc/59/11/02/1131591102.db2.gz FDAMXJKUDDLXSB-UHFFFAOYSA-N 0 3 278.355 3.572 20 10 CHCDHN CC[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(C)cc1[O-] ZINC000844921624 1131608087 /nfs/dbraw/zinc/60/80/87/1131608087.db2.gz QQXSGPPSTGKUPS-DOTOQJQBSA-N 0 3 296.414 3.778 20 10 CHCDHN CCc1cccc(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001144326601 1131618793 /nfs/dbraw/zinc/61/87/93/1131618793.db2.gz IKAKUSJTXYMAHH-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN CCc1cccc(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001144326601 1131618795 /nfs/dbraw/zinc/61/87/95/1131618795.db2.gz IKAKUSJTXYMAHH-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1C(F)F ZINC001139799992 1131637743 /nfs/dbraw/zinc/63/77/43/1131637743.db2.gz BTXUUQYIBORRCM-UHFFFAOYSA-N 0 3 277.314 3.962 20 10 CHCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1C(F)F ZINC001139799992 1131637745 /nfs/dbraw/zinc/63/77/45/1131637745.db2.gz BTXUUQYIBORRCM-UHFFFAOYSA-N 0 3 277.314 3.962 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])Cc1cncc2ccccc21 ZINC001139896837 1131649321 /nfs/dbraw/zinc/64/93/21/1131649321.db2.gz MTGYOVCFLVIEJF-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])Cc1cncc2ccccc21 ZINC001139896837 1131649323 /nfs/dbraw/zinc/64/93/23/1131649323.db2.gz MTGYOVCFLVIEJF-UHFFFAOYSA-N 0 3 292.382 3.963 20 10 CHCDHN C[N@H+](Cc1cc(F)ccc1[O-])Cc1cccc2cccnc21 ZINC001140055055 1131660228 /nfs/dbraw/zinc/66/02/28/1131660228.db2.gz GCZNBMZTDHLEKI-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])Cc1cccc2cccnc21 ZINC001140055055 1131660230 /nfs/dbraw/zinc/66/02/30/1131660230.db2.gz GCZNBMZTDHLEKI-UHFFFAOYSA-N 0 3 296.345 3.712 20 10 CHCDHN CCC[N@H+](Cc1cc2cnccc2o1)Cc1ccccc1[O-] ZINC000845906452 1131668934 /nfs/dbraw/zinc/66/89/34/1131668934.db2.gz LIIXVOAEAGVXEV-UHFFFAOYSA-N 0 3 296.370 3.946 20 10 CHCDHN CCC[N@@H+](Cc1cc2cnccc2o1)Cc1ccccc1[O-] ZINC000845906452 1131668936 /nfs/dbraw/zinc/66/89/36/1131668936.db2.gz LIIXVOAEAGVXEV-UHFFFAOYSA-N 0 3 296.370 3.946 20 10 CHCDHN Cc1ccc(C)c(CN2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001140178643 1131673502 /nfs/dbraw/zinc/67/35/02/1131673502.db2.gz RZICUHXCAKRQGA-ZDUSSCGKSA-N 0 3 287.325 3.578 20 10 CHCDHN CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000834581915 1131684811 /nfs/dbraw/zinc/68/48/11/1131684811.db2.gz QYKSPHGAFFMKNU-SWLSCSKDSA-N 0 3 285.391 3.508 20 10 CHCDHN CN(C)c1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1F ZINC000846107850 1131686320 /nfs/dbraw/zinc/68/63/20/1131686320.db2.gz LCPGCYMOBHORKH-HNNXBMFYSA-N 0 3 298.352 3.513 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846110830 1131687260 /nfs/dbraw/zinc/68/72/60/1131687260.db2.gz OLWAGNULIMAAFN-JTQLQIEISA-N 0 3 292.181 3.595 20 10 CHCDHN COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834625161 1131688332 /nfs/dbraw/zinc/68/83/32/1131688332.db2.gz UUPOPYUCSXIRLM-JKSUJKDBSA-N 0 3 295.382 3.665 20 10 CHCDHN CCOc1cccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834688673 1131694625 /nfs/dbraw/zinc/69/46/25/1131694625.db2.gz DBAQGLYQCYMPTJ-QGZVFWFLSA-N 0 3 297.398 3.611 20 10 CHCDHN CCc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000846209733 1131695635 /nfs/dbraw/zinc/69/56/35/1131695635.db2.gz TWAGBOYAPHQOMY-MRXNPFEDSA-N 0 3 267.372 3.732 20 10 CHCDHN CC[C@@H]([NH2+][C@H](C)COCC1CC1)c1ccc(C)cc1[O-] ZINC000846206214 1131695969 /nfs/dbraw/zinc/69/59/69/1131695969.db2.gz XPYFCHSLIYCXFD-CZUORRHYSA-N 0 3 277.408 3.556 20 10 CHCDHN CC[C@@H]([NH2+]CC1(OC)CCCC1)c1ccc(C)cc1[O-] ZINC000834815408 1131707333 /nfs/dbraw/zinc/70/73/33/1131707333.db2.gz VKIRDWTXJMTNHA-OAHLLOKOSA-N 0 3 277.408 3.701 20 10 CHCDHN CO[C@@](C)(C[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000834885985 1131718515 /nfs/dbraw/zinc/71/85/15/1131718515.db2.gz ZCRXIGBQSLMVPI-LPHOPBHVSA-N 0 3 297.398 3.531 20 10 CHCDHN CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(C)cc1[O-] ZINC000834884960 1131718705 /nfs/dbraw/zinc/71/87/05/1131718705.db2.gz FMLIJMHOIMVNCE-OAHLLOKOSA-N 0 3 295.398 3.508 20 10 CHCDHN Cc1ccc(F)c(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000834895105 1131721962 /nfs/dbraw/zinc/72/19/62/1131721962.db2.gz YTLZAAMYDYKEBU-MRXNPFEDSA-N 0 3 285.362 3.659 20 10 CHCDHN [O-]c1cccc2c1[C@H]([NH2+]C1(Cc3ccc(F)cc3)CC1)CC2 ZINC000834897889 1131722761 /nfs/dbraw/zinc/72/27/61/1131722761.db2.gz WSMGSRGHERWYII-MRXNPFEDSA-N 0 3 297.373 3.884 20 10 CHCDHN C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)c1ccccc1[O-] ZINC000834897896 1131723443 /nfs/dbraw/zinc/72/34/43/1131723443.db2.gz WVPOGGLXDXPLOD-ZDUSSCGKSA-N 0 3 285.362 3.957 20 10 CHCDHN CC[C@@H]([NH2+]Cc1cnc(C)cc1C)c1ccc(C)cc1[O-] ZINC000834902105 1131726711 /nfs/dbraw/zinc/72/67/11/1131726711.db2.gz DURSLBFCLLBMMD-QGZVFWFLSA-N 0 3 284.403 3.953 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)c1 ZINC000834905377 1131728558 /nfs/dbraw/zinc/72/85/58/1131728558.db2.gz GMXOPNUTQDVCJO-CQSZACIVSA-N 0 3 291.435 3.683 20 10 CHCDHN CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000834910619 1131729909 /nfs/dbraw/zinc/72/99/09/1131729909.db2.gz FIVYMZSMPWHUEC-DJSGYFEHSA-N 0 3 281.371 3.530 20 10 CHCDHN CN(C)c1ccc(/C=C\CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000835025438 1131759431 /nfs/dbraw/zinc/75/94/31/1131759431.db2.gz VJSMIJQBRIRMEH-UTSMFGRCSA-N 0 3 295.430 3.931 20 10 CHCDHN C[C@@H](c1cccnc1)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835048546 1131765428 /nfs/dbraw/zinc/76/54/28/1131765428.db2.gz UJMVUKKRJVRYRS-WLMCBFPDSA-N 0 3 295.430 3.854 20 10 CHCDHN Cc1ccc(C[NH2+]Cc2cccc(C(F)F)c2)c([O-])c1 ZINC001330639996 1131774779 /nfs/dbraw/zinc/77/47/79/1131774779.db2.gz CALYNJGUHACKMH-UHFFFAOYSA-N 0 3 277.314 3.928 20 10 CHCDHN Cc1ccncc1[C@@H](C)NCc1ccc(N(C)C)c(C)c1 ZINC000772996749 1131877891 /nfs/dbraw/zinc/87/78/91/1131877891.db2.gz GZBXWZWKDMMWRB-OAHLLOKOSA-N 0 3 283.419 3.615 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000712975638 1131959935 /nfs/dbraw/zinc/95/99/35/1131959935.db2.gz WIUOUKNTUFDRDB-DGCLKSJQSA-N 0 3 287.325 3.851 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001140949651 1131969319 /nfs/dbraw/zinc/96/93/19/1131969319.db2.gz HCFCPCLDCGSFGS-KRWDZBQOSA-N 0 3 281.399 3.765 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001140949651 1131969325 /nfs/dbraw/zinc/96/93/25/1131969325.db2.gz HCFCPCLDCGSFGS-KRWDZBQOSA-N 0 3 281.399 3.765 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c([O-])c1 ZINC001140949820 1131969741 /nfs/dbraw/zinc/96/97/41/1131969741.db2.gz MIMLCPGBCAPLGH-QGZVFWFLSA-N 0 3 297.398 3.662 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)c([O-])c1 ZINC001140949820 1131969746 /nfs/dbraw/zinc/96/97/46/1131969746.db2.gz MIMLCPGBCAPLGH-QGZVFWFLSA-N 0 3 297.398 3.662 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001140950978 1131972281 /nfs/dbraw/zinc/97/22/81/1131972281.db2.gz RONZBACKZMTSFY-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001140950978 1131972285 /nfs/dbraw/zinc/97/22/85/1131972285.db2.gz RONZBACKZMTSFY-HNNXBMFYSA-N 0 3 285.362 3.829 20 10 CHCDHN CCC[C@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141028380 1131989698 /nfs/dbraw/zinc/98/96/98/1131989698.db2.gz MPAWEMOPRATVNL-ZDUSSCGKSA-N 0 3 293.407 3.564 20 10 CHCDHN CCC[C@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141028380 1131989701 /nfs/dbraw/zinc/98/97/01/1131989701.db2.gz MPAWEMOPRATVNL-ZDUSSCGKSA-N 0 3 293.407 3.564 20 10 CHCDHN CC[C@@H](NCc1ccc(C)nc1Cl)c1ccccc1O ZINC000838912161 1132157829 /nfs/dbraw/zinc/15/78/29/1132157829.db2.gz DBBYNFDOMLKDKH-CQSZACIVSA-N 0 3 290.794 3.990 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C)nc1Cl)c1ccccc1[O-] ZINC000838912161 1132157832 /nfs/dbraw/zinc/15/78/32/1132157832.db2.gz DBBYNFDOMLKDKH-CQSZACIVSA-N 0 3 290.794 3.990 20 10 CHCDHN CCOc1ccc(C[NH+]2CC3(C2)CCCCC3)c([O-])c1 ZINC000839132306 1132182747 /nfs/dbraw/zinc/18/27/47/1132182747.db2.gz MKNCVAHJRCRDKR-UHFFFAOYSA-N 0 3 275.392 3.557 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193920 1132190110 /nfs/dbraw/zinc/19/01/10/1132190110.db2.gz ZAQUFGRPHNCNOC-IRXDYDNUSA-N 0 3 297.423 3.749 20 10 CHCDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193920 1132190114 /nfs/dbraw/zinc/19/01/14/1132190114.db2.gz ZAQUFGRPHNCNOC-IRXDYDNUSA-N 0 3 297.423 3.749 20 10 CHCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)CCOCC(C)C ZINC001172485278 1132230779 /nfs/dbraw/zinc/23/07/79/1132230779.db2.gz VRAQFZFIQGKPSE-HNNXBMFYSA-N 0 3 279.424 3.665 20 10 CHCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CCOCC(C)C ZINC001172485278 1132230784 /nfs/dbraw/zinc/23/07/84/1132230784.db2.gz VRAQFZFIQGKPSE-HNNXBMFYSA-N 0 3 279.424 3.665 20 10 CHCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172554782 1132265141 /nfs/dbraw/zinc/26/51/41/1132265141.db2.gz DNKGLBMOBLLUFT-GDBMZVCRSA-N 0 3 283.371 3.524 20 10 CHCDHN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000840765545 1132285400 /nfs/dbraw/zinc/28/54/00/1132285400.db2.gz WUPADWCTQPIVCE-RTXFEEFZSA-N 0 3 283.799 3.572 20 10 CHCDHN C[C@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)c1ccccc1[O-] ZINC001172647937 1132288572 /nfs/dbraw/zinc/28/85/72/1132288572.db2.gz PPRNRHXEHWDUNA-LBPRGKRZSA-N 0 3 277.408 3.779 20 10 CHCDHN CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000840847415 1132293322 /nfs/dbraw/zinc/29/33/22/1132293322.db2.gz NGCMSZCYEJFCSS-IRWQIABSSA-N 0 3 297.398 3.664 20 10 CHCDHN Cc1cc(C)c(C[N@@H+]2CCc3cccc([O-])c3C2)cc1C ZINC001231485878 1132299992 /nfs/dbraw/zinc/29/99/92/1132299992.db2.gz OGUYTCFRHYEGET-UHFFFAOYSA-N 0 3 281.399 3.876 20 10 CHCDHN Cc1cc(C)c(C[N@H+]2CCc3cccc([O-])c3C2)cc1C ZINC001231485878 1132299999 /nfs/dbraw/zinc/29/99/99/1132299999.db2.gz OGUYTCFRHYEGET-UHFFFAOYSA-N 0 3 281.399 3.876 20 10 CHCDHN COC1([C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000840882697 1132301850 /nfs/dbraw/zinc/30/18/50/1132301850.db2.gz ACNGYGJQJAAFHN-GMXVVIOVSA-N 0 3 293.382 3.627 20 10 CHCDHN CCN(CCC(F)(F)F)Cc1ccc(N(C)C)cc1C ZINC000840912385 1132308378 /nfs/dbraw/zinc/30/83/78/1132308378.db2.gz GBFDFUWHPAFUSH-UHFFFAOYSA-N 0 3 288.357 3.835 20 10 CHCDHN CCOc1cccc(CN(CC)Cc2occc2C)c1O ZINC000840970789 1132314999 /nfs/dbraw/zinc/31/49/99/1132314999.db2.gz WHYRQTTYBXSADD-UHFFFAOYSA-N 0 3 289.375 3.714 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCc2occc2C1 ZINC001231590845 1132318015 /nfs/dbraw/zinc/31/80/15/1132318015.db2.gz NUTJHIIMKNVENK-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCc2occc2C1 ZINC001231590845 1132318022 /nfs/dbraw/zinc/31/80/22/1132318022.db2.gz NUTJHIIMKNVENK-UHFFFAOYSA-N 0 3 279.339 3.697 20 10 CHCDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C1CC(F)(F)C1 ZINC001231588325 1132319145 /nfs/dbraw/zinc/31/91/45/1132319145.db2.gz PLUYZFCVDXXAKF-UHFFFAOYSA-N 0 3 277.314 3.775 20 10 CHCDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC(F)(F)C1 ZINC001231588325 1132319151 /nfs/dbraw/zinc/31/91/51/1132319151.db2.gz PLUYZFCVDXXAKF-UHFFFAOYSA-N 0 3 277.314 3.775 20 10 CHCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1C[C@H]1c1cccs1 ZINC000841747672 1132390782 /nfs/dbraw/zinc/39/07/82/1132390782.db2.gz RWULLDGBBQDBBN-FPMFFAJLSA-N 0 3 273.401 3.736 20 10 CHCDHN C[C@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232266484 1132447270 /nfs/dbraw/zinc/44/72/70/1132447270.db2.gz UZVKYYMLBPUMQN-UMSPYCQHSA-N 0 3 283.799 3.762 20 10 CHCDHN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232266484 1132447273 /nfs/dbraw/zinc/44/72/73/1132447273.db2.gz UZVKYYMLBPUMQN-UMSPYCQHSA-N 0 3 283.799 3.762 20 10 CHCDHN [O-]c1ccccc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000842747964 1132457993 /nfs/dbraw/zinc/45/79/93/1132457993.db2.gz OAKJEBKXDPHTCN-UHFFFAOYSA-N 0 3 271.335 3.700 20 10 CHCDHN Oc1ccccc1CNC1(c2ccccc2F)CCC1 ZINC000842747964 1132457995 /nfs/dbraw/zinc/45/79/95/1132457995.db2.gz OAKJEBKXDPHTCN-UHFFFAOYSA-N 0 3 271.335 3.700 20 10 CHCDHN CCC[N@H+](Cc1cccc2c1NCC2)Cc1ccccc1[O-] ZINC000843060875 1132495237 /nfs/dbraw/zinc/49/52/37/1132495237.db2.gz QKLJJOZCAASGKF-UHFFFAOYSA-N 0 3 296.414 3.772 20 10 CHCDHN CCC[N@@H+](Cc1cccc2c1NCC2)Cc1ccccc1[O-] ZINC000843060875 1132495241 /nfs/dbraw/zinc/49/52/41/1132495241.db2.gz QKLJJOZCAASGKF-UHFFFAOYSA-N 0 3 296.414 3.772 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC001143253479 1132524998 /nfs/dbraw/zinc/52/49/98/1132524998.db2.gz VPKSRXJCNSTUOI-UHFFFAOYSA-N 0 3 289.325 3.888 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC001143253479 1132525005 /nfs/dbraw/zinc/52/50/05/1132525005.db2.gz VPKSRXJCNSTUOI-UHFFFAOYSA-N 0 3 289.325 3.888 20 10 CHCDHN COc1cc(Cl)cc(C[NH+]2CC3CCC(CC3)C2)c1[O-] ZINC001233290514 1132596806 /nfs/dbraw/zinc/59/68/06/1132596806.db2.gz GWGLDCNPWMBFDV-UHFFFAOYSA-N 0 3 295.810 3.676 20 10 CHCDHN COc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001203629088 1133346059 /nfs/dbraw/zinc/34/60/59/1133346059.db2.gz QSIVXBYBGLFSKS-UHFFFAOYSA-N 0 3 293.382 3.505 20 10 CHCDHN COc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001203629088 1133346067 /nfs/dbraw/zinc/34/60/67/1133346067.db2.gz QSIVXBYBGLFSKS-UHFFFAOYSA-N 0 3 293.382 3.505 20 10 CHCDHN Cc1ccc([C@H]2CCCN2Cc2ccc(O)c(O)c2)cc1 ZINC001203878612 1133378825 /nfs/dbraw/zinc/37/88/25/1133378825.db2.gz IFQJEDJVERABLT-MRXNPFEDSA-N 0 3 283.371 3.743 20 10 CHCDHN CCN(Cc1ccoc1)Cc1ccc(N(C)C)cc1C ZINC001204186490 1133416781 /nfs/dbraw/zinc/41/67/81/1133416781.db2.gz BVPHHXLGLONTOL-UHFFFAOYSA-N 0 3 272.392 3.676 20 10 CHCDHN CCc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204178489 1133417023 /nfs/dbraw/zinc/41/70/23/1133417023.db2.gz UXPNWVIPBBDJKA-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN CCc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001204178489 1133417027 /nfs/dbraw/zinc/41/70/27/1133417027.db2.gz UXPNWVIPBBDJKA-UHFFFAOYSA-N 0 3 267.372 3.513 20 10 CHCDHN CN(C)c1ccc(CN2CCOC(C)(C)C2)c2ccccc21 ZINC001204233002 1133422980 /nfs/dbraw/zinc/42/29/80/1133422980.db2.gz MXNPKRDHTMTTQF-UHFFFAOYSA-N 0 3 298.430 3.517 20 10 CHCDHN Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([O-])c1 ZINC001204347842 1133437800 /nfs/dbraw/zinc/43/78/00/1133437800.db2.gz MIALCTZDMSJLGG-INIZCTEOSA-N 0 3 299.389 3.904 20 10 CHCDHN Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([O-])c1 ZINC001204347842 1133437805 /nfs/dbraw/zinc/43/78/05/1133437805.db2.gz MIALCTZDMSJLGG-INIZCTEOSA-N 0 3 299.389 3.904 20 10 CHCDHN CC(C)c1ccc(O)c(CN2CCO[C@](C)(C3CC3)C2)c1 ZINC001206645014 1133731052 /nfs/dbraw/zinc/73/10/52/1133731052.db2.gz KUVAPHZRNAIEAR-SFHVURJKSA-N 0 3 289.419 3.517 20 10 CHCDHN CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC001207160051 1133773821 /nfs/dbraw/zinc/77/38/21/1133773821.db2.gz NKBBZSUPYLATIM-VBNZEHGJSA-N 0 3 277.408 3.637 20 10 CHCDHN [O-]c1cccc2c1C[N@H+](CCCC1CCCC1)CC2 ZINC001208094657 1133877582 /nfs/dbraw/zinc/87/75/82/1133877582.db2.gz OKXCNRUSCCIXHA-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN [O-]c1cccc2c1C[N@@H+](CCCC1CCCC1)CC2 ZINC001208094657 1133877591 /nfs/dbraw/zinc/87/75/91/1133877591.db2.gz OKXCNRUSCCIXHA-UHFFFAOYSA-N 0 3 259.393 3.721 20 10 CHCDHN CC1=C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC001208179755 1133899628 /nfs/dbraw/zinc/89/96/28/1133899628.db2.gz BZTRLSXBPHQPQB-CABCVRRESA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001208179755 1133899636 /nfs/dbraw/zinc/89/96/36/1133899636.db2.gz BZTRLSXBPHQPQB-CABCVRRESA-N 0 3 259.393 3.816 20 10 CHCDHN CC1=C[C@H](C)[C@@H](C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001208184006 1133900767 /nfs/dbraw/zinc/90/07/67/1133900767.db2.gz ZMQNCEMLDDXNEK-GOEBONIOSA-N 0 3 271.404 3.743 20 10 CHCDHN CC1=C[C@H](C)[C@@H](C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001208184006 1133900768 /nfs/dbraw/zinc/90/07/68/1133900768.db2.gz ZMQNCEMLDDXNEK-GOEBONIOSA-N 0 3 271.404 3.743 20 10 CHCDHN CC(C)O[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000404593849 1134947905 /nfs/dbraw/zinc/94/79/05/1134947905.db2.gz ZHOCXHRHMXBAQA-INIZCTEOSA-N 0 3 299.414 3.935 20 10 CHCDHN CC(C)O[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000404593849 1134947912 /nfs/dbraw/zinc/94/79/12/1134947912.db2.gz ZHOCXHRHMXBAQA-INIZCTEOSA-N 0 3 299.414 3.935 20 10 CHCDHN CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1[O-] ZINC000404770713 1134949180 /nfs/dbraw/zinc/94/91/80/1134949180.db2.gz WJRWMGCCAFSYCY-INIZCTEOSA-N 0 3 284.334 3.644 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccccc1[O-] ZINC000156052603 261112437 /nfs/dbraw/zinc/11/24/37/261112437.db2.gz SMOLYRDZQXHDDK-OCCSQVGLSA-N 0 3 265.397 3.637 20 10 CHCDHN CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1[O-] ZINC000020127750 171013917 /nfs/dbraw/zinc/01/39/17/171013917.db2.gz JXOUXQKIEHEHMX-WFASDCNBSA-N 0 3 256.349 3.589 20 10 CHCDHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)c1cccnc1 ZINC000020127810 171014016 /nfs/dbraw/zinc/01/40/16/171014016.db2.gz CURACHQIEXDXDQ-KCQAQPDRSA-N 0 3 282.387 3.995 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000020146092 171031639 /nfs/dbraw/zinc/03/16/39/171031639.db2.gz DOHUBUUOGCSIPL-GFCCVEGCSA-N 0 3 290.357 3.882 20 10 CHCDHN Cc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000020146033 171032067 /nfs/dbraw/zinc/03/20/67/171032067.db2.gz NAGVPFLPHBOMSF-HNNXBMFYSA-N 0 3 268.404 3.912 20 10 CHCDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000020147751 171035626 /nfs/dbraw/zinc/03/56/26/171035626.db2.gz LYXSJJMRVPINHT-ZDUSSCGKSA-N 0 3 272.367 3.743 20 10 CHCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000020204534 171069358 /nfs/dbraw/zinc/06/93/58/171069358.db2.gz IPDRUEJVNGDUIK-XHDPSFHLSA-N 0 3 287.359 3.722 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000037254115 173065456 /nfs/dbraw/zinc/06/54/56/173065456.db2.gz NRIDADHARZCPOW-AGIUHOORSA-N 0 3 263.381 3.630 20 10 CHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2[O-])s1 ZINC000071408384 176156842 /nfs/dbraw/zinc/15/68/42/176156842.db2.gz VMNSVQRAZPZJPM-GFCCVEGCSA-N 0 3 261.390 3.921 20 10 CHCDHN COc1cccc([C@H](C)NCc2ccc(OC)c(C)c2)c1 ZINC000037771475 260116255 /nfs/dbraw/zinc/11/62/55/260116255.db2.gz XVLDDEODCRHLQH-AWEZNQCLSA-N 0 3 285.387 3.863 20 10 CHCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1OC)c1ccccc1[O-] ZINC000156337293 261120491 /nfs/dbraw/zinc/12/04/91/261120491.db2.gz AEINYWRGINQKFB-MRXNPFEDSA-N 0 3 285.387 3.950 20 10 CHCDHN Cc1cccc(C[NH2+]C2(c3ccccc3)CCC2)c1[O-] ZINC000181327285 261894131 /nfs/dbraw/zinc/89/41/31/261894131.db2.gz FXMLMVSJSGGVAG-UHFFFAOYSA-N 0 3 267.372 3.870 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCOC2CCCC2)c1 ZINC000185240506 262047778 /nfs/dbraw/zinc/04/77/78/262047778.db2.gz YRPVUANDBRPCAP-CQSZACIVSA-N 0 3 277.408 3.701 20 10 CHCDHN CCc1noc(CC)c1CN[C@@H](C)c1ccc(C)cc1O ZINC000185678677 262066153 /nfs/dbraw/zinc/06/61/53/262066153.db2.gz ATUNJCHCDVAUPX-LBPRGKRZSA-N 0 3 288.391 3.664 20 10 CHCDHN COc1cc(C)cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000186156447 262081865 /nfs/dbraw/zinc/08/18/65/262081865.db2.gz JZDKYPJJFOGDDD-GFCCVEGCSA-N 0 3 289.350 3.699 20 10 CHCDHN CSCCCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186775344 262109173 /nfs/dbraw/zinc/10/91/73/262109173.db2.gz DOSLVOFCKMMVIV-NSHDSACASA-N 0 3 271.401 3.715 20 10 CHCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H](SC)C2)c1 ZINC000185483885 262304361 /nfs/dbraw/zinc/30/43/61/262304361.db2.gz QHIBNKLCLCGPRY-OBJOEFQTSA-N 0 3 295.448 3.726 20 10 CHCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000186727332 262322261 /nfs/dbraw/zinc/32/22/61/262322261.db2.gz QHJJXZNQKUQFKX-VXGBXAGGSA-N 0 3 276.405 3.611 20 10 CHCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC000280412320 263061441 /nfs/dbraw/zinc/06/14/41/263061441.db2.gz BCHWWIONSLDALJ-LBPRGKRZSA-N 0 3 299.361 3.706 20 10 CHCDHN CC[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1[O-] ZINC000367604278 267104510 /nfs/dbraw/zinc/10/45/10/267104510.db2.gz ALOLYOGARFBMQF-INIZCTEOSA-N 0 3 296.414 3.950 20 10 CHCDHN Cc1ccoc1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000293756120 328277522 /nfs/dbraw/zinc/27/75/22/328277522.db2.gz RRTVVDKRSKMYCW-ZDUSSCGKSA-N 0 3 259.349 3.761 20 10 CHCDHN Cc1ccoc1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000293756119 328277611 /nfs/dbraw/zinc/27/76/11/328277611.db2.gz RRTVVDKRSKMYCW-CYBMUJFWSA-N 0 3 259.349 3.761 20 10 CHCDHN C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccccc1[O-] ZINC000527969831 330301608 /nfs/dbraw/zinc/30/16/08/330301608.db2.gz RUWQXENOIGXSBL-SCLBCKFNSA-N 0 3 282.387 3.979 20 10 CHCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000529644991 333503245 /nfs/dbraw/zinc/50/32/45/333503245.db2.gz RUIQQZOHUFVMJQ-KRWDZBQOSA-N 0 3 286.350 3.557 20 10 CHCDHN CCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCOCC1 ZINC000273559423 334767144 /nfs/dbraw/zinc/76/71/44/334767144.db2.gz HRGUTXCIQMGDKO-AWEZNQCLSA-N 0 3 277.408 3.558 20 10 CHCDHN CCC[N@H+](CCC(F)(F)F)Cc1ccccc1[O-] ZINC000265800116 521630269 /nfs/dbraw/zinc/63/02/69/521630269.db2.gz BVKFASINRZXRKV-UHFFFAOYSA-N 0 3 261.287 3.557 20 10 CHCDHN CCC[N@@H+](CCC(F)(F)F)Cc1ccccc1[O-] ZINC000265800116 521630272 /nfs/dbraw/zinc/63/02/72/521630272.db2.gz BVKFASINRZXRKV-UHFFFAOYSA-N 0 3 261.287 3.557 20 10 CHCDHN CCOCCCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000279930644 521703343 /nfs/dbraw/zinc/70/33/43/521703343.db2.gz ARNSQFFZYDFONO-HNNXBMFYSA-N 0 3 265.397 3.558 20 10 CHCDHN CC[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280276148 522735537 /nfs/dbraw/zinc/73/55/37/522735537.db2.gz YFHPSYOGWGQRQU-KMFMINBZSA-N 0 3 277.408 3.699 20 10 CHCDHN CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1ccc(C)cc1[O-] ZINC000279977637 522756726 /nfs/dbraw/zinc/75/67/26/522756726.db2.gz DIQNVQYNVFHRMH-QILLFSRXSA-N 0 3 291.435 3.945 20 10 CHCDHN COc1ccc(C)cc1[C@H](C)NCc1cc(C)ccc1O ZINC000071407390 523858935 /nfs/dbraw/zinc/85/89/35/523858935.db2.gz IUQIHBMVDAUUDJ-AWEZNQCLSA-N 0 3 285.387 3.868 20 10 CHCDHN COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616807 524782966 /nfs/dbraw/zinc/78/29/66/524782966.db2.gz HBECQTMPITVVQH-NWDGAFQWSA-N 0 3 289.350 3.952 20 10 CHCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000071406522 525353588 /nfs/dbraw/zinc/35/35/88/525353588.db2.gz XRKMCKLCZSOTES-QGZVFWFLSA-N 0 3 267.372 3.868 20 10 CHCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000291233985 525487700 /nfs/dbraw/zinc/48/77/00/525487700.db2.gz UKWFVBPAEDYNPA-KMFMINBZSA-N 0 3 267.372 3.847 20 10 CHCDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000070869296 525525407 /nfs/dbraw/zinc/52/54/07/525525407.db2.gz ZXJVUBAKBTXNTP-CYBMUJFWSA-N 0 3 299.374 3.512 20 10 CHCDHN C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccccc1[O-] ZINC000036993104 525598184 /nfs/dbraw/zinc/59/81/84/525598184.db2.gz MTBDAUBWCHPXFY-NWDGAFQWSA-N 0 3 261.390 3.736 20 10 CHCDHN Cc1ccc([C@@H](C)NCc2ccc3c(n2)CCCC3)c(O)c1 ZINC000278454418 525734915 /nfs/dbraw/zinc/73/49/15/525734915.db2.gz LVWZEKAKSIZHRL-CQSZACIVSA-N 0 3 296.414 3.825 20 10 CHCDHN COc1cccc(C[NH2+]CC(C)(C)c2cccs2)c1[O-] ZINC000083601788 526011899 /nfs/dbraw/zinc/01/18/99/526011899.db2.gz CJAQVQZPSVFNOQ-UHFFFAOYSA-N 0 3 291.416 3.530 20 10 CHCDHN COc1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000037680360 526031121 /nfs/dbraw/zinc/03/11/21/526031121.db2.gz SICCFRDAAXWHPS-ZDUSSCGKSA-N 0 3 271.360 3.560 20 10 CHCDHN COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000037680268 526036623 /nfs/dbraw/zinc/03/66/23/526036623.db2.gz JTFXOWFCSVMHRE-CYBMUJFWSA-N 0 3 271.360 3.560 20 10 CHCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000036968440 526374604 /nfs/dbraw/zinc/37/46/04/526374604.db2.gz NEORMOCJWRMCGI-CQSZACIVSA-N 0 3 289.375 3.858 20 10 CHCDHN